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 2aba_1_A DATA FIRST_RESID 3 DATA SEQUENCE EKLFTPLKVG AVTAPNRVFM APLTRLRSIE PGDIPTPLMG EYYRQRASAG DATA SEQUENCE LIISEATQIS AQAKGYAGAP GLHSPEQIAA WKKITAGVHA EDGRIAVQLW DATA SEQUENCE HTGRISHSSI QPGGQAPVSA SALNANTRTS LRDENGNAIR VDTTTPRALE DATA SEQUENCE LDEIPGIVND FRQAVANARE AGFDLVELHS AHGYLLHQFL SPSSNQRTDQ DATA SEQUENCE YGGSVENRAR LVLEVVDAVC NEWSADRIGI RVSPIGTFQN VDNGPNEEAD DATA SEQUENCE ALYLIEELAK RGIAYLHMSE TDLAGGKPYS EAFRQKVRER FHGVIIGAGA DATA SEQUENCE YTAEKAEDLI GKGLIDAVAF GRDYIANPDL VARLQKKAEL NPQRPESFYG DATA SEQUENCE GGAEGYTDYP SL 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 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.648 176.600 0.080 0.000 1.382 3 E CA 0.000 56.495 56.400 0.158 0.000 0.976 3 E CB 0.000 29.835 29.700 0.224 0.000 0.812 4 K N 0.496 120.889 120.400 -0.012 0.000 2.209 4 K HA 0.126 4.446 4.320 0.001 0.000 0.204 4 K C 2.182 178.684 176.600 -0.163 0.000 1.048 4 K CA 1.699 57.951 56.287 -0.058 0.000 0.940 4 K CB -0.710 31.756 32.500 -0.057 0.000 0.729 4 K HN 0.720 nan 8.250 nan 0.000 0.451 5 L N -0.921 120.100 121.223 -0.337 0.000 2.187 5 L HA -0.050 4.291 4.340 0.001 0.000 0.213 5 L C 0.975 177.387 176.870 -0.764 0.000 1.100 5 L CA 1.086 55.537 54.840 -0.649 0.000 0.765 5 L CB -0.145 41.298 42.059 -1.027 0.000 0.904 5 L HN 0.455 nan 8.230 nan 0.000 0.437 6 F N -1.292 118.669 119.950 0.018 0.000 2.750 6 F HA 0.153 4.680 4.527 0.001 0.000 0.297 6 F C 1.014 176.827 175.800 0.021 0.000 1.138 6 F CA -0.656 57.359 58.000 0.024 0.000 1.346 6 F CB -0.423 38.588 39.000 0.018 0.000 0.965 6 F HN -0.121 nan 8.300 nan 0.000 0.514 7 T N -2.281 112.313 114.554 0.066 0.000 2.918 7 T HA 0.624 4.974 4.350 0.001 0.000 0.286 7 T C -2.894 171.830 174.700 0.041 0.000 1.026 7 T CA -2.781 59.352 62.100 0.056 0.000 1.031 7 T CB 2.464 71.347 68.868 0.026 0.000 1.046 7 T HN -0.272 nan 8.240 nan 0.000 0.479 8 P HA 0.502 nan 4.420 nan 0.000 0.272 8 P C -1.189 176.130 177.300 0.031 0.000 1.240 8 P CA -0.673 62.454 63.100 0.045 0.000 0.791 8 P CB 0.393 32.117 31.700 0.038 0.000 0.978 9 L N 0.162 121.413 121.223 0.046 0.000 2.505 9 L HA 0.388 4.729 4.340 0.001 0.000 0.266 9 L C -0.641 176.258 176.870 0.049 0.000 0.954 9 L CA -0.759 54.105 54.840 0.041 0.000 0.852 9 L CB 2.037 44.126 42.059 0.050 0.000 1.282 9 L HN 0.012 nan 8.230 nan 0.000 0.403 10 K N 3.885 124.303 120.400 0.031 0.000 2.339 10 K HA 0.604 4.925 4.320 0.001 0.000 0.286 10 K C -1.089 175.537 176.600 0.043 0.000 1.050 10 K CA -0.188 56.114 56.287 0.025 0.000 0.956 10 K CB 0.589 33.094 32.500 0.008 0.000 0.990 10 K HN 0.490 nan 8.250 nan 0.000 0.475 11 V N 5.313 125.255 119.914 0.046 0.000 2.327 11 V HA 0.495 4.616 4.120 0.001 0.000 0.272 11 V C 1.230 177.353 176.094 0.048 0.000 1.019 11 V CA -0.053 62.294 62.300 0.079 0.000 0.814 11 V CB 0.093 31.971 31.823 0.091 0.000 1.040 11 V HN 1.275 nan 8.190 nan 0.000 0.440 12 G N 4.706 113.525 108.800 0.032 0.000 2.651 12 G HA2 -0.245 3.715 3.960 0.001 0.000 0.315 12 G HA3 -0.245 3.715 3.960 0.001 0.000 0.315 12 G C 1.131 176.001 174.900 -0.050 0.000 1.258 12 G CA 0.713 45.798 45.100 -0.025 0.000 1.002 12 G HN 1.472 nan 8.290 nan 0.000 0.551 13 A N -0.165 122.600 122.820 -0.091 0.000 2.235 13 A HA 0.520 4.840 4.320 0.001 0.000 0.208 13 A C 1.326 178.874 177.584 -0.060 0.000 1.172 13 A CA 2.413 54.395 52.037 -0.091 0.000 0.786 13 A CB -0.751 18.159 19.000 -0.150 0.000 0.804 13 A HN 2.229 nan 8.150 nan 0.000 0.479 14 V N -4.975 114.912 119.914 -0.045 0.000 3.126 14 V HA 0.789 4.910 4.120 0.001 0.000 0.314 14 V C -0.502 175.581 176.094 -0.018 0.000 1.138 14 V CA -0.630 61.650 62.300 -0.034 0.000 1.034 14 V CB 1.600 33.400 31.823 -0.038 0.000 1.075 14 V HN -0.050 nan 8.190 nan 0.000 0.442 15 T N 2.196 116.742 114.554 -0.013 0.000 2.815 15 T HA 0.758 5.109 4.350 0.001 0.000 0.289 15 T C -0.003 174.702 174.700 0.008 0.000 1.000 15 T CA 0.189 62.292 62.100 0.004 0.000 0.958 15 T CB 1.058 69.929 68.868 0.006 0.000 0.944 15 T HN 1.331 nan 8.240 nan 0.000 0.442 16 A N 5.326 128.164 122.820 0.029 0.000 2.409 16 A HA 0.536 4.857 4.320 0.001 0.000 0.262 16 A C -1.205 176.426 177.584 0.079 0.000 1.113 16 A CA -1.397 50.671 52.037 0.051 0.000 0.790 16 A CB 0.311 19.394 19.000 0.139 0.000 1.046 16 A HN 0.532 nan 8.150 nan 0.000 0.496 17 P HA -0.009 nan 4.420 nan 0.000 0.236 17 P C -0.341 177.029 177.300 0.116 0.000 1.177 17 P CA 0.834 63.984 63.100 0.084 0.000 0.773 17 P CB -0.105 31.639 31.700 0.074 0.000 0.878 18 N N -1.921 116.868 118.700 0.148 0.000 2.934 18 N HA 0.257 4.998 4.740 0.001 0.000 0.253 18 N C 0.128 175.728 175.510 0.150 0.000 1.466 18 N CA -0.871 52.265 53.050 0.143 0.000 0.858 18 N CB 0.506 39.126 38.487 0.222 0.000 1.459 18 N HN -0.415 nan 8.380 nan 0.000 0.532 19 R N -0.247 120.241 120.500 -0.021 0.000 2.427 19 R HA 0.309 4.650 4.340 0.001 0.000 0.262 19 R C -0.451 175.684 176.300 -0.275 0.000 0.943 19 R CA -0.176 55.781 56.100 -0.238 0.000 1.081 19 R CB -0.442 29.664 30.300 -0.323 0.000 1.166 19 R HN 0.451 nan 8.270 nan 0.000 0.534 20 V N 3.485 123.453 119.914 0.090 0.000 2.320 20 V HA 0.261 4.381 4.120 0.001 0.000 0.265 20 V C -0.348 176.081 176.094 0.557 0.000 1.048 20 V CA -0.307 62.163 62.300 0.284 0.000 0.865 20 V CB 0.144 32.151 31.823 0.306 0.000 1.043 20 V HN -0.073 nan 8.190 nan 0.000 0.474 21 F N 3.583 123.596 119.950 0.106 0.000 2.432 21 F HA 0.561 5.088 4.527 0.001 0.000 0.329 21 F C 0.356 176.200 175.800 0.073 0.000 1.076 21 F CA -2.047 55.948 58.000 -0.008 0.000 1.018 21 F CB 1.782 40.656 39.000 -0.212 0.000 1.201 21 F HN 0.342 nan 8.300 nan 0.000 0.489 22 M N 2.800 122.367 119.600 -0.056 0.000 2.084 22 M HA 0.573 5.054 4.480 0.001 0.000 0.351 22 M C -0.272 176.005 176.300 -0.039 0.000 1.240 22 M CA -0.435 54.686 55.300 -0.297 0.000 1.083 22 M CB 0.475 32.560 32.600 -0.859 0.000 1.593 22 M HN 0.682 nan 8.290 nan 0.000 0.463 23 A N 7.587 130.462 122.820 0.092 0.000 2.466 23 A HA 0.442 4.763 4.320 0.001 0.000 0.238 23 A C -2.433 175.202 177.584 0.086 0.000 1.074 23 A CA -1.071 51.041 52.037 0.125 0.000 0.774 23 A CB -0.692 18.397 19.000 0.147 0.000 1.015 23 A HN 0.653 nan 8.150 nan 0.000 0.498 24 P HA 0.261 nan 4.420 nan 0.000 0.267 24 P C -1.135 176.194 177.300 0.049 0.000 1.205 24 P CA 0.527 63.644 63.100 0.028 0.000 0.765 24 P CB 0.337 31.991 31.700 -0.078 0.000 0.828 25 L N 3.008 124.279 121.223 0.081 0.000 2.471 25 L HA 0.239 4.580 4.340 0.001 0.000 0.263 25 L C 0.406 177.322 176.870 0.077 0.000 0.985 25 L CA -0.403 54.481 54.840 0.073 0.000 0.868 25 L CB 1.550 43.652 42.059 0.072 0.000 1.203 25 L HN 0.192 nan 8.230 nan 0.000 0.429 26 T N 2.960 117.547 114.554 0.054 0.000 2.829 26 T HA 0.117 4.467 4.350 0.001 0.000 0.293 26 T C 1.046 175.815 174.700 0.113 0.000 0.970 26 T CA 0.008 62.148 62.100 0.067 0.000 1.168 26 T CB 0.463 69.361 68.868 0.049 0.000 0.911 26 T HN 0.423 nan 8.240 nan 0.000 0.535 27 R N 2.184 122.719 120.500 0.058 0.000 2.487 27 R HA 0.254 4.595 4.340 0.001 