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 1i74_1_B DATA FIRST_RESID 1 DATA SEQUENCE SKILVFGHQN PDSDAIGSSX AYAYLKRQLG VDAQAVALGN PNEETAFVLD DATA SEQUENCE YFGIQAPPVV KSAQAEGAKQ VILTDHNEFQ QSIADIREVE VVEVVDHHRV DATA SEQUENCE ANFETANPLY XRLEPVGSAS SIVYRLYKEN GVAIPKEIAG VXLSGLISDT DATA SEQUENCE LLLKSPTTHA SDPAVAEDLA KIAGVDLQEY GLAXLKAGTN LASKTAAQLV DATA SEQUENCE DIDAKTFELN GSQVRVAQVN TVDINEVLER QNEIEEAIKA SQAANGYSDF DATA SEQUENCE VLXITDILNS NSEILALGNN TDKVEAAFNF TLKNNHAFLA GAVSRKKQVV DATA SEQUENCE PQLTESFNG 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 0.000 174.601 174.600 0.002 0.000 1.055 1 S CA 0.000 58.197 58.200 -0.005 0.000 1.107 1 S CB 0.000 63.199 63.200 -0.002 0.000 0.593 2 K N 0.647 121.048 120.400 0.001 0.000 5.905 2 K HA -0.089 4.232 4.320 0.001 0.000 0.743 2 K C -1.281 175.334 176.600 0.025 0.000 1.570 2 K CA 0.673 56.967 56.287 0.012 0.000 1.628 2 K CB -1.773 30.737 32.500 0.016 0.000 2.100 2 K HN 0.762 nan 8.250 nan 0.000 0.325 3 I N 5.013 125.598 120.570 0.024 0.000 2.406 3 I HA 0.320 4.490 4.170 0.001 0.000 0.290 3 I C -0.044 176.115 176.117 0.071 0.000 0.999 3 I CA -1.392 59.932 61.300 0.041 0.000 1.124 3 I CB 1.132 39.141 38.000 0.014 0.000 1.289 3 I HN 0.227 nan 8.210 nan 0.000 0.441 4 L N 7.141 128.443 121.223 0.132 0.000 2.350 4 L HA 0.435 4.776 4.340 0.001 0.000 0.275 4 L C -0.132 176.851 176.870 0.188 0.000 1.099 4 L CA -0.314 54.661 54.840 0.225 0.000 0.808 4 L CB 1.487 43.762 42.059 0.360 0.000 1.149 4 L HN 0.248 nan 8.230 nan 0.000 0.442 5 V N 4.547 124.578 119.914 0.194 0.000 2.407 5 V HA 0.625 4.745 4.120 0.001 0.000 0.291 5 V C -0.600 175.605 176.094 0.184 0.000 1.018 5 V CA -0.571 61.764 62.300 0.057 0.000 0.842 5 V CB 0.996 32.879 31.823 0.100 0.000 0.996 5 V HN 0.606 nan 8.190 nan 0.000 0.426 6 F N 1.915 121.949 119.950 0.140 0.000 2.662 6 F HA 0.967 5.495 4.527 0.001 0.000 0.312 6 F C 0.391 176.297 175.800 0.177 0.000 1.113 6 F CA -0.814 57.261 58.000 0.124 0.000 0.951 6 F CB 1.111 40.163 39.000 0.087 0.000 1.344 6 F HN 0.608 nan 8.300 nan 0.000 0.462 7 G N -0.677 108.308 108.800 0.308 0.000 2.543 7 G HA2 0.490 4.450 3.960 0.001 0.000 0.267 7 G HA3 0.490 4.450 3.960 0.001 0.000 0.267 7 G C -1.166 173.717 174.900 -0.029 0.000 1.406 7 G CA -0.537 44.647 45.100 0.140 0.000 1.048 7 G HN 1.059 nan 8.290 nan 0.000 0.548 8 H N -1.492 117.480 119.070 -0.164 0.000 2.508 8 H HA 0.493 5.050 4.556 0.001 0.000 0.358 8 H C 0.302 175.534 175.328 -0.160 0.000 1.212 8 H CA -0.760 55.032 56.048 -0.427 0.000 1.356 8 H CB 0.211 29.759 29.762 -0.356 0.000 1.525 8 H HN 0.421 nan 8.280 nan 0.000 0.578 9 Q N 0.588 120.415 119.800 0.046 0.000 2.479 9 Q HA -0.020 4.320 4.340 0.001 0.000 0.267 9 Q C -0.134 175.960 176.000 0.156 0.000 1.071 9 Q CA 0.071 55.903 55.803 0.049 0.000 0.935 9 Q CB 0.146 28.892 28.738 0.014 0.000 1.295 9 Q HN 0.701 nan 8.270 nan 0.000 0.476 10 N N -0.612 118.140 118.700 0.087 0.000 2.696 10 N HA -0.122 4.618 4.740 0.001 0.000 0.256 10 N C -2.650 172.959 175.510 0.165 0.000 1.031 10 N CA 0.358 53.469 53.050 0.103 0.000 0.730 10 N CB -1.537 37.005 38.487 0.091 0.000 0.894 10 N HN 0.382 nan 8.380 nan 0.000 0.544 11 P HA 0.041 nan 4.420 nan 0.000 0.266 11 P C 0.169 177.494 177.300 0.042 0.000 1.195 11 P CA 0.238 63.297 63.100 -0.068 0.000 0.768 11 P CB 0.551 32.196 31.700 -0.092 0.000 0.838 12 D N -0.254 120.180 120.400 0.058 0.000 2.567 12 D HA 0.254 4.895 4.640 0.001 0.000 0.275 12 D C 0.985 177.330 176.300 0.075 0.000 1.195 12 D CA -0.576 53.491 54.000 0.111 0.000 1.087 12 D CB -0.387 40.523 40.800 0.183 0.000 1.165 12 D HN 0.035 nan 8.370 nan 0.000 0.609 13 S N -0.856 114.900 115.700 0.092 0.000 2.368 13 S HA -0.171 4.299 4.470 0.001 0.000 0.225 13 S C 1.326 175.974 174.600 0.080 0.000 1.030 13 S CA 1.502 59.757 58.200 0.091 0.000 0.999 13 S CB -0.448 62.814 63.200 0.103 0.000 0.844 13 S HN 0.631 nan 8.310 nan 0.000 0.459 14 D N 1.423 121.879 120.400 0.093 0.000 2.117 14 D HA -0.033 4.608 4.640 0.001 0.000 0.197 14 D C 1.969 178.317 176.300 0.080 0.000 0.987 14 D CA 1.225 55.280 54.000 0.092 0.000 0.829 14 D CB -0.287 40.597 40.800 0.140 0.000 0.961 14 D HN 0.310 nan 8.370 nan 0.000 0.460 15 A N 0.393 123.233 122.820 0.033 0.000 1.877 15 A HA -0.133 4.188 4.320 0.001 0.000 0.216 15 A C 2.223 179.809 177.584 0.002 0.000 1.186 15 A CA 1.186 53.182 52.037 -0.069 0.000 0.620 15 A CB -0.602 18.139 19.000 -0.431 0.000 0.822 15 A HN 0.291 nan 8.150 nan 0.000 0.443 16 I N -0.143 120.437 120.570 0.016 0.000 2.163 16 I HA -0.150 4.020 4.170 0.001 0.000 0.240 16 I C 2.763 178.923 176.117 0.072 0.000 1.081 16 I CA 1.555 62.886 61.300 0.052 0.000 1.353 16 I CB -2.060 35.974 38.000 0.057 0.000 1.054 16 I HN 0.346 nan 8.210 nan 0.000 0.407 17 G N 1.098 109.937 108.800 0.065 0.000 2.446 17 G HA2 -0.280 3.681 3.960 0.001 0.000 0.217 17 G HA3 -0.280 3.681 3.960 0.001 0.000 0.217 17 G C 1.816 176.764 174.900 0.080 0.000 1.168 17 G CA 1.519 46.653 45.100 0.057 0.000 0.771 17 G HN 0.526 nan 8.290 nan 0.000 0.551 18 S N 0.735 116.486 115.700 0.085 0.000 2.382 18 S HA -0.025 4.446 4.470 0.001 0.000 0.228 18 S C 1.750 176.448 174.600 0.163 0.000 1.027 18 S CA 1.116 59.382 58.200 0.109 0.000 0.991 18 S CB -0.611 62.637 63.200 0.080 0.000 0.823 18 S HN 0.604 nan 8.310 nan 0.000 0.469 22 Y N 1.769 122.207 120.300 0.230 0.000 2.181 22 Y HA 0.059 4.610 4.550 0.001 0.000 0.288 22 Y C 2.714 178.666 175.900 0.086 0.000 1.146 22 Y CA 1.921 60.107 58.100 0.143 0.000 1.164 22 Y CB -0.490 38.026 38.460 0.092 0.000 0.982 22 Y HN 0.433 nan 8.280 nan 0.000 0.515 23 A N -0.821 122.062 122.820 0.105 0.000 1.902 23 A HA -0.273 4.048 4.320 0.001 0.000 0.217 23 A C 2.172 179.744 177.584 -0.020 0.000 1.181 23 A CA 1.771 53.807 52.037 -0.001 0.000 0.623 23 A CB -1.572 17.479 19.000 0.085 0.000 0.818 23 A HN 0.646 nan 8.150 nan 0.000 0.443 24 Y N 0.072 120.373 120.300 0.002 0.000 2.128 24 Y HA -0.180 4.371 4.550 0.001 0.000 0.284 24 Y C 2.047 177.897 175.900 -0.084 0.000 1.154 24 Y CA 1.808 59.917 58.100 0.014 0.000 1.149 24 Y CB -0.301 38.233 38.460 0.124 0.000 0.976 24 Y HN 0.252 nan 8.280 nan 0.000 0.505 25 L N 0.096 121.241 121.223 -0.129 0.000 2.012 25 L HA -0.289 4.051 4.340 0.001 0.000 0.210 25 L C 2.348 178.923 176.870 -0.490 0.000 1.073 25 L CA 1.682 56.228 54.840 -0.490 0.000 0.748 25 L CB -0.396 41.237 42.059 -0.711 0.000 0.891 25 L HN 0.190 nan 8.230 nan 0.000 0.431 26 K N -0.026 120.071 120.400 -0.504 0.000 2.063 26 K HA -0.197 4.124 4.320 0.001 0.000 0.208 26 K C 2.034 178.443 176.600 -0.319 0.000 1.048 26 K CA 1.384 57.414 56.287 -0.427 0.000 0.928 26 K CB -0.518 31.737 32.500 -0.409 0.000 0.713 26 K HN 0.399 nan 8.250 nan 0.000 0.442 27 R N 0.766 121.077 120.500 -0.314 0.000 2.091 27 R HA -0.109 4.231 4.340 0.001 0.000 0.238 27 R C 2.179 178.295 176.300 -0.308 0.000 1.136 27 R CA 1.122 57.054 56.100 -0.278 0.000 0.959 27 R CB -0.131 30.004 30.300 -0.274 0.000 0.856 27 R HN 0.218 nan 8.270 nan 0.000 0.437 28 Q N 0.406 119.955 119.800 -0.418 0.000 2.291 28 Q HA -0.056 4.284 4.340 0.001 0.000 0.206 28 Q C 1.746 177.603 176.000 -0.238 0.000 0.976 28 Q CA 1.030 56.630 55.803 -0.337 0.000 0.875 28 Q CB 0.002 28.524 28.738 -0.360 0.000 0.927 28 Q HN 0.407 nan 8.270 nan 0.000 0.450 29 L N -0.959 120.113 121.223 -0.252 0.000 2.628 29 L HA 0.220 4.560 4.340 0.001 0.000 0.229 29 L C 0.846 177.616 176.870 -0.166 0.000 1.137 29 L CA 0.369 55.087 54.840 -0.203 0.000 0.909 29 L CB -0.091 41.830 42.059 -0.231 0.000 1.137 29 L HN 0.327 nan 8.230 nan 0.000 0.470 30 G N 0.337 109.040 108.800 -0.162 0.000 2.141 30 G HA2 -0.237 3.724 3.960 0.001 0.000 0.242 30 G HA3 -0.237 3.724 3.960 0.001 0.000 0.242 30 G C 0.101 174.930 174.900 -0.118 0.000 0.982 30 G CA -0.040 44.986 45.100 -0.124 0.000 0.662 30 G HN 0.118 nan 8.290 nan 0.000 0.527 31 V N 1.671 121.498 119.914 -0.144 0.000 2.383 31 V HA 0.307 4.428 4.120 0.001 0.000 0.275 31 V C 0.127 176.154 176.094 -0.111 0.000 1.036 31 V CA -0.853 61.372 62.300 -0.125 0.000 0.889 31 V CB 1.626 33.358 31.823 -0.151 0.000 0.985 31 V HN 0.258 nan 8.190 nan 0.000 0.459 32 D N 5.080 125.435 120.400 -0.076 0.000 2.541 32 D HA 0.288 4.929 4.640 0.001 0.000 0.231 32 D C 0.345 176.619 176.300 -0.044 0.000 1.163 32 D CA 0.389 54.355 54.000 -0.055 0.000 1.077 32 D CB 0.804 41.583 40.800 -0.035 0.000 1.110 32 D HN 0.657 nan 8.370 nan 0.000 0.499 33 A N 2.174 124.958 122.820 -0.060 0.000 2.320 33 A HA 0.542 4.862 4.320 0.001 0.000 0.334 33 A C -0.169 177.411 177.584 -0.006 0.000 1.147 33 A CA -0.678 51.336 52.037 -0.040 0.000 0.820 33 A CB 1.899 20.846 19.000 -0.088 0.000 1.218 33 A HN 0.375 nan 8.150 nan 0.000 0.482 34 Q N 0.990 120.811 119.800 0.034 0.000 2.289 34 Q HA 0.599 4.940 4.340 0.001 0.000 0.270 34 Q C -0.956 175.105 176.000 0.101 0.000 1.038 34 Q CA -0.741 55.099 55.803 0.061 0.000 0.812 34 Q CB 1.972 30.744 28.738 0.058 0.000 1.300 34 Q HN 1.090 nan 8.270 nan 0.000 0.427 35 A N 2.864 125.749 122.820 0.109 0.000 2.366 35 A HA 0.605 4.926 4.320 0.001 0.000 0.272 35 A C -0.232 177.435 177.584 0.139 0.000 1.135 35 A CA -0.176 51.945 52.037 0.140 0.000 0.804 35 A CB 0.298 19.378 19.000 0.134 0.000 1.064 35 A HN 0.680 nan 8.150 nan 0.000 0.499 36 V N -1.102 118.923 119.914 0.186 0.000 3.130 36 V HA 0.987 5.108 4.120 0.001 0.000 0.310 36 V C -0.047 176.126 176.094 0.131 0.000 1.158 36 V CA -0.421 61.957 62.300 0.131 0.000 1.029 36 V CB 1.297 33.179 31.823 0.100 0.000 1.057 36 V HN 1.718 nan 8.190 nan 0.000 0.436 37 A N 1.296 124.144 122.820 0.047 0.000 2.384 37 A HA 0.875 5.196 4.320 0.001 0.000 0.312 37 A C 0.005 177.557 177.584 -0.055 0.000 1.113 37 A CA -0.818 51.234 52.037 0.025 0.000 0.779 37 A CB 1.766 20.782 19.000 0.027 0.000 1.307 37 A HN 1.065 nan 8.150 nan 0.000 0.436 38 L N 0.684 121.868 121.223 -0.065 0.000 2.640 38 L HA 0.408 4.749 4.340 0.001 0.000 0.230 38 L C 0.975 177.814 176.870 -0.051 0.000 1.123 38 L CA 0.593 55.371 54.840 -0.103 0.000 0.900 38 L CB 0.079 42.066 42.059 -0.119 0.000 1.146 38 L HN 0.843 nan 8.230 nan 0.000 0.484 39 G N -1.164 107.622 108.800 -0.024 0.000 2.608 39 G HA2 0.267 4.227 3.960 0.001 0.000 0.291 39 G HA3 0.267 4.227 3.960 0.001 0.000 0.291 39 G C -1.407 173.499 174.900 0.009 0.000 1.425 39 G CA -0.685 44.413 45.100 -0.004 0.000 0.787 39 G HN -0.160 nan 8.290 nan 0.000 0.484 40 N N 