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 1t34_1_B DATA FIRST_RESID 1 DATA SEQUENCE SDLTVAVVLP LTNTSYPWSW ARVGPAVELA LARVKARPDL LPGWTVRMVL DATA SEQUENCE GSSENAAGVc SDTAAPLAAV DLKWEHSPAV FLGPGcVYSA APVGRFTAHW DATA SEQUENCE RVPLLTAGAP ALGIGVKDEY ALTTRTGPSH VKLGDFVTAL HRRLGWEHQA DATA SEQUENCE LVLYADRLGD DRPcFFIVEG LYMRVRERLN ITVNHQEFVE GDPDHYPKLL DATA SEQUENCE RAVRRKGRVI YIcSSPDAFR NLMLLALNAG LTGEDYVFFH LDVFGQSLKS DATA SEQUENCE AQXXXXQKPW ERGDGQDRSA RQAFQAAKII TYKEPDNPEY LEFLKQLKLL DATA SEQUENCE ADKKFNFTVE DGLKNIIPAS FHDGLLLYVQ AVTETLAQGG TVTDGENITQ DATA SEQUENCE RMWNRSFQGV TGYLKIDRNG DRDTDFSLWD MDPETGAFRV VLNYNGTSQE DATA SEQUENCE LMAVSEHKLY WPLGYPPPDV PKCGF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.622 174.600 0.036 0.000 1.055 1 S CA 0.000 57.938 58.200 -0.437 0.000 1.107 1 S CB 0.000 62.954 63.200 -0.410 0.000 0.593 2 D N 1.605 122.170 120.400 0.275 0.000 2.473 2 D HA 0.344 4.984 4.640 -0.000 0.000 0.253 2 D C -1.519 175.060 176.300 0.465 0.000 1.233 2 D CA -0.100 54.102 54.000 0.337 0.000 0.908 2 D CB 1.903 42.796 40.800 0.155 0.000 1.170 2 D HN 0.262 nan 8.370 nan 0.000 0.558 3 L N 2.828 124.236 121.223 0.309 0.000 2.288 3 L HA 0.222 4.562 4.340 -0.000 0.000 0.283 3 L C -0.104 176.797 176.870 0.051 0.000 1.072 3 L CA -0.114 54.769 54.840 0.071 0.000 0.862 3 L CB 0.487 42.516 42.059 -0.049 0.000 1.245 3 L HN 0.167 nan 8.230 nan 0.000 0.432 4 T N 3.261 117.830 114.554 0.025 0.000 2.851 4 T HA 0.280 4.630 4.350 -0.000 0.000 0.298 4 T C -0.049 174.607 174.700 -0.074 0.000 0.977 4 T CA -0.327 61.754 62.100 -0.031 0.000 1.126 4 T CB 1.383 70.224 68.868 -0.044 0.000 0.916 4 T HN 0.227 nan 8.240 nan 0.000 0.529 5 V N 2.949 122.801 119.914 -0.102 0.000 2.350 5 V HA 0.600 4.720 4.120 -0.000 0.000 0.285 5 V C 0.352 176.309 176.094 -0.228 0.000 1.014 5 V CA -1.096 61.117 62.300 -0.146 0.000 0.831 5 V CB 1.098 32.881 31.823 -0.065 0.000 1.000 5 V HN 1.107 nan 8.190 nan 0.000 0.433 6 A N 5.202 127.766 122.820 -0.427 0.000 2.328 6 A HA 0.740 5.060 4.320 -0.000 0.000 0.284 6 A C -0.412 176.966 177.584 -0.343 0.000 1.160 6 A CA -0.310 51.385 52.037 -0.570 0.000 0.818 6 A CB 0.850 19.012 19.000 -1.396 0.000 1.087 6 A HN 0.663 nan 8.150 nan 0.000 0.504 7 V N 3.509 123.297 119.914 -0.209 0.000 2.409 7 V HA 0.387 4.507 4.120 -0.000 0.000 0.291 7 V C -0.493 175.553 176.094 -0.080 0.000 1.020 7 V CA -0.367 61.851 62.300 -0.136 0.000 0.848 7 V CB 1.618 33.246 31.823 -0.324 0.000 0.990 7 V HN 0.609 nan 8.190 nan 0.000 0.430 8 V N 7.472 127.417 119.914 0.052 0.000 2.289 8 V HA 0.561 4.681 4.120 -0.000 0.000 0.272 8 V C -0.281 175.832 176.094 0.032 0.000 1.026 8 V CA -0.070 62.270 62.300 0.066 0.000 0.807 8 V CB 0.764 32.692 31.823 0.175 0.000 1.044 8 V HN 0.675 nan 8.190 nan 0.000 0.443 9 L N 4.073 125.283 121.223 -0.021 0.000 2.510 9 L HA 0.615 4.954 4.340 -0.000 0.000 0.252 9 L C -2.767 174.130 176.870 0.045 0.000 1.091 9 L CA -2.271 52.593 54.840 0.040 0.000 0.888 9 L CB 3.104 45.215 42.059 0.086 0.000 1.507 9 L HN 0.198 nan 8.230 nan 0.000 0.407 10 P HA 0.182 nan 4.420 nan 0.000 0.273 10 P C 0.245 177.641 177.300 0.159 0.000 1.319 10 P CA 0.123 63.301 63.100 0.131 0.000 0.885 10 P CB 0.195 32.007 31.700 0.187 0.000 1.015 11 L N 2.090 123.374 121.223 0.101 0.000 2.591 11 L HA 0.036 4.376 4.340 -0.000 0.000 0.228 11 L C 1.179 178.144 176.870 0.159 0.000 1.133 11 L CA 0.902 55.815 54.840 0.121 0.000 0.880 11 L CB -0.629 41.422 42.059 -0.014 0.000 1.033 11 L HN 0.384 nan 8.230 nan 0.000 0.450 12 T N -5.822 108.813 114.554 0.135 0.000 3.168 12 T HA 0.056 4.406 4.350 -0.000 0.000 0.261 12 T C 0.832 175.598 174.700 0.109 0.000 0.931 12 T CA -0.368 61.803 62.100 0.118 0.000 0.949 12 T CB 0.053 68.978 68.868 0.095 0.000 1.229 12 T HN -0.007 nan 8.240 nan 0.000 0.504 13 N N 3.121 121.899 118.700 0.130 0.000 2.497 13 N HA 0.155 4.895 4.740 -0.000 0.000 0.271 13 N C 0.411 175.970 175.510 0.082 0.000 1.142 13 N CA 0.604 53.726 53.050 0.121 0.000 0.965 13 N CB 1.536 40.147 38.487 0.206 0.000 1.077 13 N HN 0.496 nan 8.380 nan 0.000 0.462 14 T N -0.919 113.638 114.554 0.006 0.000 3.215 14 T HA 0.072 4.422 4.350 -0.000 0.000 0.271 14 T C 1.192 175.820 174.700 -0.119 0.000 1.012 14 T CA -0.117 61.924 62.100 -0.099 0.000 0.899 14 T CB -0.464 68.316 68.868 -0.147 0.000 1.089 14 T HN 0.366 nan 8.240 nan 0.000 0.552 15 S N -0.389 115.188 115.700 -0.204 0.000 2.528 15 S HA 0.236 4.706 4.470 -0.000 0.000 0.219 15 S C 0.059 174.371 174.600 -0.480 0.000 0.985 15 S CA -0.563 57.435 58.200 -0.336 0.000 0.914 15 S CB -0.689 62.240 63.200 -0.451 0.000 0.776 15 S HN 0.620 nan 8.310 nan 0.000 0.526 16 Y N 1.728 121.815 120.300 -0.355 0.000 2.310 16 Y HA 0.429 4.979 4.550 -0.000 0.000 0.326 16 Y C -1.841 173.602 175.900 -0.762 0.000 1.151 16 Y CA -2.570 55.093 58.100 -0.728 0.000 1.195 16 Y CB 0.702 38.616 38.460 -0.910 0.000 1.210 16 Y HN -0.008 nan 8.280 nan 0.000 0.483 17 P HA -0.133 nan 4.420 nan 0.000 0.228 17 P C -0.113 177.085 177.300 -0.170 0.000 1.151 17 P CA 1.300 64.141 63.100 -0.432 0.000 0.770 17 P CB -0.099 31.326 31.700 -0.457 0.000 0.786 18 W N -2.772 118.575 121.300 0.079 0.000 2.818 18 W HA 0.514 5.174 4.660 -0.000 0.000 0.403 18 W C -0.206 176.286 176.519 -0.044 0.000 0.991 18 W CA -0.591 56.758 57.345 0.008 0.000 1.925 18 W CB -1.323 28.194 29.460 0.096 0.000 1.166 18 W HN -0.376 nan 8.180 nan 0.000 0.605 19 S N 1.298 116.972 115.700 -0.044 0.000 2.566 19 S HA -0.143 4.327 4.470 -0.000 0.000 0.280 19 S C 0.902 175.511 174.600 0.014 0.000 1.343 19 S CA -0.298 57.912 58.200 0.017 0.000 1.036 19 S CB 0.644 63.781 63.200 -0.105 0.000 0.866 19 S HN 0.505 nan 8.310 nan 0.000 0.526 20 W N 1.792 123.017 121.300 -0.124 0.000 2.465 20 W HA -0.134 4.526 4.660 -0.000 0.000 0.268 20 W C 1.912 178.290 176.519 -0.235 0.000 1.242 20 W CA 0.828 58.093 57.345 -0.133 0.000 1.248 20 W CB -0.195 29.262 29.460 -0.005 0.000 1.118 20 W HN 0.877 nan 8.180 nan 0.000 0.587 21 A N 0.608 123.252 122.820 -0.294 0.000 1.969 21 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 21 A C 2.019 179.167 177.584 -0.726 0.000 1.169 21 A CA 1.358 53.072 52.037 -0.538 0.000 0.635 21 A CB -0.605 17.914 19.000 -0.803 0.000 0.810 21 A HN 0.306 nan 8.150 nan 0.000 0.445 22 R N -1.475 118.658 120.500 -0.611 0.000 2.175 22 R HA 0.138 4.478 4.340 -0.000 0.000 0.202 22 R C 1.694 177.745 176.300 -0.415 0.000 1.018 22 R CA 0.904 56.743 56.100 -0.434 0.000 1.029 22 R CB 0.159 30.291 30.300 -0.280 0.000 0.959 22 R HN 0.362 nan 8.270 nan 0.000 0.480 23 V N -0.620 119.008 119.914 -0.475 0.000 2.685 23 V HA 0.046 4.166 4.120 -0.000 0.000 0.244 23 V C 2.162 177.792 176.094 -0.774 0.000 1.054 23 V CA 1.490 63.519 62.300 -0.451 0.000 1.076 23 V CB 0.173 31.745 31.823 -0.418 0.000 0.725 23 V HN 0.473 nan 8.190 nan 0.000 0.467 24 G N 2.025 109.918 108.800 -1.512 0.000 2.514 24 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.217 24 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.217 24 G C 0.088 174.178 174.900 -1.350 0.000 1.198 24 G CA 1.437 45.121 45.100 -2.360 0.000 0.780 24 G HN 0.525 nan 8.290 nan 0.000 0.565 25 P HA -0.117 nan 4.420 nan 0.000 0.215 25 P C 2.106 179.202 177.300 -0.341 0.000 1.157 25 P CA 2.277 64.906 63.100 -0.784 0.000 0.868 25 P CB -0.314 30.945 31.700 -0.734 0.000 0.788 26 A N -0.203 122.433 122.820 -0.306 0.000 1.940 26 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 26 A C 2.522 180.224 177.584 0.196 0.000 1.176 26 A CA 1.916 53.978 52.037 0.042 0.000 0.631 26 A CB -1.689 17.457 19.000 0.243 0.000 0.814 26 A HN 0.086 nan 8.150 nan 0.000 0.446 27 V N -0.422 119.507 119.914 0.024 0.000 2.358 27 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 27 V C 2.453 178.626 176.094 0.132 0.000 1.047 27 V CA 2.229 64.601 62.300 0.120 0.000 1.035 27 V CB -0.630 31.270 31.823 0.128 0.000 0.658 27 V HN 0.727 nan 8.190 nan 0.000 0.452 28 E N -0.084 120.164 120.200 0.081 0.000 2.118 28 E HA -0.219 4.130 4.350 -0.000 0.000 0.195 28 E C 2.211 178.890 176.600 0.132 0.000 0.992 28 E CA 1.252 57.729 56.400 0.129 0.000 0.804 28 E CB -0.130 29.669 29.700 0.165 0.000 0.741 28 E HN 0.519 nan 8.360 nan 0.000 0.458 29 L N -0.157 121.153 121.223 0.145 0.000 2.131 29 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 29 L C 2.462 179.498 176.870 0.277 0.000 1.092 29 L CA 0.921 55.880 54.840 0.199 0.000 0.759 29 L CB -0.359 41.818 42.059 0.196 0.000 0.903 29 L HN 0.230 nan 8.230 nan 0.000 0.435 30 A N -0.047 122.932 122.820 0.265 0.000 1.897 30 A HA -0.102 4.218 4.320 -0.000 0.000 0.215 30 A C 2.194 179.815 177.584 0.061 0.000 1.181 30 A CA 0.941 53.003 52.037 0.041 0.000 0.620 30 A CB -0.485 18.453 19.000 -0.103 0.000 0.821 30 A HN 0.311 nan 8.150 nan 0.000 0.443 31 L N -0.683 120.598 121.223 0.097 0.000 2.046 31 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 31 L C 3.126 180.050 176.870 0.089 0.000 1.077 31 L CA 1.158 56.053 54.840 0.092 0.000 0.747 31 L CB -0.764 41.358 42.059 0.106 0.000 0.896 31 L HN 0.464 nan 8.230 nan 0.000 0.432 32 A N -0.046 122.833 122.820 0.099 0.000 1.865 32 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 32 A C 2.468 180.105 177.584 0.089 0.000 1.191 32 A CA 1.566 53.657 52.037 0.089 0.000 0.623 32 A CB -0.636 18.418 19.000 0.091 0.000 0.826 32 A HN 0.254 nan 8.150 nan 0.000 0.444 33 R N -0.192 120.372 120.500 0.108 0.000 2.127 33 R HA -0.115 4.225 4.340 -0.000 0.000 0.238 33 R C 2.024 178.373 176.300 0.082 0.000 1.134 33 R CA 1.730 57.893 56.100 0.106 0.000 0.975 33 R CB -0.616 29.771 30.300 0.144 0.000 0.865 33 R HN 0.387 nan 8.270 nan 0.000 0.447 34 V N 1.126 121.084 119.914 0.074 0.000 2.237 34 V HA -0.247 3.873 4.120 -0.000 0.000 0.245 34 V C 2.397 178.531 176.094 0.067 0.000 1.046 34 V CA 1.801 64.142 62.300 0.067 0.000 1.007 34 V CB -0.457 31.406 31.823 0.065 0.000 0.638 34 V HN 0.340 nan 8.190 nan 0.000 0.445 35 K N -0.354 120.087 120.400 0.068 0.000 2.293 35 K HA -0.199 4.121 4.320 -0.000 0.000 0.204 35 K C 1.878 178.511 176.600 0.055 0.000 1.045 35 K CA 1.449 57.773 56.287 0.062 0.000 0.933 35 K CB -0.225 32.310 32.500 0.059 0.000 0.736 35 K HN 0.520 nan 8.250 nan 0.000 0.463 36 A N 0.449 123.303 122.820 0.057 0.000 2.195 36 A HA 0.066 4.386 4.320 -0.000 0.000 0.210 36 A C 0.535 178.148 177.584 0.049 0.000 1.165 36 A CA 0.083 52.150 52.037 0.051 0.000 0.806 36 A CB 0.223 19.255 19.000 0.053 0.000 0.847 36 A HN 0.077 nan 8.150 nan 0.000 0.482 37 R N 0.271 120.803 120.500 0.053 0.000 2.215 37 R HA 0.323 4.663 4.340 -0.000 0.000 0.336 37 R C -2.159 174.169 176.300 0.048 0.000 0.996 37 R CA -1.813 54.316 56.100 0.050 0.000 0.847 37 R CB 1.071 31.404 30.300 0.055 0.000 1.127 37 R HN 0.075 nan 8.270 nan 0.000 0.465 38 P HA -0.131 nan 4.420 nan 0.000 0.226 38 P C 0.292 177.617 177.300 0.042 0.000 1.153 38 P CA 0.887 64.011 63.100 0.041 0.000 0.777 38 P CB 0.248 31.968 31.700 0.033 0.000 0.794 39 D N -0.879 119.545 120.400 0.041 0.000 2.363 39 D HA -0.043 4.597 4.640 -0.000 0.000 0.226 39 D C 0.247 176.572 176.300 0.041 0.000 1.020 39 D CA 0.399 54.423 54.000 0.039 0.000 0.892 39 D CB -0.188 40.634 40.800 0.036 0.000 0.900 39 D HN 0.209 nan 8.370 nan 0.000 0.531 40 L N 0.709 121.960 121.223 0.046 0.000 2.341 40 L HA 0.333 4.673 4.340 -0.000 0.000 0.278 40 L C 0.333 177.235 176.870 0.054 0.000 1.005 40 L CA -1.064 53.800 54.840 0.041 0.000 0.818 40 L CB 2.120 44.205 42.059 0.044 0.000 1.259 40 L HN -0.143 nan 8.230 nan 0.000 0.418 41 L N 2.902 124.153 121.223 0.046 0.000 3.760 41 L HA -0.175 4.165 4.340 -0.000 0.000 0.604 41 L C -2.215 174.757 176.870 0.171 0.000 1.108 41 L CA -0.668 54.236 54.840 0.108 0.000 0.941 41 L CB -1.296 40.826 42.059 0.105 0.000 1.244 41 L HN 0.486 nan 8.230 nan 0.000 0.789 42 P HA 0.170 nan 4.420 nan 0.000 0.265 42 P C 1.081 178.461 177.300 0.133 0.000 1.222 42 P CA 1.286 64.457 63.100 0.118 0.000 0.767 42 P CB 1.080 32.832 31.700 0.087 0.000 0.801 43 G N 1.143 109.982 108.800 0.066 0.000 2.143 43 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.248 43 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.248 43 G C -0.558 174.273 174.900 -0.116 0.000 0.991 43 G CA -0.551 44.522 45.100 -0.044 0.000 0.689 43 G HN 0.415 nan 8.290 nan 0.000 0.522 44 W N -0.631 120.669 121.300 -0.001 0.000 2.761 44 W HA 0.669 5.329 4.660 0.000 0.000 0.340 44 W C 0.022 176.545 176.519 0.007 0.000 1.072 44 W CA -0.618 56.727 57.345 0.001 0.000 1.215 44 W CB 2.141 31.599 29.460 -0.002 0.000 1.420 44 W HN 0.067 nan 8.180 nan 0.000 0.519 45 T N 2.287 117.028 114.554 0.312 0.000 2.840 45 T HA 0.322 4.672 4.350 -0.000 0.000 0.287 45 T C -0.687 174.123 174.700 0.184 0.000 0.991 45 T CA -0.629 61.583 62.100 0.186 0.000 0.964 45 T CB 0.934 69.865 68.868 0.105 0.000 0.954 45 T HN 0.079 nan 8.240 nan 0.000 0.438 46 V N 5.249 125.246 119.914 0.137 0.000 2.521 46 V HA 0.347 4.467 4.120 -0.000 0.000 0.286 46 V C 0.459 176.598 176.094 0.074 0.000 1.034 46 V CA -0.208 62.154 62.300 0.104 0.000 1.045 46 V CB 0.182 32.061 31.823 0.093 0.000 0.974 46 V HN 0.600 nan 8.190 nan 0.000 0.480 47 R N 4.444 124.973 120.500 0.050 0.000 2.832 47 R HA 0.704 5.044 4.340 -0.000 0.000 0.271 47 R C -0.669 175.618 176.300 -0.022 0.000 0.996 47 R CA -0.868 55.237 56.100 0.009 0.000 0.977 47 R CB 1.805 32.096 30.300 -0.015 0.000 1.168 47 R HN 0.628 nan 8.270 nan 0.000 0.482 48 M N 1.942 121.517 119.600 -0.040 0.000 2.263 48 M HA 0.344 4.824 4.480 -0.000 0.000 0.295 48 M C -0.827 175.399 176.300 -0.124 0.000 1.028 48 M CA -1.048 54.220 55.300 -0.053 0.000 0.921 48 M CB 2.346 34.973 32.600 0.045 0.000 1.601 48 M HN 0.344 nan 8.290 nan 0.000 0.440 49 V N 2.377 122.180 119.914 -0.185 0.000 2.581 49 V HA 0.725 4.845 4.120 -0.000 0.000 0.303 49 V C -0.806 175.181 176.094 -0.179 0.000 1.041 49 V CA -0.842 61.333 62.300 -0.209 0.000 0.907 49 V CB 1.913 33.554 31.823 -0.302 0.000 0.994 49 V HN 0.790 nan 8.190 nan 0.000 0.442 50 L N 3.645 124.769 121.223 -0.165 0.000 2.346 50 L HA 0.942 5.282 4.340 -0.000 0.000 0.276 50 L C 0.422 177.210 176.870 -0.137 0.000 1.006 50 L CA -0.419 54.272 54.840 -0.248 0.000 0.817 50 L CB 1.887 43.730 42.059 -0.360 0.000 1.272 50 L HN 0.976 nan 8.230 nan 0.000 0.421 51 G N 0.503 109.223 108.800 -0.134 0.000 2.638 51 G HA2 0.454 4.414 3.960 -0.000 0.000 0.302 51 G HA3 0.454 4.414 3.960 -0.000 0.000 0.302 51 G C -1.453 173.413 174.900 -0.057 0.000 1.365 51 G CA -0.319 44.757 45.100 -0.040 0.000 0.987 51 G HN 0.403 nan 8.290 nan 0.000 0.495 52 S N -0.448 115.241 115.700 -0.019 0.000 2.537 52 S HA 0.421 4.891 4.470 -0.000 0.000 0.275 52 S C 1.503 176.118 174.600 0.025 0.000 1.272 52 S CA -0.009 58.188 58.200 -0.005 0.000 1.050 52 S CB 1.043 64.253 63.200 0.015 0.000 0.961 52 S HN 0.991 nan 8.310 nan 0.000 0.496 53 S N 2.464 118.179 115.700 0.025 0.000 2.575 53 S HA 0.110 