0.000 0.272 27 R C 0.715 177.001 176.300 -0.023 0.000 0.928 27 R CA -0.209 55.868 56.100 -0.038 0.000 1.077 27 R CB -0.245 29.935 30.300 -0.199 0.000 1.265 27 R HN 0.710 nan 8.270 nan 0.000 0.537 28 L N 1.465 122.715 121.223 0.045 0.000 3.597 28 L HA -0.278 4.063 4.340 0.001 0.000 0.440 28 L C 0.388 177.240 176.870 -0.029 0.000 1.277 28 L CA 0.592 55.473 54.840 0.068 0.000 0.852 28 L CB -1.127 41.027 42.059 0.159 0.000 1.708 28 L HN 0.151 nan 8.230 nan 0.000 0.885 29 R N -1.304 119.123 120.500 -0.122 0.000 2.543 29 R HA 0.248 4.588 4.340 0.001 0.000 0.323 29 R C 0.712 176.939 176.300 -0.122 0.000 1.002 29 R CA -0.151 55.833 56.100 -0.193 0.000 1.106 29 R CB 0.850 30.875 30.300 -0.458 0.000 1.280 29 R HN 0.240 nan 8.270 nan 0.000 0.549 30 S N 0.840 116.505 115.700 -0.058 0.000 2.600 30 S HA 0.244 4.715 4.470 0.001 0.000 0.265 30 S C 0.522 175.101 174.600 -0.036 0.000 1.325 30 S CA -0.360 57.810 58.200 -0.049 0.000 1.002 30 S CB 1.007 64.200 63.200 -0.012 0.000 0.921 30 S HN 0.130 nan 8.310 nan 0.000 0.554 31 I N 1.877 122.422 120.570 -0.043 0.000 2.496 31 I HA 0.121 4.291 4.170 0.001 0.000 0.285 31 I C 0.549 176.662 176.117 -0.008 0.000 1.080 31 I CA 0.425 61.708 61.300 -0.028 0.000 1.404 31 I CB 0.442 38.420 38.000 -0.036 0.000 1.403 31 I HN 0.583 nan 8.210 nan 0.000 0.539 32 E N 6.905 127.105 120.200 0.001 0.000 2.212 32 E HA 0.438 4.789 4.350 0.001 0.000 0.268 32 E C -2.159 174.445 176.600 0.006 0.000 0.902 32 E CA -1.765 54.642 56.400 0.012 0.000 0.779 32 E CB 1.299 31.012 29.700 0.021 0.000 1.172 32 E HN 0.436 nan 8.360 nan 0.000 0.409 33 P HA 0.233 nan 4.420 nan 0.000 0.274 33 P C 0.411 177.720 177.300 0.014 0.000 1.231 33 P CA -0.110 63.000 63.100 0.017 0.000 0.790 33 P CB 1.020 32.730 31.700 0.016 0.000 0.951 34 G N 0.603 109.418 108.800 0.026 0.000 2.231 34 G HA2 -0.187 3.774 3.960 0.001 0.000 0.206 34 G HA3 -0.187 3.774 3.960 0.001 0.000 0.206 34 G C -0.057 174.852 174.900 0.014 0.000 0.996 34 G CA 0.066 45.178 45.100 0.020 0.000 0.645 34 G HN 0.586 nan 8.290 nan 0.000 0.498 35 D N -0.013 120.404 120.400 0.028 0.000 2.689 35 D HA -0.169 4.472 4.640 0.001 0.000 0.237 35 D C 0.515 176.810 176.300 -0.008 0.000 1.148 35 D CA 1.576 55.602 54.000 0.043 0.000 0.656 35 D CB -1.587 39.277 40.800 0.107 0.000 1.050 35 D HN 0.762 nan 8.370 nan 0.000 0.426 36 I N -0.117 120.424 120.570 -0.049 0.000 2.336 36 I HA 0.257 4.428 4.170 0.001 0.000 0.292 36 I C -1.976 174.033 176.117 -0.181 0.000 0.991 36 I CA -2.074 59.158 61.300 -0.113 0.000 1.227 36 I CB 1.271 39.219 38.000 -0.088 0.000 1.366 36 I HN -0.333 nan 8.210 nan 0.000 0.466 37 P HA 0.046 nan 4.420 nan 0.000 0.268 37 P C -0.342 176.806 177.300 -0.253 0.000 1.208 37 P CA -0.011 62.823 63.100 -0.444 0.000 0.777 37 P CB 0.495 31.599 31.700 -0.993 0.000 0.875 38 T N -1.532 112.924 114.554 -0.164 0.000 2.942 38 T HA 0.472 4.823 4.350 0.001 0.000 0.289 38 T C -2.174 172.508 174.700 -0.031 0.000 1.044 38 T CA -2.293 59.758 62.100 -0.080 0.000 1.023 38 T CB 1.185 70.024 68.868 -0.049 0.000 1.123 38 T HN 0.042 nan 8.240 nan 0.000 0.512 39 P HA -0.048 nan 4.420 nan 0.000 0.216 39 P C 1.629 178.964 177.300 0.059 0.000 1.150 39 P CA 0.355 63.467 63.100 0.020 0.000 0.837 39 P CB -0.014 31.694 31.700 0.012 0.000 0.786 40 L N -1.475 119.791 121.223 0.072 0.000 2.046 40 L HA -0.132 4.208 4.340 0.001 0.000 0.208 40 L C 2.308 179.316 176.870 0.231 0.000 1.077 40 L CA 1.917 56.841 54.840 0.140 0.000 0.747 40 L CB -1.002 41.143 42.059 0.142 0.000 0.896 40 L HN -0.110 nan 8.230 nan 0.000 0.432 41 M N -1.111 118.621 119.600 0.220 0.000 2.117 41 M HA -0.132 4.349 4.480 0.001 0.000 0.262 41 M C 2.176 178.654 176.300 0.296 0.000 1.065 41 M CA 1.750 57.214 55.300 0.275 0.000 1.114 41 M CB -1.085 31.625 32.600 0.184 0.000 1.361 41 M HN 0.443 nan 8.290 nan 0.000 0.408 42 G N -0.076 108.848 108.800 0.207 0.000 2.440 42 G HA2 -0.269 3.692 3.960 0.001 0.000 0.218 42 G HA3 -0.269 3.692 3.960 0.001 0.000 0.218 42 G C 1.358 176.352 174.900 0.158 0.000 1.154 42 G CA 1.231 46.448 45.100 0.195 0.000 0.767 42 G HN 0.569 nan 8.290 nan 0.000 0.552 43 E N -0.641 119.624 120.200 0.109 0.000 2.051 43 E HA -0.202 4.148 4.350 0.001 0.000 0.192 43 E C 2.090 178.709 176.600 0.031 0.000 0.991 43 E CA 0.974 57.411 56.400 0.062 0.000 0.799 43 E CB -0.351 29.382 29.700 0.054 0.000 0.748 43 E HN 0.538 nan 8.360 nan 0.000 0.449 44 Y N 0.061 120.239 120.300 -0.203 0.000 2.128 44 Y HA -0.308 4.243 4.550 0.002 0.000 0.284 44 Y C 1.738 177.459 175.900 -0.298 0.000 1.154 44 Y CA 2.071 59.907 58.100 -0.440 0.000 1.149 44 Y CB -0.516 37.352 38.460 -0.987 0.000 0.976 44 Y HN 0.114 nan 8.280 nan 0.000 0.505 45 Y N 0.200 120.448 120.300 -0.086 0.000 2.200 45 Y HA -0.133 4.417 4.550 0.001 0.000 0.290 45 Y C 2.844 178.647 175.900 -0.161 0.000 1.137 45 Y CA 1.768 59.756 58.100 -0.187 0.000 1.163 45 Y CB -0.727 37.742 38.460 0.014 0.000 0.988 45 Y HN 0.069 nan 8.280 nan 0.000 0.518 46 R N 0.436 120.974 120.500 0.063 0.000 2.096 46 R HA -0.208 4.133 4.340 0.001 0.000 0.235 46 R C 2.013 178.299 176.300 -0.023 0.000 1.127 46 R CA 1.658 57.767 56.100 0.015 0.000 0.968 46 R CB -0.183 30.131 30.300 0.024 0.000 0.861 46 R HN 0.437 nan 8.270 nan 0.000 0.440 47 Q N -0.465 119.300 119.800 -0.058 0.000 2.226 47 Q HA -0.139 4.201 4.340 0.001 0.000 0.204 47 Q C 1.268 177.233 176.000 -0.058 0.000 0.975 47 Q CA 1.295 57.062 55.803 -0.059 0.000 0.866 47 Q CB 0.152 28.840 28.738 -0.082 0.000 0.915 47 Q HN 0.284 nan 8.270 nan 0.000 0.440 48 R N -0.803 119.632 120.500 -0.108 0.000 2.468 48 R HA 0.241 4.582 4.340 0.001 0.000 0.280 48 R C 1.298 177.566 176.300 -0.052 0.000 0.963 48 R CA 0.167 56.220 56.100 -0.078 0.000 1.083 48 R CB 0.508 30.649 30.300 -0.265 0.000 1.200 48 R HN 0.061 nan 8.270 nan 0.000 0.541 49 A N 0.849 123.652 122.820 -0.028 0.000 2.209 49 A HA -0.098 4.223 4.320 0.001 0.000 0.212 49 A C 1.941 179.531 177.584 0.009 0.000 1.158 49 A CA 1.235 53.259 52.037 -0.020 0.000 0.742 49 A CB -0.199 18.794 19.000 -0.011 0.000 0.790 49 A HN 0.335 nan 8.150 nan 0.000 0.472 50 S N -0.136 115.590 115.700 0.043 0.000 2.561 50 S HA 0.385 4.855 4.470 0.001 0.000 0.225 50 S C 1.055 175.724 174.600 0.114 0.000 0.977 50 S CA 0.298 58.542 58.200 0.073 0.000 0.926 50 S CB -0.726 62.521 63.200 0.078 0.000 0.769 50 S HN 0.901 nan 8.310 nan 0.000 0.533 51 A N 1.306 124.194 122.820 0.113 0.000 2.561 51 A HA 0.504 4.825 4.320 0.001 0.000 0.234 51 A C 1.654 179.278 177.584 0.067 0.000 1.055 51 A CA 0.183 52.303 52.037 0.138 0.000 0.756 51 A CB -0.535 18.404 19.000 -0.102 0.000 0.986 51 A HN 0.450 nan 8.150 nan 0.000 0.505 52 G N 0.427 109.327 108.800 0.166 0.000 2.469 52 G HA2 0.113 4.074 3.960 0.001 0.000 0.220 52 G HA3 0.113 4.074 3.960 0.001 0.000 0.220 52 G C 0.343 175.067 174.900 -0.293 0.000 1.136 52 G CA 1.689 46.855 45.100 0.110 0.000 0.759 52 G HN 1.150 nan 8.290 nan 0.000 0.562 53 L N -0.639 120.212 121.223 -0.620 0.000 2.526 53 L HA 0.546 4.887 4.340 0.001 0.000 0.263 53 L C -1.178 