0.444 119.154 118.700 0.017 0.000 2.493 40 N HA 0.445 5.186 4.740 0.001 0.000 0.275 40 N C -2.436 173.096 175.510 0.036 0.000 1.186 40 N CA -0.712 52.354 53.050 0.026 0.000 0.978 40 N CB 0.968 39.471 38.487 0.026 0.000 1.184 40 N HN 0.173 nan 8.380 nan 0.000 0.487 41 P HA 0.076 nan 4.420 nan 0.000 0.269 41 P C -0.389 176.948 177.300 0.061 0.000 1.215 41 P CA -0.244 62.891 63.100 0.059 0.000 0.780 41 P CB 0.401 32.144 31.700 0.071 0.000 0.898 42 N N 0.335 119.075 118.700 0.068 0.000 2.405 42 N HA 0.084 4.825 4.740 0.001 0.000 0.269 42 N C 0.859 176.414 175.510 0.076 0.000 1.249 42 N CA -0.409 52.679 53.050 0.064 0.000 0.974 42 N CB 0.002 38.526 38.487 0.061 0.000 1.204 42 N HN 0.248 nan 8.380 nan 0.000 0.565 43 E N -0.146 120.093 120.200 0.065 0.000 2.130 43 E HA -0.282 4.069 4.350 0.001 0.000 0.196 43 E C 1.192 177.856 176.600 0.106 0.000 0.998 43 E CA 1.302 57.748 56.400 0.077 0.000 0.806 43 E CB -0.167 29.562 29.700 0.048 0.000 0.738 43 E HN 0.801 nan 8.360 nan 0.000 0.459 44 E N 0.013 120.258 120.200 0.076 0.000 2.031 44 E HA -0.128 4.222 4.350 0.001 0.000 0.193 44 E C 1.871 178.577 176.600 0.177 0.000 0.994 44 E CA 1.570 58.017 56.400 0.078 0.000 0.800 44 E CB 0.122 29.841 29.700 0.033 0.000 0.752 44 E HN 0.120 nan 8.360 nan 0.000 0.447 45 T N 0.562 115.205 114.554 0.148 0.000 2.867 45 T HA -0.060 4.291 4.350 0.001 0.000 0.268 45 T C 1.777 176.585 174.700 0.180 0.000 1.057 45 T CA 0.963 63.162 62.100 0.165 0.000 1.136 45 T CB -0.155 68.784 68.868 0.117 0.000 0.874 45 T HN 0.285 nan 8.240 nan 0.000 0.466 46 A N 1.123 124.040 122.820 0.161 0.000 1.902 46 A HA -0.012 4.308 4.320 0.001 0.000 0.217 46 A C 1.978 179.663 177.584 0.168 0.000 1.181 46 A CA 1.190 53.310 52.037 0.138 0.000 0.623 46 A CB -0.968 18.100 19.000 0.113 0.000 0.818 46 A HN 0.530 nan 8.150 nan 0.000 0.443 47 F N 0.565 120.563 119.950 0.079 0.000 2.216 47 F HA -0.148 4.380 4.527 0.001 0.000 0.300 47 F C 2.023 177.920 175.800 0.162 0.000 1.085 47 F CA 1.846 59.900 58.000 0.090 0.000 1.326 47 F CB -0.025 39.001 39.000 0.043 0.000 1.027 47 F HN 0.039 nan 8.300 nan 0.000 0.497 48 V N 0.774 120.899 119.914 0.351 0.000 2.302 48 V HA -0.267 3.853 4.120 0.001 0.000 0.243 48 V C 2.415 178.702 176.094 0.322 0.000 1.036 48 V CA 1.861 64.406 62.300 0.408 0.000 1.020 48 V CB -0.740 31.351 31.823 0.447 0.000 0.657 48 V HN 0.349 nan 8.190 nan 0.000 0.453 49 L N 0.285 121.640 121.223 0.221 0.000 2.043 49 L HA -0.263 4.078 4.340 0.001 0.000 0.212 49 L C 2.320 179.252 176.870 0.103 0.000 1.075 49 L CA 2.273 57.215 54.840 0.170 0.000 0.752 49 L CB -0.713 41.416 42.059 0.115 0.000 0.891 49 L HN 0.432 nan 8.230 nan 0.000 0.432 50 D N -0.940 119.472 120.400 0.020 0.000 2.097 50 D HA -0.262 4.378 4.640 0.001 0.000 0.197 50 D C 2.144 178.347 176.300 -0.162 0.000 0.984 50 D CA 0.950 54.907 54.000 -0.072 0.000 0.826 50 D CB -0.118 40.614 40.800 -0.113 0.000 0.973 50 D HN 0.273 nan 8.370 nan 0.000 0.460 51 Y N -0.513 119.543 120.300 -0.406 0.000 2.151 51 Y HA -0.199 4.351 4.550 0.001 0.000 0.284 51 Y C 1.071 176.565 175.900 -0.675 0.000 1.166 51 Y CA 1.621 59.352 58.100 -0.615 0.000 1.163 51 Y CB -0.122 37.872 38.460 -0.778 0.000 0.974 51 Y HN 0.025 nan 8.280 nan 0.000 0.511 52 F N 0.066 120.074 119.950 0.097 0.000 2.641 52 F HA 0.332 4.860 4.527 0.001 0.000 0.302 52 F C 1.370 177.151 175.800 -0.031 0.000 1.098 52 F CA 0.172 58.188 58.000 0.028 0.000 1.318 52 F CB -0.037 38.995 39.000 0.053 0.000 1.035 52 F HN 0.027 nan 8.300 nan 0.000 0.551 53 G N 3.027 111.840 108.800 0.022 0.000 2.247 53 G HA2 -0.245 3.715 3.960 0.001 0.000 0.260 53 G HA3 -0.245 3.715 3.960 0.001 0.000 0.260 53 G C -0.294 174.633 174.900 0.044 0.000 0.852 53 G CA 0.690 45.792 45.100 0.004 0.000 1.281 53 G HN 0.618 nan 8.290 nan 0.000 0.378 54 I N -2.748 117.859 120.570 0.062 0.000 2.775 54 I HA 0.537 4.708 4.170 0.001 0.000 0.295 54 I C -0.137 176.011 176.117 0.053 0.000 1.287 54 I CA -1.489 59.844 61.300 0.056 0.000 1.029 54 I CB 1.599 39.639 38.000 0.066 0.000 1.282 54 I HN 0.188 nan 8.210 nan 0.000 0.426 55 Q N 3.017 122.843 119.800 0.043 0.000 2.392 55 Q HA 0.524 4.865 4.340 0.001 0.000 0.262 55 Q C 0.196 176.227 176.000 0.051 0.000 1.003 55 Q CA -0.406 55.422 55.803 0.042 0.000 0.888 55 Q CB 1.343 30.102 28.738 0.035 0.000 1.260 55 Q HN 0.817 nan 8.270 nan 0.000 0.435 56 A N 3.332 126.183 122.820 0.051 0.000 2.351 56 A HA 0.408 4.729 4.320 0.001 0.000 0.257 56 A C -2.094 175.521 177.584 0.052 0.000 1.087 56 A CA -1.204 50.867 52.037 0.056 0.000 0.798 56 A CB -0.322 18.710 19.000 0.054 0.000 1.033 56 A HN 0.473 nan 8.150 nan 0.000 0.488 57 P HA 0.170 nan 4.420 nan 0.000 0.269 57 P C -2.465 174.861 177.300 0.044 0.000 1.211 57 P CA -0.559 62.576 63.100 0.059 0.000 0.781 57 P CB -0.131 31.613 31.700 0.074 0.000 0.877 58 P HA 0.040 nan 4.420 nan 0.000 0.282 58 P C -0.671 176.636 177.300 0.011 0.000 1.262 58 P CA 0.050 63.164 63.100 0.024 0.000 0.773 58 P CB 0.462 32.175 31.700 0.023 0.000 0.879 59 V N 5.027 124.942 119.914 0.002 0.000 2.521 59 V HA 0.097 4.217 4.120 0.001 0.000 0.286 59 V C 1.207 177.281 176.094 -0.034 0.000 1.034 59 V CA 0.151 62.441 62.300 -0.017 0.000 1.045 59 V CB 0.741 32.556 31.823 -0.013 0.000 0.974 59 V HN 0.500 nan 8.190 nan 0.000 0.480 60 V N 3.313 123.187 119.914 -0.068 0.000 3.181 60 V HA 0.770 4.891 4.120 0.001 0.000 0.314 60 V C 0.189 176.217 176.094 -0.110 0.000 1.173 60 V CA -0.677 61.573 62.300 -0.083 0.000 1.052 60 V CB 2.403 34.165 31.823 -0.103 0.000 1.123 60 V HN 0.601 nan 8.190 nan 0.000 0.454 61 K N -0.145 120.191 120.400 -0.105 0.000 2.558 61 K HA 0.407 4.727 4.320 0.001 0.000 0.215 61 K C 0.044 176.579 176.600 -0.108 0.000 1.298 61 K CA 0.716 56.941 56.287 -0.104 0.000 1.008 61 K CB 1.134 33.596 32.500 -0.064 0.000 1.073 61 K HN 0.866 nan 8.250 nan 0.000 0.606 62 S N -0.724 114.912 115.700 -0.107 0.000 2.563 62 S HA 0.533 5.003 4.470 0.001 0.000 0.279 62 S C 0.101 174.659 174.600 -0.069 0.000 1.155 62 S CA 0.063 58.212 58.200 -0.085 0.000 0.928 62 S CB 1.526 64.695 63.200 -0.051 0.000 1.107 62 S HN 0.089 nan 8.310 nan 0.000 0.462 63 A N 3.582 126.371 122.820 -0.053 0.000 1.898 63 A HA -0.031 4.290 4.320 0.001 0.000 0.216 63 A C 1.826 179.412 177.584 0.003 0.000 1.181 63 A CA 1.605 53.640 52.037 -0.004 0.000 0.620 63 A CB -0.752 18.274 19.000 0.045 0.000 0.819 63 A HN 0.890 nan 8.150 nan 0.000 0.442 64 Q N -0.492 119.305 119.800 -0.005 0.000 2.124 64 Q HA -0.113 4.228 4.340 0.001 0.000 0.202 64 Q C 2.351 178.349 176.000 -0.005 0.000 0.977 64 Q CA 1.463 57.265 55.803 -0.002 0.000 0.850 64 Q CB -0.397 28.338 28.738 -0.006 0.000 0.901 64 Q HN 0.686 nan 8.270 nan 0.000 0.429 65 A N 1.073 123.885 122.820 -0.013 0.000 1.930 65 A HA -0.144 4.177 4.320 0.001 0.000 0.217 65 A C 1.716 179.295 177.584 -0.008 0.000 1.175 65 A CA 1.052 53.082 52.037 -0.013 0.000 0.627 65 A CB -0.087 18.901 19.000 -0.021 0.000 0.815 65 A HN 0.140 nan 8.150 nan 0.000 0.443 66 E N -0.771 119.425 120.200 -0.008 0.000 2.511 66 E HA 0.144 4.494 4.350 0.001 0.000 0.196 66 E C 1.116 177.722 176.600 0.010 0.000 1.066 66 E CA 0.611 57.012 56.400 0.001 0.000 0.871 66 E CB -0.436 29.267 29.700 0.005 0.000 0.863 66 E HN 0.782 nan 8.360 nan 0.000 0.520 67 G N 0.965 109.771 108.800 0.008 0.000 2.160 67 G HA2 -0.242 3.718 3.960 0.001 0.000 0.244 67 G HA3 -0.242 3.718 3.960 0.001 0.000 0.244 67 G C 0.217 175.128 174.900 0.017 0.000 1.022 67 G CA 0.333 45.439 45.100 0.011 0.000 0.741 67 G HN 0.496 nan 8.290 nan 0.000 0.508 68 A N -0.854 121.981 122.820 0.025 0.000 2.355 68 A HA 0.854 5.175 4.320 0.001 0.000 0.317 68 A C 0.780 178.387 177.584 0.037 0.000 1.094 68 A CA -0.098 51.961 52.037 0.037 0.000 0.764 68 A CB 1.099 20.134 19.000 0.059 0.000 1.230 68 A HN 0.217 nan 8.150 nan 0.000 0.448 69 K N 0.538 120.958 120.400 0.034 0.000 2.370 69 K HA 0.118 4.439 4.320 0.001 0.000 0.194 69 K C 0.088 176.711 176.600 0.039 0.000 1.070 69 K CA 0.497 56.803 56.287 0.030 0.000 0.998 69 K CB 0.494 33.006 32.500 0.020 0.000 0.911 69 K HN 0.776 nan 8.250 nan 0.000 0.533 70 Q N 1.295 121.122 119.800 0.045 0.000 2.266 70 Q HA 0.442 4.782 4.340 0.001 0.000 0.261 70 Q C -0.840 175.201 176.000 0.070 0.000 0.985 70 Q CA -0.855 54.977 55.803 0.048 0.000 0.873 70 Q CB 2.626 31.384 28.738 0.034 0.000 1.306 70 Q HN -0.032 nan 8.270 nan 0.000 0.447 71 V N -1.186 118.766 119.914 0.062 0.000 3.049 71 V HA 0.688 4.809 4.120 0.001 0.000 0.309 71 V C -1.071 174.998 176.094 -0.042 0.000 1.148 71 V CA -0.927 61.401 62.300 0.046 0.000 0.990 71 V CB 1.885 33.785 31.823 0.129 0.000 1.039 71 V HN 0.720 nan 8.190 nan 0.000 0.430 72 I N 3.324 123.811 120.570 -0.139 0.000 2.465 72 I HA 0.531 4.701 4.170 0.001 0.000 0.291 72 I C -0.771 175.145 176.117 -0.336 0.000 1.014 72 I CA -0.625 60.611 61.300 -0.106 0.000 1.093 72 I CB 1.962 39.989 38.000 0.046 0.000 1.267 72 I HN 0.496 nan 8.210 nan 0.000 0.431 73 L N 5.725 126.778 121.223 -0.284 0.000 2.307 73 L HA 0.635 4.976 4.340 0.001 0.000 0.284 73 L C -0.009 176.722 176.870 -0.232 0.000 1.023 73 L CA -0.532 54.073 54.840 -0.391 0.000 0.810 73 L CB 1.802 43.558 42.059 -0.505 0.000 1.231 73 L HN 0.588 nan 8.230 nan 0.000 0.423 74 T N -2.621 111.880 114.554 -0.088 0.000 2.893 74 T HA 0.392 4.742 4.350 0.001 0.000 0.291 74 T C 0.063 174.873 174.700 0.182 0.000 1.028 74 T CA -0.494 61.609 62.100 0.004 0.000 0.995 74 T CB 1.995 70.883 68.868 0.034 0.000 1.051 74 T HN 0.717 nan 8.240 nan 0.000 0.470 75 D N 0.578 121.102 120.400 0.207 0.000 3.059 75 D HA -0.218 4.422 4.640 0.001 0.000 0.220 75 D C 0.045 176.599 176.300 0.424 0.000 1.169 75 D CA 2.441 56.680 54.000 0.398 0.000 0.902 75 D CB -1.523 39.493 40.800 0.361 0.000 1.116 75 D HN 1.203 nan 8.370 nan 0.000 0.417 76 H N -2.883 116.242 119.070 0.092 0.000 2.935 76 H HA 0.388 4.944 4.556 0.001 0.000 0.297 76 H C 0.108 175.417 175.328 -0.033 0.000 1.423 76 H CA -0.063 55.960 56.048 -0.042 0.000 1.161 76 H CB -0.002 29.791 29.762 0.050 0.000 1.841 76 H HN 0.096 nan 8.280 nan 0.000 0.506 77 N N -0.702 117.896 118.700 -0.169 0.000 2.026 77 N HA 0.029 4.770 4.740 0.001 0.000 0.239 77 N C -0.959 174.693 175.510 0.238 0.000 1.283 77 N CA -0.318 52.606 53.050 -0.210 0.000 0.816 77 N CB 0.710 38.879 38.487 -0.531 0.000 1.263 77 N HN 0.478 nan 8.380 nan 0.000 0.470 78 E N 0.804 121.131 120.200 0.211 0.000 2.406 78 