4.580 4.470 -0.000 0.000 0.215 53 S C 0.341 174.961 174.600 0.034 0.000 0.966 53 S CA -0.455 57.761 58.200 0.026 0.000 0.911 53 S CB -0.311 62.893 63.200 0.007 0.000 0.780 53 S HN 0.840 nan 8.310 nan 0.000 0.514 54 E N 2.153 122.384 120.200 0.051 0.000 2.277 54 E HA 0.427 4.777 4.350 -0.000 0.000 0.274 54 E C -0.409 176.232 176.600 0.068 0.000 1.022 54 E CA -1.084 55.360 56.400 0.073 0.000 0.853 54 E CB 0.485 30.252 29.700 0.112 0.000 1.086 54 E HN 0.356 nan 8.360 nan 0.000 0.397 55 N N 1.401 120.144 118.700 0.072 0.000 2.431 55 N HA 0.146 4.886 4.740 -0.000 0.000 0.289 55 N C 0.828 176.376 175.510 0.062 0.000 1.277 55 N CA -0.001 53.085 53.050 0.061 0.000 0.972 55 N CB -0.063 38.458 38.487 0.055 0.000 1.143 55 N HN 0.574 nan 8.380 nan 0.000 0.578 56 A N -0.636 122.215 122.820 0.052 0.000 1.940 56 A HA -0.052 4.268 4.320 -0.000 0.000 0.219 56 A C 2.080 179.695 177.584 0.052 0.000 1.176 56 A CA 2.323 54.389 52.037 0.048 0.000 0.631 56 A CB -1.620 17.404 19.000 0.040 0.000 0.814 56 A HN 0.873 nan 8.150 nan 0.000 0.446 57 A N -2.029 120.824 122.820 0.055 0.000 2.172 57 A HA 0.332 4.652 4.320 -0.000 0.000 0.216 57 A C 2.032 179.659 177.584 0.072 0.000 1.154 57 A CA 1.460 53.532 52.037 0.057 0.000 0.701 57 A CB -0.993 18.041 19.000 0.057 0.000 0.789 57 A HN 1.977 nan 8.150 nan 0.000 0.465 58 G N -1.913 106.938 108.800 0.086 0.000 2.176 58 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.253 58 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.253 58 G C 0.330 175.331 174.900 0.167 0.000 0.979 58 G CA 0.462 45.627 45.100 0.108 0.000 0.641 58 G HN 1.599 nan 8.290 nan 0.000 0.530 59 V N -0.729 119.289 119.914 0.172 0.000 2.612 59 V HA 0.685 4.805 4.120 -0.000 0.000 0.301 59 V C 1.506 177.720 176.094 0.200 0.000 1.046 59 V CA -1.327 61.132 62.300 0.265 0.000 0.946 59 V CB 1.010 32.970 31.823 0.228 0.000 1.003 59 V HN 1.291 nan 8.190 nan 0.000 0.459 60 c N 2.813 121.517 118.600 0.173 0.000 2.633 60 c HA 0.627 5.197 4.570 -0.000 0.000 0.415 60 c C 0.801 174.935 174.090 0.073 0.000 1.393 60 c CA 0.260 56.605 56.329 0.026 0.000 1.700 60 c CB -1.360 41.046 42.510 -0.174 0.000 2.541 60 c HN 1.447 nan 8.230 nan 0.000 0.603 61 S N 1.943 117.675 115.700 0.053 0.000 2.599 61 S HA 0.485 4.955 4.470 -0.000 0.000 0.294 61 S C 0.619 175.240 174.600 0.035 0.000 1.094 61 S CA -0.204 58.027 58.200 0.052 0.000 0.931 61 S CB 1.504 64.732 63.200 0.046 0.000 1.093 61 S HN 0.839 nan 8.310 nan 0.000 0.488 62 D N 1.149 121.569 120.400 0.033 0.000 2.378 62 D HA -0.036 4.604 4.640 -0.000 0.000 0.227 62 D C 0.745 177.043 176.300 -0.002 0.000 1.012 62 D CA 0.761 54.772 54.000 0.019 0.000 0.905 62 D CB -0.215 40.600 40.800 0.024 0.000 0.895 62 D HN 0.558 nan 8.370 nan 0.000 0.532 63 T N 0.366 114.928 114.554 0.013 0.000 3.087 63 T HA 0.221 4.571 4.350 -0.000 0.000 0.237 63 T C 2.207 176.931 174.700 0.039 0.000 0.990 63 T CA 0.627 62.742 62.100 0.026 0.000 1.160 63 T CB 0.023 68.909 68.868 0.030 0.000 0.923 63 T HN 0.227 nan 8.240 nan 0.000 0.442 64 A N 1.811 124.655 122.820 0.040 0.000 1.898 64 A HA 0.297 4.617 4.320 -0.000 0.000 0.216 64 A C 2.578 180.192 177.584 0.051 0.000 1.181 64 A CA 1.765 53.832 52.037 0.051 0.000 0.620 64 A CB -1.186 17.844 19.000 0.049 0.000 0.819 64 A HN 0.478 nan 8.150 nan 0.000 0.442 65 A N 0.611 123.446 122.820 0.026 0.000 1.859 65 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 65 A C 0.476 178.070 177.584 0.017 0.000 1.198 65 A CA 2.029 54.073 52.037 0.012 0.000 0.629 65 A CB -1.754 17.227 19.000 -0.031 0.000 0.830 65 A HN 0.497 nan 8.150 nan 0.000 0.446 66 P HA -0.131 nan 4.420 nan 0.000 0.216 66 P C 1.703 179.130 177.300 0.211 0.000 1.153 66 P CA 1.015 64.090 63.100 -0.043 0.000 0.848 66 P CB -0.240 31.322 31.700 -0.229 0.000 0.787 67 L N -0.419 120.909 121.223 0.175 0.000 2.012 67 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 67 L C 2.768 179.758 176.870 0.200 0.000 1.073 67 L CA 1.847 56.804 54.840 0.194 0.000 0.748 67 L CB -1.198 40.939 42.059 0.131 0.000 0.891 67 L HN -0.037 nan 8.230 nan 0.000 0.431 68 A N -0.261 122.658 122.820 0.166 0.000 1.972 68 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 68 A C 2.513 180.257 177.584 0.268 0.000 1.169 68 A CA 1.613 53.754 52.037 0.172 0.000 0.635 68 A CB -0.618 18.459 19.000 0.128 0.000 0.810 68 A HN 0.436 nan 8.150 nan 0.000 0.446 69 A N -0.305 122.706 122.820 0.319 0.000 1.883 69 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 69 A C 2.215 180.154 177.584 0.592 0.000 1.186 69 A CA 1.995 54.316 52.037 0.473 0.000 0.624 69 A CB -1.032 18.137 19.000 0.281 0.000 0.822 69 A HN 0.491 nan 8.150 nan 0.000 0.444 70 V N 0.626 120.864 119.914 0.540 0.000 2.343 70 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 70 V C 2.134 178.369 176.094 0.235 0.000 1.051 70 V CA 2.121 64.666 62.300 0.408 0.000 1.036 70 V CB -0.946 31.082 31.823 0.341 0.000 0.654 70 V HN 0.473 nan 8.190 nan 0.000 0.451 71 D N 0.579 121.111 120.400 0.220 0.000 2.104 71 D HA -0.150 4.490 4.640 -0.000 0.000 0.194 71 D C 2.100 178.450 176.300 0.084 0.000 0.994 71 D CA 1.404 55.494 54.000 0.151 0.000 0.830 71 D CB -0.251 40.618 40.800 0.115 0.000 0.959 71 D HN 0.369 nan 8.370 nan 0.000 0.452 72 L N 0.264 121.576 121.223 0.147 0.000 2.275 72 L HA -0.128 4.212 4.340 -0.000 0.000 0.215 72 L C 2.303 179.217 176.870 0.075 0.000 1.119 72 L CA 0.682 55.587 54.840 0.109 0.000 0.790 72 L CB -0.205 41.961 42.059 0.177 0.000 0.919 72 L HN -0.042 nan 8.230 nan 0.000 0.443 73 K N 0.152 120.611 120.400 0.099 0.000 2.062 73 K HA -0.209 4.111 4.320 -0.000 0.000 0.205 73 K C 2.056 178.638 176.600 -0.031 0.000 1.051 73 K CA 1.303 57.538 56.287 -0.087 0.000 0.941 73 K CB -0.356 31.805 32.500 -0.565 0.000 0.719 73 K HN 0.425 nan 8.250 nan 0.000 0.440 74 W N 0.947 122.141 121.300 -0.178 0.000 2.453 74 W HA -0.064 4.596 4.660 0.000 0.000 0.289 74 W C 1.485 177.902 176.519 -0.171 0.000 1.215 74 W CA 0.991 58.241 57.345 -0.159 0.000 1.297 74 W CB 0.223 29.610 29.460 -0.121 0.000 1.113 74 W HN 0.226 nan 8.180 nan 0.000 0.551 75 E N -1.094 118.796 120.200 -0.517 0.000 2.158 75 E HA -0.189 4.161 4.350 -0.000 0.000 0.191 75 E C 1.472 177.597 176.600 -0.793 0.000 0.982 75 E CA 1.004 56.879 56.400 -0.875 0.000 0.823 75 E CB -0.045 29.116 29.700 -0.899 0.000 0.766 75 E HN 0.303 nan 8.360 nan 0.000 0.468 76 H N -1.447 117.507 119.070 -0.193 0.000 3.255 76 H HA 0.252 4.808 4.556 -0.000 0.000 0.256 76 H C 0.112 175.374 175.328 -0.110 0.000 1.049 76 H CA 0.463 56.422 56.048 -0.149 0.000 1.202 76 H CB 1.059 30.743 29.762 -0.130 0.000 1.497 76 H HN -0.078 nan 8.280 nan 0.000 0.503 77 S N 1.947 117.641 115.700 -0.009 0.000 3.608 77 S HA -0.103 4.367 4.470 -0.000 0.000 0.382 77 S C -2.269 172.340 174.600 0.015 0.000 0.945 77 S CA 0.189 58.387 58.200 -0.003 0.000 1.256 77 S CB -1.007 62.194 63.200 0.001 0.000 0.913 77 S HN 0.456 nan 8.310 nan 0.000 0.518 78 P HA 0.423 nan 4.420 nan 0.000 0.272 78 P C 0.669 177.980 177.300 0.018 0.000 1.240 78 P CA -0.105 62.966 63.100 -0.048 0.000 0.791 78 P CB 0.851 32.404 31.700 -0.244 0.000 0.978 79 A N 0.946 123.767 122.820 0.003 0.000 2.115 79 A HA 0.302 4.622 4.320 -0.000 0.000 0.211 79 A C 0.703 178.335 177.584 0.079 0.000 1.169 79 A CA 0.586 52.653 52.037 0.050 0.000 0.787 79 A CB 0.083 19.098 19.000 0.025 0.000 0.858 79 A HN 0.424 nan 8.150 nan 0.000 0.474 80 V N -1.057 118.852 119.914 -0.009 0.000 3.048 80 V HA 0.610 4.730 4.120 -0.000 0.000 0.303 80 V C -2.174 173.866 176.094 -0.090 0.000 1.214 80 V CA -0.967 61.295 62.300 -0.062 0.000 0.984 80 V CB 2.070 33.636 31.823 -0.428 0.000 1.054 80 V HN 0.221 nan 8.190 nan 0.000 0.430 81 F N 4.707 124.628 119.950 -0.049 0.000 2.469 81 F HA 0.719 5.246 4.527 0.000 0.000 0.332 81 F C -0.326 175.462 175.800 -0.021 0.000 1.103 81 F CA -0.573 57.430 58.000 0.005 0.000 0.979 81 F CB 1.990 41.034 39.000 0.074 0.000 1.137 81 F HN 0.321 nan 8.300 nan 0.000 0.463 82 L N 3.334 124.658 121.223 0.170 0.000 2.294 82 L HA 0.782 5.122 4.340 -0.000 0.000 0.283 82 L C 0.044 177.101 176.870 0.311 0.000 1.015 82 L CA 0.194 55.169 54.840 0.225 0.000 0.831 82 L CB 0.736 42.934 42.059 0.231 0.000 1.217 82 L HN 0.788 nan 8.230 nan 0.000 0.420 83 G N 4.484 113.476 108.800 0.321 0.000 2.685 83 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.387 83 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.387 83 G C -3.095 171.865 174.900 0.099 0.000 1.324 83 G CA -0.784 44.475 45.100 0.266 0.000 0.878 83 G HN 0.478 nan 8.290 nan 0.000 0.527 84 P HA 0.459 nan 4.420 nan 0.000 0.289 84 P C 0.995 178.153 177.300 -0.237 0.000 1.299 84 P CA 0.754 63.810 63.100 -0.073 0.000 0.766 84 P CB 0.687 32.312 31.700 -0.125 0.000 1.226 85 G N -1.747 106.703 108.800 -0.583 0.000 2.784 85 G HA2 0.019 3.979 3.960 -0.000 0.000 0.208 85 G HA3 0.019 3.979 3.960 -0.000 0.000 0.208 85 G C 0.003 174.006 174.900 -1.494 0.000 1.120 85 G CA 0.276 44.642 45.100 -1.224 0.000 0.774 85 G HN 0.474 nan 8.290 nan 0.000 0.528 86 c N 1.207 119.245 118.600 -0.937 0.000 2.644 86 c HA 0.255 4.825 4.570 -0.000 0.000 0.417 86 c C 2.244 176.136 174.090 -0.330 0.000 1.304 86 c CA -0.589 55.507 56.329 -0.389 0.000 2.035 86 c CB 1.190 43.665 42.510 -0.059 0.000 2.673 86 c HN 0.231 nan 8.230 nan 0.000 0.602 87 V N 2.485 122.233 119.914 -0.276 0.000 2.255 87 V HA -0.230 3.890 4.120 -0.000 0.000 0.247 87 V C 1.579 177.448 176.094 -0.375 0.000 1.051 87 V CA 2.087 64.113 62.300 -0.457 0.000 1.018 87 V CB -0.828 30.513 31.823 -0.802 0.000 0.641 87 V HN 0.968 nan 8.190 nan 0.000 0.445 88 Y N -0.632 119.615 120.300 -0.088 0.000 2.616 88 Y HA -0.059 4.491 4.550 -0.000 0.000 0.296 88 Y C 2.652 178.501 175.900 -0.085 0.000 1.154 88 Y CA 1.017 59.091 58.100 -0.044 0.000 1.325 88 Y CB 0.056 38.542 38.460 0.044 0.000 1.007 88 Y HN 0.145 nan 8.280 nan 0.000 0.542 89 S N -0.917 114.779 115.700 -0.007 0.000 2.441 89 S HA 0.044 4.514 4.470 -0.000 0.000 0.224 89 S C 2.216 176.733 174.600 -0.137 0.000 1.043 89 S CA 0.696 58.859 58.200 -0.061 0.000 0.948 89 S CB -0.143 63.011 63.200 -0.077 0.000 0.810 89 S HN 0.452 nan 8.310 nan 0.000 0.504 90 A N 1.443 124.147 122.820 -0.195 0.000 1.930 90 A HA 0.336 4.656 4.320 -0.000 0.000 0.215 90 A C 2.241 179.705 177.584 -0.199 0.000 1.176 90 A CA 1.417 53.322 52.037 -0.220 0.000 0.632 90 A CB -0.983 17.843 19.000 -0.289 0.000 0.819 90 A HN 0.492 nan 8.150 nan 0.000 0.445 91 A N 0.969 123.672 122.820 -0.195 0.000 1.849 91 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 91 A C 0.434 177.991 177.584 -0.046 0.000 1.202 91 A CA 2.084 54.075 52.037 -0.078 0.000 0.629 91 A CB -1.777 17.175 19.000 -0.081 0.000 0.834 91 A HN 0.489 nan 8.150 nan 0.000 0.447 92 P HA -0.073 nan 4.420 nan 0.000 0.217 92 P C 1.612 178.471 177.300 -0.737 0.000 1.150 92 P CA 1.479 64.300 63.100 -0.465 0.000 0.832 92 P CB -0.259 31.150 31.700 -0.485 0.000 0.787 93 V N 0.707 120.316 119.914 -0.509 0.000 2.358 93 V HA -0.119 4.001 4.120 -0.000 0.000 0.246 93 V C 2.861 178.734 176.094 -0.369 0.000 1.047 93 V CA 2.431 64.441 62.300 -0.484 0.000 1.035 93 V CB -1.908 29.746 31.823 -0.283 0.000 0.658 93 V HN 0.165 nan 8.190 nan 0.000 0.452 94 G N -0.905 107.784 108.800 -0.186 0.000 2.471 94 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.219 94 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.219 94 G C 1.759 176.614 174.900 -0.075 0.000 1.125 94 G CA 0.589 45.672 45.100 -0.028 0.000 0.775 94 G HN 0.403 nan 8.290 nan 0.000 0.548 95 R N -0.773 119.615 120.500 -0.187 0.000 2.080 95 R HA 0.195 4.535 4.340 -0.000 0.000 0.222 95 R C 2.233 178.425 176.300 -0.180 0.000 1.107 95 R CA 0.388 56.334 56.100 -0.258 0.000 0.980 95 R CB -0.251 29.890 30.300 -0.265 0.000 0.879 95 R HN 0.456 nan 8.270 nan 0.000 0.439 96 F N 0.284 119.912 119.950 -0.537 0.000 2.069 96 F HA -0.266 4.261 4.527 -0.000 0.000 0.298 96 F C 2.725 177.822 175.800 -1.172 0.000 1.113 96 F CA 1.304 58.712 58.000 -0.987 0.000 1.214 96 F CB -0.562 37.671 39.000 -1.278 0.000 0.978 96 F HN 0.246 nan 8.300 nan 0.000 0.474 97 T N -1.381 112.803 114.554 -0.617 0.000 2.803 97 T HA -0.160 4.190 4.350 -0.000 0.000 0.269 97 T C 1.855 176.511 174.700 -0.072 0.000 1.052 97 T CA 0.937 62.888 62.100 -0.248 0.000 1.136 97 T CB -0.649 68.124 68.868 -0.158 0.000 0.864 97 T HN 0.244 nan 8.240 nan 0.000 0.467 98 A N 1.270 124.023 122.820 -0.111 0.000 1.930 98 A HA -0.078 4.241 4.320 -0.000 0.000 0.217 98 A C 2.201 179.769 177.584 -0.026 0.000 1.175 98 A CA 1.952 53.959 52.037 -0.051 0.000 0.627 98 A CB -1.158 17.789 19.000 -0.087 0.000 0.815 98 A HN 0.761 nan 8.150 nan 0.000 0.443 99 H N -1.820 117.150 119.070 -0.166 0.000 2.357 99 H HA -0.155 4.401 4.556 -0.000 0.000 0.301 99 H C 1.583 176.941 175.328 0.050 0.000 1.082 99 H CA 1.970 57.950 56.048 -0.113 0.000 1.342 99 H CB -0.236 29.397 29.762 -0.216 0.000 1.389 99 H HN 0.584 nan 8.280 nan 0.000 0.511 100 W N 0.685 121.950 121.300 -0.058 0.000 2.611 100 W HA 0.115 4.775 4.660 0.000 0.000 0.251 100 W C 0.471 176.939 176.519 -0.085 0.000 1.265 100 W CA 0.785 58.074 57.345 -0.094 0.000 1.295 100 W CB -0.182 29.293 29.460 0.024 0.000 1.129 100 W HN 0.196 nan 8.180 nan 0.000 0.630 101 R N -1.017 119.556 120.500 0.122 0.000 3.527 101 R HA -0.148 4.192 4.340 -0.000 0.000 0.288 101 R C -0.971 175.399 176.300 0.116 0.000 1.146 101 R CA 0.405 56.547 56.100 0.069 0.000 0.778 101 R CB -2.331 27.981 30.300 0.021 0.000 1.289 101 R HN -0.034 nan 8.270 nan 0.000 0.454 102 V N 1.026 121.050 119.914 0.183 0.000 2.555 102 V HA 0.460 4.580 4.120 -0.000 0.000 0.302 102 V C -1.915 174.281 176.094 0.170 0.000 1.038 102 V CA -1.864 60.563 62.300 0.212 0.000 0.887 102 V CB 2.330 34.374 31.823 0.368 0.000 0.991 102 V HN -0.044 nan 8.190 nan 0.000 0.434 103 P HA 0.357 nan 4.420 nan 0.000 0.271 103 P C -0.982 176.386 177.300 0.112 0.000 1.218 103 P CA -0.230 62.934 63.100 0.106 0.000 0.780 103 P CB 0.755 32.521 31.700 0.111 0.000 0.901 104 L N 3.075 124.347 121.223 0.081 0.000 2.385 104 L HA 0.549 4.889 4.340 -0.000 0.000 0.273 104 L C -1.574 175.298 176.870 0.003 0.000 0.990 104 L CA -0.634 54.251 54.840 0.074 0.000 0.821 104 L CB 1.126 43.218 42.059 0.056 0.000 1.279 104 L HN 0.170 nan 8.230 nan 0.000 0.412 105 L N 4.358 125.556 121.223 -0.042 0.000 2.341 105 L HA 0.794 5.134 4.340 -0.000 0.000 0.278 105 L C -0.277 176.477 176.870 -0.193 0.000 1.005 105 L CA -0.318 54.446 54.840 -0.126 0.000 0.818 105 L CB 2.046 44.000 42.059 -0.175 0.000 1.259 105 L HN 0.640 nan 8.230 nan 0.000 0.418 106 T N 0.631 114.991 114.554 -0.323 0.000 2.889 106 T HA 0.642 4.992 4.350 -0.000 0.000 0.315 106 T C -0.107 174.237 174.700 -0.594 0.000 1.291 106 T CA 0.222 62.023 62.100 -0.500 0.000 1.028 106 T CB 1.885 70.613 68.868 -0.233 0.000 1.235 106 T HN 0.606 nan 8.240 nan 0.000 0.491 107 A N 1.959 124.314 