175.398 176.870 -0.490 0.000 0.943 53 L CA -0.853 53.538 54.840 -0.749 0.000 0.859 53 L CB 1.920 43.112 42.059 -1.444 0.000 1.313 53 L HN 0.018 nan 8.230 nan 0.000 0.406 54 I N 5.556 125.940 120.570 -0.311 0.000 2.342 54 I HA 0.376 4.547 4.170 0.001 0.000 0.291 54 I C -0.398 175.610 176.117 -0.182 0.000 1.010 54 I CA -0.255 60.907 61.300 -0.232 0.000 1.308 54 I CB 1.123 39.031 38.000 -0.154 0.000 1.400 54 I HN 0.480 nan 8.210 nan 0.000 0.488 55 I N 5.901 126.396 120.570 -0.125 0.000 2.339 55 I HA 0.171 4.341 4.170 0.001 0.000 0.290 55 I C 0.692 176.798 176.117 -0.018 0.000 0.994 55 I CA -0.362 60.897 61.300 -0.069 0.000 1.191 55 I CB 1.488 39.484 38.000 -0.007 0.000 1.343 55 I HN 0.628 nan 8.210 nan 0.000 0.458 56 S N 5.225 120.878 115.700 -0.079 0.000 2.580 56 S HA 0.083 4.554 4.470 0.001 0.000 0.266 56 S C 0.280 174.921 174.600 0.068 0.000 1.354 56 S CA -0.750 57.457 58.200 0.012 0.000 1.008 56 S CB 0.529 63.615 63.200 -0.189 0.000 0.898 56 S HN 0.702 nan 8.310 nan 0.000 0.555 57 E N 1.006 121.358 120.200 0.254 0.000 2.508 57 E HA 0.195 4.546 4.350 0.001 0.000 0.266 57 E C 0.297 176.804 176.600 -0.156 0.000 1.010 57 E CA -0.159 56.293 56.400 0.086 0.000 0.955 57 E CB 0.118 29.942 29.700 0.206 0.000 0.946 57 E HN 0.851 nan 8.360 nan 0.000 0.454 58 A N 3.374 125.912 122.820 -0.471 0.000 2.540 58 A HA 0.174 4.495 4.320 0.001 0.000 0.239 58 A C -0.111 177.001 177.584 -0.786 0.000 1.061 58 A CA 0.291 51.735 52.037 -0.988 0.000 0.758 58 A CB 0.188 17.872 19.000 -2.193 0.000 0.991 58 A HN 0.612 nan 8.150 nan 0.000 0.502 59 T N 3.019 117.250 114.554 -0.539 0.000 2.881 59 T HA 0.409 4.759 4.350 0.001 0.000 0.290 59 T C -0.487 174.344 174.700 0.218 0.000 1.000 59 T CA -0.365 61.722 62.100 -0.022 0.000 0.978 59 T CB 1.325 70.168 68.868 -0.042 0.000 0.997 59 T HN 0.705 nan 8.240 nan 0.000 0.443 60 Q N 1.979 122.040 119.800 0.436 0.000 2.330 60 Q HA 0.197 4.538 4.340 0.001 0.000 0.279 60 Q C 1.593 177.733 176.000 0.233 0.000 1.024 60 Q CA -0.003 56.026 55.803 0.378 0.000 0.900 60 Q CB 0.340 29.265 28.738 0.311 0.000 1.221 60 Q HN 0.775 nan 8.270 nan 0.000 0.396 61 I N -1.438 119.158 120.570 0.043 0.000 2.928 61 I HA 0.073 4.243 4.170 0.001 0.000 0.266 61 I C 0.215 176.294 176.117 -0.063 0.000 1.234 61 I CA 0.195 61.452 61.300 -0.071 0.000 1.483 61 I CB 0.113 37.882 38.000 -0.384 0.000 1.097 61 I HN 0.449 nan 8.210 nan 0.000 0.455 62 S N -0.738 114.844 115.700 -0.197 0.000 2.611 62 S HA 0.681 5.151 4.470 0.001 0.000 0.268 62 S C 0.410 174.557 174.600 -0.755 0.000 1.156 62 S CA -0.352 57.522 58.200 -0.543 0.000 0.817 62 S CB 1.402 64.417 63.200 -0.308 0.000 1.122 62 S HN 0.118 nan 8.310 nan 0.000 0.466 63 A N 0.684 122.995 122.820 -0.850 0.000 1.933 63 A HA -0.093 4.228 4.320 0.001 0.000 0.218 63 A C 2.077 179.508 177.584 -0.254 0.000 1.175 63 A CA 1.905 53.703 52.037 -0.399 0.000 0.628 63 A CB -1.131 17.737 19.000 -0.219 0.000 0.814 63 A HN 0.890 nan 8.150 nan 0.000 0.444 64 Q N -0.507 119.139 119.800 -0.256 0.000 2.170 64 Q HA -0.134 4.206 4.340 0.001 0.000 0.203 64 Q C 2.044 177.775 176.000 -0.447 0.000 0.976 64 Q CA 1.305 56.981 55.803 -0.212 0.000 0.858 64 Q CB -0.318 28.374 28.738 -0.076 0.000 0.907 64 Q HN 0.625 nan 8.270 nan 0.000 0.433 65 A N 1.070 123.474 122.820 -0.694 0.000 2.125 65 A HA -0.114 4.207 4.320 0.001 0.000 0.219 65 A C 1.102 178.339 177.584 -0.580 0.000 1.156 65 A CA 0.511 51.922 52.037 -1.043 0.000 0.671 65 A CB -0.317 18.297 19.000 -0.642 0.000 0.794 65 A HN 0.264 nan 8.150 nan 0.000 0.459 66 K N -0.097 120.113 120.400 -0.316 0.000 2.412 66 K HA 0.255 4.576 4.320 0.001 0.000 0.281 66 K C 0.887 177.355 176.600 -0.220 0.000 1.027 66 K CA 0.558 56.742 56.287 -0.171 0.000 0.989 66 K CB 0.366 32.842 32.500 -0.040 0.000 0.935 66 K HN 0.143 nan 8.250 nan 0.000 0.475 67 G N 3.319 111.969 108.800 -0.249 0.000 2.958 67 G HA2 0.102 4.063 3.960 0.001 0.000 0.225 67 G HA3 0.102 4.063 3.960 0.001 0.000 0.225 67 G C -0.892 173.713 174.900 -0.490 0.000 1.036 67 G CA 0.013 44.893 45.100 -0.367 0.000 0.880 67 G HN 0.537 nan 8.290 nan 0.000 0.557 68 Y N 0.491 120.776 120.300 -0.025 0.000 2.406 68 Y HA 0.659 5.209 4.550 0.000 0.000 0.340 68 Y C 0.286 176.226 175.900 0.066 0.000 0.975 68 Y CA -1.505 56.624 58.100 0.049 0.000 1.056 68 Y CB 1.958 40.498 38.460 0.134 0.000 1.210 68 Y HN 0.116 nan 8.280 nan 0.000 0.448 69 A N 1.579 124.500 122.820 0.169 0.000 2.492 69 A HA 0.473 4.794 4.320 0.001 0.000 0.254 69 A C 1.266 178.939 177.584 0.149 0.000 1.091 69 A CA 0.882 52.993 52.037 0.123 0.000 0.768 69 A CB -0.801 18.238 19.000 0.064 0.000 1.028 69 A HN 1.625 nan 8.150 nan 0.000 0.498 70 G N 0.821 109.696 108.800 0.125 0.000 2.194 70 G HA2 0.168 4.128 3.960 0.001 0.000 0.236 70 G HA3 0.168 4.128 3.960 0.001 0.000 0.236 70 G C 0.528 175.508 174.900 0.132 0.000 0.987 70 G CA 0.225 45.385 45.100 0.100 0.000 0.635 70 G HN 2.126 nan 8.290 nan 0.000 0.520 71 A N 1.731 124.682 122.820 0.218 0.000 2.363 71 A HA 0.732 5.052 4.320 0.001 0.000 0.270 71 A C -1.380 176.354 177.584 0.249 0.000 1.121 71 A CA -0.734 51.467 52.037 0.274 0.000 0.800 71 A CB 0.727 20.012 19.000 0.475 0.000 1.052 71 A HN 0.250 nan 8.150 nan 0.000 0.493 72 P HA 0.411 nan 4.420 nan 0.000 0.279 72 P C 0.142 177.637 177.300 0.324 0.000 1.252 72 P CA 0.006 63.246 63.100 0.234 0.000 0.811 72 P CB 1.428 33.279 31.700 0.251 0.000 1.035 73 G N 0.199 109.155 108.800 0.260 0.000 2.597 73 G HA2 0.532 4.492 3.960 0.001 0.000 0.317 73 G HA3 0.532 4.492 3.960 0.001 0.000 0.317 73 G C -1.231 173.840 174.900 0.286 0.000 1.230 73 G CA -0.552 44.691 45.100 0.238 0.000 0.996 73 G HN 0.484 nan 8.290 nan 0.000 0.490 74 L N -0.041 121.293 121.223 0.184 0.000 3.025 74 L HA 0.402 4.742 4.340 0.001 0.000 0.307 74 L C 0.598 177.534 176.870 0.109 0.000 1.303 74 L CA -0.495 54.432 54.840 0.145 0.000 0.817 74 L CB -0.391 41.670 42.059 0.003 0.000 1.227 74 L HN 0.814 nan 8.230 nan 0.000 0.571 75 H N -3.185 115.946 119.070 0.103 0.000 3.205 75 H HA 0.515 5.072 4.556 0.001 0.000 0.252 75 H C 0.675 176.038 175.328 0.058 0.000 1.015 75 H CA 0.345 56.427 56.048 0.057 0.000 1.192 75 H CB -0.011 29.768 29.762 0.028 0.000 1.474 75 H HN 0.239 nan 8.280 nan 0.000 0.484 76 S N 0.261 115.879 115.700 -0.138 0.000 2.651 76 S HA 0.335 4.805 4.470 0.001 0.000 0.291 76 S C -1.841 172.760 174.600 0.002 0.000 1.141 76 S CA -1.482 56.705 58.200 -0.022 0.000 1.027 76 S CB 2.440 65.601 63.200 -0.065 0.000 1.043 76 S HN -0.092 nan 8.310 nan 0.000 0.530 77 P HA -0.057 nan 4.420 nan 0.000 0.216 77 P C 0.861 178.171 177.300 0.016 0.000 1.150 77 P CA 1.221 64.335 63.100 0.022 0.000 0.837 77 P CB 0.018 31.730 31.700 0.019 0.000 0.786 78 E N -0.586 119.614 120.200 0.001 0.000 2.106 78 E HA -0.165 4.186 4.350 0.001 0.000 0.192 78 E C 2.163 178.753 176.600 -0.015 0.000 0.984 78 E CA 1.065 57.459 56.400 -0.009 0.000 0.806 78 E CB -0.681 29.008 29.700 -0.018 0.000 0.750 78 E HN 0.367 nan 8.360 nan 0.000 0.458 79 Q N 0.073 119.863 119.800 -0.017 0.000 2.046 79 Q