E HA 0.007 4.357 4.350 0.001 0.000 0.258 78 E C -0.227 176.654 176.600 0.468 0.000 1.043 78 E CA -0.336 56.225 56.400 0.267 0.000 0.929 78 E CB 0.297 30.064 29.700 0.110 0.000 0.969 78 E HN 0.194 nan 8.360 nan 0.000 0.462 79 F N 2.212 122.277 119.950 0.193 0.000 2.184 79 F HA -0.231 4.296 4.527 0.001 0.000 0.301 79 F C 2.047 177.921 175.800 0.123 0.000 1.076 79 F CA 1.384 59.486 58.000 0.171 0.000 1.295 79 F CB -0.636 38.432 39.000 0.113 0.000 1.026 79 F HN 0.484 nan 8.300 nan 0.000 0.494 80 Q N -0.442 119.515 119.800 0.262 0.000 2.436 80 Q HA -0.106 4.235 4.340 0.001 0.000 0.209 80 Q C 1.489 177.543 176.000 0.089 0.000 0.965 80 Q CA 0.889 56.772 55.803 0.134 0.000 0.910 80 Q CB -0.551 28.230 28.738 0.071 0.000 0.980 80 Q HN 0.503 nan 8.270 nan 0.000 0.491 81 Q N -0.657 119.214 119.800 0.119 0.000 2.282 81 Q HA 0.247 4.587 4.340 0.001 0.000 0.206 81 Q C 0.490 176.483 176.000 -0.011 0.000 0.878 81 Q CA -0.120 55.703 55.803 0.033 0.000 0.944 81 Q CB 0.736 29.472 28.738 -0.002 0.000 1.100 81 Q HN 0.160 nan 8.270 nan 0.000 0.509 82 S N 0.084 115.866 115.700 0.136 0.000 2.495 82 S HA 0.372 4.843 4.470 0.001 0.000 0.273 82 S C 0.031 174.680 174.600 0.083 0.000 1.156 82 S CA -0.705 57.621 58.200 0.210 0.000 1.032 82 S CB 0.333 63.788 63.200 0.425 0.000 1.160 82 S HN 0.261 nan 8.310 nan 0.000 0.489 83 I N 1.345 121.974 120.570 0.098 0.000 2.638 83 I HA 0.288 4.458 4.170 0.001 0.000 0.286 83 I C 1.425 177.503 176.117 -0.065 0.000 1.088 83 I CA -0.194 61.038 61.300 -0.113 0.000 1.397 83 I CB 1.254 39.091 38.000 -0.271 0.000 1.414 83 I HN 0.785 nan 8.210 nan 0.000 0.566 84 A N 5.033 127.805 122.820 -0.080 0.000 1.903 84 A HA -0.240 4.081 4.320 0.001 0.000 0.219 84 A C 1.359 178.917 177.584 -0.044 0.000 1.191 84 A CA 2.207 54.215 52.037 -0.048 0.000 0.638 84 A CB -0.557 18.414 19.000 -0.048 0.000 0.823 84 A HN 0.877 nan 8.150 nan 0.000 0.451 85 D N -0.784 119.584 120.400 -0.053 0.000 2.561 85 D HA 0.119 4.759 4.640 0.001 0.000 0.232 85 D C 1.024 177.283 176.300 -0.069 0.000 1.198 85 D CA -0.286 53.687 54.000 -0.045 0.000 0.826 85 D CB -0.234 40.547 40.800 -0.031 0.000 0.992 85 D HN 0.292 nan 8.370 nan 0.000 0.490 86 I N 1.579 122.076 120.570 -0.121 0.000 2.194 86 I HA -0.266 3.904 4.170 0.001 0.000 0.246 86 I C 1.977 177.884 176.117 -0.349 0.000 1.093 86 I CA 1.494 62.636 61.300 -0.262 0.000 1.355 86 I CB -0.021 37.695 38.000 -0.475 0.000 1.046 86 I HN -0.082 nan 8.210 nan 0.000 0.413 87 R N 0.121 120.480 120.500 -0.235 0.000 2.280 87 R HA -0.050 4.291 4.340 0.001 0.000 0.207 87 R C 1.452 177.742 176.300 -0.017 0.000 1.043 87 R CA 0.715 56.783 56.100 -0.052 0.000 1.006 87 R CB -0.215 30.139 30.300 0.090 0.000 0.885 87 R HN 0.393 nan 8.270 nan 0.000 0.467 88 E N 0.321 120.500 120.200 -0.036 0.000 2.340 88 E HA 0.003 4.354 4.350 0.001 0.000 0.194 88 E C 1.089 177.684 176.600 -0.008 0.000 0.996 88 E CA 0.408 56.801 56.400 -0.012 0.000 0.869 88 E CB 0.241 29.935 29.700 -0.010 0.000 0.835 88 E HN 0.172 nan 8.360 nan 0.000 0.493 89 V N -1.113 118.791 119.914 -0.017 0.000 3.267 89 V HA 0.425 4.546 4.120 0.001 0.000 0.317 89 V C 0.182 176.279 176.094 0.004 0.000 1.131 89 V CA -1.140 61.162 62.300 0.004 0.000 1.031 89 V CB 1.770 33.610 31.823 0.027 0.000 1.159 89 V HN -0.067 nan 8.190 nan 0.000 0.454 90 E N 0.278 120.490 120.200 0.021 0.000 2.197 90 E HA 0.493 4.844 4.350 0.001 0.000 0.281 90 E C -1.364 175.261 176.600 0.041 0.000 0.995 90 E CA -0.683 55.733 56.400 0.027 0.000 0.808 90 E CB 1.840 31.557 29.700 0.029 0.000 1.093 90 E HN 0.622 nan 8.360 nan 0.000 0.394 91 V N 6.666 126.613 119.914 0.055 0.000 2.353 91 V HA 0.023 4.144 4.120 0.001 0.000 0.264 91 V C 1.173 177.330 176.094 0.105 0.000 1.049 91 V CA -0.178 62.177 62.300 0.092 0.000 0.896 91 V CB 0.779 32.709 31.823 0.179 0.000 1.025 91 V HN 0.740 nan 8.190 nan 0.000 0.475 92 V N 1.633 121.600 119.914 0.087 0.000 3.052 92 V HA 0.330 4.451 4.120 0.001 0.000 0.254 92 V C 0.601 176.781 176.094 0.144 0.000 1.100 92 V CA 0.787 63.146 62.300 0.098 0.000 1.112 92 V CB -0.377 31.487 31.823 0.069 0.000 0.738 92 V HN 0.815 nan 8.190 nan 0.000 0.469 93 E N -0.918 119.368 120.200 0.144 0.000 2.390 93 E HA 0.694 5.044 4.350 0.001 0.000 0.280 93 E C -1.973 174.679 176.600 0.087 0.000 0.992 93 E CA -0.578 55.937 56.400 0.191 0.000 0.790 93 E CB 3.119 33.008 29.700 0.315 0.000 1.248 93 E HN 0.045 nan 8.360 nan 0.000 0.447 94 V N 1.655 121.575 119.914 0.010 0.000 2.668 94 V HA 0.400 4.521 4.120 0.001 0.000 0.304 94 V C -0.966 175.023 176.094 -0.175 0.000 1.071 94 V CA -0.804 61.419 62.300 -0.129 0.000 0.894 94 V CB 1.943 33.618 31.823 -0.247 0.000 1.008 94 V HN 0.426 nan 8.190 nan 0.000 0.425 95 V N 3.652 123.447 119.914 -0.198 0.000 2.443 95 V HA 0.752 4.872 4.120 0.001 0.000 0.293 95 V C -0.838 175.188 176.094 -0.113 0.000 1.021 95 V CA -0.143 62.029 62.300 -0.215 0.000 0.848 95 V CB 1.705 33.293 31.823 -0.392 0.000 0.998 95 V HN 1.000 nan 8.190 nan 0.000 0.424 96 D N 1.737 122.102 120.400 -0.059 0.000 2.639 96 D HA 0.399 5.040 4.640 0.001 0.000 0.271 96 D C -0.322 176.054 176.300 0.128 0.000 1.254 96 D CA -0.433 53.616 54.000 0.081 0.000 0.810 96 D CB 1.745 42.551 40.800 0.011 0.000 1.351 96 D HN 0.784 nan 8.370 nan 0.000 0.427 97 H N -1.426 117.640 119.070 -0.006 0.000 2.575 97 H HA 0.447 5.003 4.556 0.001 0.000 0.256 97 H C -0.162 175.026 175.328 -0.234 0.000 1.162 97 H CA -0.546 55.425 56.048 -0.128 0.000 0.969 97 H CB 0.096 29.762 29.762 -0.159 0.000 1.796 97 H HN 0.075 nan 8.280 nan 0.000 0.607 98 H N 0.915 119.862 119.070 -0.205 0.000 2.693 98 H HA 0.363 4.920 4.556 0.001 0.000 0.348 98 H C 0.175 175.429 175.328 -0.123 0.000 1.222 98 H CA -1.209 54.715 56.048 -0.206 0.000 1.270 98 H CB 1.633 31.279 29.762 -0.193 0.000 1.798 98 H HN 0.344 nan 8.280 nan 0.000 0.592 99 R N -0.250 120.276 120.500 0.043 0.000 2.707 99 R HA 0.350 4.691 4.340 0.001 0.000 0.270 99 R C -0.890 175.401 176.300 -0.014 0.000 1.083 99 R CA -0.508 55.593 56.100 0.001 0.000 1.182 99 R CB -0.094 30.209 30.300 0.004 0.000 1.084 99 R HN 0.143 nan 8.270 nan 0.000 0.528 100 V N 0.292 120.187 119.914 -0.033 0.000 2.435 100 V HA 0.833 4.954 4.120 0.001 0.000 0.290 100 V C -0.161 175.928 176.094 -0.009 0.000 1.030 100 V CA 0.089 62.361 62.300 -0.047 0.000 0.881 100 V CB 0.809 32.593 31.823 -0.064 0.000 0.983 100 V HN 1.049 nan 8.190 nan 0.000 0.445 101 A N 3.433 126.258 122.820 0.008 0.000 2.597 101 A HA 0.632 4.953 4.320 0.001 0.000 0.292 101 A C -0.063 177.520 177.584 -0.001 0.000 1.057 101 A CA -0.507 51.532 52.037 0.002 0.000 0.674 101 A CB 0.636 19.630 19.000 -0.010 0.000 1.278 101 A HN 0.986 nan 8.150 nan 0.000 0.416 102 N N -1.276 117.387 118.700 -0.062 0.000 2.716 102 N HA -0.209 4.531 4.740 0.001 0.000 0.250 102 N C -0.865 174.427 175.510 -0.363 0.000 1.033 102 N CA 1.677 54.630 53.050 -0.163 0.000 0.727 102 N CB -1.161 37.286 38.487 -0.066 0.000 0.950 102 N HN 0.971 nan 8.380 nan 0.000 0.541 103 F N 0.720 120.369 119.950 -0.502 0.000 2.561 103 F HA 0.566 5.094 4.527 0.001 0.000 0.313 103 F C -0.710 174.839 175.800 -0.417 0.000 1.126 103 F CA -0.736 56.902 58.000 -0.604 0.000 0.918 103 F CB 1.740 40.627 39.000 -0.188 0.000 1.199 103 F HN 0.047 nan 8.300 nan 0.000 0.444 104 E N 3.377 122.855 120.200 -1.204 0.000 2.352 104 E HA 0.501 4.851 4.350 0.001 0.000 0.280 104 E C -1.799 174.464 176.600 -0.562 0.000 0.930 104 E CA -0.715 55.269 56.400 -0.693 0.000 0.765 104 E CB 2.192 31.662 29.700 -0.383 0.000 1.219 104 E HN 0.711 nan 8.360 nan 0.000 0.434 105 T N -0.215 114.126 114.554 -0.355 0.000 2.893 105 T HA 0.682 5.033 4.350 0.001 0.000 0.291 105 T C 0.553 175.204 174.700 -0.081 0.000 1.028 105 T CA -0.067 61.927 62.100 -0.177 0.000 0.995 105 T CB 1.697 70.499 68.868 -0.111 0.000 1.051 105 T HN 0.424 nan 8.240 nan 0.000 0.470 106 A N 2.339 125.136 122.820 -0.038 0.000 1.975 106 A HA 0.258 4.578 4.320 0.001 0.000 0.215 106 A C 1.016 178.595 177.584 -0.008 0.000 1.170 106 A CA 0.349 52.373 52.037 -0.020 0.000 0.656 106 A CB -0.381 18.615 19.000 -0.007 0.000 0.821 106 A HN 0.821 nan 8.150 nan 0.000 0.449 107 N N -0.694 118.007 118.700 0.001 0.000 2.453 107 N HA 0.447 5.187 4.740 0.001 0.000 0.290 107 N C -3.093 172.433 175.510 0.027 0.000 1.250 107 N CA -1.432 51.627 53.050 0.014 0.000 0.815 107 N CB 0.737 39.236 38.487 0.019 0.000 1.381 107 N HN -0.122 nan 8.380 nan 0.000 0.510 108 P HA 0.215 nan 4.420 nan 0.000 0.269 108 P C -0.585 176.755 177.300 0.066 0.000 1.215 108 P CA -0.002 63.125 63.100 0.046 0.000 0.780 108 P CB 0.593 32.318 31.700 0.041 0.000 0.898 109 L N -1.050 120.224 121.223 0.085 0.000 2.630 109 L HA 0.629 4.970 4.340 0.001 0.000 0.258 109 L C -1.100 175.849 176.870 0.132 0.000 1.072 109 L CA -1.177 53.734 54.840 0.118 0.000 0.885 109 L CB 1.224 43.365 42.059 0.136 0.000 1.502 109 L HN 0.182 nan 8.230 nan 0.000 0.406 113 L N 3.279 124.405 121.223 -0.160 0.000 2.329 113 L HA 0.654 4.994 4.340 0.001 0.000 0.279 113 L C -0.164 176.655 176.870 -0.084 0.000 1.014 113 L CA -0.727 54.047 54.840 -0.111 0.000 0.814 113 L CB 2.112 44.101 42.059 -0.117 0.000 1.257 113 L HN 0.626 nan 8.230 nan 0.000 0.424 114 E N 3.959 124.122 120.200 -0.063 0.000 2.308 114 E HA 0.289 4.639 4.350 0.001 0.000 0.275 114 E C -2.397 174.165 176.600 -0.062 0.000 0.890 114 E CA -1.643 54.709 56.400 -0.079 0.000 0.754 114 E CB 2.842 32.478 29.700 -0.106 0.000 1.207 114 E HN 0.326 nan 8.360 nan 0.000 0.426 115 P HA 0.029 nan 4.420 nan 0.000 0.226 115 P C -0.142 177.130 177.300 -0.045 0.000 1.783 115 P CA 0.083 63.164 63.100 -0.033 0.000 0.980 115 P CB -0.274 31.424 31.700 -0.005 0.000 1.967 116 V N -2.456 117.418 119.914 -0.067 0.000 3.166 116 V HA 0.757 4.877 4.120 0.001 0.000 0.317 116 V C 1.795 177.885 176.094 -0.008 0.000 1.136 116 V CA -0.192 62.056 62.300 -0.087 0.000 1.035 116 V CB 0.544 32.234 31.823 -0.221 0.000 1.110 116 V HN 0.128 nan 8.190 nan 0.000 0.450 117 G N 0.846 109.637 108.800 -0.016 0.000 2.469 117 G HA2 0.044 4.004 3.960 0.001 0.000 0.220 117 G HA3 0.044 4.004 3.960 0.001 0.000 0.220 117 G C 0.623 175.383 174.900 -0.233 0.000 1.136 117 G CA 1.345 46.424 45.100 -0.035 0.000 0.759 117 G HN 1.601 nan 8.290 nan 0.000 0.562 118 S N -3.024 112.372 115.700 -0.508 0.000 2.596 118 S HA 0.673 5.143 4.470 0.001 0.000 0.270 118 S C 0.622 174.755 174.600 -0.778 0.000 1.155 118 