122.820 -0.776 0.000 2.390 107 A HA 0.686 5.006 4.320 -0.000 0.000 0.232 107 A C 1.139 178.668 177.584 -0.092 0.000 1.233 107 A CA 0.712 52.527 52.037 -0.370 0.000 0.907 107 A CB -0.321 18.522 19.000 -0.262 0.000 0.967 107 A HN 1.016 nan 8.150 nan 0.000 0.512 108 G N -2.294 106.418 108.800 -0.147 0.000 3.019 108 G HA2 0.509 4.469 3.960 -0.000 0.000 0.152 108 G HA3 0.509 4.469 3.960 -0.000 0.000 0.152 108 G C 0.708 175.383 174.900 -0.375 0.000 1.320 108 G CA -0.061 44.861 45.100 -0.297 0.000 1.013 108 G HN 1.470 nan 8.290 nan 0.000 0.593 109 A N -0.262 122.263 122.820 -0.491 0.000 2.560 109 A HA -0.095 4.225 4.320 -0.000 0.000 0.299 109 A C -0.758 176.572 177.584 -0.423 0.000 1.484 109 A CA 1.175 52.941 52.037 -0.451 0.000 0.749 109 A CB -1.404 17.344 19.000 -0.420 0.000 1.072 109 A HN 0.430 nan 8.150 nan 0.000 0.426 110 P HA 0.221 nan 4.420 nan 0.000 0.242 110 P C 0.770 177.775 177.300 -0.491 0.000 1.197 110 P CA 1.126 63.898 63.100 -0.547 0.000 0.765 110 P CB -0.257 30.886 31.700 -0.928 0.000 0.936 111 A N 0.463 123.032 122.820 -0.418 0.000 2.483 111 A HA 0.038 4.358 4.320 -0.000 0.000 0.238 111 A C 1.391 178.826 177.584 -0.248 0.000 1.070 111 A CA -0.314 51.517 52.037 -0.343 0.000 0.770 111 A CB -0.247 18.267 19.000 -0.811 0.000 1.008 111 A HN 0.147 nan 8.150 nan 0.000 0.497 112 L N 3.170 124.329 121.223 -0.106 0.000 2.079 112 L HA -0.058 4.282 4.340 -0.000 0.000 0.210 112 L C 2.237 179.033 176.870 -0.122 0.000 1.081 112 L CA 2.929 57.718 54.840 -0.086 0.000 0.752 112 L CB -0.939 41.102 42.059 -0.030 0.000 0.896 112 L HN 0.798 nan 8.230 nan 0.000 0.433 113 G N 0.287 109.002 108.800 -0.142 0.000 2.476 113 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.218 113 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.218 113 G C 1.488 176.237 174.900 -0.251 0.000 1.164 113 G CA 1.072 46.099 45.100 -0.121 0.000 0.768 113 G HN 0.437 nan 8.290 nan 0.000 0.560 114 I N 1.938 122.191 120.570 -0.528 0.000 2.567 114 I HA -0.082 4.088 4.170 -0.000 0.000 0.257 114 I C 2.799 178.677 176.117 -0.399 0.000 1.184 114 I CA 1.156 61.942 61.300 -0.857 0.000 1.451 114 I CB -1.516 36.050 38.000 -0.723 0.000 1.089 114 I HN 0.235 nan 8.210 nan 0.000 0.441 115 G N 0.824 109.489 108.800 -0.225 0.000 2.744 115 G HA2 0.016 3.976 3.960 -0.000 0.000 0.211 115 G HA3 0.016 3.976 3.960 -0.000 0.000 0.211 115 G C 0.847 175.730 174.900 -0.028 0.000 1.143 115 G CA -0.075 44.945 45.100 -0.134 0.000 0.788 115 G HN 0.202 nan 8.290 nan 0.000 0.534 116 V N 2.464 122.412 119.914 0.058 0.000 2.425 116 V HA 0.007 4.127 4.120 -0.000 0.000 0.276 116 V C 1.672 177.858 176.094 0.153 0.000 1.017 116 V CA 0.044 62.412 62.300 0.113 0.000 1.062 116 V CB 0.631 32.538 31.823 0.141 0.000 0.997 116 V HN 0.653 nan 8.190 nan 0.000 0.476 117 K N 3.762 124.228 120.400 0.110 0.000 1.990 117 K HA -0.254 4.066 4.320 -0.000 0.000 0.225 117 K C 1.235 177.906 176.600 0.118 0.000 1.053 117 K CA 2.295 58.669 56.287 0.146 0.000 0.982 117 K CB -0.339 32.236 32.500 0.125 0.000 0.734 117 K HN 0.588 nan 8.250 nan 0.000 0.448 118 D N 0.357 120.796 120.400 0.064 0.000 2.144 118 D HA -0.144 4.496 4.640 -0.000 0.000 0.199 118 D C 2.110 178.390 176.300 -0.034 0.000 0.984 118 D CA 1.284 55.296 54.000 0.020 0.000 0.834 118 D CB -0.031 40.774 40.800 0.009 0.000 0.955 118 D HN 0.314 nan 8.370 nan 0.000 0.465 119 E N 0.105 120.268 120.200 -0.063 0.000 2.046 119 E HA -0.114 4.236 4.350 -0.000 0.000 0.190 119 E C 0.327 176.637 176.600 -0.484 0.000 0.982 119 E CA 0.945 57.179 56.400 -0.277 0.000 0.800 119 E CB -0.144 29.381 29.700 -0.292 0.000 0.756 119 E HN 0.349 nan 8.360 nan 0.000 0.449 120 Y N 0.053 120.349 120.300 -0.007 0.000 2.724 120 Y HA 0.563 5.113 4.550 -0.000 0.000 0.370 120 Y C 0.116 176.048 175.900 0.053 0.000 0.978 120 Y CA -0.431 57.664 58.100 -0.009 0.000 1.443 120 Y CB -0.101 38.334 38.460 -0.042 0.000 1.386 120 Y HN -0.009 nan 8.280 nan 0.000 0.557 121 A N 0.397 123.281 122.820 0.105 0.000 2.507 121 A HA 0.238 4.558 4.320 -0.000 0.000 0.235 121 A C 1.168 178.816 177.584 0.107 0.000 1.070 121 A CA 0.096 52.198 52.037 0.109 0.000 0.768 121 A CB 0.050 19.062 19.000 0.021 0.000 1.011 121 A HN 0.846 nan 8.150 nan 0.000 0.502 122 L N -0.636 120.632 121.223 0.076 0.000 4.429 122 L HA -0.193 4.147 4.340 -0.000 0.000 0.422 122 L C 0.261 177.226 176.870 0.158 0.000 1.149 122 L CA 0.878 55.754 54.840 0.060 0.000 0.972 122 L CB -2.601 39.473 42.059 0.025 0.000 2.059 122 L HN 0.753 nan 8.230 nan 0.000 0.870 123 T N 0.380 115.087 114.554 0.256 0.000 2.788 123 T HA 0.400 4.750 4.350 -0.000 0.000 0.296 123 T C 0.406 175.229 174.700 0.205 0.000 1.009 123 T CA -0.097 62.109 62.100 0.176 0.000 0.949 123 T CB 1.485 70.428 68.868 0.124 0.000 0.946 123 T HN 0.008 nan 8.240 nan 0.000 0.453 124 T N 4.789 119.435 114.554 0.153 0.000 2.749 124 T HA 0.347 4.697 4.350 -0.000 0.000 0.287 124 T C 0.386 175.028 174.700 -0.096 0.000 0.970 124 T CA -0.664 61.493 62.100 0.095 0.000 0.980 124 T CB 0.662 69.644 68.868 0.191 0.000 0.924 124 T HN 0.320 nan 8.240 nan 0.000 0.456 125 R N 2.317 122.704 120.500 -0.189 0.000 2.204 125 R HA 0.268 4.608 4.340 -0.000 0.000 0.341 125 R C 1.285 177.444 176.300 -0.235 0.000 1.035 125 R CA -0.243 55.716 56.100 -0.234 0.000 0.887 125 R CB 0.525 30.671 30.300 -0.257 0.000 1.114 125 R HN 0.763 nan 8.270 nan 0.000 0.473 126 T N -1.414 112.993 114.554 -0.245 0.000 3.060 126 T HA 0.131 4.481 4.350 -0.000 0.000 0.249 126 T C 1.026 175.600 174.700 -0.211 0.000 1.079 126 T CA -0.077 61.891 62.100 -0.219 0.000 1.013 126 T CB 0.631 69.371 68.868 -0.214 0.000 0.975 126 T HN 0.495 nan 8.240 nan 0.000 0.518 127 G N 1.815 110.478 108.800 -0.229 0.000 2.642 127 G HA2 0.648 4.608 3.960 -0.000 0.000 0.291 127 G HA3 0.648 4.608 3.960 -0.000 0.000 0.291 127 G C -2.893 171.857 174.900 -0.249 0.000 1.345 127 G CA -1.978 43.001 45.100 -0.202 0.000 1.043 127 G HN 0.100 nan 8.290 nan 0.000 0.528 128 P HA 0.308 nan 4.420 nan 0.000 0.271 128 P C -0.531 176.620 177.300 -0.250 0.000 1.233 128 P CA -0.092 62.774 63.100 -0.390 0.000 0.789 128 P CB 1.287 32.525 31.700 -0.771 0.000 0.951 129 S N -0.591 115.018 115.700 -0.152 0.000 2.536 129 S HA 0.320 4.790 4.470 -0.000 0.000 0.271 129 S C 0.463 175.071 174.600 0.015 0.000 1.134 129 S CA -0.468 57.635 58.200 -0.162 0.000 0.897 129 S CB 0.373 63.492 63.200 -0.134 0.000 1.094 129 S HN 0.364 nan 8.310 nan 0.000 0.473 130 H N 2.726 121.821 119.070 0.041 0.000 2.470 130 H HA 0.005 4.560 4.556 -0.000 0.000 0.289 130 H C 2.203 177.531 175.328 -0.001 0.000 1.033 130 H CA 1.820 57.900 56.048 0.053 0.000 1.331 130 H CB -0.477 29.296 29.762 0.020 0.000 1.414 130 H HN 0.509 nan 8.280 nan 0.000 0.545 131 V N -0.085 119.876 119.914 0.078 0.000 2.407 131 V HA -0.178 3.942 4.120 -0.000 0.000 0.248 131 V C 2.065 178.173 176.094 0.023 0.000 1.055 131 V CA 1.474 63.780 62.300 0.011 0.000 1.049 131 V CB -0.334 31.474 31.823 -0.024 0.000 0.662 131 V HN 0.135 nan 8.190 nan 0.000 0.455 132 K N 0.462 120.916 120.400 0.091 0.000 2.211 132 K HA -0.084 4.236 4.320 -0.000 0.000 0.204 132 K C 2.098 178.782 176.600 0.141 0.000 1.047 132 K CA 1.637 58.030 56.287 0.176 0.000 0.935 132 K CB -0.632 32.027 32.500 0.265 0.000 0.728 132 K HN 0.555 nan 8.250 nan 0.000 0.452 133 L N 0.784 122.036 121.223 0.048 0.000 2.201 133 L HA -0.012 4.328 4.340 -0.000 0.000 0.212 133 L C 2.018 178.680 176.870 -0.346 0.000 1.105 133 L CA 1.644 56.271 54.840 -0.356 0.000 0.775 133 L CB -0.662 41.273 42.059 -0.207 0.000 0.913 133 L HN 0.139 nan 8.230 nan 0.000 0.440 134 G N -1.144 107.528 108.800 -0.213 0.000 2.408 134 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.217 134 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.217 134 G C 1.213 175.975 174.900 -0.231 0.000 1.150 134 G CA 0.706 45.655 45.100 -0.251 0.000 0.776 134 G HN 0.376 nan 8.290 nan 0.000 0.542 135 D N 0.370 120.693 120.400 -0.127 0.000 2.108 135 D HA -0.163 4.477 4.640 -0.000 0.000 0.190 135 D C 2.010 178.200 176.300 -0.184 0.000 0.995 135 D CA 0.900 54.873 54.000 -0.045 0.000 0.834 135 D CB -0.594 40.288 40.800 0.138 0.000 0.967 135 D HN 0.209 nan 8.370 nan 0.000 0.446 136 F N 1.704 121.239 119.950 -0.693 0.000 2.091 136 F HA -0.230 4.297 4.527 -0.000 0.000 0.299 136 F C 2.154 177.649 175.800 -0.507 0.000 1.103 136 F CA 0.978 58.322 58.000 -1.093 0.000 1.228 136 F CB -0.778 37.489 39.000 -1.223 0.000 0.984 136 F HN -0.167 nan 8.300 nan 0.000 0.477 137 V N 0.161 119.610 119.914 -0.776 0.000 2.343 137 V HA -0.315 3.805 4.120 -0.000 0.000 0.247 137 V C 2.410 178.279 176.094 -0.375 0.000 1.051 137 V CA 2.429 64.282 62.300 -0.745 0.000 1.036 137 V CB -1.073 30.313 31.823 -0.728 0.000 0.654 137 V HN 0.463 nan 8.190 nan 0.000 0.451 138 T N 0.344 114.736 114.554 -0.271 0.000 2.684 138 T HA -0.211 4.139 4.350 -0.000 0.000 0.267 138 T C 2.027 176.722 174.700 -0.007 0.000 1.036 138 T CA 1.744 63.775 62.100 -0.115 0.000 1.148 138 T CB -0.454 68.362 68.868 -0.086 0.000 0.863 138 T HN 0.583 nan 8.240 nan 0.000 0.436 139 A N 0.997 123.824 122.820 0.012 0.000 1.902 139 A HA 0.002 4.322 4.320 -0.000 0.000 0.217 139 A C 2.240 179.896 177.584 0.120 0.000 1.181 139 A CA 1.297 53.416 52.037 0.137 0.000 0.623 139 A CB -0.725 18.482 19.000 0.346 0.000 0.818 139 A HN 0.422 nan 8.150 nan 0.000 0.443 140 L N -1.276 119.966 121.223 0.033 0.000 2.109 140 L HA -0.097 4.243 4.340 -0.000 0.000 0.207 140 L C 2.264 179.182 176.870 0.081 0.000 1.086 140 L CA 2.018 56.888 54.840 0.051 0.000 0.760 140 L CB -0.669 41.278 42.059 -0.187 0.000 0.910 140 L HN 0.544 nan 8.230 nan 0.000 0.437 141 H N -0.747 118.321 119.070 -0.002 0.000 2.363 141 H HA -0.058 4.498 4.556 -0.000 0.000 0.301 141 H C 2.313 177.639 175.328 -0.003 0.000 1.074 141 H CA 1.417 57.528 56.048 0.105 0.000 1.354 141 H CB 0.415 30.249 29.762 0.120 0.000 1.397 141 H HN 0.311 nan 8.280 nan 0.000 0.516 142 R N 0.445 120.997 120.500 0.086 0.000 2.070 142 R HA -0.115 4.225 4.340 -0.000 0.000 0.232 142 R C 2.545 178.812 176.300 -0.056 0.000 1.138 142 R CA 1.073 57.181 56.100 0.012 0.000 0.936 142 R CB -0.200 30.120 30.300 0.033 0.000 0.839 142 R HN 0.192 nan 8.270 nan 0.000 0.429 143 R N 0.939 121.422 120.500 -0.029 0.000 2.134 143 R HA -0.171 4.169 4.340 -0.000 0.000 0.248 143 R C 1.503 177.710 176.300 -0.155 0.000 1.143 143 R CA 1.677 57.750 56.100 -0.045 0.000 0.957 143 R CB -0.249 30.069 30.300 0.029 0.000 0.867 143 R HN 0.242 nan 8.270 nan 0.000 0.441 144 L N -0.737 120.288 121.223 -0.331 0.000 2.685 144 L HA 0.313 4.653 4.340 -0.000 0.000 0.233 144 L C 0.987 177.410 176.870 -0.744 0.000 1.173 144 L CA 0.267 54.744 54.840 -0.605 0.000 0.961 144 L CB 0.387 41.875 42.059 -0.951 0.000 1.217 144 L HN 0.459 nan 8.230 nan 0.000 0.478 145 G N -0.732 107.809 108.800 -0.432 0.000 2.203 145 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.263 145 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.263 145 G C -0.158 174.621 174.900 -0.203 0.000 1.012 145 G CA -0.322 44.607 45.100 -0.285 0.000 0.749 145 G HN 0.384 nan 8.290 nan 0.000 0.512 146 W N 1.032 122.204 121.300 -0.214 0.000 2.510 146 W HA 0.456 5.116 4.660 -0.000 0.000 0.388 146 W C 0.962 177.432 176.519 -0.082 0.000 1.092 146 W CA -0.571 56.626 57.345 -0.246 0.000 1.562 146 W CB -0.173 28.878 29.460 -0.682 0.000 1.603 146 W HN 0.442 nan 8.180 nan 0.000 0.396 147 E N 0.563 120.814 120.200 0.085 0.000 2.463 147 E HA -0.037 4.313 4.350 -0.000 0.000 0.193 147 E C 0.911 177.270 176.600 -0.402 0.000 1.041 147 E CA 0.376 56.668 56.400 -0.180 0.000 0.879 147 E CB 0.431 29.924 29.700 -0.344 0.000 0.997 147 E HN 0.444 nan 8.360 nan 0.000 0.478 148 H N -1.249 117.916 119.070 0.157 0.000 3.287 148 H HA 0.247 4.803 4.556 -0.000 0.000 0.151 148 H C 0.294 175.702 175.328 0.134 0.000 1.116 148 H CA -0.187 55.937 56.048 0.126 0.000 1.132 148 H CB 0.519 30.351 29.762 0.117 0.000 1.219 148 H HN -0.018 nan 8.280 nan 0.000 0.361 149 Q N 0.290 120.277 119.800 0.313 0.000 2.399 149 Q HA 0.693 5.033 4.340 -0.000 0.000 0.276 149 Q C -1.634 174.477 176.000 0.185 0.000 1.098 149 Q CA -0.873 55.048 55.803 0.196 0.000 0.827 149 Q CB 3.117 31.953 28.738 0.163 0.000 1.386 149 Q HN 0.476 nan 8.270 nan 0.000 0.443 150 A N 1.959 124.852 122.820 0.122 0.000 2.547 150 A HA 0.609 4.929 4.320 -0.000 0.000 0.297 150 A C -2.143 175.519 177.584 0.129 0.000 1.056 150 A CA -0.546 51.586 52.037 0.159 0.000 0.688 150 A CB 1.361 20.481 19.000 0.200 0.000 1.282 150 A HN 0.550 nan 8.150 nan 0.000 0.400 151 L N 2.611 123.934 121.223 0.168 0.000 2.296 151 L HA 0.761 5.101 4.340 -0.000 0.000 0.286 151 L C -1.052 175.983 176.870 0.276 0.000 1.023 151 L CA -0.310 54.629 54.840 0.166 0.000 0.812 151 L CB 1.737 43.867 42.059 0.117 0.000 1.223 151 L HN 0.463 nan 8.230 nan 0.000 0.421 152 V N 6.439 126.514 119.914 0.268 0.000 2.417 152 V HA 0.489 4.608 4.120 -0.000 0.000 0.291 152 V C -0.062 176.249 176.094 0.360 0.000 1.024 152 V CA -0.572 61.920 62.300 0.321 0.000 0.861 152 V CB 1.432 33.402 31.823 0.245 0.000 0.985 152 V HN 0.613 nan 8.190 nan 0.000 0.436 153 L N 6.055 127.509 121.223 0.385 0.000 2.334 153 L HA 0.755 5.095 4.340 -0.000 0.000 0.276 153 L C -0.906 176.257 176.870 0.489 0.000 1.014 153 L CA -0.792 54.291 54.840 0.404 0.000 0.815 153 L CB 1.802 44.078 42.059 0.362 0.000 1.268 153 L HN 0.823 nan 8.230 nan 0.000 0.428 154 Y N 0.716 121.134 120.300 0.196 0.000 2.552 154 Y HA 0.859 5.409 4.550 -0.000 0.000 0.337 154 Y C -1.229 174.381 175.900 -0.483 0.000 1.094 154 Y CA -1.120 56.957 58.100 -0.038 0.000 1.028 154 Y CB 1.677 40.129 38.460 -0.014 0.000 1.321 154 Y HN 0.601 nan 8.280 nan 0.000 0.456 155 A N 2.659 125.207 122.820 -0.454 0.000 2.455 155 A HA 0.704 5.024 4.320 -0.000 0.000 0.300 155 A C -1.953 175.520 177.584 -0.186 0.000 1.040 155 A CA -0.466 51.156 52.037 -0.692 0.000 0.697 155 A CB 1.315 19.647 19.000 -1.113 0.000 1.265 155 A HN 0.893 nan 8.150 nan 0.000 0.407 156 D N 1.911 122.241 120.400 -0.117 0.000 2.855 156 D HA 0.322 4.962 4.640 -0.000 0.000 0.241 156 D C -0.756 175.543 176.300 -0.003 0.000 1.277 156 D CA -0.657 53.346 54.000 0.005 0.000 0.918 156 D CB 1.192 42.033 40.800 0.068 0.000 1.462 156 D HN 0.410 nan 8.370 nan 0.000 0.559 157 R N 1.431 121.949 120.500 0.031 0.000 2.446 157 R HA 0.021 4.361 4.340 -0.000 0.000 0.314 157 R C 1.323 177.642 176.300 0.032 0.000 1.003 157 R CA -0.555 55.566 56.100 0.035 0.000 1.018 157 R CB 0.450 30.781 30.300 0.051 0.000 0.945 157 R HN 0.348 nan 8.270 nan 0.000 0.419 158 L N 3.315 124.548 121.223 0.015 0.000 2.137 158 L HA -0.126 4.214 4.340 -0.000 0.000 0.213 158 L C 1.850 178.725 176.870 0.009 0.000 1.085 158 L CA 2.152 56.993 54.840 0.002 0.000 0.760 158 L CB -0.630 41.425 42.059 -0.007 0.000 0.893 158 L HN 0.885 nan 8.230 nan 0.000 0.434 159 G N -1.707 107.108 108.800 0.026 0.000 