HA -0.093 4.247 4.340 0.001 0.000 0.200 79 Q C 2.210 178.308 176.000 0.163 0.000 0.975 79 Q CA 1.154 56.968 55.803 0.019 0.000 0.836 79 Q CB -0.143 28.604 28.738 0.014 0.000 0.896 79 Q HN 0.309 nan 8.270 nan 0.000 0.428 80 I N 0.620 121.286 120.570 0.159 0.000 2.208 80 I HA -0.313 3.857 4.170 0.001 0.000 0.245 80 I C 2.389 178.592 176.117 0.143 0.000 1.097 80 I CA 1.037 62.453 61.300 0.193 0.000 1.363 80 I CB -0.400 37.665 38.000 0.107 0.000 1.051 80 I HN 0.196 nan 8.210 nan 0.000 0.413 81 A N 0.596 123.458 122.820 0.070 0.000 1.902 81 A HA -0.164 4.156 4.320 0.001 0.000 0.217 81 A C 2.515 180.114 177.584 0.025 0.000 1.181 81 A CA 1.916 53.975 52.037 0.037 0.000 0.623 81 A CB -0.784 18.224 19.000 0.013 0.000 0.818 81 A HN 0.445 nan 8.150 nan 0.000 0.443 82 A N -1.582 121.236 122.820 -0.005 0.000 1.897 82 A HA -0.095 4.226 4.320 0.001 0.000 0.215 82 A C 1.991 179.545 177.584 -0.050 0.000 1.181 82 A CA 1.140 53.131 52.037 -0.078 0.000 0.620 82 A CB -0.877 18.012 19.000 -0.185 0.000 0.821 82 A HN 0.740 nan 8.150 nan 0.000 0.443 83 W N 0.319 121.621 121.300 0.003 0.000 2.374 83 W HA -0.085 4.576 4.660 0.001 0.000 0.288 83 W C 2.239 178.663 176.519 -0.160 0.000 1.218 83 W CA 1.252 58.578 57.345 -0.031 0.000 1.245 83 W CB 0.046 29.558 29.460 0.088 0.000 1.126 83 W HN 0.238 nan 8.180 nan 0.000 0.545 84 K N 0.535 120.999 120.400 0.108 0.000 2.103 84 K HA -0.190 4.131 4.320 0.001 0.000 0.207 84 K C 1.750 178.336 176.600 -0.023 0.000 1.048 84 K CA 1.471 57.756 56.287 -0.003 0.000 0.930 84 K CB -0.230 32.276 32.500 0.010 0.000 0.716 84 K HN 0.164 nan 8.250 nan 0.000 0.444 85 K N 0.548 120.946 120.400 -0.002 0.000 2.097 85 K HA -0.057 4.264 4.320 0.001 0.000 0.205 85 K C 2.072 178.662 176.600 -0.016 0.000 1.050 85 K CA 1.074 57.354 56.287 -0.010 0.000 0.938 85 K CB -0.050 32.444 32.500 -0.009 0.000 0.718 85 K HN 0.117 nan 8.250 nan 0.000 0.442 86 I N 1.280 121.852 120.570 0.003 0.000 2.202 86 I HA -0.258 3.912 4.170 0.001 0.000 0.242 86 I C 2.707 178.757 176.117 -0.111 0.000 1.091 86 I CA 1.623 62.938 61.300 0.025 0.000 1.368 86 I CB -0.794 37.305 38.000 0.165 0.000 1.058 86 I HN 0.338 nan 8.210 nan 0.000 0.410 87 T N -0.539 113.865 114.554 -0.249 0.000 2.821 87 T HA -0.085 4.266 4.350 0.001 0.000 0.267 87 T C 2.033 176.488 174.700 -0.407 0.000 1.046 87 T CA 0.975 62.781 62.100 -0.491 0.000 1.139 87 T CB -0.472 68.019 68.868 -0.628 0.000 0.871 87 T HN 0.321 nan 8.240 nan 0.000 0.454 88 A N 1.899 124.624 122.820 -0.158 0.000 1.908 88 A HA 0.187 4.507 4.320 0.001 0.000 0.218 88 A C 2.746 180.304 177.584 -0.044 0.000 1.181 88 A CA 1.849 53.862 52.037 -0.041 0.000 0.627 88 A CB -1.663 17.333 19.000 -0.007 0.000 0.818 88 A HN 0.640 nan 8.150 nan 0.000 0.445 89 G N -0.748 108.017 108.800 -0.057 0.000 2.402 89 G HA2 -0.081 3.880 3.960 0.001 0.000 0.216 89 G HA3 -0.081 3.880 3.960 0.001 0.000 0.216 89 G C 1.509 176.383 174.900 -0.043 0.000 1.162 89 G CA 1.176 46.261 45.100 -0.026 0.000 0.777 89 G HN 0.320 nan 8.290 nan 0.000 0.539 90 V N 0.525 120.366 119.914 -0.121 0.000 2.295 90 V HA -0.216 3.904 4.120 0.001 0.000 0.246 90 V C 2.413 178.466 176.094 -0.069 0.000 1.049 90 V CA 2.225 64.445 62.300 -0.134 0.000 1.024 90 V CB -0.854 30.824 31.823 -0.242 0.000 0.648 90 V HN 0.556 nan 8.190 nan 0.000 0.447 91 H N -0.168 118.882 119.070 -0.033 0.000 2.423 91 H HA -0.037 4.520 4.556 0.001 0.000 0.297 91 H C 2.267 177.585 175.328 -0.017 0.000 1.075 91 H CA 0.930 56.961 56.048 -0.028 0.000 1.342 91 H CB -0.093 29.649 29.762 -0.034 0.000 1.395 91 H HN 0.471 nan 8.280 nan 0.000 0.530 92 A N 0.975 123.851 122.820 0.094 0.000 2.019 92 A HA -0.145 4.176 4.320 0.001 0.000 0.219 92 A C 1.741 179.348 177.584 0.039 0.000 1.164 92 A CA 1.349 53.418 52.037 0.053 0.000 0.644 92 A CB 0.043 19.062 19.000 0.031 0.000 0.805 92 A HN 0.320 nan 8.150 nan 0.000 0.449 93 E N -0.725 119.498 120.200 0.037 0.000 2.463 93 E HA 0.061 4.412 4.350 0.001 0.000 0.193 93 E C -0.288 176.333 176.600 0.035 0.000 1.041 93 E CA 0.428 56.845 56.400 0.028 0.000 0.879 93 E CB -0.011 29.699 29.700 0.016 0.000 0.997 93 E HN 0.521 nan 8.360 nan 0.000 0.478 94 D N 0.270 120.701 120.400 0.053 0.000 2.870 94 D HA -0.128 4.513 4.640 0.001 0.000 0.228 94 D C 0.330 176.663 176.300 0.055 0.000 1.147 94 D CA 1.075 55.106 54.000 0.051 0.000 0.757 94 D CB -1.060 39.758 40.800 0.030 0.000 1.091 94 D HN 0.336 nan 8.370 nan 0.000 0.429 95 G N -0.316 108.526 108.800 0.071 0.000 2.535 95 G HA2 0.750 4.711 3.960 0.001 0.000 0.303 95 G HA3 0.750 4.711 3.960 0.001 0.000 0.303 95 G C -0.333 174.627 174.900 0.100 0.000 1.237 95 G CA -0.774 44.353 45.100 0.044 0.000 0.986 95 G HN 0.210 nan 8.290 nan 0.000 0.494 96 R N -1.150 119.360 120.500 0.017 0.000 2.628 96 R HA 0.605 4.946 4.340 0.001 0.000 0.288 96 R C -1.172 175.096 176.300 -0.053 0.000 0.980 96 R CA -0.561 55.556 56.100 0.028 0.000 0.891 96 R CB 2.560 32.832 30.300 -0.046 0.000 1.188 96 R HN 0.458 nan 8.270 nan 0.000 0.450 97 I N 1.280 121.847 120.570 -0.005 0.000 2.569 97 I HA 0.650 4.820 4.170 0.001 0.000 0.290 97 I C -1.212 174.970 176.117 0.108 0.000 1.088 97 I CA -0.577 60.709 61.300 -0.024 0.000 1.047 97 I CB 1.744 39.685 38.000 -0.100 0.000 1.237 97 I HN 0.812 nan 8.210 nan 0.000 0.421 98 A N 6.467 129.294 122.820 0.011 0.000 2.312 98 A HA 0.646 4.966 4.320 0.001 0.000 0.326 98 A C -1.093 176.342 177.584 -0.248 0.000 1.172 98 A CA -0.519 51.496 52.037 -0.036 0.000 0.821 98 A CB 1.653 20.642 19.000 -0.018 0.000 1.166 98 A HN 0.589 nan 8.150 nan 0.000 0.493 99 V N 2.819 122.353 119.914 -0.634 0.000 2.407 99 V HA 0.289 4.409 4.120 0.001 0.000 0.278 99 V C 0.219 176.010 176.094 -0.504 0.000 1.037 99 V CA -0.381 61.333 62.300 -0.978 0.000 0.900 99 V CB 1.178 31.844 31.823 -1.928 0.000 0.983 99 V HN 0.968 nan 8.190 nan 0.000 0.459 100 Q N 5.830 125.405 119.800 -0.375 0.000 2.288 100 Q HA 0.452 4.793 4.340 0.001 0.000 0.258 100 Q C -1.374 174.483 176.000 -0.239 0.000 0.957 100 Q CA -0.358 55.293 55.803 -0.253 0.000 0.919 100 Q CB 1.015 29.602 28.738 -0.251 0.000 1.185 100 Q HN 0.777 nan 8.270 nan 0.000 0.408 101 L N 5.816 126.998 121.223 -0.069 0.000 2.313 101 L HA 0.566 4.907 4.340 0.001 0.000 0.283 101 L C -0.822 176.248 176.870 0.333 0.000 1.013 101 L CA -0.928 53.952 54.840 0.066 0.000 0.816 101 L CB 0.696 42.827 42.059 0.120 0.000 1.236 101 L HN 0.670 nan 8.230 nan 0.000 0.419 102 W N 2.526 123.898 121.300 0.120 0.000 2.902 102 W HA 0.521 5.182 4.660 0.001 0.000 0.346 102 W C -1.275 175.249 176.519 0.008 0.000 1.139 102 W CA -1.208 56.224 57.345 0.146 0.000 1.139 102 W CB 0.387 29.855 29.460 0.013 0.000 1.439 102 W HN 0.374 nan 8.180 nan 0.000 0.558 103 H N 1.773 120.960 119.070 0.195 0.000 2.589 103 H HA 0.238 4.794 4.556 0.001 0.000 0.335 103 H C 0.992 176.249 175.328 -0.118 0.000 1.019 103 H CA 0.407 56.415 56.048 -0.068 0.000 1.213 103 H CB 2.059 31.805 29.762 -0.026 0.000 1.472 103 H HN 0.619 nan 8.280 nan 0.000 0.508 104 T N 1.273 115.686 114.554 -0.235 0.000 3.035 104 T HA 