S CA 0.222 57.911 58.200 -0.853 0.000 0.827 118 S CB 1.441 64.458 63.200 -0.306 0.000 1.130 118 S HN 0.657 nan 8.310 nan 0.000 0.467 119 A N 1.338 123.817 122.820 -0.569 0.000 2.014 119 A HA 0.157 4.477 4.320 0.001 0.000 0.218 119 A C 2.047 179.579 177.584 -0.086 0.000 1.163 119 A CA 1.593 53.542 52.037 -0.147 0.000 0.652 119 A CB -1.251 17.806 19.000 0.094 0.000 0.808 119 A HN 0.846 nan 8.150 nan 0.000 0.449 120 S N 0.291 115.943 115.700 -0.079 0.000 2.399 120 S HA -0.113 4.357 4.470 0.001 0.000 0.231 120 S C 2.226 176.825 174.600 -0.002 0.000 1.022 120 S CA 1.402 59.592 58.200 -0.017 0.000 0.983 120 S CB -0.238 62.947 63.200 -0.026 0.000 0.803 120 S HN 0.640 nan 8.310 nan 0.000 0.480 121 S N 1.598 117.258 115.700 -0.068 0.000 2.382 121 S HA -0.002 4.468 4.470 0.001 0.000 0.228 121 S C 1.750 176.388 174.600 0.063 0.000 1.027 121 S CA 1.018 59.198 58.200 -0.033 0.000 0.991 121 S CB -0.366 62.774 63.200 -0.101 0.000 0.823 121 S HN 0.459 nan 8.310 nan 0.000 0.469 122 I N 1.039 121.609 120.570 -0.000 0.000 2.252 122 I HA -0.108 4.063 4.170 0.001 0.000 0.245 122 I C 2.090 178.246 176.117 0.065 0.000 1.102 122 I CA 0.792 62.099 61.300 0.012 0.000 1.385 122 I CB -0.511 37.459 38.000 -0.049 0.000 1.064 122 I HN 0.137 nan 8.210 nan 0.000 0.414 123 V N 0.562 120.521 119.914 0.074 0.000 2.407 123 V HA -0.321 3.800 4.120 0.001 0.000 0.248 123 V C 2.359 178.643 176.094 0.317 0.000 1.055 123 V CA 1.931 64.337 62.300 0.176 0.000 1.049 123 V CB -0.988 30.962 31.823 0.211 0.000 0.662 123 V HN 0.434 nan 8.190 nan 0.000 0.455 124 Y N 1.604 121.972 120.300 0.115 0.000 2.114 124 Y HA -0.287 4.264 4.550 0.001 0.000 0.282 124 Y C 2.705 178.683 175.900 0.130 0.000 1.165 124 Y CA 1.977 60.128 58.100 0.084 0.000 1.148 124 Y CB -0.303 38.157 38.460 0.000 0.000 0.972 124 Y HN 0.073 nan 8.280 nan 0.000 0.504 125 R N -0.768 119.761 120.500 0.048 0.000 2.115 125 R HA -0.118 4.222 4.340 0.001 0.000 0.230 125 R C 1.998 178.291 176.300 -0.011 0.000 1.111 125 R CA 1.065 57.127 56.100 -0.063 0.000 0.976 125 R CB -0.339 29.992 30.300 0.052 0.000 0.870 125 R HN 0.307 nan 8.270 nan 0.000 0.445 126 L N -0.521 120.752 121.223 0.083 0.000 2.141 126 L HA -0.147 4.193 4.340 0.001 0.000 0.209 126 L C 1.728 178.631 176.870 0.056 0.000 1.094 126 L CA 1.630 56.529 54.840 0.098 0.000 0.763 126 L CB -0.842 41.327 42.059 0.184 0.000 0.908 126 L HN 0.129 nan 8.230 nan 0.000 0.437 127 Y N 0.215 120.506 120.300 -0.015 0.000 2.133 127 Y HA -0.229 4.321 4.550 0.001 0.000 0.287 127 Y C 2.533 178.379 175.900 -0.091 0.000 1.134 127 Y CA 1.635 59.716 58.100 -0.032 0.000 1.133 127 Y CB -0.135 38.305 38.460 -0.034 0.000 0.987 127 Y HN 0.120 nan 8.280 nan 0.000 0.502 128 K N -0.028 120.361 120.400 -0.018 0.000 2.057 128 K HA -0.203 4.118 4.320 0.001 0.000 0.207 128 K C 1.898 178.469 176.600 -0.048 0.000 1.049 128 K CA 1.771 58.007 56.287 -0.086 0.000 0.931 128 K CB -0.219 32.148 32.500 -0.222 0.000 0.714 128 K HN 0.376 nan 8.250 nan 0.000 0.440 129 E N 0.582 120.758 120.200 -0.041 0.000 2.153 129 E HA -0.114 4.237 4.350 0.001 0.000 0.194 129 E C 1.182 177.762 176.600 -0.033 0.000 0.988 129 E CA 0.747 57.132 56.400 -0.025 0.000 0.811 129 E CB 0.077 29.774 29.700 -0.004 0.000 0.746 129 E HN 0.257 nan 8.360 nan 0.000 0.466 130 N N -0.462 118.210 118.700 -0.047 0.000 2.270 130 N HA 0.027 4.768 4.740 0.001 0.000 0.198 130 N C 0.529 176.005 175.510 -0.057 0.000 1.117 130 N CA 0.700 53.707 53.050 -0.072 0.000 0.845 130 N CB 1.364 39.776 38.487 -0.125 0.000 0.980 130 N HN 0.196 nan 8.380 nan 0.000 0.486 131 G N 0.865 109.648 108.800 -0.029 0.000 2.225 131 G HA2 -0.260 3.700 3.960 0.001 0.000 0.267 131 G HA3 -0.260 3.700 3.960 0.001 0.000 0.267 131 G C -0.051 174.854 174.900 0.010 0.000 1.024 131 G CA 0.194 45.288 45.100 -0.011 0.000 0.784 131 G HN 0.184 nan 8.290 nan 0.000 0.507 132 V N 0.832 120.766 119.914 0.033 0.000 2.350 132 V HA 0.705 4.826 4.120 0.001 0.000 0.276 132 V C 0.965 177.200 176.094 0.235 0.000 1.028 132 V CA -0.508 61.851 62.300 0.099 0.000 0.860 132 V CB 1.156 32.986 31.823 0.013 0.000 0.990 132 V HN 1.022 nan 8.190 nan 0.000 0.453 133 A N 6.359 129.281 122.820 0.170 0.000 2.498 133 A HA 0.475 4.796 4.320 0.001 0.000 0.239 133 A C -0.005 177.684 177.584 0.176 0.000 1.068 133 A CA -0.064 52.053 52.037 0.134 0.000 0.766 133 A CB -0.075 18.975 19.000 0.083 0.000 1.003 133 A HN 0.791 nan 8.150 nan 0.000 0.497 134 I N 3.764 124.353 120.570 0.030 0.000 2.396 134 I HA 0.189 4.359 4.170 0.001 0.000 0.289 134 I C -1.949 174.085 176.117 -0.138 0.000 1.056 134 I CA -1.610 59.582 61.300 -0.179 0.000 1.365 134 I CB 1.069 38.867 38.000 -0.336 0.000 1.407 134 I HN 0.448 nan 8.210 nan 0.000 0.509 135 P HA 0.077 nan 4.420 nan 0.000 0.271 135 P C 0.569 177.753 177.300 -0.193 0.000 1.218 135 P CA -0.426 62.564 63.100 -0.184 0.000 0.780 135 P CB 0.827 32.327 31.700 -0.333 0.000 0.901 136 K N 2.933 123.257 120.400 -0.126 0.000 2.015 136 K HA -0.286 4.034 4.320 0.001 0.000 0.220 136 K C 1.631 178.124 176.600 -0.178 0.000 1.055 136 K CA 2.456 58.679 56.287 -0.107 0.000 0.951 136 K CB -0.173 32.309 32.500 -0.030 0.000 0.725 136 K HN 0.602 nan 8.250 nan 0.000 0.449 137 E N 0.291 120.405 120.200 -0.144 0.000 2.110 137 E HA -0.202 4.148 4.350 0.001 0.000 0.193 137 E C 2.022 178.425 176.600 -0.328 0.000 0.988 137 E CA 1.184 57.474 56.400 -0.183 0.000 0.804 137 E CB -0.274 29.398 29.700 -0.046 0.000 0.745 137 E HN 0.266 nan 8.360 nan 0.000 0.458 138 I N 2.024 122.416 120.570 -0.296 0.000 2.226 138 I HA -0.206 3.965 4.170 0.001 0.000 0.245 138 I C 2.663 178.582 176.117 -0.330 0.000 1.100 138 I CA 1.381 62.504 61.300 -0.295 0.000 1.374 138 I CB -1.494 36.299 38.000 -0.345 0.000 1.057 138 I HN 0.223 nan 8.210 nan 0.000 0.413 139 A N 0.942 123.553 122.820 -0.348 0.000 1.978 139 A HA -0.106 4.214 4.320 0.001 0.000 0.220 139 A C 2.501 179.819 177.584 -0.444 0.000 1.170 139 A CA 1.802 53.647 52.037 -0.319 0.000 0.636 139 A CB -1.261 17.592 19.000 -0.245 0.000 0.810 139 A HN 0.443 nan 8.150 nan 0.000 0.448 140 G N -0.129 108.223 108.800 -0.747 0.000 2.421 140 G HA2 0.058 4.019 3.960 0.001 0.000 0.216 140 G HA3 0.058 4.019 3.960 0.001 0.000 0.216 140 G C 1.063 175.488 174.900 -0.792 0.000 1.171 140 G CA 1.382 45.607 45.100 -1.458 0.000 0.775 140 G HN 1.007 nan 8.290 nan 0.000 0.543 144 S N 0.520 116.261 115.700 0.068 0.000 2.368 144 S HA -0.013 4.457 4.470 0.001 0.000 0.225 144 S C 1.713 176.370 174.600 0.095 0.000 1.030 144 S CA 1.619 59.928 58.200 0.183 0.000 0.999 144 S CB -0.783 62.571 63.200 0.255 0.000 0.844 144 S HN 0.711 nan 8.310 nan 0.000 0.459 145 G N 1.974 110.804 108.800 0.051 0.000 2.459 145 G HA2 -0.185 3.775 3.960 0.001 0.000 0.217 145 G HA3 -0.185 3.775 3.960 0.001 0.000 0.217 145 G C 1.392 176.298 174.900 0.011 0.000 1.183 145 G CA 1.023 46.146 45.100 0.038 0.000 0.776 145 G HN 0.417 nan 8.290 nan 0.000 0.552 146 L N 1.001 122.211 121.223 -0.021 0.000 2.012 146 L HA 0.028 4.368 4.340 0.001 0.000 0.210 146 L C 2.703 179.565 176.870 -0.015 0.000 1.073 146 L CA 1.404 56.216 54.840 -0.045 0.000 0.748 146 L CB -0.618 41.395 42.059 -0.077 0.000 0.891 146 L HN 0.296 nan 8.230 nan 0.000 0.431 147 I N -1.222 119.354 120.570 0.010 0.000 2.226 147 I HA -0.304 3.867 4.170 0.001 0.000 0.245 147 I C 2.657 178.778 176.117 0.008 0.000 1.100 147 I CA 1.468 62.777 61.300 0.015 0.000 1.374 147 I CB -0.507 37.522 38.000 0.048 0.000 1.057 147 I HN 0.398 nan 8.210 nan 0.000 0.413 148 S N 0.871 116.585 115.700 0.024 0.000 2.343 148 S HA -0.239 4.232 4.470 0.001 0.000 0.219 148 S C 1.727 176.349 174.600 0.037 0.000 1.033 148 S CA 1.983 60.199 58.200 0.027 0.000 1.014 148 S CB -0.266 62.965 63.200 0.052 0.000 0.915 148 S HN 0.347 nan 8.310 nan 0.000 0.435 149 D N 0.258 120.689 120.400 0.053 0.000 2.182 149 D HA -0.057 4.583 4.640 0.001 0.000 0.201 149 D C 1.907 178.237 176.300 0.050 0.000 0.986 149 D CA 1.739 55.785 54.000 0.077 0.000 0.847 149 D CB -0.284 40.574 40.800 0.097 0.000 0.942 149 D HN 0.684 nan 8.370 nan 0.000 0.467 150 T N -2.588 111.979 114.554 0.021 0.000 3.092 150 T HA 0.201 4.552 4.350 0.001 0.000 0.258 150 T C 0.619 175.319 174.700 0.001 0.000 1.031 150 T CA -0.457 61.650 62.100 0.012 0.000 0.925 150 T CB 0.200 69.068 68.868 0.001 0.000 1.036 150 T HN -0.079 nan 8.240 nan 0.000 0.544 151 L N 1.031 122.252 121.223 -0.003 0.000 3.713 151 L HA -0.137 4.203 4.340 0.001 0.000 0.499 151 L C 0.686 177.543 176.870 -0.021 0.000 1.281 151 L CA 0.346 55.176 54.840 -0.017 0.000 0.796 151 L CB -2.123 39.926 42.059 -0.018 0.000 1.535 151 L HN 0.656 nan 8.230 nan 0.000 0.851 152 L N 0.538 121.749 121.223 -0.020 0.000 3.660 152 L HA -0.300 4.041 4.340 0.001 0.000 0.440 152 L C 1.030 177.892 176.870 -0.014 0.000 1.262 152 L CA 0.792 55.621 54.840 -0.018 0.000 0.837 152 L CB -0.413 41.630 42.059 -0.027 0.000 1.689 152 L HN 0.609 nan 8.230 nan 0.000 0.890 153 L N -1.968 119.248 121.223 -0.012 0.000 4.001 153 L HA -0.391 3.950 4.340 0.001 0.000 0.413 153 L C 1.442 178.306 176.870 -0.010 0.000 1.185 153 L CA 1.396 56.230 54.840 -0.011 0.000 0.963 153 L CB -1.438 40.613 42.059 -0.013 0.000 1.976 153 L HN 0.524 nan 8.230 nan 0.000 0.939 154 K N -0.832 119.562 120.400 -0.010 0.000 2.365 154 K HA 0.163 4.484 4.320 0.001 0.000 0.195 154 K C 1.154 177.749 176.600 -0.008 0.000 1.079 154 K CA 0.454 56.735 56.287 -0.010 0.000 0.979 154 K CB 0.623 33.115 32.500 -0.012 0.000 0.929 154 K HN 0.252 nan 8.250 nan 0.000 0.523 155 S N 1.582 117.278 115.700 -0.005 0.000 2.573 155 S HA 0.062 4.532 4.470 0.001 0.000 0.277 155 S C -1.921 172.679 174.600 0.000 0.000 1.346 155 S CA -1.262 56.937 58.200 -0.002 0.000 1.034 155 S CB 0.647 63.849 63.200 0.005 0.000 0.879 155 S HN -0.115 nan 8.310 nan 0.000 0.528 156 P HA -0.006 nan 4.420 nan 0.000 0.226 156 P C 1.163 178.469 177.300 0.010 0.000 1.153 156 P CA 0.962 64.062 63.100 0.001 0.000 0.777 156 P CB -0.185 31.515 31.700 -0.001 0.000 0.794 157 T N -5.757 108.807 114.554 0.018 0.000 3.113 157 T HA 0.027 4.378 4.350 0.001 0.000 0.256 157 T C 0.760 175.489 174.700 0.048 0.000 1.131 157 T CA 0.191 62.312 62.100 0.035 0.000 1.074 157 T CB -1.270 67.623 68.868 0.042 0.000 0.944 157 T HN -0.040 nan 8.240 nan 0.000 0.516 158 T N 3.205 117.778 114.554 0.031 0.000 2.853 158 T HA 0.073 4.424 4.350 0.001 0.000 0.298 158 T C -0.146 174.588 