3.026 159 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.208 159 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.208 159 G C 0.228 175.166 174.900 0.063 0.000 1.169 159 G CA 0.496 45.615 45.100 0.032 0.000 0.788 159 G HN 0.550 nan 8.290 nan 0.000 0.533 160 D N -1.309 119.144 120.400 0.088 0.000 2.624 160 D HA 0.205 4.845 4.640 -0.000 0.000 0.257 160 D C -0.119 176.309 176.300 0.213 0.000 1.167 160 D CA -0.856 53.237 54.000 0.155 0.000 1.086 160 D CB 0.195 41.094 40.800 0.166 0.000 1.210 160 D HN -0.184 nan 8.370 nan 0.000 0.631 161 D N -1.439 119.154 120.400 0.321 0.000 2.352 161 D HA 0.088 4.728 4.640 -0.000 0.000 0.236 161 D C -0.196 176.408 176.300 0.507 0.000 1.148 161 D CA -0.221 54.064 54.000 0.475 0.000 0.844 161 D CB -0.213 40.879 40.800 0.487 0.000 0.933 161 D HN 0.262 nan 8.370 nan 0.000 0.507 162 R N -1.386 119.304 120.500 0.316 0.000 3.092 162 R HA -0.177 4.163 4.340 -0.000 0.000 0.245 162 R C -1.853 174.607 176.300 0.266 0.000 0.881 162 R CA 0.187 56.399 56.100 0.187 0.000 0.614 162 R CB -1.711 28.566 30.300 -0.037 0.000 1.128 162 R HN 0.333 nan 8.270 nan 0.000 0.483 163 P HA -0.086 nan 4.420 nan 0.000 0.216 163 P C 1.186 178.630 177.300 0.241 0.000 1.153 163 P CA 0.853 64.173 63.100 0.366 0.000 0.848 163 P CB 0.132 32.029 31.700 0.328 0.000 0.787 164 c N -2.519 116.180 118.600 0.165 0.000 2.500 164 c HA 0.056 4.626 4.570 -0.000 0.000 0.273 164 c C 2.368 176.454 174.090 -0.007 0.000 1.428 164 c CA -0.057 56.325 56.329 0.089 0.000 1.766 164 c CB -2.149 40.443 42.510 0.136 0.000 1.817 164 c HN 0.204 nan 8.230 nan 0.000 0.543 165 F N -0.116 119.716 119.950 -0.198 0.000 2.219 165 F HA 0.081 4.607 4.527 -0.000 0.000 0.294 165 F C 1.827 177.348 175.800 -0.466 0.000 1.086 165 F CA 1.427 59.162 58.000 -0.442 0.000 1.330 165 F CB -0.502 38.204 39.000 -0.491 0.000 1.047 165 F HN 0.176 nan 8.300 nan 0.000 0.495 166 F N 0.752 120.642 119.950 -0.100 0.000 2.171 166 F HA -0.181 4.346 4.527 -0.000 0.000 0.300 166 F C 2.238 177.756 175.800 -0.470 0.000 1.090 166 F CA 1.201 59.065 58.000 -0.227 0.000 1.293 166 F CB -0.482 38.587 39.000 0.116 0.000 1.013 166 F HN -0.025 nan 8.300 nan 0.000 0.486 167 I N -0.626 119.650 120.570 -0.490 0.000 2.142 167 I HA -0.272 3.898 4.170 -0.000 0.000 0.240 167 I C 2.268 178.122 176.117 -0.438 0.000 1.078 167 I CA 1.036 61.898 61.300 -0.730 0.000 1.343 167 I CB -0.563 37.166 38.000 -0.453 0.000 1.046 167 I HN -0.082 nan 8.210 nan 0.000 0.405 168 V N 0.602 120.245 119.914 -0.452 0.000 2.427 168 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 168 V C 2.454 178.266 176.094 -0.470 0.000 1.051 168 V CA 1.905 63.931 62.300 -0.457 0.000 1.048 168 V CB -0.603 30.850 31.823 -0.617 0.000 0.666 168 V HN 0.471 nan 8.190 nan 0.000 0.456 169 E N 0.339 120.156 120.200 -0.639 0.000 2.085 169 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 169 E C 2.265 178.736 176.600 -0.215 0.000 0.994 169 E CA 1.567 57.657 56.400 -0.517 0.000 0.801 169 E CB -0.445 28.863 29.700 -0.652 0.000 0.743 169 E HN 0.588 nan 8.360 nan 0.000 0.453 170 G N 1.460 110.163 108.800 -0.162 0.000 2.421 170 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.216 170 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.216 170 G C 1.568 176.403 174.900 -0.108 0.000 1.171 170 G CA 0.707 45.770 45.100 -0.062 0.000 0.775 170 G HN 0.334 nan 8.290 nan 0.000 0.543 171 L N -1.017 120.104 121.223 -0.170 0.000 2.017 171 L HA -0.055 4.285 4.340 -0.000 0.000 0.208 171 L C 2.597 179.341 176.870 -0.210 0.000 1.073 171 L CA 1.791 56.489 54.840 -0.237 0.000 0.745 171 L CB -0.314 41.553 42.059 -0.320 0.000 0.894 171 L HN 0.343 nan 8.230 nan 0.000 0.432 172 Y N -0.092 120.042 120.300 -0.277 0.000 2.145 172 Y HA -0.307 4.243 4.550 -0.000 0.000 0.286 172 Y C 2.455 178.247 175.900 -0.180 0.000 1.145 172 Y CA 2.115 60.076 58.100 -0.231 0.000 1.148 172 Y CB -0.049 38.258 38.460 -0.255 0.000 0.981 172 Y HN 0.132 nan 8.280 nan 0.000 0.507 173 M N -0.569 118.993 119.600 -0.063 0.000 2.200 173 M HA -0.087 4.393 4.480 -0.000 0.000 0.265 173 M C 2.232 178.440 176.300 -0.153 0.000 1.066 173 M CA 1.316 56.557 55.300 -0.098 0.000 1.127 173 M CB -0.795 31.806 32.600 0.002 0.000 1.379 173 M HN 0.190 nan 8.290 nan 0.000 0.420 174 R N 0.767 121.181 120.500 -0.143 0.000 2.062 174 R HA -0.017 4.323 4.340 -0.000 0.000 0.229 174 R C 2.011 178.205 176.300 -0.178 0.000 1.128 174 R CA 1.323 57.342 56.100 -0.135 0.000 0.960 174 R CB -1.083 29.148 30.300 -0.115 0.000 0.855 174 R HN 0.160 nan 8.270 nan 0.000 0.432 175 V N 1.148 120.915 119.914 -0.243 0.000 2.392 175 V HA -0.212 3.908 4.120 -0.000 0.000 0.249 175 V C 2.383 178.326 176.094 -0.252 0.000 1.059 175 V CA 2.075 64.212 62.300 -0.271 0.000 1.051 175 V CB -0.449 31.158 31.823 -0.360 0.000 0.658 175 V HN 0.331 nan 8.190 nan 0.000 0.455 176 R N -0.576 119.738 120.500 -0.310 0.000 2.148 176 R HA -0.135 4.205 4.340 -0.000 0.000 0.223 176 R C 2.289 178.484 176.300 -0.176 0.000 1.088 176 R CA 1.232 57.160 56.100 -0.285 0.000 0.985 176 R CB -0.098 29.943 30.300 -0.432 0.000 0.880 176 R HN 0.627 nan 8.270 nan 0.000 0.451 177 E N 0.602 120.711 120.200 -0.152 0.000 2.107 177 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 177 E C 1.822 178.375 176.600 -0.079 0.000 0.982 177 E CA 1.020 57.361 56.400 -0.097 0.000 0.809 177 E CB 0.297 29.948 29.700 -0.082 0.000 0.756 177 E HN 0.206 nan 8.360 nan 0.000 0.459 178 R N -0.574 119.873 120.500 -0.089 0.000 2.087 178 R HA 0.164 4.504 4.340 -0.000 0.000 0.216 178 R C 2.273 178.536 176.300 -0.062 0.000 1.114 178 R CA 0.599 56.660 56.100 -0.065 0.000 1.002 178 R CB 0.072 30.337 30.300 -0.058 0.000 0.903 178 R HN 0.166 nan 8.270 nan 0.000 0.445 179 L N 0.501 121.674 121.223 -0.083 0.000 2.477 179 L HA 0.135 4.475 4.340 -0.000 0.000 0.220 179 L C 0.163 176.993 176.870 -0.068 0.000 1.106 179 L CA -0.172 54.628 54.840 -0.066 0.000 0.851 179 L CB -0.179 41.842 42.059 -0.064 0.000 0.994 179 L HN 0.219 nan 8.230 nan 0.000 0.462 180 N N 1.474 120.121 118.700 -0.087 0.000 2.699 180 N HA -0.218 4.522 4.740 -0.000 0.000 0.256 180 N C -0.361 175.112 175.510 -0.062 0.000 0.993 180 N CA 0.626 53.630 53.050 -0.078 0.000 0.759 180 N CB -0.912 37.543 38.487 -0.053 0.000 0.906 180 N HN 0.542 nan 8.380 nan 0.000 0.541 181 I N -4.309 116.217 120.570 -0.074 0.000 3.205 181 I HA 0.594 4.763 4.170 -0.000 0.000 0.310 181 I C 0.426 176.519 176.117 -0.039 0.000 1.089 181 I CA -0.725 60.556 61.300 -0.032 0.000 1.023 181 I CB 1.370 39.370 38.000 0.000 0.000 1.269 181 I HN -0.075 nan 8.210 nan 0.000 0.512 182 T N 2.720 117.281 114.554 0.012 0.000 2.723 182 T HA 0.438 4.788 4.350 -0.000 0.000 0.297 182 T C -0.249 174.454 174.700 0.004 0.000 0.925 182 T CA -0.321 61.783 62.100 0.007 0.000 1.030 182 T CB 0.461 69.343 68.868 0.024 0.000 0.905 182 T HN 0.396 nan 8.240 nan 0.000 0.502 183 V N 5.578 125.490 119.914 -0.002 0.000 2.293 183 V HA 0.294 4.414 4.120 -0.000 0.000 0.275 183 V C 0.305 176.506 176.094 0.178 0.000 1.021 183 V CA -1.197 61.134 62.300 0.053 0.000 0.815 183 V CB 0.423 32.236 31.823 -0.017 0.000 1.025 183 V HN 0.736 nan 8.190 nan 0.000 0.448 184 N N 4.394 123.142 118.700 0.080 0.000 2.530 184 N HA 0.352 5.092 4.740 -0.000 0.000 0.277 184 N C -0.295 175.274 175.510 0.099 0.000 1.168 184 N CA -0.144 52.909 53.050 0.005 0.000 0.979 184 N CB 0.900 39.330 38.487 -0.094 0.000 1.141 184 N HN 0.876 nan 8.380 nan 0.000 0.459 185 H N -1.039 118.091 119.070 0.100 0.000 2.851 185 H HA 0.556 5.112 4.556 -0.000 0.000 0.372 185 H C -1.361 174.034 175.328 0.112 0.000 1.158 185 H CA -0.894 55.238 56.048 0.139 0.000 1.159 185 H CB 1.997 31.819 29.762 0.099 0.000 1.757 185 H HN 0.325 nan 8.280 nan 0.000 0.546 186 Q N 1.790 121.742 119.800 0.253 0.000 2.268 186 Q HA 0.222 4.562 4.340 -0.000 0.000 0.266 186 Q C -1.538 174.340 176.000 -0.204 0.000 1.006 186 Q CA -0.595 55.236 55.803 0.045 0.000 0.824 186 Q CB 2.495 31.236 28.738 0.006 0.000 1.306 186 Q HN 0.834 nan 8.270 nan 0.000 0.424 187 E N 3.993 123.933 120.200 -0.434 0.000 2.214 187 E HA 0.680 5.030 4.350 -0.000 0.000 0.274 187 E C -1.239 175.137 176.600 -0.374 0.000 0.977 187 E CA -0.675 55.207 56.400 -0.863 0.000 0.827 187 E CB 0.751 29.934 29.700 -0.861 0.000 1.130 187 E HN 0.508 nan 8.360 nan 0.000 0.394 188 F N 0.489 120.170 119.950 -0.447 0.000 2.664 188 F HA 0.610 5.137 4.527 -0.000 0.000 0.317 188 F C -1.704 174.042 175.800 -0.091 0.000 1.108 188 F CA -1.259 56.519 58.000 -0.369 0.000 0.957 188 F CB 0.860 39.662 39.000 -0.331 0.000 1.365 188 F HN 0.091 nan 8.300 nan 0.000 0.475 189 V N 2.012 122.175 119.914 0.416 0.000 2.370 189 V HA 0.229 4.349 4.120 -0.000 0.000 0.279 189 V C 0.672 176.996 176.094 0.383 0.000 1.029 189 V CA -0.262 62.202 62.300 0.274 0.000 0.870 189 V CB 0.928 32.909 31.823 0.263 0.000 0.984 189 V HN 0.963 nan 8.190 nan 0.000 0.451 190 E N 3.906 124.255 120.200 0.248 0.000 2.021 190 E HA -0.194 4.156 4.350 -0.000 0.000 0.200 190 E C 2.160 178.960 176.600 0.334 0.000 1.015 190 E CA 1.740 58.368 56.400 0.380 0.000 0.824 190 E CB -0.252 29.598 29.700 0.250 0.000 0.762 190 E HN 0.955 nan 8.360 nan 0.000 0.454 191 G N 0.646 109.555 108.800 0.182 0.000 2.501 191 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.220 191 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.220 191 G C 0.445 175.396 174.900 0.084 0.000 1.114 191 G CA 0.435 45.601 45.100 0.111 0.000 0.757 191 G HN 0.145 nan 8.290 nan 0.000 0.559 192 D N 0.430 120.880 120.400 0.082 0.000 2.380 192 D HA 0.186 4.826 4.640 -0.000 0.000 0.230 192 D C -1.192 175.120 176.300 0.019 0.000 1.154 192 D CA -2.098 51.851 54.000 -0.086 0.000 0.859 192 D CB 2.021 42.569 40.800 -0.421 0.000 1.045 192 D HN 0.081 nan 8.370 nan 0.000 0.495 193 P HA -0.049 nan 4.420 nan 0.000 0.225 193 P C 0.648 178.029 177.300 0.133 0.000 1.156 193 P CA 0.438 63.603 63.100 0.108 0.000 0.787 193 P CB 0.588 32.269 31.700 -0.031 0.000 0.802 194 D N -0.156 120.233 120.400 -0.019 0.000 2.221 194 D HA -0.183 4.457 4.640 -0.000 0.000 0.204 194 D C 1.642 178.004 176.300 0.103 0.000 0.982 194 D CA 1.171 55.174 54.000 0.005 0.000 0.857 194 D CB -0.621 40.158 40.800 -0.035 0.000 0.934 194 D HN 0.512 nan 8.370 nan 0.000 0.475 195 H N -1.193 117.909 119.070 0.052 0.000 2.529 195 H HA -0.039 4.517 4.556 -0.000 0.000 0.277 195 H C 1.474 176.635 175.328 -0.277 0.000 0.999 195 H CA 0.204 56.187 56.048 -0.110 0.000 1.256 195 H CB 0.144 29.818 29.762 -0.147 0.000 1.402 195 H HN 0.185 nan 8.280 nan 0.000 0.566 196 Y N 0.569 120.860 120.300 -0.015 0.000 2.242 196 Y HA -0.075 4.475 4.550 -0.000 0.000 0.291 196 Y C -0.509 175.332 175.900 -0.098 0.000 1.137 196 Y CA 0.433 58.468 58.100 -0.108 0.000 1.181 196 Y CB -1.195 37.197 38.460 -0.115 0.000 0.989 196 Y HN 0.255 nan 8.280 nan 0.000 0.527 197 P HA -0.078 nan 4.420 nan 0.000 0.225 197 P C 0.884 178.170 177.300 -0.023 0.000 1.156 197 P CA 1.582 64.690 63.100 0.013 0.000 0.787 197 P CB 0.087 31.802 31.700 0.024 0.000 0.802 198 K N -0.678 119.701 120.400 -0.034 0.000 2.137 198 K HA 0.079 4.399 4.320 -0.000 0.000 0.202 198 K C 2.045 178.578 176.600 -0.112 0.000 1.052 198 K CA 0.748 57.001 56.287 -0.057 0.000 0.961 198 K CB -0.522 31.956 32.500 -0.036 0.000 0.741 198 K HN 0.146 nan 8.250 nan 0.000 0.452 199 L N 0.976 122.081 121.223 -0.196 0.000 1.994 199 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 199 L C 2.321 179.092 176.870 -0.166 0.000 1.071 199 L CA 0.830 55.514 54.840 -0.259 0.000 0.745 199 L CB -0.435 41.314 42.059 -0.517 0.000 0.892 199 L HN 0.166 nan 8.230 nan 0.000 0.431 200 L N 0.215 121.351 121.223 -0.146 0.000 1.990 200 L HA -0.280 4.059 4.340 -0.000 0.000 0.213 200 L C 2.801 179.630 176.870 -0.068 0.000 1.072 200 L CA 2.011 56.787 54.840 -0.107 0.000 0.755 200 L CB -1.334 40.673 42.059 -0.087 0.000 0.889 200 L HN 0.444 nan 8.230 nan 0.000 0.432 201 R N 0.156 120.625 120.500 -0.051 0.000 2.103 201 R HA -0.195 4.145 4.340 -0.000 0.000 0.242 201 R C 2.148 178.437 176.300 -0.018 0.000 1.142 201 R CA 1.845 57.930 56.100 -0.025 0.000 0.960 201 R CB -0.243 30.044 30.300 -0.021 0.000 0.858 201 R HN 0.296 nan 8.270 nan 0.000 0.439 202 A N 0.800 123.596 122.820 -0.039 0.000 1.902 202 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 202 A C 2.365 179.949 177.584 -0.001 0.000 1.181 202 A CA 1.557 53.574 52.037 -0.034 0.000 0.623 202 A CB -0.596 18.370 19.000 -0.058 0.000 0.818 202 A HN 0.238 nan 8.150 nan 0.000 0.443 203 V N -0.045 119.871 119.914 0.004 0.000 2.237 203 V HA -0.300 3.820 4.120 -0.000 0.000 0.245 203 V C 2.689 178.856 176.094 0.121 0.000 1.046 203 V CA 2.444 64.778 62.300 0.057 0.000 1.007 203 V CB -0.744 31.091 31.823 0.019 0.000 0.638 203 V HN 0.572 nan 8.190 nan 0.000 0.445 204 R N -0.604 119.936 120.500 0.066 0.000 2.091 204 R HA -0.178 4.162 4.340 -0.000 0.000 0.238 204 R C 2.498 178.935 176.300 0.228 0.000 1.136 204 R CA 1.812 58.009 56.100 0.162 0.000 0.959 204 R CB -0.355 29.993 30.300 0.079 0.000 0.856 204 R HN 0.466 nan 8.270 nan 0.000 0.437 205 R N -0.052 120.527 120.500 0.132 0.000 2.062 205 R HA 0.005 4.345 4.340 -0.000 0.000 0.229 205 R C 1.296 177.635 176.300 0.065 0.000 1.128 205 R CA 0.936 57.104 56.100 0.113 0.000 0.960 205 R CB 0.198 30.518 30.300 0.034 0.000 0.855 205 R HN -0.043 nan 8.270 nan 0.000 0.432 206 K N -0.801 119.568 120.400 -0.052 0.000 2.438 206 K HA 0.283 4.603 4.320 -0.000 0.000 0.206 206 K C -0.000 176.381 176.600 -0.364 0.000 1.081 206 K CA 0.150 56.228 56.287 -0.347 0.000 1.053 206 K CB 1.988 34.342 32.500 -0.244 0.000 0.908 206 K HN 0.164 nan 8.250 nan 0.000 0.556 207 G N 0.148 108.959 108.800 0.017 0.000 2.682 207 G HA2 0.474 4.434 3.960 -0.000 0.000 0.300 207 G HA3 0.474 4.434 3.960 -0.000 0.000 0.300 207 G C 0.085 175.199 174.900 0.358 0.000 1.391 207 G CA -0.366 44.822 45.100 0.147 0.000 0.990 207 G HN -0.178 nan 8.290 nan 0.000 0.501 208 R N 0.361 120.990 120.500 0.215 0.000 2.306 208 R HA 0.198 4.538 4.340 -0.000 0.000 0.183 208 R C 0.517 176.719 176.300 -0.163 0.000 0.937 208 R CA 0.250 56.350 56.100 -0.000 0.000 1.118 208 R CB 0.149 30.346 30.300 -0.172 0.000 1.224 208 R HN 0.348 nan 8.270 nan 0.000 0.597 209 V N 3.419 123.180 119.914 -0.255 0.000 2.353 209 V HA 0.310 4.430 4.120 -0.000 0.000 0.264 209 V C -0.045 175.971 176.094 -0.130 0.000 1.049 209 V CA -0.277 61.780 62.300 -0.404 0.000 0.896 209 V CB 0.821 32.188 31.823 -0.759 0.000 1.025 209 V HN 0.048 nan 8.190 nan 0.000 0.475 210 I N 5.475 125.981 120.570 -0.106 0.000 2.404 210 I HA 0.466 4.636 4.170 -0.000 0.000 0.293 210 I C -0.881 175.317 176.117 0.135 0.000 0.992 210 I CA -0.336 61.027 61.300 0.104 0.000 1.149 210 I CB 1.759 39.894 38.000 0.225 0.000 1.315 210 I HN 0.431 nan 8.210 nan 0.000 0.446 211 Y N 6.427 126.918 120.300 0.319 0.000 2.328 211 Y HA 0.607 5.157 4.550 -0.000 0.000 0.337 211 Y C -0.233 175.860 175.900 0.321 0.000 0.966 211 Y CA -0.639 57.657 58.100 0.326 0.000 1.136 211 Y CB 1.155 39.710 38.460 0.159 0.000 1.170 211 Y HN 0.307 nan 8.280 nan 0.000 0.470 212 I N 3.198 124.064 120.570 0.492 0.000 2.377 212 I HA 0.327 4.497 4.170 -0.000 0.000 0.293 212 I C -0.743 175.628 176.117 0.424 0.000 0.987 212 I CA -0.534 61.039 61.300 0.456 0.000 1.185 212 I CB 1.315 39.618 38.000 0.505 0.000 1.341 212 I HN 0.607 nan 8.210 nan 0.000 0.455 213 c N 6.750 125.578 118.600 0.380 0.000 2.294 213 c HA 0.786 5.356 4.570 -0.000 0.000 0.319 213 c C 0.263 174.524 174.090 0.285 0.000 1.164 213 c CA -0.058 56.456 56.329 0.309 0.000 1.497 213 c CB -1.324 41.308 42.510 0.204 0.000 2.061 213 c HN 0.941 nan 8.230 nan 0.000 0.438 214 S N 3.194 119.095 115.700 0.336 0.000 2.800 214 S HA 0.716 5.186 4.470 -0.000 0.000 0.293 214 S C -0.388 174.406 174.600 0.322 0.000 1.209 214 S CA -0.314 58.055 58.200 0.282 0.000 0.884 214 S CB 0.755 64.166 63.200 0.352 0.000 1.244 214 S HN 1.132 nan 8.310 nan 0.000 0.540 215 S N 0.443 116.299 115.700 0.260 0.000 2.614 215 S HA 0.480 4.950 4.470 -0.000 0.000 0.265 215 S C -2.098 172.673 174.600 0.285 0.000 1.303 215 S CA -0.858 57.485 58.200 0.239 0.000 1.000 215 S CB 0.105 63.410 63.200 0.176 0.000 0.935 215 S HN 0.502 nan 8.310 nan 0.000 0.551 216 P HA -0.054 nan 4.420 nan 0.000 0.216 216 P C 0.800 178.246 177.300 0.244 0.000 1.153 216 P CA 1.075 64.362 63.100 0.312 0.000 0.848 216 P CB -0.039 31.787 31.700 0.209 0.000 0.787 217 D N -0.610 119.895 120.400 0.175 0.000 2.144 217 D HA -0.114 4.526 4.640 -0.000 0.000 0.199 217 D C 1.980 178.363 176.300 0.139 0.000 0.984 217 D CA 1.526 55.609 54.000 0.138 0.000 0.834 217 D CB -0.540 40.318 40.800 0.096 0.000 0.955 217 D HN 0.070 nan 8.370 nan 0.000 0.465 218 A N 0.364 123.291 122.820 0.178 0.000 1.898 218 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 218 A C 2.051 179.716 177.584 0.136 0.000 1.181 218 A CA 0.796 52.960 52.037 0.210 0.000 0.620 218 A CB -0.885 18.305 19.000 0.315 0.000 0.819 218 A HN 0.243 nan 8.150 nan 0.000 0.442 219 F N 0.352 120.279 119.950 -0.039 0.000 2.234 219 F HA -0.074 4.453 4.527 -0.000 0.000 0.299 219 F C 2.340 178.071 175.800 -0.115 0.000 1.087 219 F CA 1.517 59.390 58.000 -0.213 0.000 1.340 219 F CB -0.168 38.429 39.000 -0.671 0.000 1.031 219 F HN 0.102 nan 8.300 nan 0.000 0.500 220 R N 0.694 121.225 120.500 0.051 0.000 2.082 220 R HA -0.191 4.149 4.340 -0.000 0.000 0.234 220 R C 2.005 178.272 176.300 -0.055 0.000 1.136 220 R CA 1.846 58.026 56.100 0.134 0.000 0.935 220 R CB -0.823 29.611 30.300 0.224 0.000 0.842 220 R HN 0.319 nan 8.270 nan 0.000 0.430 221 N N 0.908 119.576 118.700 -0.052 0.000 2.149 221 N HA -0.174 4.566 4.740 -0.000 0.000 0.188 221 N C 1.975 177.388 175.510 -0.163 0.000 1.019 221 N CA 1.126 54.121 53.050 -0.093 0.000 0.857 221 N CB -0.304 38.129 38.487 -0.090 0.000 0.997 221 N HN 0.246 nan 8.380 nan 0.000 0.426 222 L N 0.263 121.347 121.223 -0.231 0.000 2.093 222 L HA -0.045 4.295 4.340 -0.000 0.000 0.208 222 L C 2.275 178.824 176.870 -0.535 0.000 1.085 222 L CA 0.714 55.350 54.840 -0.340 0.000 0.755 222 L CB -0.225 41.596 42.059 -0.396 0.000 0.904 222 L HN 0.106 nan 8.230 nan 0.000 0.435 223 M N -0.732 118.461 119.600 -0.679 0.000 2.229 223 M HA -0.131 4.349 4.480 -0.000 0.000 0.264 223 M C 2.299 178.392 176.300 -0.345 0.000 1.063 223 M CA 1.610 56.492 55.300 -0.696 0.000 1.114 223 M CB -0.849 31.220 32.600 -0.885 0.000 1.387 223 M HN 0.231 nan 8.290 nan 0.000 0.420 224 L N -0.176 120.920 121.223 -0.211 0.000 1.976 224 L HA -0.209 4.131 4.340 -0.000 0.000 0.209 224 L C 2.346 179.138 176.870 -0.131 0.000 1.071 224 L CA 1.175 55.950 54.840 -0.110 0.000 0.746 224 L CB -0.779 41.240 42.059 -0.067 0.000 0.890 224 L HN 0.208 nan 8.230 nan 0.000 0.432 225 L N -0.638 120.492 121.223 -0.155 0.000 2.265 225 L HA -0.174 4.166 4.340 -0.000 0.000 0.215 225 L C 2.739 179.515 176.870 -0.156 0.000 1.117 225 L CA 0.848 55.608 54.840 -0.133 0.000 0.782 225 L CB -0.766 41.225 42.059 -0.112 0.000 0.914 225 L HN 0.254 nan 8.230 nan 0.000 0.441 226 A N 0.289 122.964 122.820 -0.242 0.000 1.873 226 A HA -0.188 4.132 4.320 -0.000 0.000 0.215 226 A C 2.235 179.750 177.584 -0.116 0.000 1.186 226 A CA 1.698 53.589 52.037 -0.245 0.000 0.616 226 A CB -0.603 18.095 19.000 -0.503 0.000 0.823 226 A HN 0.343 nan 8.150 nan 0.000 0.442 227 L N 0.225 121.392 121.223 -0.094 0.000 2.044 227 L HA -0.100 4.240 4.340 -0.000 0.000 0.205 227 L C 1.948 178.802 176.870 -0.026 0.000 1.075 227 L CA 2.520 57.345 54.840 -0.026 0.000 0.747 227 L CB -0.750 41.299 42.059 -0.017 0.000 0.903 227 L HN 0.436 nan 8.230 nan 0.000 0.435 228 N N -0.234 118.438 118.700 -0.046 0.000 2.314 228 N HA -0.220 4.520 4.740 -0.000 0.000 0.191 228 N C 1.360 176.850 175.510 -0.032 0.000 1.007 228 N CA 1.406 54.433 53.050 -0.038 0.000 0.883 228 N CB -0.143 38.313 38.487 -0.051 0.000 0.969 228 N HN 0.586 nan 8.380 nan 0.000 0.441 229 A N -1.256 121.540 122.820 -0.039 0.000 2.348 229 A HA 0.485 4.805 4.320 -0.000 0.000 0.224 229 A C 1.168 178.747 177.584 -0.009 0.000 1.227 229 A CA 0.363 52.382 52.037 -0.031 0.000 0.885 229 A CB -0.358 18.609 19.000 -0.054 0.000 0.933 229 A HN 0.371 nan 8.150 nan 0.000 0.506 230 G N -0.415 108.388 108.800 0.005 0.000 2.212 230 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.255 230 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.255 230 G C -0.312 174.629 174.900 0.068 0.000 1.062 230 G CA 0.279 45.401 45.100 0.036 0.000 0.815 230 G HN 0.543 nan 8.290 nan 0.000 0.497 231 L N 1.067 122.325 121.223 0.058 0.000 2.343 231 L HA 0.798 5.138 4.340 -0.000 0.000 0.278 231 L C 0.533 177.521 176.870 0.197 0.000 0.996 231 L CA -0.283 54.620 54.840 0.106 0.000 0.831 231 L CB 2.066 44.062 42.059 -0.105 0.000 1.232 231 L HN 0.376 nan 8.230 nan 0.000 0.413 232 T N -1.757 112.949 114.554 0.253 0.000 2.696 232 T HA 0.339 4.689 4.350 -0.000 0.000 0.291 232 T C 1.065 175.903 174.700 0.231 0.000 1.095 232 T CA -0.152 62.089 62.100 0.234 0.000 1.026 232 T CB 1.281 70.254 68.868 0.175 0.000 1.390 232 T HN 0.465 nan 8.240 nan 0.000 0.513 233 G N -0.156 108.782 108.800 0.230 0.000 2.564 233 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.217 233 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.217 233 G C 0.969 175.974 174.900 0.174 0.000 1.120 233 G CA 0.745 45.985 45.100 0.234 0.000 0.752 233 G HN 0.822 nan 8.290 nan 0.000 0.558 234 E N 0.632 120.916 120.200 0.140 0.000 2.031 234 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 234 E C 1.417 178.024 176.600 0.012 0.000 0.994 234 E CA 1.615 58.064 56.400 0.082 0.000 0.800 234 E CB -0.071 29.678 29.700 0.081 0.000 0.752 234 E HN 0.643 nan 8.360 nan 0.000 0.447 235 D N -2.418 117.957 120.400 -0.041 0.000 2.502 235 D HA 0.095 4.735 4.640 -0.000 0.000 0.232 235 D C -0.385 175.642 176.300 -0.456 0.000 1.137 235 D CA -0.087 53.753 54.000 -0.266 0.000 0.827 235 D CB 0.219 40.780 40.800 -0.398 0.000 1.141 235 D HN 0.069 nan 8.370 nan 0.000 0.517 236 Y N 0.241 120.468 120.300 -0.122 0.000 2.549 236 Y HA 0.642 5.192 4.550 -0.000 0.000 0.339 236 Y C -0.460 175.213 175.900 -0.378 0.000 1.053 236 Y CA -1.461 56.456 58.100 -0.306 0.000 1.105 236 Y CB 2.334 40.555 38.460 -0.398 0.000 1.258 236 Y HN -0.240 nan 8.280 nan 0.000 0.478 237 V N 3.258 122.917 119.914 -0.425 0.000 2.733 237 V HA 0.555 4.675 4.120 -0.000 0.000 0.306 237 V C -1.971 173.731 176.094 -0.654 0.000 1.084 237 V CA -0.968 61.095 62.300 -0.396 0.000 0.905 237 V CB 1.278 33.050 31.823 -0.084 0.000 1.010 237 V HN 0.620 nan 8.190 nan 0.000 0.424 238 F N 6.864 126.735 119.950 -0.132 0.000 2.403 238 F HA 0.628 5.155 4.527 -0.000 0.000 0.355 238 F C -0.422 175.319 175.800 -0.097 0.000 1.119 238 F CA -0.517 57.457 58.000 -0.043 0.000 1.007 238 F CB 1.459 40.485 39.000 0.044 0.000 1.194 238 F HN 0.358 nan 8.300 nan 0.000 0.443 239 F N 1.895 121.958 119.950 0.188 0.000 2.420 239 F HA 0.274 4.801 4.527 -0.000 0.000 0.342 239 F C 0.363 176.258 175.800 0.157 0.000 1.113 239 F CA -0.727 57.349 58.000 0.127 0.000 1.059 239 F CB 0.922 39.888 39.000 -0.056 0.000 1.128 239 F HN 0.454 nan 8.300 nan 0.000 0.475 240 H N 4.713 123.738 119.070 -0.076 0.000 2.594 240 H HA 0.359 4.915 4.556 -0.000 0.000 0.304 240 H C -0.394 174.884 175.328 -0.083 0.000 1.068 240 H CA -0.752 55.039 56.048 -0.428 0.000 1.308 240 H CB 0.823 29.827 29.762 -1.264 0.000 1.409 240 H HN 0.616 nan 8.280 nan 0.000 0.460 241 L N 5.887 127.231 121.223 0.202 0.000 2.376 241 L HA 0.004 4.344 4.340 -0.000 0.000 0.250 241 L C 0.179 176.954 176.870 -0.158 0.000 1.335 241 L CA 0.058 54.935 54.840 0.061 0.000 1.214 241 L CB -0.356 41.773 42.059 0.116 0.000 1.395 241 L HN 0.623 nan 8.230 nan 0.000 0.424 242 D N 0.923 121.075 120.400 -0.414 0.000 2.557 242 D HA 0.104 4.744 4.640 -0.000 0.000 0.236 242 D C 1.266 177.398 176.300 -0.279 0.000 1.154 242 D CA -0.320 53.397 54.000 -0.472 0.000 0.985 242 D CB 0.927 41.234 40.800 -0.822 0.000 1.010 242 D HN 0.222 nan 8.370 nan 0.000 0.516 243 V N 0.607 120.348 119.914 -0.290 0.000 2.332 243 V HA -0.135 3.985 4.120 -0.000 0.000 0.248 243 V C 1.617 177.270 176.094 -0.734 0.000 1.055 243 V CA 1.231 63.117 62.300 -0.689 0.000 1.038 243 V CB -1.094 30.067 31.823 -1.103 0.000 0.651 243 V HN 0.285 nan 8.190 nan 0.000 0.450 244 F N 2.109 121.932 119.950 -0.212 0.000 2.664 244 F HA 0.583 5.110 4.527 0.000 0.000 0.301 244 F C 1.848 177.626 175.800 -0.036 0.000 1.126 244 F CA 0.390 58.377 58.000 -0.021 0.000 1.373 244 F CB -0.353 38.687 39.000 0.066 0.000 1.042 244 F HN 0.378 nan 8.300 nan 0.000 0.535 245 G N 0.942 109.744 108.800 0.004 0.000 2.356 245 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.296 245 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.296 245 G C 1.233 176.092 174.900 -0.069 0.000 1.022 245 G CA 0.207 45.248 45.100 -0.098 0.000 0.961 245 G HN 0.340 nan 8.290 nan 0.000 0.510 246 Q N 0.030 119.816 119.800 -0.024 0.000 2.181 246 Q HA -0.129 4.211 4.340 -0.000 0.000 0.205 246 Q C 2.843 178.822 176.000 -0.035 0.000 0.980 246 Q CA 1.902 57.702 55.803 -0.005 0.000 0.862 246 Q CB -0.224 28.535 28.738 0.035 0.000 0.905 246 Q HN 0.936 nan 8.270 nan 0.000 0.429 247 S N -0.975 114.683 115.700 -0.069 0.000 2.522 247 S HA 0.048 4.518 4.470 -0.000 0.000 0.227 247 S C 1.274 175.787 174.600 -0.145 0.000 0.986 247 S CA 0.092 58.261 58.200 -0.051 0.000 0.929 247 S CB -0.062 63.156 63.200 0.029 0.000 0.769 247 S HN 0.106 nan 8.310 nan 0.000 0.529 248 L N -0.193 120.905 121.223 -0.208 0.000 2.585 248 L HA 0.672 5.012 4.340 -0.000 0.000 0.260 248 L C -0.508 176.274 176.870 -0.146 0.000 1.085 248 L CA -1.297 53.391 54.840 -0.253 0.000 0.913 248 L CB 0.759 42.535 42.059 -0.473 0.000 1.638 248 L HN -0.112 nan 8.230 nan 0.000 0.531 249 K N -0.437 119.891 120.400 -0.120 0.000 2.619 249 K HA 0.380 4.700 4.320 -0.000 0.000 0.251 249 K C -1.205 175.397 176.600 0.002 0.000 0.987 249 K CA -0.194 56.065 56.287 -0.047 0.000 0.844 249 K CB 2.123 34.595 32.500 -0.046 0.000 1.237 249 K HN 0.435 nan 8.250 nan 0.000 0.447 250 S N 0.765 116.493 115.700 0.046 0.000 2.640 250 S HA 0.500 4.970 4.470 -0.000 0.000 0.262 250 S C 1.085 175.737 174.600 0.087 0.000 1.232 250 S CA 0.488 58.749 58.200 0.102 0.000 0.988 250 S CB 0.931 64.216 63.200 0.142 0.000 1.034 250 S HN 0.860 nan 8.310 nan 0.000 0.569 251 A N -0.691 122.195 122.820 0.110 0.000 4.485 251 A HA -0.305 4.015 4.320 -0.000 0.000 0.263 251 A C 0.531 178.154 177.584 0.065 0.000 0.792 251 A CA 2.123 54.212 52.037 0.087 0.000 1.084 251 A CB -2.215 16.827 19.000 0.071 0.000 1.053 251 A HN 0.865 nan 8.150 nan 0.000 0.750 258 K N 2.548 122.735 120.400 -0.355 0.000 2.901 258 K HA 0.249 4.569 4.320 -0.000 0.000 0.199 258 K C -1.493 174.698 176.600 -0.682 0.000 1.140 258 K CA -1.479 54.370 56.287 -0.730 0.000 1.030 258 K CB 1.108 33.173 32.500 -0.724 0.000 1.437 258 K HN 0.170 nan 8.250 nan 0.000 0.552 259 P HA -0.173 nan 4.420 nan 0.000 0.220 259 P C 0.661 177.699 177.300 -0.436 0.000 1.148 259 P CA 1.016 63.906 63.100 -0.350 0.000 0.803 259 P CB 0.001 31.561 31.700 -0.233 0.000 0.782 260 W N 0.563 121.520 121.300 -0.572 0.000 3.077 260 W HA 0.307 4.968 4.660 0.000 0.000 0.266 260 W C 0.249 176.570 176.519 -0.329 0.000 1.300 260 W CA -0.417 56.422 57.345 -0.844 0.000 1.586 260 W CB -0.769 27.964 29.460 -1.212 0.000 1.103 260 W HN 0.005 nan 8.180 nan 0.000 0.652 261 E N 2.165 122.140 120.200 -0.375 0.000 2.259 261 E HA 0.175 4.525 4.350 -0.000 0.000 0.281 261 E C 0.453 177.005 176.600 -0.080 0.000 1.037 261 E CA 0.081 56.380 56.400 -0.167 0.000 0.854 261 E CB 0.967 30.366 29.700 -0.502 0.000 1.051 261 E HN -0.035 nan 8.360 nan 0.000 0.409 262 R N 2.440 122.951 120.500 0.018 0.000 2.612 262 R HA 0.241 4.581 4.340 -0.000 0.000 0.260 262 R C 0.104 176.411 176.300 0.012 0.000 0.943 262 R CA 0.419 56.521 56.100 0.003 0.000 1.036 262 R CB 1.240 31.553 30.300 0.022 0.000 1.520 262 R HN 0.741 nan 8.270 nan 0.000 0.563 263 G N 1.408 110.230 108.800 0.036 0.000 2.341 263 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.278 263 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.278 263 G C -0.480 174.436 174.900 0.026 0.000 1.111 263 G CA 0.282 45.401 45.100 0.032 0.000 0.982 263 G HN 0.278 nan 8.290 nan 0.000 0.502 264 D N -0.335 120.085 120.400 0.033 0.000 2.582 264 D HA 0.343 4.983 4.640 -0.000 0.000 0.246 264 D C 1.645 177.957 176.300 0.020 0.000 1.334 264 D CA 0.794 54.806 54.000 0.021 0.000 0.805 264 D CB 0.104 40.914 40.800 0.018 0.000 1.087 264 D HN 1.485 nan 8.370 nan 0.000 0.499 265 G N 1.875 110.691 108.800 0.028 0.000 2.225 265 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.267 265 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.267 265 G C 0.739 175.648 174.900 0.015 0.000 1.024 265 G CA 0.241 45.352 45.100 0.020 0.000 0.784 265 G HN 0.387 nan 8.290 nan 0.000 0.507 266 Q N -1.085 118.732 119.800 0.028 0.000 2.171 266 Q HA 0.114 4.454 4.340 -0.000 0.000 0.218 266 Q C 1.006 177.026 176.000 0.033 0.000 0.822 266 Q CA 0.281 56.098 55.803 0.024 0.000 0.987 266 Q CB 0.398 29.152 28.738 0.026 0.000 1.144 266 Q HN 0.499 nan 8.270 nan 0.000 0.494 267 D N 0.171 120.600 120.400 0.047 0.000 2.277 267 D HA -0.101 4.538 4.640 -0.000 0.000 0.208 267 D C 1.628 177.828 176.300 -0.167 0.000 0.962 267 D CA 0.566 54.589 54.000 0.039 0.000 0.865 267 D CB 0.198 41.128 40.800 0.217 0.000 0.939 267 D HN -0.022 nan 8.370 nan 0.000 0.510 268 R N 0.995 121.432 120.500 -0.105 0.000 2.061 268 R HA -0.039 4.301 4.340 -0.000 0.000 0.230 268 R C 2.052 178.272 176.300 -0.132 0.000 1.140 268 R CA 1.740 57.759 56.100 -0.135 0.000 0.940 268 R CB -0.552 29.704 30.300 -0.073 0.000 0.839 268 R HN 0.107 nan 8.270 nan 0.000 0.429 269 S N 0.696 