0.126 4.476 4.350 0.001 0.000 0.268 104 T C 1.417 176.241 174.700 0.206 0.000 1.109 104 T CA 0.638 62.646 62.100 -0.153 0.000 1.119 104 T CB -0.050 68.522 68.868 -0.494 0.000 0.900 104 T HN 0.822 nan 8.240 nan 0.000 0.503 105 G N 3.280 112.307 108.800 0.379 0.000 2.634 105 G HA2 -0.466 3.495 3.960 0.001 0.000 0.309 105 G HA3 -0.466 3.495 3.960 0.001 0.000 0.309 105 G C 0.898 175.853 174.900 0.092 0.000 1.265 105 G CA 0.905 46.129 45.100 0.206 0.000 0.998 105 G HN 0.853 nan 8.290 nan 0.000 0.551 106 R N 0.463 120.988 120.500 0.043 0.000 2.316 106 R HA 0.222 4.563 4.340 0.001 0.000 0.202 106 R C 1.304 177.591 176.300 -0.021 0.000 1.029 106 R CA 1.050 57.145 56.100 -0.007 0.000 1.018 106 R CB -0.245 30.036 30.300 -0.031 0.000 0.888 106 R HN 0.481 nan 8.270 nan 0.000 0.471 107 I N 1.889 122.462 120.570 0.005 0.000 2.227 107 I HA 0.128 4.298 4.170 0.001 0.000 0.297 107 I C -0.116 175.917 176.117 -0.140 0.000 1.173 107 I CA -0.166 61.121 61.300 -0.022 0.000 1.356 107 I CB 0.322 38.371 38.000 0.082 0.000 1.485 107 I HN 0.169 nan 8.210 nan 0.000 0.604 108 S N 3.677 119.291 115.700 -0.143 0.000 2.655 108 S HA 0.495 4.965 4.470 0.001 0.000 0.266 108 S C -1.671 172.894 174.600 -0.058 0.000 1.149 108 S CA -0.605 57.496 58.200 -0.164 0.000 0.818 108 S CB 1.561 64.682 63.200 -0.130 0.000 1.130 108 S HN 0.637 nan 8.310 nan 0.000 0.476 109 H N -0.114 118.872 119.070 -0.140 0.000 2.894 109 H HA 0.498 5.054 4.556 0.001 0.000 0.367 109 H C 1.071 176.356 175.328 -0.072 0.000 1.144 109 H CA 0.162 56.153 56.048 -0.096 0.000 1.180 109 H CB 1.916 31.622 29.762 -0.095 0.000 1.758 109 H HN 0.557 nan 8.280 nan 0.000 0.541 110 S N 1.716 117.174 115.700 -0.404 0.000 2.400 110 S HA -0.233 4.238 4.470 0.001 0.000 0.232 110 S C 1.955 176.538 174.600 -0.028 0.000 1.025 110 S CA 1.409 59.491 58.200 -0.196 0.000 0.993 110 S CB -0.581 62.477 63.200 -0.236 0.000 0.808 110 S HN 0.631 nan 8.310 nan 0.000 0.478 111 S N 2.032 117.830 115.700 0.162 0.000 2.507 111 S HA 0.008 4.479 4.470 0.001 0.000 0.235 111 S C 1.415 176.073 174.600 0.097 0.000 0.988 111 S CA 0.625 58.929 58.200 0.174 0.000 0.944 111 S CB -0.837 62.518 63.200 0.259 0.000 0.762 111 S HN 0.825 nan 8.310 nan 0.000 0.526 112 I N -2.222 118.398 120.570 0.083 0.000 4.081 112 I HA 0.436 4.606 4.170 0.001 0.000 0.333 112 I C 0.084 176.202 176.117 0.001 0.000 1.413 112 I CA -0.747 60.573 61.300 0.034 0.000 1.110 112 I CB -0.229 37.786 38.000 0.026 0.000 1.082 112 I HN -0.029 nan 8.210 nan 0.000 0.402 113 Q N 2.359 122.154 119.800 -0.009 0.000 2.260 113 Q HA 0.460 4.801 4.340 0.001 0.000 0.238 113 Q C -2.330 173.656 176.000 -0.023 0.000 0.948 113 Q CA -1.784 54.000 55.803 -0.032 0.000 0.895 113 Q CB 0.608 29.322 28.738 -0.041 0.000 1.218 113 Q HN 0.085 nan 8.270 nan 0.000 0.470 114 P HA 0.004 nan 4.420 nan 0.000 0.264 114 P C 0.469 177.758 177.300 -0.017 0.000 1.193 114 P CA 0.924 64.011 63.100 -0.022 0.000 0.763 114 P CB 0.259 31.941 31.700 -0.031 0.000 0.810 115 G N 3.019 111.812 108.800 -0.010 0.000 2.189 115 G HA2 -0.196 3.764 3.960 0.001 0.000 0.267 115 G HA3 -0.196 3.764 3.960 0.001 0.000 0.267 115 G C 0.895 175.788 174.900 -0.012 0.000 0.975 115 G CA 0.518 45.612 45.100 -0.010 0.000 0.644 115 G HN 1.068 nan 8.290 nan 0.000 0.537 116 G N -1.566 107.226 108.800 -0.012 0.000 2.179 116 G HA2 -0.207 3.754 3.960 0.001 0.000 0.257 116 G HA3 -0.207 3.754 3.960 0.001 0.000 0.257 116 G C 0.347 175.226 174.900 -0.035 0.000 1.010 116 G CA 1.330 46.420 45.100 -0.016 0.000 0.736 116 G HN 1.037 nan 8.290 nan 0.000 0.513 117 Q N -0.429 119.349 119.800 -0.036 0.000 2.199 117 Q HA 0.717 5.058 4.340 0.001 0.000 0.232 117 Q C 0.788 176.752 176.000 -0.060 0.000 0.969 117 Q CA 0.015 55.792 55.803 -0.044 0.000 0.925 117 Q CB 0.956 29.675 28.738 -0.031 0.000 1.198 117 Q HN 0.852 nan 8.270 nan 0.000 0.494 118 A N 2.639 125.422 122.820 -0.062 0.000 2.531 118 A HA 0.302 4.623 4.320 0.001 0.000 0.236 118 A C -1.885 175.668 177.584 -0.051 0.000 1.062 118 A CA -0.645 51.349 52.037 -0.072 0.000 0.760 118 A CB -0.728 18.235 19.000 -0.062 0.000 0.995 118 A HN 0.406 nan 8.150 nan 0.000 0.501 119 P HA 0.342 nan 4.420 nan 0.000 0.274 119 P C -0.233 177.066 177.300 -0.002 0.000 1.256 119 P CA -0.109 62.979 63.100 -0.019 0.000 0.795 119 P CB 0.696 32.379 31.700 -0.030 0.000 1.038 120 V N -2.919 117.017 119.914 0.037 0.000 2.850 120 V HA 0.880 5.001 4.120 0.001 0.000 0.315 120 V C -0.107 175.993 176.094 0.011 0.000 1.064 120 V CA -0.497 61.815 62.300 0.020 0.000 0.979 120 V CB 1.185 33.024 31.823 0.028 0.000 1.039 120 V HN 0.790 nan 8.190 nan 0.000 0.452 121 S N 1.117 116.807 115.700 -0.016 0.000 2.727 121 S HA 0.742 5.213 4.470 0.001 0.000 0.278 121 S C 0.958 175.467 174.600 -0.151 0.000 1.186 121 S CA 0.170 58.340 58.200 -0.049 0.000 0.836 121 S CB 1.167 64.319 63.200 -0.080 0.000 1.186 121 S HN 1.749 nan 8.310 nan 0.000 0.499 122 A N 0.921 123.458 122.820 -0.471 0.000 1.902 122 A HA 0.309 4.630 4.320 0.001 0.000 0.217 122 A C 0.905 178.257 177.584 -0.387 0.000 1.181 122 A CA 1.572 53.074 52.037 -0.892 0.000 0.623 122 A CB -0.651 17.521 19.000 -1.380 0.000 0.818 122 A HN 0.712 nan 8.150 nan 0.000 0.443 123 S N -3.218 112.324 115.700 -0.264 0.000 2.661 123 S HA 0.631 5.101 4.470 0.001 0.000 0.285 123 S C -0.385 174.148 174.600 -0.111 0.000 1.138 123 S CA -0.086 58.020 58.200 -0.156 0.000 0.855 123 S CB 1.865 64.978 63.200 -0.144 0.000 1.136 123 S HN 0.782 nan 8.310 nan 0.000 0.484 124 A N 1.809 124.581 122.820 -0.081 0.000 3.094 124 A HA 0.619 4.940 4.320 0.001 0.000 0.288 124 A C -0.731 176.817 177.584 -0.060 0.000 1.519 124 A CA -0.175 51.825 52.037 -0.063 0.000 1.227 124 A CB -0.946 18.024 19.000 -0.050 0.000 1.175 124 A HN 0.585 nan 8.150 nan 0.000 0.568 125 L N 1.077 122.260 121.223 -0.067 0.000 2.406 125 L HA 0.322 4.662 4.340 0.001 0.000 0.272 125 L C 0.030 176.866 176.870 -0.056 0.000 0.980 125 L CA -0.694 54.109 54.840 -0.060 0.000 0.831 125 L CB 1.916 43.934 42.059 -0.069 0.000 1.253 125 L HN 0.599 nan 8.230 nan 0.000 0.406 126 N N 1.237 119.909 118.700 -0.047 0.000 2.454 126 N HA 0.118 4.859 4.740 0.001 0.000 0.254 126 N C 1.064 176.549 175.510 -0.041 0.000 1.228 126 N CA 0.550 53.575 53.050 -0.043 0.000 0.900 126 N CB 1.491 39.957 38.487 -0.035 0.000 1.089 126 N HN 0.769 nan 8.380 nan 0.000 0.449 127 A N 3.381 126.177 122.820 -0.040 0.000 2.070 127 A HA -0.133 4.188 4.320 0.001 0.000 0.220 127 A C 0.505 178.073 177.584 -0.027 0.000 1.159 127 A CA 0.749 52.763 52.037 -0.038 0.000 0.656 127 A CB -0.376 18.601 19.000 -0.038 0.000 0.800 127 A HN 0.927 nan 8.150 nan 0.000 0.453 128 N N -0.318 118.369 118.700 -0.021 0.000 2.727 128 N HA -0.122 4.619 4.740 0.001 0.000 0.249 128 N C -0.258 175.249 175.510 -0.004 0.000 1.048 128 N CA 1.532 54.575 53.050 -0.012 0.000 0.714 128 N CB -1.744 36.735 38.487 -0.014 0.000 0.959 128 N HN 0.518 nan 8.380 nan 0.000 0.544 129 T N -0.245 114.308 114.554 -0.001 0.000 2.864 129 T HA 0.624 4.975 4.350 0.001 0.000 0.289 129 T C 