174.700 0.057 0.000 0.978 158 T CA -0.260 61.860 62.100 0.034 0.000 1.152 158 T CB 0.246 69.119 68.868 0.008 0.000 0.914 158 T HN 0.403 nan 8.240 nan 0.000 0.539 159 H N 1.949 121.007 119.070 -0.019 0.000 2.482 159 H HA 0.402 4.959 4.556 0.002 0.000 0.344 159 H C 1.284 176.602 175.328 -0.016 0.000 1.151 159 H CA -0.311 55.728 56.048 -0.015 0.000 1.300 159 H CB 1.239 30.992 29.762 -0.014 0.000 1.494 159 H HN 0.687 nan 8.280 nan 0.000 0.542 160 A N 2.906 125.441 122.820 -0.475 0.000 1.958 160 A HA -0.243 4.078 4.320 0.001 0.000 0.221 160 A C 2.310 179.879 177.584 -0.025 0.000 1.178 160 A CA 2.393 54.285 52.037 -0.243 0.000 0.642 160 A CB -0.805 18.001 19.000 -0.323 0.000 0.816 160 A HN 0.759 nan 8.150 nan 0.000 0.453 161 S N -0.911 114.908 115.700 0.198 0.000 2.496 161 S HA -0.061 4.410 4.470 0.001 0.000 0.224 161 S C 1.255 175.914 174.600 0.099 0.000 0.996 161 S CA 0.803 59.117 58.200 0.190 0.000 0.927 161 S CB -0.226 63.132 63.200 0.263 0.000 0.774 161 S HN 0.502 nan 8.310 nan 0.000 0.524 162 D N 3.153 123.611 120.400 0.097 0.000 2.123 162 D HA -0.006 4.635 4.640 0.001 0.000 0.196 162 D C -0.699 175.576 176.300 -0.041 0.000 0.992 162 D CA 1.132 55.136 54.000 0.006 0.000 0.833 162 D CB -1.490 39.320 40.800 0.016 0.000 0.954 162 D HN 0.350 nan 8.370 nan 0.000 0.455 163 P HA -0.107 nan 4.420 nan 0.000 0.215 163 P C 1.288 178.558 177.300 -0.050 0.000 1.157 163 P CA 1.921 65.001 63.100 -0.034 0.000 0.868 163 P CB -0.063 31.626 31.700 -0.020 0.000 0.788 164 A N -0.726 122.072 122.820 -0.038 0.000 1.933 164 A HA -0.164 4.156 4.320 0.001 0.000 0.218 164 A C 2.330 179.847 177.584 -0.111 0.000 1.175 164 A CA 1.812 53.826 52.037 -0.039 0.000 0.628 164 A CB -1.746 17.255 19.000 0.003 0.000 0.814 164 A HN 0.024 nan 8.150 nan 0.000 0.444 165 V N -0.148 119.651 119.914 -0.192 0.000 2.261 165 V HA -0.258 3.863 4.120 0.001 0.000 0.246 165 V C 3.083 178.932 176.094 -0.408 0.000 1.047 165 V CA 1.992 63.993 62.300 -0.497 0.000 1.015 165 V CB -1.335 30.181 31.823 -0.511 0.000 0.642 165 V HN 0.621 nan 8.190 nan 0.000 0.446 166 A N -0.181 122.501 122.820 -0.230 0.000 1.883 166 A HA -0.300 4.020 4.320 0.001 0.000 0.217 166 A C 2.183 179.698 177.584 -0.116 0.000 1.186 166 A CA 2.295 54.242 52.037 -0.150 0.000 0.624 166 A CB -0.595 18.356 19.000 -0.082 0.000 0.822 166 A HN 0.558 nan 8.150 nan 0.000 0.444 167 E N 0.158 120.302 120.200 -0.092 0.000 2.038 167 E HA -0.218 4.133 4.350 0.001 0.000 0.195 167 E C 1.699 178.265 176.600 -0.057 0.000 1.000 167 E CA 1.737 58.105 56.400 -0.054 0.000 0.803 167 E CB -0.361 29.319 29.700 -0.034 0.000 0.750 167 E HN 0.552 nan 8.360 nan 0.000 0.448 168 D N -0.796 119.555 120.400 -0.080 0.000 2.178 168 D HA -0.083 4.557 4.640 0.001 0.000 0.202 168 D C 1.886 178.157 176.300 -0.048 0.000 0.974 168 D CA 0.735 54.713 54.000 -0.036 0.000 0.841 168 D CB -0.071 40.747 40.800 0.030 0.000 0.953 168 D HN 0.250 nan 8.370 nan 0.000 0.478 169 L N -0.245 120.898 121.223 -0.134 0.000 2.217 169 L HA 0.011 4.352 4.340 0.001 0.000 0.211 169 L C 2.462 179.267 176.870 -0.108 0.000 1.107 169 L CA 0.811 55.574 54.840 -0.127 0.000 0.783 169 L CB -0.306 41.636 42.059 -0.194 0.000 0.919 169 L HN 0.037 nan 8.230 nan 0.000 0.442 170 A N 0.221 122.993 122.820 -0.081 0.000 1.873 170 A HA -0.231 4.090 4.320 0.001 0.000 0.215 170 A C 2.386 179.955 177.584 -0.026 0.000 1.186 170 A CA 1.741 53.748 52.037 -0.051 0.000 0.616 170 A CB -0.393 18.598 19.000 -0.015 0.000 0.823 170 A HN 0.288 nan 8.150 nan 0.000 0.442 171 K N -0.107 120.283 120.400 -0.016 0.000 2.009 171 K HA -0.159 4.162 4.320 0.001 0.000 0.210 171 K C 1.841 178.440 176.600 -0.002 0.000 1.049 171 K CA 1.973 58.260 56.287 0.001 0.000 0.929 171 K CB -0.381 32.123 32.500 0.006 0.000 0.714 171 K HN 0.515 nan 8.250 nan 0.000 0.440 172 I N 0.820 121.380 120.570 -0.016 0.000 2.286 172 I HA -0.209 3.961 4.170 0.001 0.000 0.248 172 I C 2.309 178.402 176.117 -0.040 0.000 1.115 172 I CA 1.167 62.451 61.300 -0.026 0.000 1.392 172 I CB -0.314 37.664 38.000 -0.037 0.000 1.065 172 I HN 0.226 nan 8.210 nan 0.000 0.418 173 A N 0.470 123.252 122.820 -0.062 0.000 2.206 173 A HA 0.252 4.573 4.320 0.001 0.000 0.211 173 A C 1.852 179.493 177.584 0.095 0.000 1.158 173 A CA 0.806 52.815 52.037 -0.046 0.000 0.761 173 A CB -0.722 18.164 19.000 -0.189 0.000 0.801 173 A HN 0.598 nan 8.150 nan 0.000 0.473 174 G N -1.079 107.755 108.800 0.056 0.000 2.160 174 G HA2 -0.063 3.897 3.960 0.001 0.000 0.244 174 G HA3 -0.063 3.897 3.960 0.001 0.000 0.244 174 G C 0.248 175.207 174.900 0.100 0.000 1.022 174 G CA 0.771 45.917 45.100 0.075 0.000 0.741 174 G HN 1.858 nan 8.290 nan 0.000 0.508 175 V N -3.119 116.842 119.914 0.079 0.000 3.074 175 V HA 0.873 4.994 4.120 0.001 0.000 0.314 175 V C -0.161 175.976 176.094 0.072 0.000 1.117 175 V CA -0.899 61.454 62.300 0.088 0.000 1.014 175 V CB 2.219 34.053 31.823 0.018 0.000 1.057 175 V HN 0.296 nan 8.190 nan 0.000 0.438 176 D N 1.179 121.639 120.400 0.099 0.000 2.264 176 D HA 0.329 4.970 4.640 0.001 0.000 0.250 176 D C 0.748 177.109 176.300 0.101 0.000 1.113 176 D CA -0.455 53.594 54.000 0.082 0.000 0.871 176 D CB 1.658 42.505 40.800 0.079 0.000 1.167 176 D HN 0.675 nan 8.370 nan 0.000 0.447 177 L N 3.712 124.978 121.223 0.071 0.000 1.956 177 L HA -0.216 4.124 4.340 0.001 0.000 0.216 177 L C 1.865 178.784 176.870 0.082 0.000 1.073 177 L CA 1.871 56.758 54.840 0.078 0.000 0.762 177 L CB -0.851 41.230 42.059 0.037 0.000 0.889 177 L HN 0.588 nan 8.230 nan 0.000 0.433 178 Q N -0.304 119.525 119.800 0.049 0.000 2.135 178 Q HA -0.272 4.068 4.340 0.001 0.000 0.204 178 Q C 2.249 178.266 176.000 0.028 0.000 0.981 178 Q CA 2.107 57.928 55.803 0.030 0.000 0.856 178 Q CB -0.306 28.444 28.738 0.019 0.000 0.902 178 Q HN 0.757 nan 8.270 nan 0.000 0.425 179 E N -0.728 119.505 120.200 0.055 0.000 2.033 179 E HA -0.173 4.178 4.350 0.001 0.000 0.189 179 E C 1.918 178.545 176.600 0.046 0.000 0.979 179 E CA 0.474 56.904 56.400 0.051 0.000 0.802 179 E CB -0.204 29.543 29.700 0.077 0.000 0.763 179 E HN 0.312 nan 8.360 nan 0.000 0.449 180 Y N 0.844 121.136 120.300 -0.013 0.000 2.165 180 Y HA -0.141 4.409 4.550 0.001 0.000 0.286 180 Y C 1.928 177.793 175.900 -0.057 0.000 1.155 180 Y CA 2.078 60.143 58.100 -0.059 0.000 1.164 180 Y CB -0.766 37.638 38.460 -0.093 0.000 0.978 180 Y HN 0.125 nan 8.280 nan 0.000 0.513 181 G N 0.377 109.121 108.800 -0.093 0.000 2.511 181 G HA2 -0.270 3.690 3.960 0.001 0.000 0.216 181 G HA3 -0.270 3.690 3.960 0.001 0.000 0.216 181 G C 1.496 176.248 174.900 -0.246 0.000 1.218 181 G CA 1.308 46.306 45.100 -0.169 0.000 0.788 181 G HN 0.362 nan 8.290 nan 0.000 0.560 182 L N 1.796 122.924 121.223 -0.158 0.000 1.990 182 L HA 0.109 4.450 4.340 0.001 0.000 0.213 182 L C 2.584 179.312 176.870 -0.236 0.000 1.072 182 L CA 1.070 55.818 54.840 -0.153 0.000 0.755 182 L CB -1.243 40.763 42.059 -0.088 0.000 0.889 182 L HN 0.346 nan 8.230 nan 0.000 0.432 186 K N 1.359 121.596 120.400 -0.271 0.000 2.103 186 K HA -0.074 4.246 4.320 0.001 0.000 0.207 186 K C 1.899 178.355 176.600 -0.240 0.000 1.048 186 K CA 1.632 57.792 56.287 -0.211 0.000 0.930 186 K CB -0.157 32.235 32.500 -0.179 0.000 0.716 186 K HN 0.393 nan 8.250 nan 0.000 0.444 187 A N 1.009 123.580 122.820 -0.415 0.000 2.024 187 A HA -0.100 4.220 4.320 0.001 0.000 0.220 187 A C 2.190 179.650 177.584 -0.207 0.000 1.164 187 A CA 1.830 53.630 52.037 -0.396 0.000 0.643 187 A CB -0.707 17.701 19.000 -0.988 0.000 0.806 187 A HN 0.438 nan 8.150 nan 0.000 0.451 188 G N -0.937 107.744 108.800 -0.198 0.000 3.042 188 G HA2 0.149 4.109 3.960 0.001 0.000 0.212 188 G HA3 0.149 4.109 3.960 0.001 0.000 0.212 188 G C 1.033 175.900 174.900 -0.055 0.000 1.166 188 G CA 0.986 46.033 45.100 -0.088 0.000 0.767 188 G HN 0.624 nan 8.290 nan 0.000 0.546 189 T N -1.004 113.509 114.554 -0.068 0.000 3.500 189 T HA 0.123 4.474 4.350 0.001 0.000 0.244 189 T C 0.259 174.942 174.700 -0.028 0.000 0.962 189 T CA -0.634 61.439 62.100 -0.045 0.000 0.932 189 T CB -0.400 68.436 68.868 -0.053 0.000 1.096 189 T HN -0.025 nan 8.240 nan 0.000 0.617 190 N N 1.663 120.353 118.700 -0.016 0.000 2.671 190 N HA 0.317 5.058 4.740 0.001 0.000 0.274 190 N C 0.824 176.334 175.510 0.001 0.000 1.188 190 N CA -0.171 52.877 53.050 -0.004 0.000 1.065 190 N CB 0.367 38.858 38.487 0.007 0.000 1.415 190 N HN 0.438 nan 8.380 nan 0.000 0.511 191 L N 0.130 121.351 121.223 -0.004 0.000 2.221 191 L HA 0.153 4.493 4.340 0.001 0.000 0.202 191 L C 2.174 179.044 176.870 0.000 0.000 1.074 191 L CA 0.324 55.163 54.840 -0.001 0.000 0.795 191 L CB -0.342 41.713 42.059 -0.007 0.000 0.960 191 L HN 0.406 nan 8.230 nan 0.000 0.458 192 A N -0.356 122.463 122.820 -0.002 0.000 2.139 192 A HA -0.233 4.088 4.320 0.001 0.000 0.221 192 A C 2.354 179.940 177.584 0.003 0.000 1.159 192 A CA 1.962 53.999 52.037 -0.001 0.000 0.662 192 A CB -0.526 18.473 19.000 -0.002 0.000 0.796 192 A HN 0.354 nan 8.150 nan 0.000 0.463 193 S N -0.979 114.724 115.700 0.006 0.000 2.631 193 S HA 0.098 4.569 4.470 0.001 0.000 0.217 193 S C 0.071 174.678 174.600 0.011 0.000 0.958 193 S CA -0.122 58.084 58.200 0.010 0.000 0.920 193 S CB -0.285 62.923 63.200 0.013 0.000 0.776 193 S HN 0.377 nan 8.310 nan 0.000 0.517 194 K N 2.127 122.533 120.400 0.010 0.000 2.375 194 K HA 0.328 4.649 4.320 0.001 0.000 0.249 194 K C -0.090 176.516 176.600 0.011 0.000 0.942 194 K CA -0.607 55.688 56.287 0.013 0.000 0.806 194 K CB 0.827 33.337 32.500 0.017 0.000 1.227 194 K HN 0.243 nan 8.250 nan 0.000 0.430 195 T N -1.768 112.794 114.554 0.013 0.000 2.900 195 T HA 0.247 4.598 4.350 0.001 0.000 0.307 195 T C 1.524 176.230 174.700 0.010 0.000 1.065 195 T CA 0.139 62.246 62.100 0.010 0.000 1.105 195 T CB 0.978 69.853 68.868 0.013 0.000 0.979 195 T HN 0.513 nan 8.240 nan 0.000 0.544 196 A N 2.720 125.541 122.820 0.002 0.000 1.903 196 A HA -0.022 4.298 4.320 0.001 0.000 0.219 196 A C 2.731 180.317 177.584 0.005 0.000 1.191 196 A CA 2.484 54.517 52.037 -0.006 0.000 0.638 196 A CB -1.657 17.333 19.000 -0.017 0.000 0.823 196 A HN 1.440 nan 8.150 nan 0.000 0.451 197 A N -1.136 121.695 122.820 0.017 0.000 1.978 197 A HA -0.220 4.101 4.320 0.001 0.000 0.220 197 A C 2.111 179.728 177.584 0.055 0.000 1.170 197 A CA 1.765 53.826 52.037 0.040 0.000 0.636 197 A CB -0.526 18.498 19.000 0.041 0.000 0.810 197 A HN 0.716 nan 8.150 