116.352 115.700 -0.073 0.000 2.368 269 S HA -0.122 4.348 4.470 -0.000 0.000 0.225 269 S C 2.167 176.749 174.600 -0.031 0.000 1.030 269 S CA 0.966 59.139 58.200 -0.046 0.000 0.999 269 S CB -0.766 62.420 63.200 -0.024 0.000 0.844 269 S HN 0.472 nan 8.310 nan 0.000 0.459 270 A N 2.991 125.802 122.820 -0.015 0.000 1.869 270 A HA -0.274 4.046 4.320 -0.000 0.000 0.218 270 A C 2.225 179.832 177.584 0.039 0.000 1.203 270 A CA 2.309 54.401 52.037 0.092 0.000 0.638 270 A CB -0.918 18.132 19.000 0.083 0.000 0.831 270 A HN 0.563 nan 8.150 nan 0.000 0.450 271 R N -0.715 119.552 120.500 -0.389 0.000 2.083 271 R HA -0.222 4.118 4.340 -0.000 0.000 0.237 271 R C 2.394 178.587 176.300 -0.178 0.000 1.137 271 R CA 2.047 57.806 56.100 -0.567 0.000 0.951 271 R CB -0.507 29.290 30.300 -0.838 0.000 0.851 271 R HN 0.682 nan 8.270 nan 0.000 0.434 272 Q N -0.352 119.373 119.800 -0.125 0.000 2.096 272 Q HA -0.201 4.139 4.340 -0.000 0.000 0.204 272 Q C 2.013 178.035 176.000 0.036 0.000 0.982 272 Q CA 1.948 57.724 55.803 -0.045 0.000 0.850 272 Q CB -0.145 28.572 28.738 -0.036 0.000 0.901 272 Q HN 0.565 nan 8.270 nan 0.000 0.422 273 A N 0.082 122.943 122.820 0.067 0.000 1.841 273 A HA -0.139 4.181 4.320 -0.000 0.000 0.214 273 A C 1.538 179.203 177.584 0.135 0.000 1.195 273 A CA 0.998 53.080 52.037 0.074 0.000 0.611 273 A CB -0.979 18.032 19.000 0.018 0.000 0.835 273 A HN 0.426 nan 8.150 nan 0.000 0.443 274 F N 0.948 120.959 119.950 0.102 0.000 2.667 274 F HA -0.119 4.408 4.527 -0.000 0.000 0.295 274 F C 2.352 178.305 175.800 0.256 0.000 1.185 274 F CA 1.133 59.317 58.000 0.307 0.000 1.479 274 F CB -0.318 38.967 39.000 0.474 0.000 1.116 274 F HN 0.391 nan 8.300 nan 0.000 0.606 275 Q N -0.816 119.116 119.800 0.220 0.000 2.137 275 Q HA -0.027 4.313 4.340 -0.000 0.000 0.198 275 Q C 2.320 178.463 176.000 0.239 0.000 0.960 275 Q CA 1.089 56.957 55.803 0.109 0.000 0.847 275 Q CB -0.105 28.659 28.738 0.043 0.000 0.915 275 Q HN 0.405 nan 8.270 nan 0.000 0.448 276 A N 0.240 123.220 122.820 0.266 0.000 2.218 276 A HA 0.380 4.700 4.320 -0.000 0.000 0.209 276 A C 0.807 178.554 177.584 0.272 0.000 1.168 276 A CA 0.238 52.445 52.037 0.284 0.000 0.804 276 A CB 0.103 19.300 19.000 0.327 0.000 0.834 276 A HN 0.264 nan 8.150 nan 0.000 0.482 277 A N 0.132 123.142 122.820 0.316 0.000 2.340 277 A HA 0.642 4.962 4.320 -0.000 0.000 0.268 277 A C 0.074 177.921 177.584 0.439 0.000 1.100 277 A CA -0.162 52.084 52.037 0.349 0.000 0.803 277 A CB 0.368 19.501 19.000 0.220 0.000 1.043 277 A HN 0.345 nan 8.150 nan 0.000 0.488 278 K N 0.835 121.387 120.400 0.253 0.000 2.498 278 K HA 0.592 4.912 4.320 -0.000 0.000 0.254 278 K C -1.646 175.093 176.600 0.233 0.000 0.933 278 K CA -0.302 56.186 56.287 0.335 0.000 0.806 278 K CB 2.260 34.843 32.500 0.138 0.000 1.301 278 K HN 0.644 nan 8.250 nan 0.000 0.432 279 I N 3.678 124.398 120.570 0.250 0.000 2.378 279 I HA 0.380 4.550 4.170 -0.000 0.000 0.291 279 I C -0.550 175.752 176.117 0.308 0.000 0.992 279 I CA -0.725 60.636 61.300 0.102 0.000 1.154 279 I CB 1.393 39.268 38.000 -0.208 0.000 1.315 279 I HN 0.372 nan 8.210 nan 0.000 0.448 280 I N 6.030 126.755 120.570 0.258 0.000 2.321 280 I HA 0.357 4.527 4.170 -0.000 0.000 0.291 280 I C 0.440 176.681 176.117 0.206 0.000 0.998 280 I CA 0.026 61.542 61.300 0.360 0.000 1.227 280 I CB 1.521 39.780 38.000 0.432 0.000 1.368 280 I HN 0.654 nan 8.210 nan 0.000 0.466 281 T N 2.076 116.812 114.554 0.304 0.000 2.831 281 T HA 0.488 4.838 4.350 -0.000 0.000 0.287 281 T C -0.450 174.386 174.700 0.227 0.000 1.070 281 T CA -0.769 61.418 62.100 0.144 0.000 1.010 281 T CB 0.813 69.792 68.868 0.186 0.000 1.264 281 T HN 0.254 nan 8.240 nan 0.000 0.532 282 Y N 0.932 121.270 120.300 0.063 0.000 2.397 282 Y HA 0.284 4.834 4.550 -0.000 0.000 0.335 282 Y C 1.362 177.231 175.900 -0.051 0.000 1.213 282 Y CA -0.935 57.068 58.100 -0.162 0.000 1.391 282 Y CB 0.769 39.069 38.460 -0.267 0.000 1.293 282 Y HN 0.458 nan 8.280 nan 0.000 0.557 283 K N 3.345 123.756 120.400 0.018 0.000 2.379 283 K HA -0.016 4.304 4.320 -0.000 0.000 0.284 283 K C -0.564 176.016 176.600 -0.034 0.000 1.044 283 K CA -0.188 56.090 56.287 -0.014 0.000 0.974 283 K CB 0.649 33.096 32.500 -0.089 0.000 0.962 283 K HN 0.671 nan 8.250 nan 0.000 0.474 284 E N 5.826 126.029 120.200 0.006 0.000 2.290 284 E HA 0.167 4.517 4.350 -0.000 0.000 0.277 284 E C -2.331 174.174 176.600 -0.159 0.000 1.035 284 E CA -1.831 54.548 56.400 -0.034 0.000 0.873 284 E CB 0.697 30.451 29.700 0.090 0.000 1.029 284 E HN 0.268 nan 8.360 nan 0.000 0.419 285 P HA 0.051 nan 4.420 nan 0.000 0.267 285 P C -0.534 176.645 177.300 -0.202 0.000 1.205 285 P CA 0.153 63.001 63.100 -0.420 0.000 0.765 285 P CB 0.637 31.795 31.700 -0.905 0.000 0.828 286 D N 1.460 121.816 120.400 -0.074 0.000 2.433 286 D HA -0.048 4.592 4.640 -0.000 0.000 0.211 286 D C -0.115 176.213 176.300 0.045 0.000 1.114 286 D CA -0.165 53.845 54.000 0.015 0.000 0.837 286 D CB 0.002 40.803 40.800 0.002 0.000 0.984 286 D HN 0.350 nan 8.370 nan 0.000 0.505 287 N N 2.379 121.099 118.700 0.034 0.000 2.374 287 N HA -0.037 4.703 4.740 -0.000 0.000 0.241 287 N C -1.420 174.151 175.510 0.102 0.000 1.262 287 N CA -0.623 52.459 53.050 0.053 0.000 0.880 287 N CB 1.188 39.699 38.487 0.040 0.000 1.105 287 N HN -0.107 nan 8.380 nan 0.000 0.438 288 P HA -0.136 nan 4.420 nan 0.000 0.217 288 P C 0.647 178.006 177.300 0.099 0.000 1.150 288 P CA 1.519 64.667 63.100 0.080 0.000 0.832 288 P CB 0.240 31.971 31.700 0.052 0.000 0.787 289 E N -1.015 119.245 120.200 0.099 0.000 2.153 289 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 289 E C 2.114 178.803 176.600 0.149 0.000 0.988 289 E CA 0.927 57.389 56.400 0.103 0.000 0.811 289 E CB -1.119 28.629 29.700 0.080 0.000 0.746 289 E HN 0.309 nan 8.360 nan 0.000 0.466 290 Y N 1.110 121.436 120.300 0.043 0.000 2.089 290 Y HA -0.209 4.341 4.550 0.000 0.000 0.282 290 Y C 1.832 177.814 175.900 0.137 0.000 1.139 290 Y CA 1.568 59.707 58.100 0.065 0.000 1.123 290 Y CB -0.369 38.109 38.460 0.030 0.000 0.980 290 Y HN -0.033 nan 8.280 nan 0.000 0.493 291 L N -0.130 121.170 121.223 0.127 0.000 2.021 291 L HA -0.272 4.068 4.340 -0.000 0.000 0.215 291 L C 2.408 179.270 176.870 -0.013 0.000 1.074 291 L CA 2.003 56.864 54.840 0.036 0.000 0.760 291 L CB -0.701 41.407 42.059 0.083 0.000 0.889 291 L HN 0.208 nan 8.230 nan 0.000 0.433 292 E N -0.223 119.993 120.200 0.026 0.000 2.204 292 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 292 E C 1.790 178.383 176.600 -0.012 0.000 0.989 292 E CA 0.913 57.319 56.400 0.010 0.000 0.824 292 E CB -0.213 29.508 29.700 0.035 0.000 0.756 292 E HN 0.430 nan 8.360 nan 0.000 0.477 293 F N 0.007 119.859 119.950 -0.162 0.000 2.163 293 F HA -0.041 4.486 4.527 0.000 0.000 0.297 293 F C 1.649 177.302 175.800 -0.245 0.000 1.094 293 F CA 0.977 58.844 58.000 -0.221 0.000 1.290 293 F CB -0.153 38.674 39.000 -0.289 0.000 1.017 293 F HN -0.018 nan 8.300 nan 0.000 0.483 294 L N 0.680 121.739 121.223 -0.274 0.000 2.012 294 L HA -0.258 4.082 4.340 -0.000 0.000 0.210 294 L C 2.508 179.204 176.870 -0.291 0.000 1.073 294 L CA 1.782 56.426 54.840 -0.327 0.000 0.748 294 L CB -0.813 41.110 42.059 -0.227 0.000 0.891 294 L HN 0.059 nan 8.230 nan 0.000 0.431 295 K N -0.334 119.948 120.400 -0.197 0.000 2.057 295 K HA -0.235 4.085 4.320 -0.000 0.000 0.207 295 K C 2.203 178.697 176.600 -0.177 0.000 1.049 295 K CA 1.546 57.746 56.287 -0.146 0.000 0.931 295 K CB -0.216 32.231 32.500 -0.089 0.000 0.714 295 K HN 0.367 nan 8.250 nan 0.000 0.440 296 Q N 0.580 120.245 119.800 -0.224 0.000 2.124 296 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 296 Q C 2.132 177.952 176.000 -0.300 0.000 0.977 296 Q CA 0.933 56.602 55.803 -0.223 0.000 0.850 296 Q CB -0.039 28.572 28.738 -0.213 0.000 0.901 296 Q HN 0.179 nan 8.270 nan 0.000 0.429 297 L N 0.858 121.788 121.223 -0.488 0.000 2.027 297 L HA -0.174 4.166 4.340 -0.000 0.000 0.206 297 L C 1.803 178.518 176.870 -0.259 0.000 1.074 297 L CA 1.829 56.373 54.840 -0.493 0.000 0.745 297 L CB -0.188 41.435 42.059 -0.725 0.000 0.898 297 L HN -0.052 nan 8.230 nan 0.000 0.433 298 K N -0.544 119.733 120.400 -0.204 0.000 2.020 298 K HA -0.191 4.129 4.320 -0.000 0.000 0.212 298 K C 2.050 178.604 176.600 -0.077 0.000 1.050 298 K CA 2.203 58.423 56.287 -0.112 0.000 0.929 298 K CB -0.454 31.985 32.500 -0.101 0.000 0.714 298 K HN 0.315 nan 8.250 nan 0.000 0.443 299 L N 0.669 121.841 121.223 -0.085 0.000 2.017 299 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 299 L C 2.434 179.292 176.870 -0.021 0.000 1.073 299 L CA 0.882 55.692 54.840 -0.050 0.000 0.745 299 L CB -0.409 41.618 42.059 -0.053 0.000 0.894 299 L HN 0.266 nan 8.230 nan 0.000 0.432 300 L N -0.251 120.950 121.223 -0.037 0.000 2.093 300 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 300 L C 2.701 179.646 176.870 0.125 0.000 1.085 300 L CA 1.675 56.531 54.840 0.025 0.000 0.755 300 L CB -0.539 41.515 42.059 -0.009 0.000 0.904 300 L HN 0.276 nan 8.230 nan 0.000 0.435 301 A N -0.760 122.092 122.820 0.054 0.000 1.897 301 A HA -0.249 4.071 4.320 -0.000 0.000 0.215 301 A C 2.103 179.805 177.584 0.197 0.000 1.181 301 A CA 1.666 53.781 52.037 0.129 0.000 0.620 301 A CB -0.577 18.446 19.000 0.039 0.000 0.821 301 A HN 0.518 nan 8.150 nan 0.000 0.443 302 D N -0.591 119.869 120.400 0.101 0.000 2.117 302 D HA -0.160 4.480 4.640 -0.000 0.000 0.198 302 D C 1.889 178.227 176.300 0.063 0.000 0.982 302 D CA 1.238 55.278 54.000 0.066 0.000 0.828 302 D CB -0.063 40.741 40.800 0.007 0.000 0.967 302 D HN 0.326 nan 8.370 nan 0.000 0.464 303 K N 0.618 121.051 120.400 0.055 0.000 2.186 303 K HA -0.037 4.283 4.320 -0.000 0.000 0.202 303 K C 1.792 178.404 176.600 0.020 0.000 1.052 303 K CA 0.629 56.934 56.287 0.030 0.000 0.965 303 K CB 0.270 32.780 32.500 0.016 0.000 0.746 303 K HN 0.036 nan 8.250 nan 0.000 0.457 304 K N -1.410 119.015 120.400 0.041 0.000 2.474 304 K HA 0.127 4.447 4.320 -0.000 0.000 0.204 304 K C 0.918 177.378 176.600 -0.233 0.000 1.220 304 K CA -0.026 56.206 56.287 -0.092 0.000 0.966 304 K CB 0.636 33.057 32.500 -0.133 0.000 1.049 304 K HN -0.052 nan 8.250 nan 0.000 0.554 305 F N 1.163 121.102 119.950 -0.018 0.000 2.678 305 F HA 0.172 4.699 4.527 0.000 0.000 0.305 305 F C 0.207 176.034 175.800 0.044 0.000 1.090 305 F CA -0.458 57.532 58.000 -0.018 0.000 1.272 305 F CB 0.095 39.033 39.000 -0.104 0.000 1.060 305 F HN -0.022 nan 8.300 nan 0.000 0.576 306 N N 1.471 120.279 118.700 0.180 0.000 2.642 306 N HA -0.294 4.446 4.740 -0.000 0.000 0.269 306 N C -1.052 174.611 175.510 0.255 0.000 1.073 306 N CA 0.613 53.756 53.050 0.154 0.000 0.748 306 N CB -1.111 37.438 38.487 0.103 0.000 0.894 306 N HN 0.351 nan 8.380 nan 0.000 0.548 307 F N -0.252 119.721 119.950 0.038 0.000 2.744 307 F HA 0.457 4.984 4.527 -0.000 0.000 0.311 307 F C -0.979 174.812 175.800 -0.015 0.000 1.144 307 F CA -0.525 57.481 58.000 0.010 0.000 0.938 307 F CB 1.145 40.151 39.000 0.009 0.000 1.292 307 F HN -0.015 nan 8.300 nan 0.000 0.444 308 T N 3.944 117.984 114.554 -0.857 0.000 2.788 308 T HA 0.454 4.804 4.350 -0.000 0.000 0.296 308 T C -1.057 173.221 174.700 -0.704 0.000 1.009 308 T CA -0.428 61.334 62.100 -0.563 0.000 0.949 308 T CB 1.182 69.788 68.868 -0.436 0.000 0.946 308 T HN 0.405 nan 8.240 nan 0.000 0.453 309 V N 6.142 125.948 119.914 -0.181 0.000 2.356 309 V HA 0.133 4.253 4.120 -0.000 0.000 0.258 309 V C 1.000 177.065 176.094 -0.049 0.000 1.065 309 V CA -0.680 61.641 62.300 0.035 0.000 0.935 309 V CB -0.284 31.610 31.823 0.119 0.000 1.061 309 V HN 0.842 nan 8.190 nan 0.000 0.484 310 E N 3.669 123.825 120.200 -0.073 0.000 2.422 310 E HA 0.090 4.440 4.350 -0.000 0.000 0.260 310 E C -0.668 175.933 176.600 0.001 0.000 1.108 310 E CA -0.633 55.736 56.400 -0.053 0.000 0.943 310 E CB 0.883 30.546 29.700 -0.060 0.000 0.961 310 E HN 0.446 nan 8.360 nan 0.000 0.443 311 D N 0.420 120.823 120.400 0.005 0.000 2.372 311 D HA 0.459 5.099 4.640 -0.000 0.000 0.243 311 D C 0.055 176.395 176.300 0.065 0.000 1.121 311 D CA 0.753 54.777 54.000 0.040 0.000 0.898 311 D CB 1.415 42.238 40.800 0.039 0.000 1.202 311 D HN 0.668 nan 8.370 nan 0.000 0.428 312 G N 0.411 109.279 108.800 0.113 0.000 2.328 312 G HA2 0.013 3.973 3.960 -0.000 0.000 0.299 312 G HA3 0.013 3.973 3.960 -0.000 0.000 0.299 312 G C 0.311 175.339 174.900 0.214 0.000 1.435 312 G CA -0.794 44.388 45.100 0.137 0.000 0.865 312 G HN 0.440 nan 8.290 nan 0.000 0.601 313 L N 0.013 121.384 121.223 0.247 0.000 2.265 313 L HA -0.013 4.327 4.340 -0.000 0.000 0.215 313 L C 2.846 180.005 176.870 0.481 0.000 1.117 313 L CA 1.053 56.096 54.840 0.339 0.000 0.782 313 L CB -0.146 42.108 42.059 0.325 0.000 0.914 313 L HN 0.599 nan 8.230 nan 0.000 0.441 314 K N -0.360 120.293 120.400 0.421 0.000 2.280 314 K HA -0.128 4.192 4.320 -0.000 0.000 0.202 314 K C 1.469 178.248 176.600 0.297 0.000 1.047 314 K CA 0.730 57.210 56.287 0.322 0.000 0.942 314 K CB -0.218 32.241 32.500 -0.068 0.000 0.739 314 K HN 0.386 nan 8.250 nan 0.000 0.457 315 N N 1.791 120.660 118.700 0.283 0.000 2.443 315 N HA -0.131 4.609 4.740 -0.000 0.000 0.184 315 N C 1.788 177.521 175.510 0.371 0.000 1.037 315 N CA 0.882 54.102 53.050 0.284 0.000 0.896 315 N CB -0.217 38.419 38.487 0.247 0.000 0.959 315 N HN 0.445 nan 8.380 nan 0.000 0.442 316 I N -2.429 118.375 120.570 0.389 0.000 2.493 316 I HA -0.122 4.048 4.170 -0.000 0.000 0.254 316 I C 1.678 177.953 176.117 0.263 0.000 1.160 316 I CA 0.720 62.202 61.300 0.303 0.000 1.445 316 I CB -0.202 37.877 38.000 0.132 0.000 1.086 316 I HN -0.157 nan 8.210 nan 0.000 0.433 317 I N 2.304 123.083 120.570 0.348 0.000 2.113 317 I HA -0.105 4.065 4.170 -0.000 0.000 0.238 317 I C 0.123 176.503 176.117 0.438 0.000 1.070 317 I CA 1.719 63.259 61.300 0.401 0.000 1.332 317 I CB -2.976 35.334 38.000 0.516 0.000 1.044 317 I HN 0.246 nan 8.210 nan 0.000 0.402 318 P HA -0.083 nan 4.420 nan 0.000 0.220 318 P C 1.486 179.003 177.300 0.362 0.000 1.148 318 P CA 1.727 65.026 63.100 0.331 0.000 0.803 318 P CB 0.007 31.820 31.700 0.187 0.000 0.782 319 A N -0.230 122.740 122.820 0.250 0.000 1.969 319 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 319 A C 2.468 180.059 177.584 0.012 0.000 1.169 319 A CA 1.668 53.621 52.037 -0.140 0.000 0.635 319 A CB -1.308 17.613 19.000 -0.133 0.000 0.810 319 A HN 0.141 nan 8.150 nan 0.000 0.445 320 S N -1.479 114.294 115.700 0.122 0.000 2.414 320 S HA 0.031 4.501 4.470 -0.000 0.000 0.227 320 S C 1.511 176.151 174.600 0.066 0.000 1.022 320 S CA 0.653 58.886 58.200 0.055 0.000 0.958 320 S CB -0.421 62.778 63.200 -0.001 0.000 0.797 320 S HN 0.555 nan 8.310 nan 0.000 0.493 321 F N 1.504 121.514 119.950 0.100 0.000 2.186 321 F HA -0.120 4.407 4.527 0.000 0.000 0.299 321 F C 2.510 178.383 175.800 0.123 0.000 1.090 321 F CA 1.610 59.674 58.000 