0.220 174.929 174.700 0.015 0.000 1.082 129 T CA -0.676 61.431 62.100 0.012 0.000 1.009 129 T CB 1.973 70.848 68.868 0.012 0.000 1.234 129 T HN -0.027 nan 8.240 nan 0.000 0.526 130 R N 0.681 121.198 120.500 0.029 0.000 2.532 130 R HA 0.733 5.074 4.340 0.001 0.000 0.295 130 R C 0.151 176.468 176.300 0.029 0.000 0.968 130 R CA -0.516 55.597 56.100 0.022 0.000 0.916 130 R CB 1.554 31.869 30.300 0.024 0.000 1.124 130 R HN 0.619 nan 8.270 nan 0.000 0.463 131 T N -0.707 113.829 114.554 -0.030 0.000 2.870 131 T HA 0.543 4.893 4.350 0.001 0.000 0.277 131 T C -0.751 173.940 174.700 -0.014 0.000 1.000 131 T CA -0.535 61.501 62.100 -0.107 0.000 0.982 131 T CB 1.056 69.686 68.868 -0.397 0.000 1.249 131 T HN 0.347 nan 8.240 nan 0.000 0.589 132 S N 1.246 116.985 115.700 0.065 0.000 2.552 132 S HA 0.683 5.153 4.470 0.001 0.000 0.314 132 S C -0.737 173.894 174.600 0.052 0.000 1.099 132 S CA -0.795 57.461 58.200 0.094 0.000 1.070 132 S CB -0.145 63.154 63.200 0.164 0.000 0.998 132 S HN 0.538 nan 8.310 nan 0.000 0.474 133 L N 3.634 124.844 121.223 -0.022 0.000 2.421 133 L HA 0.696 5.037 4.340 0.001 0.000 0.267 133 L C 0.343 177.210 176.870 -0.005 0.000 1.036 133 L CA -1.283 53.533 54.840 -0.040 0.000 0.829 133 L CB 1.019 42.996 42.059 -0.137 0.000 1.437 133 L HN 0.484 nan 8.230 nan 0.000 0.488 134 R N -0.018 120.477 120.500 -0.009 0.000 2.637 134 R HA 0.272 4.613 4.340 0.001 0.000 0.291 134 R C -1.177 175.115 176.300 -0.013 0.000 0.963 134 R CA -0.787 55.313 56.100 0.000 0.000 0.901 134 R CB 1.743 32.050 30.300 0.011 0.000 1.160 134 R HN 0.621 nan 8.270 nan 0.000 0.457 135 D N 1.056 121.451 120.400 -0.009 0.000 2.440 135 D HA -0.083 4.558 4.640 0.001 0.000 0.269 135 D C 0.916 177.212 176.300 -0.006 0.000 1.249 135 D CA -0.359 53.635 54.000 -0.011 0.000 1.055 135 D CB 0.464 41.259 40.800 -0.008 0.000 1.104 135 D HN 0.554 nan 8.370 nan 0.000 0.561 136 E N -0.325 119.872 120.200 -0.005 0.000 2.338 136 E HA -0.191 4.159 4.350 0.001 0.000 0.197 136 E C 0.202 176.801 176.600 -0.002 0.000 1.007 136 E CA 0.726 57.124 56.400 -0.003 0.000 0.849 136 E CB -0.498 29.201 29.700 -0.003 0.000 0.774 136 E HN 0.379 nan 8.360 nan 0.000 0.506 137 N N 0.514 119.213 118.700 -0.002 0.000 2.270 137 N HA 0.099 4.840 4.740 0.001 0.000 0.198 137 N C 0.879 176.389 175.510 -0.001 0.000 1.117 137 N CA 0.799 53.848 53.050 -0.001 0.000 0.845 137 N CB 1.114 39.600 38.487 -0.001 0.000 0.980 137 N HN 0.433 nan 8.380 nan 0.000 0.486 138 G N 0.823 109.623 108.800 -0.000 0.000 2.157 138 G HA2 -0.244 3.717 3.960 0.001 0.000 0.248 138 G HA3 -0.244 3.717 3.960 0.001 0.000 0.248 138 G C -0.172 174.730 174.900 0.004 0.000 0.979 138 G CA -0.374 44.727 45.100 0.001 0.000 0.650 138 G HN 0.268 nan 8.290 nan 0.000 0.529 139 N N 0.858 119.561 118.700 0.006 0.000 2.518 139 N HA 0.583 5.323 4.740 0.001 0.000 0.283 139 N C 0.545 176.068 175.510 0.021 0.000 1.119 139 N CA 0.481 53.539 53.050 0.013 0.000 0.983 139 N CB 1.458 39.951 38.487 0.011 0.000 1.139 139 N HN 0.658 nan 8.380 nan 0.000 0.465 140 A N 2.126 124.969 122.820 0.039 0.000 2.488 140 A HA 0.422 4.743 4.320 0.001 0.000 0.249 140 A C 0.441 178.047 177.584 0.037 0.000 1.083 140 A CA -0.142 51.926 52.037 0.053 0.000 0.768 140 A CB -0.453 18.606 19.000 0.098 0.000 1.017 140 A HN 0.729 nan 8.150 nan 0.000 0.496 141 I N -0.547 120.034 120.570 0.019 0.000 2.730 141 I HA 0.625 4.796 4.170 0.001 0.000 0.298 141 I C -0.245 175.868 176.117 -0.007 0.000 1.089 141 I CA -1.057 60.244 61.300 0.003 0.000 1.041 141 I CB 2.055 40.046 38.000 -0.015 0.000 1.235 141 I HN 0.532 nan 8.210 nan 0.000 0.423 142 R N 3.374 123.870 120.500 -0.006 0.000 2.308 142 R HA 0.752 5.093 4.340 0.001 0.000 0.305 142 R C -1.162 175.120 176.300 -0.029 0.000 1.053 142 R CA -0.651 55.443 56.100 -0.010 0.000 0.957 142 R CB 1.882 32.184 30.300 0.003 0.000 1.022 142 R HN 0.552 nan 8.270 nan 0.000 0.461 143 V N 2.354 122.241 119.914 -0.045 0.000 2.971 143 V HA 0.123 4.244 4.120 0.001 0.000 0.309 143 V C -0.611 175.475 176.094 -0.014 0.000 1.130 143 V CA -1.138 61.126 62.300 -0.060 0.000 0.964 143 V CB 2.480 34.194 31.823 -0.182 0.000 1.029 143 V HN 0.667 nan 8.190 nan 0.000 0.427 144 D N 2.481 122.894 120.400 0.022 0.000 2.414 144 D HA 0.263 4.904 4.640 0.001 0.000 0.242 144 D C 0.619 176.973 176.300 0.090 0.000 1.129 144 D CA 0.258 54.284 54.000 0.042 0.000 0.885 144 D CB 1.191 42.014 40.800 0.038 0.000 1.198 144 D HN 0.805 nan 8.370 nan 0.000 0.437 145 T N -0.588 113.991 114.554 0.042 0.000 2.900 145 T HA 0.212 4.563 4.350 0.001 0.000 0.307 145 T C 0.457 175.155 174.700 -0.004 0.000 1.065 145 T CA -0.649 61.467 62.100 0.026 0.000 1.105 145 T CB 0.495 69.351 68.868 -0.021 0.000 0.979 145 T HN 0.126 nan 8.240 nan 0.000 0.544 146 T N 2.848 117.360 114.554 -0.069 0.000 2.897 146 T HA 0.301 4.651 4.350 0.001 0.000 0.294 146 T C 0.563 175.208 174.700 -0.091 0.000 1.004 146 T CA -0.471 61.547 62.100 -0.137 0.000 1.106 146 T CB 0.603 69.314 68.868 -0.262 0.000 0.949 146 T HN 0.752 nan 8.240 nan 0.000 0.520 147 T N 6.674 121.181 114.554 -0.079 0.000 2.902 147 T HA 0.199 4.550 4.350 0.001 0.000 0.301 147 T C -1.861 172.800 174.700 -0.064 0.000 1.012 147 T CA -0.658 61.405 62.100 -0.062 0.000 1.151 147 T CB 0.264 69.099 68.868 -0.054 0.000 0.946 147 T HN 0.434 nan 8.240 nan 0.000 0.542 148 P HA 0.329 nan 4.420 nan 0.000 0.280 148 P C -0.593 176.679 177.300 -0.047 0.000 1.272 148 P CA -0.922 62.148 63.100 -0.050 0.000 0.819 148 P CB 1.083 32.755 31.700 -0.047 0.000 1.122 149 R N 0.629 121.105 120.500 -0.039 0.000 2.368 149 R HA 0.581 4.922 4.340 0.001 0.000 0.302 149 R C -0.334 175.944 176.300 -0.036 0.000 1.002 149 R CA -0.665 55.414 56.100 -0.035 0.000 0.929 149 R CB 0.704 30.988 30.300 -0.027 0.000 1.073 149 R HN 0.553 nan 8.270 nan 0.000 0.464 150 A N 5.280 128.075 122.820 -0.041 0.000 2.488 150 A HA 0.192 4.513 4.320 0.001 0.000 0.249 150 A C 0.109 177.681 177.584 -0.020 0.000 1.083 150 A CA -0.371 51.638 52.037 -0.047 0.000 0.768 150 A CB 0.131 19.100 19.000 -0.052 0.000 1.017 150 A HN 0.782 nan 8.150 nan 0.000 0.496 151 L N 2.714 123.937 121.223 0.001 0.000 2.490 151 L HA 0.051 4.392 4.340 0.001 0.000 0.274 151 L C 0.726 177.605 176.870 0.014 0.000 1.201 151 L CA -0.108 54.745 54.840 0.021 0.000 0.869 151 L CB 0.274 42.377 42.059 0.073 0.000 1.123 151 L HN 0.663 nan 8.230 nan 0.000 0.484 152 E N 2.988 123.190 120.200 0.002 0.000 2.390 152 E HA 0.032 4.383 4.350 0.001 0.000 0.261 152 E C 1.086 177.682 176.600 -0.006 0.000 1.076 152 E CA -0.197 56.205 56.400 0.003 0.000 0.905 152 E CB 0.981 30.682 29.700 0.001 0.000 0.984 152 E HN 0.543 nan 8.360 nan 0.000 0.427 153 L N 1.343 122.571 121.223 0.010 0.000 2.043 153 L HA -0.271 4.070 4.340 0.001 0.000 0.212 153 L C 1.817 178.676 176.870 -0.019 0.000 1.075 153 L CA 1.835 56.679 54.840 0.005 0.000 0.752 153 L CB -0.372 41.724 42.059 0.062 0.000 0.891 153 L HN 0.553 nan 8.230 nan 0.000 0.432 154 D N -0.930 119.468 120.400 -0.003 0.000 2.371 154 D HA -0.181 4.460 4.640 