nan 0.000 0.448 198 Q N -0.458 119.366 119.800 0.041 0.000 2.046 198 Q HA -0.051 4.290 4.340 0.001 0.000 0.200 198 Q C 2.110 178.140 176.000 0.051 0.000 0.975 198 Q CA 1.295 57.124 55.803 0.044 0.000 0.836 198 Q CB -0.321 28.436 28.738 0.032 0.000 0.896 198 Q HN 0.665 nan 8.270 nan 0.000 0.428 199 L N 0.553 121.800 121.223 0.039 0.000 1.956 199 L HA -0.200 4.140 4.340 0.001 0.000 0.216 199 L C 2.444 179.355 176.870 0.069 0.000 1.073 199 L CA 1.449 56.312 54.840 0.039 0.000 0.762 199 L CB -0.954 41.114 42.059 0.015 0.000 0.889 199 L HN 0.258 nan 8.230 nan 0.000 0.433 200 V N -3.356 116.605 119.914 0.079 0.000 3.284 200 V HA -0.216 3.905 4.120 0.001 0.000 0.273 200 V C 0.878 177.126 176.094 0.258 0.000 1.178 200 V CA 2.076 64.482 62.300 0.177 0.000 1.177 200 V CB -0.636 31.244 31.823 0.096 0.000 0.793 200 V HN 0.461 nan 8.190 nan 0.000 0.536 201 D N -1.549 118.943 120.400 0.154 0.000 2.582 201 D HA 0.347 4.988 4.640 0.001 0.000 0.246 201 D C 1.316 177.665 176.300 0.081 0.000 1.334 201 D CA -0.073 54.003 54.000 0.127 0.000 0.805 201 D CB 0.100 40.974 40.800 0.124 0.000 1.087 201 D HN 0.419 nan 8.370 nan 0.000 0.499 202 I N -0.462 120.152 120.570 0.073 0.000 2.716 202 I HA 0.079 4.250 4.170 0.001 0.000 0.259 202 I C 0.344 176.491 176.117 0.050 0.000 1.172 202 I CA 0.711 62.044 61.300 0.055 0.000 1.478 202 I CB 0.355 38.384 38.000 0.048 0.000 1.104 202 I HN -0.013 nan 8.210 nan 0.000 0.439 203 D N 1.302 121.734 120.400 0.053 0.000 2.584 203 D HA 0.481 5.121 4.640 0.001 0.000 0.238 203 D C -1.152 175.173 176.300 0.041 0.000 1.302 203 D CA 0.136 54.160 54.000 0.041 0.000 0.884 203 D CB 1.043 41.868 40.800 0.042 0.000 1.456 203 D HN 0.122 nan 8.370 nan 0.000 0.528 204 A N 1.958 124.791 122.820 0.022 0.000 2.479 204 A HA 0.914 5.234 4.320 0.001 0.000 0.296 204 A C -0.622 176.931 177.584 -0.051 0.000 1.121 204 A CA -0.624 51.408 52.037 -0.008 0.000 0.743 204 A CB 1.837 20.817 19.000 -0.033 0.000 1.323 204 A HN 0.225 nan 8.150 nan 0.000 0.415 205 K N -0.585 119.773 120.400 -0.069 0.000 2.430 205 K HA 0.752 5.072 4.320 0.001 0.000 0.268 205 K C -1.403 175.015 176.600 -0.304 0.000 1.043 205 K CA -0.702 55.465 56.287 -0.199 0.000 0.899 205 K CB 2.373 34.730 32.500 -0.238 0.000 1.472 205 K HN 0.573 nan 8.250 nan 0.000 0.451 206 T N 1.180 115.393 114.554 -0.568 0.000 2.848 206 T HA 0.628 4.978 4.350 0.001 0.000 0.285 206 T C -1.505 172.797 174.700 -0.664 0.000 0.995 206 T CA -0.603 61.238 62.100 -0.433 0.000 0.970 206 T CB 0.350 69.078 68.868 -0.233 0.000 0.976 206 T HN 0.259 nan 8.240 nan 0.000 0.441 207 F N 1.619 121.459 119.950 -0.184 0.000 2.518 207 F HA 0.385 4.913 4.527 0.001 0.000 0.323 207 F C 0.393 176.093 175.800 -0.168 0.000 1.129 207 F CA -1.215 56.687 58.000 -0.163 0.000 0.920 207 F CB 1.402 40.289 39.000 -0.187 0.000 1.160 207 F HN 0.359 nan 8.300 nan 0.000 0.440 208 E N 4.977 125.188 120.200 0.018 0.000 2.070 208 E HA 0.227 4.577 4.350 0.001 0.000 0.282 208 E C -1.199 175.383 176.600 -0.030 0.000 1.104 208 E CA -0.036 56.358 56.400 -0.010 0.000 0.876 208 E CB 0.430 30.126 29.700 -0.006 0.000 1.055 208 E HN 0.710 nan 8.360 nan 0.000 0.401 209 L N 5.124 126.288 121.223 -0.100 0.000 2.371 209 L HA 0.331 4.671 4.340 0.001 0.000 0.262 209 L C 0.119 177.006 176.870 0.028 0.000 1.054 209 L CA -0.519 54.241 54.840 -0.133 0.000 0.924 209 L CB -0.078 41.643 42.059 -0.563 0.000 1.295 209 L HN 0.552 nan 8.230 nan 0.000 0.441 210 N N 2.820 121.551 118.700 0.051 0.000 2.608 210 N HA -0.228 4.513 4.740 0.001 0.000 0.273 210 N C 1.113 176.677 175.510 0.090 0.000 1.133 210 N CA 0.363 53.460 53.050 0.079 0.000 0.726 210 N CB -0.425 38.128 38.487 0.110 0.000 0.890 210 N HN 1.079 nan 8.380 nan 0.000 0.548 211 G N -0.861 107.975 108.800 0.061 0.000 2.284 211 G HA2 -0.376 3.585 3.960 0.001 0.000 0.261 211 G HA3 -0.376 3.585 3.960 0.001 0.000 0.261 211 G C 0.222 175.168 174.900 0.077 0.000 0.997 211 G CA 0.680 45.818 45.100 0.063 0.000 0.621 211 G HN 0.562 nan 8.290 nan 0.000 0.534 212 S N 1.013 116.771 115.700 0.096 0.000 2.586 212 S HA 0.600 5.071 4.470 0.001 0.000 0.274 212 S C -0.018 174.611 174.600 0.048 0.000 1.281 212 S CA -0.357 57.908 58.200 0.109 0.000 1.035 212 S CB 1.545 64.871 63.200 0.211 0.000 0.962 212 S HN 0.330 nan 8.310 nan 0.000 0.512 213 Q N 2.357 122.209 119.800 0.086 0.000 2.506 213 Q HA 0.331 4.672 4.340 0.001 0.000 0.242 213 Q C -1.146 174.896 176.000 0.069 0.000 1.060 213 Q CA -0.268 55.593 55.803 0.096 0.000 0.826 213 Q CB 1.233 30.081 28.738 0.184 0.000 1.169 213 Q HN 0.423 nan 8.270 nan 0.000 0.521 214 V N 2.733 122.613 119.914 -0.057 0.000 2.383 214 V HA 0.389 4.510 4.120 0.001 0.000 0.275 214 V C 0.490 176.407 176.094 -0.295 0.000 1.036 214 V CA -0.837 61.379 62.300 -0.140 0.000 0.889 214 V CB 1.528 33.238 31.823 -0.188 0.000 0.985 214 V HN 0.415 nan 8.190 nan 0.000 0.459 215 R N 3.073 123.185 120.500 -0.646 0.000 2.357 215 R HA 0.603 4.943 4.340 0.001 0.000 0.296 215 R C -1.133 174.774 176.300 -0.654 0.000 1.052 215 R CA -0.413 55.083 56.100 -1.007 0.000 0.988 215 R CB 1.534 30.666 30.300 -1.947 0.000 1.025 215 R HN 0.537 nan 8.270 nan 0.000 0.469 216 V N 3.526 123.240 119.914 -0.334 0.000 2.419 216 V HA 0.498 4.619 4.120 0.001 0.000 0.287 216 V C -0.229 175.842 176.094 -0.038 0.000 1.017 216 V CA -0.856 61.375 62.300 -0.114 0.000 0.844 216 V CB 1.493 33.291 31.823 -0.042 0.000 1.011 216 V HN 0.881 nan 8.190 nan 0.000 0.429 217 A N 4.323 127.171 122.820 0.047 0.000 2.311 217 A HA 0.930 5.251 4.320 0.001 0.000 0.334 217 A C -0.580 177.060 177.584 0.093 0.000 1.139 217 A CA -0.635 51.470 52.037 0.113 0.000 0.830 217 A CB 1.770 20.934 19.000 0.273 0.000 1.234 217 A HN 0.784 nan 8.150 nan 0.000 0.483 218 Q N 0.179 120.020 119.800 0.068 0.000 2.305 218 Q HA 0.585 4.926 4.340 0.001 0.000 0.271 218 Q C -1.689 174.330 176.000 0.031 0.000 1.046 218 Q CA -0.696 55.129 55.803 0.036 0.000 0.798 218 Q CB 2.081 30.832 28.738 0.022 0.000 1.286 218 Q HN 1.099 nan 8.270 nan 0.000 0.435 219 V N 1.141 121.063 119.914 0.013 0.000 2.588 219 V HA 0.641 4.762 4.120 0.001 0.000 0.304 219 V C -0.969 175.119 176.094 -0.011 0.000 1.042 219 V CA -0.952 61.352 62.300 0.006 0.000 0.877 219 V CB 1.762 33.587 31.823 0.003 0.000 0.996 219 V HN 0.740 nan 8.190 nan 0.000 0.425 220 N N 2.462 121.156 118.700 -0.010 0.000 2.422 220 N HA 0.658 5.399 4.740 0.001 0.000 0.264 220 N C -0.228 175.265 175.510 -0.029 0.000 1.063 220 N CA 0.176 53.212 53.050 -0.022 0.000 0.959 220 N CB 1.577 40.052 38.487 -0.020 0.000 1.087 220 N HN 1.019 nan 8.380 nan 0.000 0.483 221 T N -0.059 114.473 114.554 -0.036 0.000 2.896 221 T HA 0.309 4.659 4.350 0.001 0.000 0.297 221 T C 0.234 174.911 174.700 -0.039 0.000 1.108 221 T CA -0.598 61.480 62.100 -0.037 0.000 1.004 221 T CB 1.286 70.133 68.868 -0.034 0.000 1.159 221 T HN 0.102 nan 8.240 nan 0.000 0.499 222 V N 1.885 121.776 119.914 -0.038 0.000 3.649 222 V HA 0.357 4.478 4.120 0.001 0.000 0.275 222 V C -0.207 175.873 176.094 -0.024 0.000 1.281 222 V CA 0.942 63.220 62.300 -0.037 0.000 1.143 222 V CB -0.184 31.613 31.823 -0.044 0.000 0.892 222 V HN 0.897 nan 8.190 nan 0.000 0.441 223 D N -1.446 118.942 120.400 -0.021 0.000 2.333 223 D HA 0.212 4.853 4.640 0.001 0.000 0.225 223 D C 0.743 177.033 176.300 -0.016 0.000 1.345 223 D CA -0.384 53.609 54.000 -0.012 0.000 0.971 223 D CB 0.452 41.245 40.800 -0.012 0.000 1.451 223 D HN 0.077 nan 8.370 nan 0.000 0.561 224 I N 2.067 122.631 120.570 -0.010 0.000 2.118 224 I HA -0.300 3.871 4.170 0.001 0.000 0.241 224 I C 1.847 177.944 176.117 -0.033 0.000 1.070 224 I CA 0.796 62.079 61.300 -0.027 0.000 1.327 224 I CB -0.241 37.751 38.000 -0.013 0.000 1.034 224 I HN 0.485 nan 8.210 nan 0.000 0.405 225 N N 0.789 119.482 118.700 -0.011 0.000 2.069 225 N HA -0.310 4.430 4.740 0.001 0.000 0.196 225 N C 1.728 177.224 175.510 -0.023 0.000 1.024 225 N CA 1.903 54.943 53.050 -0.017 0.000 0.869 225 N CB -0.675 37.811 38.487 -0.002 0.000 1.035 225 N HN 0.532 nan 8.380 nan 0.000 0.434 226 E N 0.900 121.088 120.200 -0.019 0.000 2.058 226 E HA -0.124 4.227 4.350 0.001 0.000 0.194 226 E C 1.841 178.426 176.600 -0.026 0.000 0.997 226 E CA 1.037 57.426 56.400 -0.019 0.000 0.801 226 E CB 0.167 29.857 29.700 -0.017 0.000 0.746 226 E HN 0.089 nan 8.360 nan 0.000 0.450 227 V N 1.149 121.043 119.914 -0.034 0.000 2.490 227 V HA -0.213 3.907 4.120 0.001 0.000 0.250 227 V C 2.191 178.256 176.094 -0.049 0.000 1.061 227 V CA 0.873 63.149 62.300 -0.039 0.000 1.064 227 V CB -0.349 31.446 31.823 -0.046 0.000 0.670 227 V HN 0.334 nan 8.190 nan 0.000 0.461 228 L N 0.022 121.208 121.223 -0.061 0.000 2.549 228 L HA -0.030 4.311 4.340 0.001 0.000 0.229 228 L C 2.196 179.045 176.870 -0.035 0.000 1.158 228 L CA 1.342 56.138 54.840 -0.072 0.000 0.842 228 L CB -1.118 40.877 42.059 -0.106 0.000 0.952 228 L HN 0.437 nan 8.230 nan 0.000 0.452 229 E N -0.701 119.483 120.200 -0.026 0.000 2.274 229 E HA -0.096 4.255 4.350 0.001 0.000 0.194 229 E C 1.244 177.836 176.600 -0.014 0.000 0.996 229 E CA 0.436 56.827 56.400 -0.014 0.000 0.840 229 E CB 0.145 29.838 29.700 -0.012 0.000 0.772 229 E HN 0.437 nan 8.360 nan 0.000 0.491 230 R N 0.180 120.668 120.500 -0.020 0.000 2.507 230 R HA 0.097 4.438 4.340 0.001 0.000 0.298 230 R C 1.632 177.918 176.300 -0.024 0.000 0.999 230 R CA -0.142 55.947 56.100 -0.020 0.000 1.082 230 R CB 0.236 30.523 30.300 -0.021 0.000 1.246 230 R HN 0.125 nan 8.270 nan 0.000 0.553 231 Q N 1.602 121.390 119.800 -0.021 0.000 2.047 231 Q HA -0.291 4.050 4.340 0.001 0.000 0.211 231 Q C 0.996 176.986 176.000 -0.017 0.000 1.005 231 Q CA 2.295 58.089 55.803 -0.016 0.000 0.866 231 Q CB 0.027 28.775 28.738 0.016 0.000 0.938 231 Q HN 0.263 nan 8.270 nan 0.000 0.414 232 N N 0.380 119.074 118.700 -0.008 0.000 2.018 232 N HA -0.235 4.506 4.740 0.001 0.000 0.196 232 N C 1.520 177.017 175.510 -0.021 0.000 1.043 232 N CA 1.744 54.788 53.050 -0.011 0.000 0.856 232 N CB -0.360 38.124 38.487 -0.006 0.000 1.042 232 N HN 0.421 nan 8.380 nan 0.000 0.423 233 E N 0.206 120.394 120.200 -0.020 0.000 2.219 233 E HA -0.184 4.167 4.350 0.001 0.000 0.198 233 E C 1.694 178.271 176.600 -0.037 0.000 0.998 233 E CA 0.859 57.246 56.400 -0.022 0.000 0.818 233 E CB -0.119 29.571 29.700 -0.017 0.000 0.741 233 E HN 0.415 nan 8.360 nan 0.000 0.477 234 I N 0.965 121.505 120.570 -0.050 0.000 