0.107 0.000 1.307 321 F CB -0.281 38.805 39.000 0.144 0.000 1.019 321 F HN 0.362 nan 8.300 nan 0.000 0.489 322 H N 0.121 119.329 119.070 0.230 0.000 2.293 322 H HA -0.156 4.400 4.556 -0.000 0.000 0.300 322 H C 1.544 176.933 175.328 0.101 0.000 1.082 322 H CA 2.122 58.268 56.048 0.162 0.000 1.308 322 H CB -0.288 29.544 29.762 0.117 0.000 1.375 322 H HN 0.138 nan 8.280 nan 0.000 0.495 323 D N -0.147 120.362 120.400 0.182 0.000 2.117 323 D HA -0.076 4.564 4.640 -0.000 0.000 0.198 323 D C 2.347 178.646 176.300 -0.002 0.000 0.982 323 D CA 1.204 55.287 54.000 0.137 0.000 0.828 323 D CB -0.846 40.055 40.800 0.168 0.000 0.967 323 D HN 0.577 nan 8.370 nan 0.000 0.464 324 G N 0.639 109.412 108.800 -0.045 0.000 2.422 324 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.218 324 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.218 324 G C 1.539 176.390 174.900 -0.080 0.000 1.146 324 G CA 0.409 45.439 45.100 -0.117 0.000 0.769 324 G HN 0.239 nan 8.290 nan 0.000 0.547 325 L N 0.156 121.363 121.223 -0.027 0.000 2.156 325 L HA 0.252 4.592 4.340 -0.000 0.000 0.208 325 L C 2.567 179.450 176.870 0.021 0.000 1.095 325 L CA 1.081 55.934 54.840 0.022 0.000 0.770 325 L CB -0.260 41.831 42.059 0.054 0.000 0.914 325 L HN 0.188 nan 8.230 nan 0.000 0.439 326 L N -1.639 119.553 121.223 -0.052 0.000 2.095 326 L HA -0.143 4.197 4.340 -0.000 0.000 0.204 326 L C 2.366 179.140 176.870 -0.161 0.000 1.080 326 L CA 0.653 55.478 54.840 -0.024 0.000 0.759 326 L CB -0.542 41.567 42.059 0.084 0.000 0.914 326 L HN 0.317 nan 8.230 nan 0.000 0.439 327 L N -0.685 120.280 121.223 -0.430 0.000 2.042 327 L HA -0.281 4.059 4.340 -0.000 0.000 0.210 327 L C 2.461 179.140 176.870 -0.318 0.000 1.076 327 L CA 1.921 56.297 54.840 -0.775 0.000 0.749 327 L CB -0.763 40.862 42.059 -0.722 0.000 0.893 327 L HN 0.235 nan 8.230 nan 0.000 0.432 328 Y N -1.108 119.041 120.300 -0.253 0.000 2.163 328 Y HA -0.168 4.382 4.550 -0.000 0.000 0.288 328 Y C 2.421 178.238 175.900 -0.138 0.000 1.136 328 Y CA 1.976 59.979 58.100 -0.161 0.000 1.147 328 Y CB -0.619 37.774 38.460 -0.111 0.000 0.987 328 Y HN -0.036 nan 8.280 nan 0.000 0.509 329 V N 0.942 120.805 119.914 -0.086 0.000 2.380 329 V HA -0.393 3.727 4.120 -0.000 0.000 0.251 329 V C 2.434 178.403 176.094 -0.209 0.000 1.063 329 V CA 2.575 64.773 62.300 -0.170 0.000 1.055 329 V CB -0.593 31.229 31.823 -0.002 0.000 0.657 329 V HN 0.618 nan 8.190 nan 0.000 0.455 330 Q N -0.972 118.738 119.800 -0.150 0.000 2.079 330 Q HA -0.143 4.197 4.340 -0.000 0.000 0.200 330 Q C 2.238 178.146 176.000 -0.153 0.000 0.974 330 Q CA 1.764 57.510 55.803 -0.096 0.000 0.840 330 Q CB -0.305 28.421 28.738 -0.019 0.000 0.898 330 Q HN 0.687 nan 8.270 nan 0.000 0.430 331 A N -0.272 122.413 122.820 -0.224 0.000 1.902 331 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 331 A C 2.172 179.591 177.584 -0.275 0.000 1.181 331 A CA 1.592 53.497 52.037 -0.219 0.000 0.623 331 A CB -0.719 18.153 19.000 -0.214 0.000 0.818 331 A HN 0.304 nan 8.150 nan 0.000 0.443 332 V N -0.283 119.369 119.914 -0.438 0.000 2.343 332 V HA -0.233 3.887 4.120 -0.000 0.000 0.247 332 V C 2.680 178.609 176.094 -0.275 0.000 1.051 332 V CA 2.437 64.473 62.300 -0.439 0.000 1.036 332 V CB -1.599 29.848 31.823 -0.628 0.000 0.654 332 V HN 0.581 nan 8.190 nan 0.000 0.451 333 T N 0.020 114.445 114.554 -0.216 0.000 2.684 333 T HA -0.252 4.098 4.350 -0.000 0.000 0.267 333 T C 1.824 176.480 174.700 -0.074 0.000 1.036 333 T CA 1.992 64.029 62.100 -0.105 0.000 1.148 333 T CB -0.333 68.499 68.868 -0.061 0.000 0.863 333 T HN 0.615 nan 8.240 nan 0.000 0.436 334 E N 0.358 120.507 120.200 -0.084 0.000 2.110 334 E HA -0.107 4.243 4.350 -0.000 0.000 0.193 334 E C 2.435 178.998 176.600 -0.060 0.000 0.988 334 E CA 1.318 57.684 56.400 -0.057 0.000 0.804 334 E CB -0.224 29.442 29.700 -0.055 0.000 0.745 334 E HN 0.383 nan 8.360 nan 0.000 0.458 335 T N 1.211 115.709 114.554 -0.094 0.000 2.777 335 T HA -0.093 4.257 4.350 -0.000 0.000 0.266 335 T C 1.888 176.557 174.700 -0.051 0.000 1.040 335 T CA 0.764 62.813 62.100 -0.085 0.000 1.141 335 T CB -0.111 68.680 68.868 -0.127 0.000 0.868 335 T HN 0.075 nan 8.240 nan 0.000 0.444 336 L N 0.725 121.920 121.223 -0.048 0.000 2.141 336 L HA -0.006 4.334 4.340 -0.000 0.000 0.209 336 L C 2.926 179.812 176.870 0.026 0.000 1.094 336 L CA 0.955 55.803 54.840 0.014 0.000 0.763 336 L CB -0.543 41.548 42.059 0.053 0.000 0.908 336 L HN 0.215 nan 8.230 nan 0.000 0.437 337 A N -0.763 122.062 122.820 0.009 0.000 1.972 337 A HA -0.209 4.110 4.320 -0.000 0.000 0.219 337 A C 1.996 179.585 177.584 0.008 0.000 1.169 337 A CA 1.370 53.414 52.037 0.012 0.000 0.635 337 A CB -0.262 18.741 19.000 0.005 0.000 0.810 337 A HN 0.488 nan 8.150 nan 0.000 0.446 338 Q N -2.027 117.773 119.800 -0.001 0.000 2.189 338 Q HA 0.364 4.704 4.340 -0.000 0.000 0.221 338 Q C 0.948 176.948 176.000 0.000 0.000 0.848 338 Q CA 0.340 56.142 55.803 -0.002 0.000 1.007 338 Q CB 0.471 29.203 28.738 -0.010 0.000 1.116 338 Q HN 0.791 nan 8.270 nan 0.000 0.481 339 G N -0.468 108.338 108.800 0.010 0.000 2.258 339 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.233 339 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.233 339 G C 0.531 175.442 174.900 0.018 0.000 1.006 339 G CA -0.379 44.731 45.100 0.016 0.000 0.620 339 G HN 0.557 nan 8.290 nan 0.000 0.511 340 G N -0.285 108.516 108.800 0.002 0.000 2.699 340 G HA2 0.516 4.476 3.960 -0.000 0.000 0.246 340 G HA3 0.516 4.476 3.960 -0.000 0.000 0.246 340 G C 0.397 175.303 174.900 0.010 0.000 1.219 340 G CA 1.317 46.413 45.100 -0.006 0.000 0.866 340 G HN 1.017 nan 8.290 nan 0.000 0.572 341 T N -2.385 112.173 114.554 0.008 0.000 2.893 341 T HA 0.294 4.644 4.350 -0.000 0.000 0.279 341 T C 1.761 176.417 174.700 -0.073 0.000 0.991 341 T CA 0.201 62.319 62.100 0.030 0.000 0.950 341 T CB 1.164 70.076 68.868 0.073 0.000 1.223 341 T HN 0.897 nan 8.240 nan 0.000 0.585 342 V N -0.144 119.681 119.914 -0.148 0.000 3.041 342 V HA 0.150 4.270 4.120 -0.000 0.000 0.260 342 V C 1.740 177.756 176.094 -0.130 0.000 1.105 342 V CA 1.530 63.656 62.300 -0.290 0.000 1.125 342 V CB -1.467 29.997 31.823 -0.598 0.000 0.730 342 V HN 0.964 nan 8.190 nan 0.000 0.479 343 T N -2.164 112.359 114.554 -0.051 0.000 3.287 343 T HA 0.265 4.615 4.350 -0.000 0.000 0.253 343 T C -0.079 174.618 174.700 -0.004 0.000 0.975 343 T CA -0.191 61.907 62.100 -0.004 0.000 0.912 343 T CB -0.520 68.362 68.868 0.023 0.000 1.071 343 T HN 0.399 nan 8.240 nan 0.000 0.578 344 D N 1.603 121.986 120.400 -0.028 0.000 2.622 344 D HA 0.345 4.985 4.640 -0.000 0.000 0.262 344 D C 1.591 177.868 176.300 -0.038 0.000 1.189 344 D CA -0.310 53.670 54.000 -0.033 0.000 0.985 344 D CB 0.575 41.347 40.800 -0.046 0.000 0.994 344 D HN 0.377 nan 8.370 nan 0.000 0.513 345 G N 1.475 110.267 108.800 -0.014 0.000 2.586 345 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.218 345 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.218 345 G C 1.430 176.287 174.900 -0.070 0.000 1.216 345 G CA 0.800 45.894 45.100 -0.010 0.000 0.786 345 G HN 0.306 nan 8.290 nan 0.000 0.583 346 E N 0.389 120.535 120.200 -0.089 0.000 2.048 346 E HA -0.153 4.197 4.350 -0.000 0.000 0.202 346 E C 2.494 178.995 176.600 -0.165 0.000 1.021 346 E CA 1.295 57.608 56.400 -0.146 0.000 0.825 346 E CB -0.299 29.331 29.700 -0.116 0.000 0.756 346 E HN 0.405 nan 8.360 nan 0.000 0.454 347 N N -0.041 118.589 118.700 -0.117 0.000 2.036 347 N HA -0.184 4.556 4.740 -0.000 0.000 0.195 347 N C 1.960 177.392 175.510 -0.129 0.000 1.037 347 N CA 1.514 54.497 53.050 -0.111 0.000 0.855 347 N CB -0.202 38.235 38.487 -0.083 0.000 1.033 347 N HN 0.133 nan 8.380 nan 0.000 0.423 348 I N 0.851 121.348 120.570 -0.122 0.000 2.179 348 I HA -0.240 3.930 4.170 -0.000 0.000 0.242 348 I C 2.275 178.318 176.117 -0.125 0.000 1.088 348 I CA 1.054 62.276 61.300 -0.130 0.000 1.357 348 I CB -0.592 37.334 38.000 -0.122 0.000 1.051 348 I HN 0.114 nan 8.210 nan 0.000 0.409 349 T N -0.033 114.429 114.554 -0.153 0.000 2.665 349 T HA -0.241 4.109 4.350 -0.000 0.000 0.268 349 T C 1.920 176.352 174.700 -0.448 0.000 1.035 349 T CA 1.266 63.204 62.100 -0.269 0.000 1.151 349 T CB -0.238 68.390 68.868 -0.401 0.000 0.862 349 T HN 0.303 nan 8.240 nan 0.000 0.438 350 Q N 0.481 120.028 119.800 -0.422 0.000 2.224 350 Q HA 0.034 4.374 4.340 -0.000 0.000 0.203 350 Q C 2.439 178.359 176.000 -0.132 0.000 0.970 350 Q CA 1.018 56.612 55.803 -0.349 0.000 0.865 350 Q CB -0.160 28.420 28.738 -0.262 0.000 0.922 350 Q HN 0.498 nan 8.270 nan 0.000 0.445 351 R N -0.636 119.798 120.500 -0.110 0.000 2.148 351 R HA 0.052 4.392 4.340 -0.000 0.000 0.223 351 R C 2.161 178.453 176.300 -0.012 0.000 1.088 351 R CA 0.820 56.888 56.100 -0.054 0.000 0.985 351 R CB 0.043 30.295 30.300 -0.079 0.000 0.880 351 R HN 0.251 nan 8.270 nan 0.000 0.451 352 M N -1.082 118.524 119.600 0.010 0.000 2.447 352 M HA -0.016 4.464 4.480 -0.000 0.000 0.264 352 M C -0.163 176.286 176.300 0.247 0.000 1.095 352 M CA 0.580 55.933 55.300 0.088 0.000 1.125 352 M CB 0.139 32.814 32.600 0.125 0.000 1.389 352 M HN 0.006 nan 8.290 nan 0.000 0.459 353 W N 1.354 122.623 121.300 -0.053 0.000 2.215 353 W HA 0.217 4.877 4.660 -0.000 0.000 0.342 353 W C 0.917 177.415 176.519 -0.035 0.000 1.237 353 W CA -1.077 56.241 57.345 -0.045 0.000 1.283 353 W CB -0.320 29.120 29.460 -0.034 0.000 1.131 353 W HN 0.224 nan 8.180 nan 0.000 0.606 354 N N 1.370 120.161 118.700 0.153 0.000 2.705 354 N HA -0.270 4.470 4.740 -0.000 0.000 0.255 354 N C -0.637 174.911 175.510 0.064 0.000 1.008 354 N CA 0.835 53.934 53.050 0.081 0.000 0.742 354 N CB -0.610 37.938 38.487 0.102 0.000 0.906 354 N HN 0.530 nan 8.380 nan 0.000 0.541 355 R N -0.165 120.359 120.500 0.040 0.000 2.604 355 R HA 0.479 4.819 4.340 -0.000 0.000 0.281 355 R C -0.754 175.550 176.300 0.006 0.000 1.020 355 R CA -0.357 55.767 56.100 0.039 0.000 0.899 355 R CB 1.070 31.398 30.300 0.047 0.000 1.205 355 R HN 0.270 nan 8.270 nan 0.000 0.450 356 S N 2.686 118.401 115.700 0.024 0.000 2.578 356 S HA 0.667 5.137 4.470 -0.000 0.000 0.283 356 S C -0.674 173.973 174.600 0.077 0.000 1.195 356 S CA -0.562 57.606 58.200 -0.053 0.000 1.050 356 S CB 1.394 64.616 63.200 0.036 0.000 1.012 356 S HN 0.435 nan 8.310 nan 0.000 0.511 357 F N 0.526 120.350 119.950 -0.210 0.000 2.613 357 F HA 0.568 5.095 4.527 -0.000 0.000 0.310 357 F C -1.133 174.608 175.800 -0.097 0.000 1.085 357 F CA -0.715 57.218 58.000 -0.112 0.000 0.945 357 F CB 2.209 41.149 39.000 -0.100 0.000 1.298 357 F HN 0.588 nan 8.300 nan 0.000 0.455 358 Q N 2.346 121.697 119.800 -0.749 0.000 2.394 358 Q HA 0.628 4.968 4.340 -0.000 0.000 0.259 358 Q C -0.409 175.277 176.000 -0.524 0.000 1.021 358 Q CA -0.292 55.237 55.803 -0.455 0.000 0.805 358 Q CB 1.490 30.044 28.738 -0.307 0.000 1.226 358 Q HN 0.886 nan 8.270 nan 0.000 0.476 359 G N 0.240 108.946 108.800 -0.158 0.000 3.013 359 G HA2 0.430 4.390 3.960 -0.000 0.000 0.278 359 G HA3 0.430 4.390 3.960 -0.000 0.000 0.278 359 G C 0.643 175.558 174.900 0.025 0.000 1.353 359 G CA -0.287 44.824 45.100 0.017 0.000 1.043 359 G HN 0.557 nan 8.290 nan 0.000 0.523 360 V N -1.638 118.303 119.914 0.044 0.000 2.380 360 V HA -0.164 3.956 4.120 -0.000 0.000 0.251 360 V C 2.611 178.736 176.094 0.051 0.000 1.063 360 V CA 2.775 65.061 62.300 -0.024 0.000 1.055 360 V CB -1.693 29.932 31.823 -0.329 0.000 0.657 360 V HN 0.844 nan 8.190 nan 0.000 0.455 361 T N -2.647 111.912 114.554 0.009 0.000 3.051 361 T HA 0.395 4.745 4.350 -0.000 0.000 0.269 361 T C 1.390 176.055 174.700 -0.058 0.000 1.127 361 T CA 1.207 63.277 62.100 -0.049 0.000 1.107 361 T CB -0.448 68.364 68.868 -0.095 0.000 0.898 361 T HN 1.747 nan 8.240 nan 0.000 0.517 362 G N 1.120 109.914 108.800 -0.010 0.000 2.578 362 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.232 362 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.232 362 G C -0.547 174.371 174.900 0.030 0.000 1.176 362 G CA -0.313 44.792 45.100 0.009 0.000 0.968 362 G HN 0.590 nan 8.290 nan 0.000 0.583 363 Y N 2.288 122.551 120.300 -0.062 0.000 2.587 363 Y HA 0.534 5.084 4.550 -0.000 0.000 0.344 363 Y C 0.520 176.397 175.900 -0.039 0.000 1.061 363 Y CA 0.087 58.157 58.100 -0.049 0.000 1.370 363 Y CB 0.102 38.529 38.460 -0.056 0.000 1.163 363 Y HN 0.855 nan 8.280 nan 0.000 0.527 364 L N 5.132 126.084 121.223 -0.452 0.000 2.356 364 L HA 0.691 5.031 4.340 -0.000 0.000 0.277 364 L C -1.388 175.154 176.870 -0.548 0.000 0.996 364 L CA -1.146 53.465 54.840 -0.383 0.000 0.822 364 L CB 1.885 43.860 42.059 -0.139 0.000 1.256 364 L HN 0.452 nan 8.230 nan 0.000 0.413 365 K N 4.610 124.726 120.400 -0.473 0.000 2.358 365 K HA 0.601 4.921 4.320 -0.000 0.000 0.260 365 K C -1.132 175.360 176.600 -0.180 0.000 0.956 365 K CA -0.491 55.602 56.287 -0.324 0.000 0.834 365 K CB 1.068 33.431 32.500 -0.229 0.000 1.102 365 K HN 0.710 nan 8.250 nan 0.000 0.431 366 I N 4.947 125.431 120.570 -0.144 0.000 2.352 366 I HA 0.092 4.262 4.170 -0.000 0.000 0.290 366 I C 0.485 176.517 176.117 -0.142 0.000 1.036 366 I CA -0.393 60.813 61.300 -0.156 0.000 1.336 366 I CB 0.583 38.511 38.000 -0.120 0.000 1.407 366 I HN 0.863 nan 8.210 nan 0.000 0.497 367 D N 6.872 127.158 120.400 -0.189 0.000 2.356 367 D HA 0.092 4.732 4.640 -0.000 0.000 0.258 367 D C 0.968 177.174 176.300 -0.157 0.000 1.279 367 D CA -0.249 53.663 54.000 -0.146 0.000 1.016 367 D CB 0.581 41.302 40.800 -0.132 0.000 1.107 367 D HN 0.339 nan 8.370 nan 0.000 0.544 368 R N -1.315 119.132 120.500 -0.088 0.000 2.235 368 R HA -0.047 4.293 4.340 -0.000 0.000 0.213 368 R C 1.060 177.320 176.300 -0.068 0.000 1.059 368 R CA 0.774 56.874 56.100 -0.000 0.000 0.997 368 R CB -0.391 29.929 30.300 0.033 0.000 0.884 368 R HN 0.480 nan 8.270 nan 0.000 0.462 369 N N -0.818 117.685 118.700 -0.329 0.000 2.299 369 N HA 0.008 4.748 4.740 -0.000 0.000 0.187 369 N C 0.524 175.181 175.510 -1.422 0.000 1.099 369 N CA 0.805 53.520 53.050 -0.558 0.000 0.867 369 N CB 0.928 39.230 38.487 -0.308 0.000 0.974 369 N HN 0.261 nan 8.380 nan 0.000 0.477 370 G N -0.300 107.500 108.800 -1.666 0.000 2.138 370 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.193 370 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.193 370 G C -1.064 173.342 174.900 -0.823 0.000 0.998 370 G CA -0.147 43.722 45.100 -2.050 0.000 0.668 370 G HN 0.331 nan 8.290 nan 0.000 0.516 371 D N -0.155 119.909 120.400 -0.559 0.000 2.481 371 D HA 0.402 5.041 4.640 -0.000 0.000 0.244 371 D C 0.247 176.392 176.300 -0.258 0.000 1.057 371 D CA -0.686 53.106 54.000 -0.347 0.000 0.848 371 D CB 1.379 42.011 40.800 -0.280 0.000 1.388 371 D HN 0.204 nan 8.370 nan 0.000 0.475 372 R N 1.749 122.117 120.500 -0.221 0.000 2.449 372 R HA 0.004 4.344 4.340 -0.000 0.000 0.296 372 R C -0.598 175.615 176.300 -0.145 0.000 1.047 372 R CA -0.158 55.831 