0.001 0.000 0.221 154 D C 1.492 177.781 176.300 -0.019 0.000 0.986 154 D CA 0.824 54.822 54.000 -0.004 0.000 0.899 154 D CB -0.149 40.654 40.800 0.005 0.000 0.902 154 D HN 0.403 nan 8.370 nan 0.000 0.530 155 E N -0.331 119.849 120.200 -0.033 0.000 2.447 155 E HA 0.151 4.501 4.350 0.001 0.000 0.195 155 E C 1.977 178.534 176.600 -0.072 0.000 1.028 155 E CA -0.126 56.252 56.400 -0.038 0.000 0.876 155 E CB 0.248 29.933 29.700 -0.026 0.000 0.885 155 E HN 0.355 nan 8.360 nan 0.000 0.500 156 I N 1.537 122.030 120.570 -0.129 0.000 2.252 156 I HA -0.155 4.016 4.170 0.001 0.000 0.245 156 I C -0.796 175.241 176.117 -0.134 0.000 1.102 156 I CA 0.875 62.040 61.300 -0.226 0.000 1.385 156 I CB -1.062 36.635 38.000 -0.505 0.000 1.064 156 I HN 0.034 nan 8.210 nan 0.000 0.414 157 P HA -0.135 nan 4.420 nan 0.000 0.218 157 P C 1.612 178.910 177.300 -0.003 0.000 1.148 157 P CA 1.575 64.664 63.100 -0.018 0.000 0.822 157 P CB -0.224 31.478 31.700 0.002 0.000 0.784 158 G N -0.096 108.698 108.800 -0.010 0.000 2.408 158 G HA2 -0.208 3.753 3.960 0.001 0.000 0.217 158 G HA3 -0.208 3.753 3.960 0.001 0.000 0.217 158 G C 1.417 176.328 174.900 0.018 0.000 1.150 158 G CA 0.401 45.504 45.100 0.004 0.000 0.776 158 G HN 0.136 nan 8.290 nan 0.000 0.542 159 I N 1.036 121.610 120.570 0.008 0.000 2.179 159 I HA -0.124 4.046 4.170 0.001 0.000 0.242 159 I C 2.971 179.192 176.117 0.173 0.000 1.088 159 I CA 0.770 62.103 61.300 0.055 0.000 1.357 159 I CB -1.227 36.763 38.000 -0.017 0.000 1.051 159 I HN 0.035 nan 8.210 nan 0.000 0.409 160 V N 1.452 121.434 119.914 0.113 0.000 2.295 160 V HA -0.295 3.826 4.120 0.001 0.000 0.246 160 V C 2.331 178.520 176.094 0.157 0.000 1.049 160 V CA 2.279 64.666 62.300 0.145 0.000 1.024 160 V CB -1.081 30.773 31.823 0.052 0.000 0.648 160 V HN 0.436 nan 8.190 nan 0.000 0.447 161 N N 0.342 119.098 118.700 0.093 0.000 2.166 161 N HA -0.186 4.555 4.740 0.001 0.000 0.186 161 N C 1.452 177.009 175.510 0.077 0.000 1.019 161 N CA 1.610 54.705 53.050 0.075 0.000 0.856 161 N CB -0.200 38.313 38.487 0.043 0.000 0.993 161 N HN 0.455 nan 8.380 nan 0.000 0.426 162 D N -0.632 119.805 120.400 0.061 0.000 2.117 162 D HA -0.112 4.528 4.640 0.001 0.000 0.198 162 D C 1.542 177.838 176.300 -0.006 0.000 0.982 162 D CA 0.808 54.807 54.000 -0.002 0.000 0.828 162 D CB -0.405 40.357 40.800 -0.064 0.000 0.967 162 D HN 0.307 nan 8.370 nan 0.000 0.464 163 F N 1.154 121.134 119.950 0.051 0.000 2.102 163 F HA -0.083 4.444 4.527 0.001 0.000 0.298 163 F C 2.548 178.372 175.800 0.041 0.000 1.105 163 F CA 0.957 58.988 58.000 0.051 0.000 1.239 163 F CB -0.253 38.772 39.000 0.042 0.000 0.991 163 F HN -0.145 nan 8.300 nan 0.000 0.474 164 R N 0.341 120.975 120.500 0.223 0.000 2.083 164 R HA -0.263 4.078 4.340 0.001 0.000 0.237 164 R C 2.262 178.618 176.300 0.094 0.000 1.137 164 R CA 2.058 58.239 56.100 0.136 0.000 0.951 164 R CB -0.472 29.888 30.300 0.100 0.000 0.851 164 R HN 0.241 nan 8.270 nan 0.000 0.434 165 Q N 0.222 120.065 119.800 0.072 0.000 2.124 165 Q HA -0.059 4.282 4.340 0.001 0.000 0.202 165 Q C 1.787 177.812 176.000 0.042 0.000 0.977 165 Q CA 2.119 57.949 55.803 0.045 0.000 0.850 165 Q CB -0.283 28.478 28.738 0.038 0.000 0.901 165 Q HN 0.446 nan 8.270 nan 0.000 0.429 166 A N -0.696 122.153 122.820 0.049 0.000 1.969 166 A HA -0.094 4.227 4.320 0.001 0.000 0.218 166 A C 2.230 179.834 177.584 0.033 0.000 1.169 166 A CA 1.501 53.560 52.037 0.037 0.000 0.635 166 A CB -0.638 18.371 19.000 0.015 0.000 0.810 166 A HN 0.272 nan 8.150 nan 0.000 0.445 167 V N -0.249 119.710 119.914 0.075 0.000 2.358 167 V HA -0.202 3.919 4.120 0.001 0.000 0.246 167 V C 3.041 179.144 176.094 0.015 0.000 1.047 167 V CA 1.703 64.066 62.300 0.104 0.000 1.035 167 V CB -1.135 30.796 31.823 0.180 0.000 0.658 167 V HN 0.604 nan 8.190 nan 0.000 0.452 168 A N 0.720 123.529 122.820 -0.019 0.000 1.908 168 A HA -0.260 4.061 4.320 0.001 0.000 0.218 168 A C 2.035 179.542 177.584 -0.129 0.000 1.181 168 A CA 2.235 54.205 52.037 -0.112 0.000 0.627 168 A CB -0.694 18.270 19.000 -0.059 0.000 0.818 168 A HN 0.601 nan 8.150 nan 0.000 0.445 169 N N 0.423 119.094 118.700 -0.048 0.000 2.188 169 N HA -0.069 4.671 4.740 0.001 0.000 0.184 169 N C 1.813 177.322 175.510 -0.003 0.000 1.018 169 N CA 1.489 54.529 53.050 -0.017 0.000 0.858 169 N CB -0.621 37.883 38.487 0.027 0.000 0.989 169 N HN 0.488 nan 8.380 nan 0.000 0.426 170 A N 1.271 124.089 122.820 -0.003 0.000 1.902 170 A HA -0.137 4.184 4.320 0.001 0.000 0.217 170 A C 2.273 179.898 177.584 0.068 0.000 1.181 170 A CA 1.355 53.462 52.037 0.118 0.000 0.623 170 A CB -0.491 18.544 19.000 0.058 0.000 0.818 170 A HN 0.255 nan 8.150 nan 0.000 0.443 171 R N -0.112 120.176 120.500 -0.354 0.000 2.073 171 R HA -0.162 4.178 4.340 0.001 0.000 0.234 171 R C 2.043 178.154 176.300 -0.314 0.000 1.134 171 R CA 1.804 57.433 56.100 -0.785 0.000 0.952 171 R CB -0.318 29.128 30.300 -1.422 0.000 0.850 171 R HN 0.651 nan 8.270 nan 0.000 0.433 172 E N -0.305 119.770 120.200 -0.208 0.000 2.118 172 E HA -0.183 4.167 4.350 0.001 0.000 0.195 172 E C 1.690 178.264 176.600 -0.043 0.000 0.992 172 E CA 1.190 57.527 56.400 -0.104 0.000 0.804 172 E CB -0.060 29.600 29.700 -0.067 0.000 0.741 172 E HN 0.490 nan 8.360 nan 0.000 0.458 173 A N 0.113 122.934 122.820 0.000 0.000 2.206 173 A HA 0.176 4.497 4.320 0.001 0.000 0.211 173 A C 1.688 179.202 177.584 -0.117 0.000 1.158 173 A CA 0.976 53.012 52.037 -0.002 0.000 0.761 173 A CB -0.165 18.898 19.000 0.104 0.000 0.801 173 A HN 0.341 nan 8.150 nan 0.000 0.473 174 G N -1.958 106.816 108.800 -0.045 0.000 2.132 174 G HA2 -0.229 3.732 3.960 0.001 0.000 0.234 174 G HA3 -0.229 3.732 3.960 0.001 0.000 0.234 174 G C -0.045 174.863 174.900 0.014 0.000 0.989 174 G CA -0.044 45.059 45.100 0.004 0.000 0.676 174 G HN 0.279 nan 8.290 nan 0.000 0.522 175 F N 0.996 121.014 119.950 0.113 0.000 2.496 175 F HA 0.294 4.822 4.527 0.001 0.000 0.344 175 F C 1.659 177.608 175.800 0.248 0.000 1.155 175 F CA 0.321 58.387 58.000 0.111 0.000 1.302 175 F CB 0.561 39.571 39.000 0.017 0.000 1.159 175 F HN 0.016 nan 8.300 nan 0.000 0.595 176 D N 1.384 121.994 120.400 0.350 0.000 2.213 176 D HA 0.082 4.723 4.640 0.001 0.000 0.205 176 D C 0.348 176.668 176.300 0.033 0.000 0.961 176 D CA 1.266 55.383 54.000 0.196 0.000 0.853 176 D CB 0.382 41.260 40.800 0.130 0.000 0.967 176 D HN 0.214 nan 8.370 nan 0.000 0.496 177 L N -0.505 120.747 121.223 0.049 0.000 2.491 177 L HA 0.442 4.782 4.340 0.001 0.000 0.254 177 L C -0.921 175.918 176.870 -0.053 0.000 1.048 177 L CA -0.955 53.825 54.840 -0.100 0.000 0.855 177 L CB 2.849 44.879 42.059 -0.049 0.000 1.466 177 L HN -0.382 nan 8.230 nan 0.000 0.409 178 V N 0.244 120.085 119.914 -0.122 0.000 2.769 178 V HA 0.410 4.531 4.120 0.001 0.000 0.312 178 V C -0.802 175.186 176.094 -0.177 0.000 1.061 178 V CA -0.521 61.700 62.300 -0.132 0.000 0.931 178 V CB 2.078 33.879 31.823 -0.038 0.000 1.010 178 V HN 0.746 nan 8.190 nan 0.000 0.433 179 E N 3.573 123.685 120.200 -0.147 0.000 2.155 