2.235 234 I HA -0.207 3.964 4.170 0.001 0.000 0.241 234 I C 2.286 178.332 176.117 -0.118 0.000 1.085 234 I CA 1.123 62.372 61.300 -0.084 0.000 1.378 234 I CB -0.271 37.677 38.000 -0.086 0.000 1.076 234 I HN 0.095 nan 8.210 nan 0.000 0.415 235 E N 0.507 120.652 120.200 -0.091 0.000 2.171 235 E HA -0.309 4.041 4.350 0.001 0.000 0.197 235 E C 1.890 178.444 176.600 -0.076 0.000 0.997 235 E CA 1.392 57.738 56.400 -0.091 0.000 0.810 235 E CB -0.136 29.538 29.700 -0.043 0.000 0.738 235 E HN 0.408 nan 8.360 nan 0.000 0.467 236 E N 0.923 121.091 120.200 -0.054 0.000 2.028 236 E HA -0.107 4.243 4.350 0.001 0.000 0.191 236 E C 1.970 178.548 176.600 -0.036 0.000 0.988 236 E CA 1.289 57.669 56.400 -0.032 0.000 0.799 236 E CB -0.228 29.460 29.700 -0.020 0.000 0.755 236 E HN 0.231 nan 8.360 nan 0.000 0.447 237 A N 0.369 123.157 122.820 -0.053 0.000 1.978 237 A HA -0.154 4.167 4.320 0.001 0.000 0.220 237 A C 2.268 179.810 177.584 -0.070 0.000 1.170 237 A CA 1.370 53.382 52.037 -0.042 0.000 0.636 237 A CB -0.668 18.304 19.000 -0.046 0.000 0.810 237 A HN 0.336 nan 8.150 nan 0.000 0.448 238 I N -0.655 119.802 120.570 -0.189 0.000 2.133 238 I HA -0.255 3.916 4.170 0.001 0.000 0.238 238 I C 2.418 178.521 176.117 -0.023 0.000 1.074 238 I CA 1.615 62.719 61.300 -0.327 0.000 1.342 238 I CB -0.338 37.329 38.000 -0.555 0.000 1.053 238 I HN 0.255 nan 8.210 nan 0.000 0.404 239 K N 0.955 121.348 120.400 -0.011 0.000 2.127 239 K HA -0.229 4.091 4.320 0.001 0.000 0.208 239 K C 2.163 178.806 176.600 0.071 0.000 1.047 239 K CA 1.649 57.966 56.287 0.050 0.000 0.927 239 K CB -0.343 32.172 32.500 0.024 0.000 0.716 239 K HN 0.372 nan 8.250 nan 0.000 0.450 240 A N 0.821 123.673 122.820 0.053 0.000 1.858 240 A HA -0.201 4.120 4.320 0.001 0.000 0.216 240 A C 2.260 179.898 177.584 0.090 0.000 1.190 240 A CA 2.024 54.095 52.037 0.056 0.000 0.617 240 A CB -0.908 18.116 19.000 0.040 0.000 0.827 240 A HN 0.274 nan 8.150 nan 0.000 0.443 241 S N -0.659 115.136 115.700 0.159 0.000 2.370 241 S HA -0.266 4.205 4.470 0.001 0.000 0.226 241 S C 2.151 176.878 174.600 0.213 0.000 1.033 241 S CA 1.913 60.262 58.200 0.248 0.000 1.011 241 S CB -0.434 63.066 63.200 0.499 0.000 0.852 241 S HN 0.653 nan 8.310 nan 0.000 0.457 242 Q N 0.093 120.089 119.800 0.326 0.000 2.226 242 Q HA -0.041 4.300 4.340 0.001 0.000 0.204 242 Q C 2.404 178.439 176.000 0.060 0.000 0.975 242 Q CA 1.381 57.347 55.803 0.271 0.000 0.866 242 Q CB -0.312 28.613 28.738 0.311 0.000 0.915 242 Q HN 0.705 nan 8.270 nan 0.000 0.440 243 A N 0.803 123.651 122.820 0.046 0.000 1.874 243 A HA 0.017 4.338 4.320 0.001 0.000 0.214 243 A C 2.250 179.808 177.584 -0.044 0.000 1.189 243 A CA 1.285 53.327 52.037 0.007 0.000 0.615 243 A CB -0.677 18.335 19.000 0.020 0.000 0.830 243 A HN 0.367 nan 8.150 nan 0.000 0.443 244 A N -0.005 122.783 122.820 -0.053 0.000 1.929 244 A HA -0.087 4.234 4.320 0.001 0.000 0.216 244 A C 1.552 179.029 177.584 -0.179 0.000 1.176 244 A CA 1.403 53.390 52.037 -0.082 0.000 0.628 244 A CB -0.351 18.623 19.000 -0.043 0.000 0.816 244 A HN 0.546 nan 8.150 nan 0.000 0.444 245 N N -1.087 117.395 118.700 -0.364 0.000 2.214 245 N HA 0.190 4.931 4.740 0.001 0.000 0.214 245 N C 1.078 176.176 175.510 -0.688 0.000 1.132 245 N CA 0.816 53.464 53.050 -0.671 0.000 0.856 245 N CB 0.781 38.498 38.487 -1.283 0.000 1.020 245 N HN 0.568 nan 8.380 nan 0.000 0.509 246 G N 1.085 109.678 108.800 -0.346 0.000 2.220 246 G HA2 -0.342 3.618 3.960 0.001 0.000 0.269 246 G HA3 -0.342 3.618 3.960 0.001 0.000 0.269 246 G C 0.031 174.926 174.900 -0.007 0.000 0.977 246 G CA 0.045 45.059 45.100 -0.144 0.000 0.634 246 G HN 0.533 nan 8.290 nan 0.000 0.539 247 Y N 1.521 121.849 120.300 0.047 0.000 2.881 247 Y HA 0.117 4.667 4.550 0.001 0.000 0.335 247 Y C 2.063 178.015 175.900 0.086 0.000 1.263 247 Y CA 0.272 58.404 58.100 0.055 0.000 1.572 247 Y CB 0.474 38.972 38.460 0.063 0.000 1.237 247 Y HN 0.326 nan 8.280 nan 0.000 0.568 248 S N 0.375 116.229 115.700 0.257 0.000 2.478 248 S HA 0.045 4.515 4.470 0.001 0.000 0.222 248 S C -0.043 174.689 174.600 0.220 0.000 1.008 248 S CA 0.164 58.484 58.200 0.201 0.000 0.928 248 S CB 0.366 63.672 63.200 0.177 0.000 0.781 248 S HN 0.656 nan 8.310 nan 0.000 0.518 249 D N -0.376 120.160 120.400 0.226 0.000 2.859 249 D HA 0.389 5.030 4.640 0.001 0.000 0.223 249 D C -2.103 174.313 176.300 0.193 0.000 1.218 249 D CA -0.367 53.774 54.000 0.234 0.000 0.850 249 D CB 1.903 42.873 40.800 0.282 0.000 1.656 249 D HN 0.285 nan 8.370 nan 0.000 0.484 250 F N 1.782 121.786 119.950 0.091 0.000 2.536 250 F HA 0.411 4.938 4.527 0.001 0.000 0.322 250 F C -1.145 174.691 175.800 0.059 0.000 1.144 250 F CA -0.646 57.377 58.000 0.037 0.000 0.924 250 F CB 1.440 40.474 39.000 0.057 0.000 1.181 250 F HN 0.008 nan 8.300 nan 0.000 0.438 251 V N 7.200 127.367 119.914 0.421 0.000 2.378 251 V HA 0.338 4.458 4.120 0.001 0.000 0.288 251 V C -0.400 175.901 176.094 0.344 0.000 1.016 251 V CA -0.618 61.873 62.300 0.318 0.000 0.840 251 V CB 1.320 33.258 31.823 0.193 0.000 0.994 251 V HN 0.623 nan 8.190 nan 0.000 0.431 255 T N 2.568 117.076 114.554 -0.076 0.000 2.752 255 T HA 0.057 4.407 4.350 0.001 0.000 0.295 255 T C 0.095 174.754 174.700 -0.068 0.000 0.923 255 T CA 0.171 62.221 62.100 -0.084 0.000 1.112 255 T CB 0.704 69.533 68.868 -0.064 0.000 0.884 255 T HN 0.379 nan 8.240 nan 0.000 0.525 256 D N 4.011 124.366 120.400 -0.076 0.000 2.374 256 D HA 0.031 4.672 4.640 0.001 0.000 0.240 256 D C 1.366 177.639 176.300 -0.045 0.000 1.229 256 D CA -0.668 53.303 54.000 -0.049 0.000 0.895 256 D CB 0.396 41.178 40.800 -0.029 0.000 1.046 256 D HN 0.662 nan 8.370 nan 0.000 0.498 257 I N 0.506 121.051 120.570 -0.043 0.000 3.444 257 I HA -0.055 4.115 4.170 0.001 0.000 0.287 257 I C 0.387 176.481 176.117 -0.038 0.000 1.302 257 I CA 0.149 61.424 61.300 -0.041 0.000 1.368 257 I CB 0.056 38.029 38.000 -0.045 0.000 1.048 257 I HN 0.170 nan 8.210 nan 0.000 0.487 258 L N 0.545 121.750 121.223 -0.031 0.000 2.575 258 L HA 0.241 4.581 4.340 0.001 0.000 0.228 258 L C 1.690 178.554 176.870 -0.010 0.000 1.075 258 L CA 0.695 55.519 54.840 -0.025 0.000 0.867 258 L CB -0.405 41.638 42.059 -0.027 0.000 1.097 258 L HN 0.189 nan 8.230 nan 0.000 0.485 259 N N -1.240 117.459 118.700 -0.001 0.000 2.227 259 N HA 0.074 4.815 4.740 0.001 0.000 0.196 259 N C 0.141 175.658 175.510 0.011 0.000 1.142 259 N CA 0.589 53.650 53.050 0.018 0.000 0.887 259 N CB 0.758 39.276 38.487 0.051 0.000 1.022 259 N HN 0.002 nan 8.380 nan 0.000 0.500 260 S N 0.713 116.405 115.700 -0.014 0.000 3.808 260 S HA -0.108 4.363 4.470 0.001 0.000 0.312 260 S C -0.414 174.151 174.600 -0.058 0.000 1.134 260 S CA 0.174 58.356 58.200 -0.030 0.000 0.884 260 S CB -1.537 61.655 63.200 -0.014 0.000 0.918 260 S HN 0.393 nan 8.310 nan 0.000 0.523 261 N N 0.435 119.076 118.700 -0.100 0.000 2.453 261 N HA 0.727 5.467 4.740 0.001 0.000 0.290 261 N C -0.904 174.431 175.510 -0.290 0.000 1.250 261 N CA -0.597 52.305 53.050 -0.246 0.000 0.815 261 N CB 2.075 40.349 38.487 -0.355 0.000 1.381 261 N HN 0.120 nan 8.380 nan 0.000 0.510 262 S N 0.272 115.723 115.700 -0.415 0.000 2.736 262 S HA 0.152 4.622 4.470 0.001 0.000 0.285 262 S C -0.831 173.536 174.600 -0.389 0.000 1.163 262 S CA -0.603 57.407 58.200 -0.316 0.000 1.025 262 S CB 1.796 64.859 63.200 -0.228 0.000 1.030 262 S HN 0.525 nan 8.310 nan 0.000 0.486 263 E N 3.076 123.091 120.200 -0.309 0.000 2.338 263 E HA 0.294 4.645 4.350 0.001 0.000 0.272 263 E C -0.725 175.785 176.600 -0.150 0.000 1.029 263 E CA -0.216 56.047 56.400 -0.229 0.000 0.872 263 E CB 0.375 29.973 29.700 -0.171 0.000 1.015 263 E HN 0.350 nan 8.360 nan 0.000 0.417 264 I N 6.134 126.652 120.570 -0.087 0.000 2.328 264 I HA 0.236 4.407 4.170 0.001 0.000 0.287 264 I C -0.425 175.696 176.117 0.006 0.000 1.012 264 I CA -0.607 60.670 61.300 -0.038 0.000 1.195 264 I CB 0.625 38.646 38.000 0.035 0.000 1.350 264 I HN 0.628 nan 8.210 nan 0.000 0.464 265 L N 6.727 127.969 121.223 0.032 0.000 2.272 265 L HA 0.789 5.130 4.340 0.001 0.000 0.289 265 L C -0.433 176.491 176.870 0.090 0.000 1.032 265 L CA -0.286 54.597 54.840 0.071 0.000 0.810 265 L CB 1.341 43.415 42.059 0.024 0.000 1.205 265 L HN 0.720 nan 8.230 nan 0.000 0.422 266 A N 6.641 129.516 122.820 0.091 0.000 2.398 266 A HA 0.774 5.095 4.320 0.001 0.000 0.301 266 A C -1.479 176.166 177.584 0.102 0.000 1.041 266 A CA -0.522 51.594 52.037 0.133 0.000 0.711 266 A CB 1.434 20.543 19.000 0.181 0.000 1.240 266 A HN 0.697 nan 8.150 nan 0.000 0.420 267 L N 1.826 123.124 121.223 0.125 0.000 2.386 267 L HA 0.913 5.253 4.340 0.001 0.000 0.271 267 L C 0.486 177.446 176.870 0.149 0.000 0.993 267 L CA -0.295 54.605 54.840 0.101 0.000 0.819 267 L CB 2.391 44.487 42.059 0.062 0.000 1.294 267 L HN 1.269 nan 8.230 nan 0.000 0.414 268 G N 1.233 110.106 108.800 0.122 0.000 2.368 268 G HA2 -0.081 3.880 3.960 0.001 0.000 0.302 268 G HA3 -0.081 3.880 3.960 0.001 0.000 0.302 268 G C -0.302 174.664 174.900 0.109 0.000 1.329 268 G CA -0.633 44.550 45.100 0.140 0.000 0.935 268 G HN 0.458 nan 8.290 nan 0.000 0.590 269 N N 0.269 119.037 118.700 0.113 0.000 2.244 269 N HA -0.069 4.672 4.740 0.001 0.000 0.183 269 N C 0.570 176.116 175.510 0.059 0.000 1.016 269 N CA 1.060 54.160 53.050 0.082 0.000 0.866 269 N CB -0.042 38.498 38.487 0.088 0.000 0.980 269 N HN 0.481 nan 8.380 nan 0.000 0.430 270 N N 0.936 119.685 118.700 0.082 0.000 2.908 270 N HA 0.066 4.806 4.740 0.001 0.000 0.316 270 N C 0.175 175.696 175.510 0.017 0.000 1.619 270 N CA 0.080 53.123 53.050 -0.012 0.000 1.045 270 N CB 0.558 38.986 38.487 -0.099 0.000 1.357 270 N HN 0.201 nan 8.380 nan 0.000 0.501 271 T N -2.856 111.729 114.554 0.050 0.000 3.317 271 T HA 0.041 4.392 4.350 0.001 0.000 0.250 271 T C 0.543 175.279 174.700 0.060 0.000 1.106 271 T CA 0.060 62.210 62.100 0.084 0.000 0.986 271 T CB -0.201 68.711 68.868 0.073 0.000 1.010 271 T HN 0.216 nan 8.240 nan 0.000 0.560 272 D N -0.330 120.067 120.400 -0.004 0.000 2.469 272 D HA 0.142 4.782 4.640 0.001 0.000 0.240 272 D C 1.911 178.161 176.300 -0.084 0.000 1.087 272 D CA -0.350 53.640 54.000 -0.017 0.000 0.876 272 D CB 0.037 40.812 40.800 -0.041 0.000 1.160 272 D HN -0.008 nan 8.370 nan 0.000 0.497 273 K N 0.922 121.182 120.400 -0.234 0.000 2.211 273 K HA 0.020 4.341 4.320 0.001 0.000 0.203 273 K C 1.903 178.383 