56.100 -0.185 0.000 1.018 372 R CB 0.350 30.534 30.300 -0.192 0.000 0.962 372 R HN 0.354 nan 8.270 nan 0.000 0.428 373 D N 2.717 123.051 120.400 -0.110 0.000 2.424 373 D HA 0.056 4.696 4.640 -0.000 0.000 0.244 373 D C -0.444 175.824 176.300 -0.055 0.000 1.134 373 D CA 0.696 54.673 54.000 -0.038 0.000 0.881 373 D CB 1.203 42.000 40.800 -0.004 0.000 1.191 373 D HN 0.418 nan 8.370 nan 0.000 0.445 374 T N 2.187 116.746 114.554 0.009 0.000 2.824 374 T HA 0.323 4.673 4.350 -0.000 0.000 0.280 374 T C -0.304 174.352 174.700 -0.073 0.000 0.995 374 T CA -0.801 61.210 62.100 -0.149 0.000 1.009 374 T CB 1.357 70.087 68.868 -0.229 0.000 0.955 374 T HN 0.117 nan 8.240 nan 0.000 0.452 375 D N 1.068 121.315 120.400 -0.255 0.000 2.193 375 D HA 0.629 5.269 4.640 -0.000 0.000 0.249 375 D C -0.891 175.183 176.300 -0.377 0.000 1.034 375 D CA -0.036 53.903 54.000 -0.102 0.000 0.902 375 D CB 0.829 41.569 40.800 -0.100 0.000 1.182 375 D HN 0.318 nan 8.370 nan 0.000 0.436 376 F N 0.148 120.100 119.950 0.002 0.000 2.565 376 F HA 0.441 4.968 4.527 0.000 0.000 0.313 376 F C 0.167 175.825 175.800 -0.236 0.000 1.091 376 F CA -0.813 57.096 58.000 -0.152 0.000 0.915 376 F CB 1.994 40.700 39.000 -0.491 0.000 1.208 376 F HN 0.057 nan 8.300 nan 0.000 0.453 377 S N 2.572 118.318 115.700 0.077 0.000 2.475 377 S HA 0.591 5.061 4.470 -0.000 0.000 0.298 377 S C -1.200 173.481 174.600 0.135 0.000 1.119 377 S CA -0.512 57.690 58.200 0.002 0.000 1.085 377 S CB 1.482 64.625 63.200 -0.094 0.000 1.028 377 S HN 0.499 nan 8.310 nan 0.000 0.489 378 L N 4.416 125.712 121.223 0.123 0.000 2.277 378 L HA 0.562 4.902 4.340 -0.000 0.000 0.284 378 L C -1.396 175.648 176.870 0.290 0.000 1.028 378 L CA -0.302 54.748 54.840 0.351 0.000 0.835 378 L CB -0.010 42.326 42.059 0.460 0.000 1.215 378 L HN 0.637 nan 8.230 nan 0.000 0.425 379 W N 3.856 125.298 121.300 0.237 0.000 2.161 379 W HA 0.523 5.183 4.660 -0.000 0.000 0.344 379 W C 0.197 176.971 176.519 0.425 0.000 1.262 379 W CA 0.014 57.523 57.345 0.274 0.000 1.270 379 W CB 0.512 30.123 29.460 0.252 0.000 1.126 379 W HN 0.520 nan 8.180 nan 0.000 0.598 380 D N 0.332 121.148 120.400 0.693 0.000 2.609 380 D HA 0.313 4.953 4.640 -0.000 0.000 0.239 380 D C -1.274 174.944 176.300 -0.138 0.000 1.229 380 D CA -0.842 53.407 54.000 0.415 0.000 0.808 380 D CB 1.579 42.466 40.800 0.144 0.000 1.448 380 D HN 0.317 nan 8.370 nan 0.000 0.433 381 M N 1.260 120.462 119.600 -0.663 0.000 2.288 381 M HA 0.258 4.738 4.480 -0.000 0.000 0.334 381 M C -0.723 175.375 176.300 -0.338 0.000 1.150 381 M CA -0.381 54.428 55.300 -0.817 0.000 1.118 381 M CB 1.046 33.136 32.600 -0.850 0.000 1.501 381 M HN 0.289 nan 8.290 nan 0.000 0.462 382 D N 4.472 124.733 120.400 -0.232 0.000 2.316 382 D HA 0.225 4.865 4.640 -0.000 0.000 0.245 382 D C -1.955 174.251 176.300 -0.157 0.000 1.171 382 D CA -1.689 52.242 54.000 -0.115 0.000 0.856 382 D CB 1.540 42.323 40.800 -0.028 0.000 1.090 382 D HN 0.330 nan 8.370 nan 0.000 0.476 383 P HA -0.132 nan 4.420 nan 0.000 0.220 383 P C 0.744 177.985 177.300 -0.099 0.000 1.144 383 P CA 1.038 64.025 63.100 -0.189 0.000 0.800 383 P CB 0.586 32.260 31.700 -0.045 0.000 0.772 384 E N -1.775 118.397 120.200 -0.047 0.000 2.052 384 E HA -0.031 4.319 4.350 -0.000 0.000 0.192 384 E C 2.033 178.623 176.600 -0.016 0.000 0.958 384 E CA 1.435 57.824 56.400 -0.019 0.000 0.835 384 E CB -1.373 28.333 29.700 0.009 0.000 0.811 384 E HN 0.132 nan 8.360 nan 0.000 0.462 385 T N -1.380 113.176 114.554 0.003 0.000 3.009 385 T HA 0.128 4.478 4.350 -0.000 0.000 0.258 385 T C 1.373 176.099 174.700 0.044 0.000 1.063 385 T CA 1.904 64.023 62.100 0.032 0.000 1.139 385 T CB -0.110 68.793 68.868 0.057 0.000 0.890 385 T HN 0.398 nan 8.240 nan 0.000 0.471 386 G N 0.765 109.564 108.800 -0.001 0.000 2.175 386 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.244 386 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.244 386 G C 0.263 175.253 174.900 0.151 0.000 0.982 386 G CA 0.169 45.266 45.100 -0.007 0.000 0.641 386 G HN 1.099 nan 8.290 nan 0.000 0.527 387 A N -0.037 122.872 122.820 0.149 0.000 2.363 387 A HA 0.731 5.051 4.320 -0.000 0.000 0.270 387 A C 0.007 177.669 177.584 0.130 0.000 1.121 387 A CA -0.326 51.828 52.037 0.194 0.000 0.800 387 A CB 0.310 19.398 19.000 0.146 0.000 1.052 387 A HN 0.563 nan 8.150 nan 0.000 0.493 388 F N 2.505 122.584 119.950 0.214 0.000 2.429 388 F HA 0.497 5.024 4.527 -0.000 0.000 0.348 388 F C 1.334 177.373 175.800 0.399 0.000 1.109 388 F CA 0.844 59.017 58.000 0.289 0.000 1.232 388 F CB 0.959 40.130 39.000 0.286 0.000 1.157 388 F HN 0.680 nan 8.300 nan 0.000 0.564 389 R N 1.924 122.764 120.500 0.566 0.000 2.579 389 R HA 0.329 4.669 4.340 -0.000 0.000 0.260 389 R C -1.982 174.274 176.300 -0.073 0.000 1.103 389 R CA -0.805 55.490 56.100 0.324 0.000 0.942 389 R CB 0.041 30.399 30.300 0.096 0.000 1.251 389 R HN 0.361 nan 8.270 nan 0.000 0.450 390 V N 3.335 122.852 119.914 -0.662 0.000 2.621 390 V HA -0.115 4.005 4.120 -0.000 0.000 0.300 390 V C 1.723 177.612 176.094 -0.342 0.000 1.031 390 V CA 0.992 62.873 62.300 -0.699 0.000 1.210 390 V CB 0.251 31.591 31.823 -0.805 0.000 0.864 390 V HN 0.698 nan 8.190 nan 0.000 0.477 391 V N 3.135 122.936 119.914 -0.189 0.000 3.570 391 V HA 0.489 4.609 4.120 -0.000 0.000 0.257 391 V C 0.338 176.437 176.094 0.008 0.000 1.272 391 V CA 0.394 62.623 62.300 -0.119 0.000 1.079 391 V CB 0.307 32.085 31.823 -0.075 0.000 0.829 391 V HN 0.525 nan 8.190 nan 0.000 0.454 392 L N 0.903 122.137 121.223 0.018 0.000 2.350 392 L HA 0.677 5.017 4.340 -0.000 0.000 0.260 392 L C -1.223 175.662 176.870 0.026 0.000 1.015 392 L CA -0.522 54.363 54.840 0.075 0.000 0.821 392 L CB 2.359 44.526 42.059 0.181 0.000 1.370 392 L HN 0.237 nan 8.230 nan 0.000 0.416 393 N N 1.222 119.951 118.700 0.049 0.000 2.369 393 N HA 0.240 4.980 4.740 -0.000 0.000 0.287 393 N C -2.151 173.405 175.510 0.077 0.000 1.067 393 N CA -0.372 52.688 53.050 0.016 0.000 0.888 393 N CB 2.437 40.910 38.487 -0.023 0.000 1.616 393 N HN 0.466 nan 8.380 nan 0.000 0.482 394 Y N 3.022 123.268 120.300 -0.091 0.000 2.328 394 Y HA 0.380 4.930 4.550 -0.000 0.000 0.336 394 Y C -0.527 175.369 175.900 -0.006 0.000 0.960 394 Y CA -0.730 57.349 58.100 -0.036 0.000 1.134 394 Y CB 0.716 39.102 38.460 -0.124 0.000 1.166 394 Y HN 0.406 nan 8.280 nan 0.000 0.464 395 N N 4.088 122.497 118.700 -0.485 0.000 2.401 395 N HA 0.142 4.882 4.740 -0.000 0.000 0.255 395 N C 0.993 176.112 175.510 -0.653 0.000 1.110 395 N CA 0.771 53.577 53.050 -0.406 0.000 0.949 395 N CB 1.570 39.903 38.487 -0.256 0.000 1.110 395 N HN 1.109 nan 8.380 nan 0.000 0.490 396 G N 2.487 111.107 108.800 -0.300 0.000 2.476 396 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.218 396 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.218 396 G C 1.153 176.015 174.900 -0.063 0.000 1.164 396 G CA 1.283 46.344 45.100 -0.065 0.000 0.768 396 G HN 0.586 nan 8.290 nan 0.000 0.560 397 T N 0.508 115.044 114.554 -0.031 0.000 2.851 397 T HA -0.063 4.287 4.350 -0.000 0.000 0.262 397 T C 2.780 177.458 174.700 -0.036 0.000 1.043 397 T CA 1.666 63.781 62.100 0.024 0.000 1.140 397 T CB -0.217 68.752 68.868 0.168 0.000 0.872 397 T HN 0.480 nan 8.240 nan 0.000 0.446 398 S N 0.592 116.224 115.700 -0.113 0.000 2.461 398 S HA -0.082 4.388 4.470 -0.000 0.000 0.228 398 S C 1.307 175.826 174.600 -0.134 0.000 1.005 398 S CA 0.639 58.768 58.200 -0.119 0.000 0.942 398 S CB -0.354 62.761 63.200 -0.142 0.000 0.776 398 S HN 0.451 nan 8.310 nan 0.000 0.514 399 Q N -0.480 119.165 119.800 -0.259 0.000 2.284 399 Q HA -0.196 4.144 4.340 -0.000 0.000 0.205 399 Q C -0.730 175.220 176.000 -0.084 0.000 0.682 399 Q CA 1.496 57.189 55.803 -0.184 0.000 1.401 399 Q CB -1.604 27.161 28.738 0.046 0.000 1.643 399 Q HN 0.790 nan 8.270 nan 0.000 0.717 400 E N 0.066 120.174 120.200 -0.153 0.000 2.222 400 E HA 0.588 4.938 4.350 -0.000 0.000 0.272 400 E C -0.423 176.172 176.600 -0.008 0.000 0.982 400 E CA -0.557 55.828 56.400 -0.025 0.000 0.842 400 E CB 1.097 30.782 29.700 -0.025 0.000 1.144 400 E HN 0.073 nan 8.360 nan 0.000 0.397 401 L N 2.425 123.711 121.223 0.105 0.000 2.309 401 L HA 0.463 4.803 4.340 -0.000 0.000 0.282 401 L C -0.389 176.530 176.870 0.080 0.000 1.036 401 L CA -0.492 54.435 54.840 0.145 0.000 0.806 401 L CB 0.890 43.089 42.059 0.234 0.000 1.220 401 L HN 0.341 nan 8.230 nan 0.000 0.429 402 M N 2.342 121.979 119.600 0.062 0.000 2.326 402 M HA 0.498 4.978 4.480 -0.000 0.000 0.306 402 M C -0.209 176.121 176.300 0.050 0.000 1.054 402 M CA -0.634 54.689 55.300 0.039 0.000 0.922 402 M CB 1.982 34.584 32.600 0.004 0.000 1.632 402 M HN 0.682 nan 8.290 nan 0.000 0.436 403 A N 3.250 126.103 122.820 0.055 0.000 2.386 403 A HA 0.595 4.915 4.320 -0.000 0.000 0.246 403 A C -0.388 177.230 177.584 0.057 0.000 1.089 403 A CA -0.350 51.729 52.037 0.069 0.000 0.790 403 A CB 0.350 19.394 19.000 0.074 0.000 1.042 403 A HN 0.622 nan 8.150 nan 0.000 0.497 404 V N 0.993 120.959 119.914 0.086 0.000 2.487 404 V HA 0.429 4.549 4.120 -0.000 0.000 0.298 404 V C 0.386 176.588 176.094 0.180 0.000 1.028 404 V CA 0.234 62.586 62.300 0.087 0.000 0.860 404 V CB 0.928 32.772 31.823 0.035 0.000 0.991 404 V HN 1.336 nan 8.190 nan 0.000 0.427 405 S N 2.979 118.726 115.700 0.078 0.000 3.614 405 S HA -0.204 4.266 4.470 -0.000 0.000 0.360 405 S C 0.700 175.225 174.600 -0.125 0.000 1.023 405 S CA 1.109 59.307 58.200 -0.003 0.000 1.114 405 S CB -1.320 61.897 63.200 0.028 0.000 0.907 405 S HN 1.220 nan 8.310 nan 0.000 0.470 406 E N -1.110 119.064 120.200 -0.044 0.000 2.403 406 E HA -0.257 4.093 4.350 -0.000 0.000 0.241 406 E C 0.141 176.699 176.600 -0.071 0.000 1.201 406 E CA 1.110 57.482 56.400 -0.048 0.000 0.721 406 E CB -0.960 28.704 29.700 -0.060 0.000 1.245 406 E HN 0.884 nan 8.360 nan 0.000 0.392 407 H N -0.419 118.658 119.070 0.012 0.000 2.597 407 H HA 0.447 5.003 4.556 -0.000 0.000 0.370 407 H C 0.123 175.465 175.328 0.023 0.000 1.281 407 H CA 0.126 56.184 56.048 0.015 0.000 1.422 407 H CB 0.814 30.582 29.762 0.011 0.000 1.524 407 H HN -0.086 nan 8.280 nan 0.000 0.607 408 K N 1.042 121.557 120.400 0.191 0.000 2.482 408 K HA 0.270 4.590 4.320 -0.000 0.000 0.251 408 K C -1.525 175.096 176.600 0.035 0.000 0.936 408 K CA -0.762 55.586 56.287 0.101 0.000 0.791 408 K CB 1.605 34.154 32.500 0.081 0.000 1.213 408 K HN 0.214 nan 8.250 nan 0.000 0.428 409 L N 2.522 123.715 121.223 -0.051 0.000 2.462 409 L HA 0.235 4.575 4.340 -0.000 0.000 0.272 409 L C 0.043 176.594 176.870 -0.533 0.000 1.166 409 L CA -0.223 54.455 54.840 -0.270 0.000 0.880 409 L CB -0.690 41.163 42.059 -0.344 0.000 1.142 409 L HN 0.443 nan 8.230 nan 0.000 0.473 410 Y N 3.030 123.026 120.300 -0.506 0.000 2.620 410 Y HA 0.234 4.784 4.550 -0.000 0.000 0.330 410 Y C -0.861 174.686 175.900 -0.588 0.000 1.186 410 Y CA -0.301 57.563 58.100 -0.393 0.000 1.467 410 Y CB 0.274 38.609 38.460 -0.209 0.000 1.262 410 Y HN 0.571 nan 8.280 nan 0.000 0.550 411 W N 8.687 129.533 121.300 -0.756 0.000 2.687 411 W HA 0.313 4.973 4.660 -0.000 0.000 0.328 411 W C -1.924 174.132 176.519 -0.772 0.000 1.012 411 W CA -1.836 55.172 57.345 -0.563 0.000 1.262 411 W CB 1.557 30.902 29.460 -0.192 0.000 1.331 411 W HN 0.427 nan 8.180 nan 0.000 0.433 412 P HA -0.168 nan 4.420 nan 0.000 0.216 412 P C 0.793 178.059 177.300 -0.056 0.000 1.150 412 P CA 1.446 64.440 63.100 -0.176 0.000 0.843 412 P CB 0.351 32.106 31.700 0.092 0.000 0.787 413 L N -2.338 118.873 121.223 -0.021 0.000 2.848 413 L HA 0.350 4.690 4.340 -0.000 0.000 0.240 413 L C 1.610 178.376 176.870 -0.173 0.000 1.232 413 L CA 0.224 55.029 54.840 -0.058 0.000 1.031 413 L CB -0.765 41.291 42.059 -0.004 0.000 1.338 413 L HN 0.151 nan 8.230 nan 0.000 0.509 414 G N 0.419 109.151 108.800 -0.113 0.000 5.155 414 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.239 414 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.239 414 G C 0.085 174.982 174.900 -0.004 0.000 1.409 414 G CA 0.450 45.470 45.100 -0.133 0.000 0.927 414 G HN 0.340 nan 8.290 nan 0.000 0.710 415 Y N 2.317 122.581 120.300 -0.060 0.000 2.310 415 Y HA 0.710 5.260 4.550 -0.000 0.000 0.326 415 Y C -2.045 173.546 175.900 -0.514 0.000 1.151 415 Y CA -4.082 53.889 58.100 -0.214 0.000 1.195 415 Y CB -0.363 37.988 38.460 -0.181 0.000 1.210 415 Y HN 0.303 nan 8.280 nan 0.000 0.483 416 P HA -0.022 nan 4.420 nan 0.000 0.264 416 P C -2.475 174.474 177.300 -0.586 0.000 1.179 416 P CA -0.553 61.526 63.100 -1.701 0.000 0.763 416 P CB 0.042 30.662 31.700 -1.800 0.000 0.806 417 P HA 0.115 nan 4.420 nan 0.000 0.268 417 P C -2.324 174.985 177.300 0.014 0.000 1.205 417 P CA -1.315 61.725 63.100 -0.099 0.000 0.771 417 P CB -0.800 30.855 31.700 -0.074 0.000 0.858 418 P HA 0.026 nan 4.420 nan 0.000 0.271 418 P C 0.238 177.498 177.300 -0.067 0.000 1.218 418 P CA 0.119 63.207 63.100 -0.021 0.000 0.780 418 P CB 0.446 32.069 31.700 -0.127 0.000 0.901 419 D N 1.034 121.449 120.400 0.026 0.000 2.344 419 D HA 0.085 4.725 4.640 -0.000 0.000 0.242 419 D C -0.075 176.215 176.300 -0.017 0.000 1.159 419 D CA -0.226 53.705 54.000 -0.115 0.000 0.859 419 D CB -0.361 40.394 40.800 -0.074 0.000 0.925 419 D HN 0.015 nan 8.370 nan 0.000 0.510 420 V N -0.081 119.730 119.914 -0.171 0.000 3.012 420 V HA 0.397 4.517 4.120 -0.000 0.000 0.307 420 V C -2.447 173.346 176.094 -0.502 0.000 1.166 420 V CA -1.685 60.382 62.300 -0.388 0.000 0.974 420 V CB 2.682 34.297 31.823 -0.347 0.000 1.040 420 V HN -0.088 nan 8.190 nan 0.000 0.428 421 P HA 0.378 nan 4.420 nan 0.000 0.277 421 P C 0.450 177.547 177.300 -0.338 0.000 1.271 421 P CA -0.568 62.224 63.100 -0.513 0.000 0.795 421 P CB 0.709 32.059 31.700 -0.583 0.000 1.101 422 K N -0.191 120.065 120.400 -0.239 0.000 2.063 422 K HA -0.095 4.224 4.320 -0.000 0.000 0.208 422 K C 1.132 177.643 176.600 -0.149 0.000 1.048 422 K CA 1.667 57.854 56.287 -0.167 0.000 0.928 422 K CB -1.123 31.305 32.500 -0.120 0.000 0.713 422 K HN 0.410 nan 8.250 nan 0.000 0.442 423 C N 0.118 119.330 119.300 -0.147 0.000 3.125 423 C HA 0.407 4.867 4.460 -0.000 0.000 0.284 423 C C 0.658 175.578 174.990 -0.117 0.000 1.386 423 C CA -0.029 58.923 59.018 -0.110 0.000 1.763 423 C CB -0.419 27.276 27.740 -0.074 0.000 2.377 423 C HN 0.680 nan 8.230 nan 0.000 0.620 424 G N 0.513 109.199 108.800 -0.188 0.000 2.629 424 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.686 424 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.686 424 G C -0.532 174.260 174.900 -0.179 0.000 1.232 424 G CA -0.949 44.047 45.100 -0.175 0.000 0.803 424 G HN 0.099 nan 8.290 nan 0.000 0.638 425 F N 0.000 119.922 119.950 -0.047 0.000 2.286 425 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 425 F CA 0.000 57.983 58.000 -0.028 0.000 1.383 425 F CB 0.000 38.989 39.000 -0.018 0.000 1.145 425 F HN 0.000 nan 8.300 nan 0.000 0.574