176.600 -0.200 0.000 1.050 273 K CA 0.473 56.474 56.287 -0.476 0.000 0.945 273 K CB -0.093 31.561 32.500 -1.411 0.000 0.732 273 K HN 0.186 nan 8.250 nan 0.000 0.451 274 V N 1.490 121.424 119.914 0.033 0.000 2.346 274 V HA -0.170 3.951 4.120 0.001 0.000 0.244 274 V C 2.120 178.421 176.094 0.344 0.000 1.037 274 V CA 1.447 63.904 62.300 0.261 0.000 1.029 274 V CB -0.298 31.805 31.823 0.467 0.000 0.663 274 V HN 0.328 nan 8.190 nan 0.000 0.454 275 E N 0.832 121.284 120.200 0.419 0.000 2.038 275 E HA -0.237 4.113 4.350 0.001 0.000 0.195 275 E C 2.252 178.955 176.600 0.172 0.000 1.000 275 E CA 1.484 58.212 56.400 0.546 0.000 0.803 275 E CB -0.390 29.506 29.700 0.327 0.000 0.750 275 E HN 0.560 nan 8.360 nan 0.000 0.448 276 A N 1.167 124.006 122.820 0.032 0.000 2.125 276 A HA -0.044 4.276 4.320 0.001 0.000 0.219 276 A C 2.259 179.735 177.584 -0.180 0.000 1.156 276 A CA 1.475 53.474 52.037 -0.063 0.000 0.671 276 A CB -0.380 18.572 19.000 -0.081 0.000 0.794 276 A HN 0.288 nan 8.150 nan 0.000 0.459 277 A N -1.488 121.155 122.820 -0.295 0.000 1.935 277 A HA 0.297 4.617 4.320 0.001 0.000 0.214 277 A C 1.254 178.274 177.584 -0.940 0.000 1.178 277 A CA 0.814 52.480 52.037 -0.617 0.000 0.640 277 A CB -0.272 18.265 19.000 -0.771 0.000 0.825 277 A HN 0.486 nan 8.150 nan 0.000 0.447 278 F N -0.025 119.619 119.950 -0.510 0.000 2.735 278 F HA 0.242 4.770 4.527 0.001 0.000 0.304 278 F C 0.386 175.775 175.800 -0.687 0.000 1.119 278 F CA -0.671 56.818 58.000 -0.852 0.000 1.280 278 F CB 0.070 38.028 39.000 -1.737 0.000 0.994 278 F HN 0.086 nan 8.300 nan 0.000 0.520 279 N N 2.010 120.576 118.700 -0.223 0.000 2.693 279 N HA -0.267 4.473 4.740 0.001 0.000 0.250 279 N C -0.397 175.201 175.510 0.147 0.000 1.033 279 N CA 1.414 54.452 53.050 -0.021 0.000 0.747 279 N CB -1.641 36.831 38.487 -0.025 0.000 0.964 279 N HN 0.624 nan 8.380 nan 0.000 0.540 280 F N -3.026 116.996 119.950 0.120 0.000 2.712 280 F HA 0.728 5.255 4.527 0.001 0.000 0.367 280 F C 0.218 176.068 175.800 0.085 0.000 1.132 280 F CA -1.153 56.914 58.000 0.111 0.000 1.066 280 F CB 1.467 40.553 39.000 0.145 0.000 1.416 280 F HN -0.243 nan 8.300 nan 0.000 0.515 281 T N 2.054 116.723 114.554 0.191 0.000 2.890 281 T HA 0.350 4.700 4.350 0.001 0.000 0.295 281 T C -0.585 174.004 174.700 -0.185 0.000 0.993 281 T CA -0.599 61.509 62.100 0.014 0.000 0.979 281 T CB 1.310 70.198 68.868 0.034 0.000 0.967 281 T HN 0.447 nan 8.240 nan 0.000 0.441 282 L N 4.572 125.652 121.223 -0.238 0.000 2.704 282 L HA 0.180 4.520 4.340 0.001 0.000 0.279 282 L C 0.659 177.401 176.870 -0.213 0.000 1.147 282 L CA 0.369 55.043 54.840 -0.277 0.000 0.994 282 L CB -0.342 41.605 42.059 -0.187 0.000 1.332 282 L HN 0.361 nan 8.230 nan 0.000 0.471 283 K N 4.419 124.666 120.400 -0.255 0.000 2.266 283 K HA 0.166 4.486 4.320 0.001 0.000 0.274 283 K C 0.406 176.778 176.600 -0.381 0.000 1.090 283 K CA -0.233 55.917 56.287 -0.228 0.000 0.925 283 K CB 0.393 32.798 32.500 -0.158 0.000 1.225 283 K HN 0.578 nan 8.250 nan 0.000 0.458 284 N N 3.246 121.772 118.700 -0.289 0.000 3.049 284 N HA -0.177 4.564 4.740 0.001 0.000 0.243 284 N C -0.693 174.648 175.510 -0.281 0.000 1.053 284 N CA 0.183 53.061 53.050 -0.287 0.000 0.869 284 N CB -0.380 37.902 38.487 -0.342 0.000 1.114 284 N HN 0.778 nan 8.380 nan 0.000 0.547 285 N N -1.180 117.384 118.700 -0.226 0.000 2.999 285 N HA -0.167 4.573 4.740 0.001 0.000 0.242 285 N C -1.160 174.320 175.510 -0.050 0.000 1.016 285 N CA 1.871 54.859 53.050 -0.103 0.000 0.894 285 N CB -1.574 36.897 38.487 -0.026 0.000 1.113 285 N HN 0.973 nan 8.380 nan 0.000 0.555 286 H N -2.769 116.231 119.070 -0.117 0.000 3.068 286 H HA 0.839 5.396 4.556 0.001 0.000 0.342 286 H C -1.032 174.155 175.328 -0.235 0.000 1.284 286 H CA -0.291 55.661 56.048 -0.161 0.000 1.181 286 H CB 0.740 30.448 29.762 -0.090 0.000 1.898 286 H HN 0.140 nan 8.280 nan 0.000 0.540 287 A N 1.382 124.112 122.820 -0.149 0.000 2.532 287 A HA 0.633 4.953 4.320 0.001 0.000 0.290 287 A C -1.804 175.814 177.584 0.057 0.000 1.143 287 A CA -0.867 51.037 52.037 -0.221 0.000 0.728 287 A CB 1.357 19.753 19.000 -1.007 0.000 1.317 287 A HN 0.568 nan 8.150 nan 0.000 0.414 288 F N 0.820 120.805 119.950 0.058 0.000 2.404 288 F HA 0.517 5.045 4.527 0.001 0.000 0.358 288 F C -0.132 175.788 175.800 0.200 0.000 1.120 288 F CA -0.651 57.412 58.000 0.105 0.000 1.144 288 F CB 1.282 40.327 39.000 0.076 0.000 1.133 288 F HN 0.305 nan 8.300 nan 0.000 0.495 289 L N 7.130 128.221 121.223 -0.220 0.000 2.494 289 L HA 0.551 4.892 4.340 0.001 0.000 0.251 289 L C 0.306 177.009 176.870 -0.279 0.000 1.119 289 L CA -0.404 54.347 54.840 -0.150 0.000 1.026 289 L CB -0.552 41.350 42.059 -0.261 0.000 1.370 289 L HN 0.664 nan 8.230 nan 0.000 0.426 290 A N 2.275 125.020 122.820 -0.125 0.000 2.614 290 A HA 0.364 4.684 4.320 0.001 0.000 0.231 290 A C 1.660 179.211 177.584 -0.055 0.000 1.076 290 A CA 0.761 52.779 52.037 -0.031 0.000 0.767 290 A CB -0.486 18.624 19.000 0.184 0.000 1.012 290 A HN 1.740 nan 8.150 nan 0.000 0.512 291 G N -0.104 108.675 108.800 -0.035 0.000 2.238 291 G HA2 0.041 4.001 3.960 0.001 0.000 0.270 291 G HA3 0.041 4.001 3.960 0.001 0.000 0.270 291 G C 0.695 175.559 174.900 -0.060 0.000 0.977 291 G CA 1.090 46.171 45.100 -0.032 0.000 0.639 291 G HN 2.357 nan 8.290 nan 0.000 0.544 292 A N -0.149 122.605 122.820 -0.109 0.000 2.404 292 A HA 0.703 5.024 4.320 0.001 0.000 0.273 292 A C 1.274 178.795 177.584 -0.104 0.000 1.144 292 A CA 0.870 52.838 52.037 -0.116 0.000 0.806 292 A CB 0.880 19.769 19.000 -0.185 0.000 1.080 292 A HN 1.723 nan 8.150 nan 0.000 0.509 293 V N -0.450 119.423 119.914 -0.068 0.000 3.443 293 V HA 0.375 4.496 4.120 0.001 0.000 0.277 293 V C 0.289 176.364 176.094 -0.032 0.000 1.648 293 V CA 0.626 62.895 62.300 -0.052 0.000 1.058 293 V CB -0.376 31.424 31.823 -0.038 0.000 0.877 293 V HN 0.792 nan 8.190 nan 0.000 0.417 294 S N 0.970 116.653 115.700 -0.028 0.000 2.605 294 S HA 0.533 5.004 4.470 0.001 0.000 0.308 294 S C 0.690 175.280 174.600 -0.017 0.000 1.113 294 S CA -0.200 57.993 58.200 -0.012 0.000 1.049 294 S CB 1.975 65.173 63.200 -0.003 0.000 1.001 294 S HN 0.523 nan 8.310 nan 0.000 0.480 295 R N 4.281 124.775 120.500 -0.010 0.000 2.073 295 R HA -0.061 4.280 4.340 0.001 0.000 0.234 295 R C 2.018 178.295 176.300 -0.038 0.000 1.134 295 R CA 2.104 58.190 56.100 -0.023 0.000 0.952 295 R CB -0.262 30.038 30.300 0.000 0.000 0.850 295 R HN 0.742 nan 8.270 nan 0.000 0.433 296 K N -0.049 120.347 120.400 -0.007 0.000 2.167 296 K HA -0.058 4.263 4.320 0.001 0.000 0.203 296 K C 1.494 178.086 176.600 -0.013 0.000 1.052 296 K CA 1.087 57.368 56.287 -0.009 0.000 0.956 296 K CB 0.079 32.603 32.500 0.040 0.000 0.735 296 K HN 0.095 nan 8.250 nan 0.000 0.451 297 K N 0.327 120.724 120.400 -0.004 0.000 2.379 297 K HA 0.058 4.379 4.320 0.001 0.000 0.194 297 K C 0.871 177.472 176.600 0.002 0.000 1.031 297 K CA 0.508 56.794 56.287 -0.003 0.000 1.037 297 K CB 0.489 32.989 32.500 -0.000 0.000 0.824 297 K HN 0.285 nan 8.250 nan 0.000 0.516 298 Q N -1.062 118.743 119.800 0.007 0.000 2.040 298 Q HA 0.115 4.456 4.340 0.001 0.000 0.212 298 Q C 0.739 176.806 176.000 0.112 0.000 0.766 298 Q CA -0.083 55.739 55.803 0.033 0.000 0.967 298 Q CB 1.546 30.283 28.738 -0.002 0.000 1.202 298 Q HN -0.049 nan 8.270 nan 0.000 0.446 299 V N -1.397 118.573 119.914 0.093 0.000 3.165 299 V HA -0.004 4.117 4.120 0.001 0.000 0.231 299 V C 1.661 177.799 176.094 0.073 0.000 1.365 299 V CA 0.325 62.756 62.300 0.218 0.000 1.286 299 V CB 0.945 32.794 31.823 0.043 0.000 1.081 299 V HN 0.032 nan 8.190 nan 0.000 0.477 300 V N 1.333 121.177 119.914 -0.116 0.000 2.233 300 V HA -0.150 3.971 4.120 0.001 0.000 0.247 300 V C -0.098 175.892 176.094 -0.175 0.000 1.050 300 V CA 2.939 65.077 62.300 -0.270 0.000 1.010 300 V CB -1.651 30.008 31.823 -0.272 0.000 0.637 300 V HN 0.436 nan 8.190 nan 0.000 0.444 301 P HA -0.251 nan 4.420 nan 0.000 0.212 301 P C 1.841 179.068 177.300 -0.122 0.000 1.174 301 P CA 2.035 65.082 63.100 -0.088 0.000 0.934 301 P CB -0.317 31.347 31.700 -0.060 0.000 0.791 302 Q N -0.833 118.859 119.800 -0.180 0.000 2.096 302 Q HA -0.196 4.144 4.340 0.001 0.000 0.208 302 Q C 2.138 177.969 176.000 -0.281 0.000 0.993 302 Q CA 1.593 57.209 55.803 -0.312 0.000 0.862 302 Q CB -1.819 26.554 28.738 -0.609 0.000 0.915 302 Q HN 0.217 nan 8.270 nan 0.000 0.416 303 L N 1.454 122.526 121.223 -0.251 0.000 1.994 303 L HA -0.113 4.228 4.340 0.001 0.000 0.208 303 L C 2.495 179.405 176.870 0.067 0.000 1.071 303 L CA 2.296 57.122 54.840 -0.023 0.000 0.745 303 L CB -1.395 40.608 42.059 -0.092 0.000 0.892 303 L HN 0.245 nan 8.230 nan 0.000 0.431 304 T N -1.237 113.264 114.554 -0.088 0.000 2.822 304 T HA -0.247 4.104 4.350 0.001 0.000 0.270 304 T C 1.794 176.505 174.700 0.017 0.000 1.064 304 T CA 1.655 63.720 62.100 -0.059 0.000 1.131 304 T CB -0.084 68.737 68.868 -0.078 0.000 0.858 304 T HN 0.434 nan 8.240 nan 0.000 0.483 305 E N -0.062 120.134 120.200 -0.006 0.000 2.166 305 E HA -0.000 4.351 4.350 0.001 0.000 0.192 305 E C 2.371 178.974 176.600 0.005 0.000 0.967 305 E CA 0.524 56.917 56.400 -0.012 0.000 0.840 305 E CB -0.059 29.607 29.700 -0.057 0.000 0.795 305 E HN 0.333 nan 8.360 nan 0.000 0.470 306 S N -0.303 115.400 115.700 0.006 0.000 2.368 306 S HA -0.096 4.375 4.470 0.001 0.000 0.224 306 S C 1.314 175.886 174.600 -0.047 0.000 1.029 306 S CA 0.777 58.944 58.200 -0.055 0.000 0.988 306 S CB -0.306 62.814 63.200 -0.133 0.000 0.838 306 S HN 0.313 nan 8.310 nan 0.000 0.462 307 F N 1.950 121.862 119.950 -0.063 0.000 2.771 307 F HA 0.320 4.848 4.527 0.001 0.000 0.299 307 F C 0.528 176.311 175.800 -0.027 0.000 1.177 307 F CA -0.067 57.914 58.000 -0.032 0.000 1.450 307 F CB -1.213 37.774 39.000 -0.020 0.000 1.114 307 F HN 0.150 nan 8.300 nan 0.000 0.587 308 N N 0.277 119.042 118.700 0.108 0.000 3.351 308 N HA 0.058 4.798 4.740 0.001 0.000 0.282 308 N C 0.331 175.875 175.510 0.058 0.000 1.898 308 N CA 0.733 53.814 53.050 0.052 0.000 2.037 308 N CB -0.821 37.683 38.487 0.028 0.000 0.724 308 N HN 0.640 nan 8.380 nan 0.000 0.535 309 G N 0.000 108.819 108.800 0.032 0.000 5.446 309 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 309 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 309 G CA 0.000 45.114 45.100 0.023 0.000 0.502 309 G HN 0.000 nan 8.290 nan 0.000 0.925