179 E HA 0.495 4.845 4.350 0.001 0.000 0.264 179 E C -1.273 175.281 176.600 -0.077 0.000 0.886 179 E CA -0.617 55.705 56.400 -0.130 0.000 0.752 179 E CB 1.262 30.963 29.700 0.002 0.000 1.133 179 E HN 0.601 nan 8.360 nan 0.000 0.414 180 L N 4.149 125.328 121.223 -0.074 0.000 2.410 180 L HA 0.130 4.471 4.340 0.001 0.000 0.273 180 L C 0.449 177.361 176.870 0.071 0.000 1.144 180 L CA -0.375 54.475 54.840 0.017 0.000 0.863 180 L CB 0.287 42.291 42.059 -0.091 0.000 1.140 180 L HN 0.520 nan 8.230 nan 0.000 0.463 181 H N 2.868 122.003 119.070 0.109 0.000 3.014 181 H HA 0.092 4.649 4.556 0.001 0.000 0.266 181 H C 0.319 175.733 175.328 0.144 0.000 1.455 181 H CA -0.054 56.063 56.048 0.115 0.000 1.402 181 H CB 0.866 30.760 29.762 0.219 0.000 1.626 181 H HN 0.534 nan 8.280 nan 0.000 0.520 182 S N 2.969 118.823 115.700 0.255 0.000 2.561 182 S HA 0.559 5.030 4.470 0.001 0.000 0.245 182 S C 0.054 174.670 174.600 0.027 0.000 1.001 182 S CA 0.028 58.306 58.200 0.130 0.000 1.002 182 S CB -0.513 62.690 63.200 0.005 0.000 0.805 182 S HN 0.736 nan 8.310 nan 0.000 0.458 183 A N -0.115 122.785 122.820 0.132 0.000 2.437 183 A HA 0.752 5.072 4.320 0.001 0.000 0.288 183 A C 0.026 177.666 177.584 0.093 0.000 1.201 183 A CA -0.528 51.364 52.037 -0.241 0.000 0.795 183 A CB 0.278 18.926 19.000 -0.587 0.000 1.359 183 A HN 0.688 nan 8.150 nan 0.000 0.435 184 H N -1.095 117.993 119.070 0.031 0.000 2.958 184 H HA -0.203 4.354 4.556 0.002 0.000 0.274 184 H C 1.212 176.531 175.328 -0.015 0.000 1.184 184 H CA 1.085 57.248 56.048 0.192 0.000 1.143 184 H CB -1.369 28.633 29.762 0.400 0.000 1.297 184 H HN 2.303 nan 8.280 nan 0.000 0.356 185 G N -1.527 107.509 108.800 0.395 0.000 2.148 185 G HA2 -0.366 3.595 3.960 0.001 0.000 0.254 185 G HA3 -0.366 3.595 3.960 0.001 0.000 0.254 185 G C 0.041 174.822 174.900 -0.198 0.000 0.981 185 G CA 0.625 45.737 45.100 0.020 0.000 0.670 185 G HN 0.513 nan 8.290 nan 0.000 0.528 186 Y N -1.310 119.112 120.300 0.202 0.000 2.314 186 Y HA 0.573 5.123 4.550 0.001 0.000 0.359 186 Y C 1.814 177.810 175.900 0.160 0.000 1.360 186 Y CA -0.415 57.751 58.100 0.110 0.000 1.697 186 Y CB -0.235 38.232 38.460 0.011 0.000 1.630 186 Y HN 0.029 nan 8.280 nan 0.000 0.583 187 L N 0.256 121.694 121.223 0.359 0.000 2.012 187 L HA -0.192 4.148 4.340 0.001 0.000 0.210 187 L C 1.800 178.878 176.870 0.346 0.000 1.073 187 L CA 1.712 56.725 54.840 0.288 0.000 0.748 187 L CB -0.872 41.293 42.059 0.176 0.000 0.891 187 L HN 0.679 nan 8.230 nan 0.000 0.431 188 L N -1.471 119.942 121.223 0.316 0.000 2.046 188 L HA -0.267 4.074 4.340 0.001 0.000 0.208 188 L C 2.621 179.678 176.870 0.312 0.000 1.077 188 L CA 1.710 56.696 54.840 0.243 0.000 0.747 188 L CB -0.875 41.263 42.059 0.133 0.000 0.896 188 L HN 0.477 nan 8.230 nan 0.000 0.432 189 H N -0.096 119.078 119.070 0.173 0.000 2.423 189 H HA -0.159 4.397 4.556 0.001 0.000 0.297 189 H C 2.277 177.680 175.328 0.125 0.000 1.075 189 H CA 1.111 57.236 56.048 0.129 0.000 1.342 189 H CB 0.372 30.190 29.762 0.093 0.000 1.395 189 H HN 0.428 nan 8.280 nan 0.000 0.530 190 Q N -0.360 119.519 119.800 0.131 0.000 2.135 190 Q HA -0.164 4.176 4.340 0.001 0.000 0.204 190 Q C 1.872 177.854 176.000 -0.031 0.000 0.981 190 Q CA 1.715 57.511 55.803 -0.012 0.000 0.856 190 Q CB -0.033 28.703 28.738 -0.002 0.000 0.902 190 Q HN 0.436 nan 8.270 nan 0.000 0.425 191 F N 0.011 119.982 119.950 0.036 0.000 2.163 191 F HA -0.112 4.416 4.527 0.001 0.000 0.297 191 F C 1.898 177.736 175.800 0.065 0.000 1.094 191 F CA 0.842 58.875 58.000 0.055 0.000 1.290 191 F CB -0.111 38.939 39.000 0.083 0.000 1.017 191 F HN 0.009 nan 8.300 nan 0.000 0.483 192 L N -1.082 120.302 121.223 0.268 0.000 2.083 192 L HA -0.143 4.198 4.340 0.001 0.000 0.209 192 L C 1.312 178.257 176.870 0.126 0.000 1.083 192 L CA 0.713 55.682 54.840 0.214 0.000 0.752 192 L CB -0.485 41.745 42.059 0.285 0.000 0.899 192 L HN -0.012 nan 8.230 nan 0.000 0.433 193 S N -0.689 115.029 115.700 0.030 0.000 2.513 193 S HA 0.202 4.673 4.470 0.001 0.000 0.276 193 S C -1.592 172.984 174.600 -0.039 0.000 1.254 193 S CA -1.567 56.610 58.200 -0.037 0.000 1.053 193 S CB 1.179 64.262 63.200 -0.196 0.000 0.958 193 S HN -0.114 nan 8.310 nan 0.000 0.491 194 P HA -0.101 nan 4.420 nan 0.000 0.219 194 P C 1.556 178.828 177.300 -0.047 0.000 1.146 194 P CA 1.056 64.139 63.100 -0.028 0.000 0.808 194 P CB -0.091 31.600 31.700 -0.015 0.000 0.779 195 S N -0.731 114.937 115.700 -0.052 0.000 2.423 195 S HA -0.103 4.368 4.470 0.001 0.000 0.231 195 S C 1.798 176.352 174.600 -0.077 0.000 1.014 195 S CA 1.581 59.747 58.200 -0.057 0.000 0.965 195 S CB -1.267 61.903 63.200 -0.050 0.000 0.785 195 S HN 0.266 nan 8.310 nan 0.000 0.495 196 S N 0.107 115.744 115.700 -0.104 0.000 2.540 196 S HA 0.312 4.783 4.470 0.001 0.000 0.222 196 S C 0.203 174.707 174.600 -0.159 0.000 1.008 196 S CA -0.519 57.605 58.200 -0.127 0.000 0.939 196 S CB -0.287 62.825 63.200 -0.146 0.000 0.865 196 S HN 0.446 nan 8.310 nan 0.000 0.499 197 N N 2.005 120.620 118.700 -0.142 0.000 2.524 197 N HA 0.303 5.043 4.740 0.001 0.000 0.261 197 N C -0.529 174.919 175.510 -0.104 0.000 0.998 197 N CA -0.214 52.734 53.050 -0.170 0.000 0.915 197 N CB 1.429 39.823 38.487 -0.156 0.000 1.187 197 N HN 0.285 nan 8.380 nan 0.000 0.507 198 Q N 1.644 121.383 119.800 -0.102 0.000 2.175 198 Q HA 0.262 4.603 4.340 0.001 0.000 0.225 198 Q C -0.145 175.826 176.000 -0.049 0.000 0.837 198 Q CA -0.274 55.491 55.803 -0.064 0.000 1.032 198 Q CB 0.863 29.567 28.738 -0.058 0.000 1.137 198 Q HN 0.337 nan 8.270 nan 0.000 0.483 199 R N 0.932 121.400 120.500 -0.053 0.000 2.734 199 R HA 0.045 4.386 4.340 0.001 0.000 0.266 199 R C 0.953 177.260 176.300 0.011 0.000 1.044 199 R CA 0.863 56.956 56.100 -0.013 0.000 1.128 199 R CB 0.309 30.622 30.300 0.022 0.000 1.010 199 R HN 0.107 nan 8.270 nan 0.000 0.461 200 T N -3.063 111.503 114.554 0.021 0.000 3.182 200 T HA 0.067 4.418 4.350 0.001 0.000 0.277 200 T C -0.051 174.670 174.700 0.035 0.000 1.013 200 T CA -0.591 61.520 62.100 0.020 0.000 0.900 200 T CB -0.210 68.663 68.868 0.008 0.000 1.098 200 T HN 0.642 nan 8.240 nan 0.000 0.543 201 D N 0.885 121.324 120.400 0.066 0.000 2.560 201 D HA 0.096 4.736 4.640 0.001 0.000 0.277 201 D C 1.546 177.889 176.300 0.072 0.000 1.194 201 D CA -0.729 53.322 54.000 0.085 0.000 1.092 201 D CB 0.357 41.238 40.800 0.134 0.000 1.169 201 D HN 0.104 nan 8.370 nan 0.000 0.607 202 Q N -0.967 118.864 119.800 0.051 0.000 2.515 202 Q HA -0.114 4.227 4.340 0.001 0.000 0.212 202 Q C 0.265 176.098 176.000 -0.279 0.000 0.970 202 Q CA 0.983 56.715 55.803 -0.118 0.000 0.941 202 Q CB -0.485 28.137 28.738 -0.193 0.000 0.998 202 Q HN 0.608 nan 8.270 nan 0.000 0.518 203 Y N 0.276 120.636 120.300 0.100 0.000 2.555 203 Y HA 0.485 5.035 4.550 0.001 0.000 0.259 203 Y C 1.053 177.059 175.900 0.176 0.000 1.179 203 Y CA -0.014 58.194 58.100 0.179 0.000 1.230 203 Y CB 1.211 39.849 38.460 0.297 0.000 1.146 203 Y HN 0.186 nan 8.280 nan 0.000 0.526 204 G N -1.941 106.955 108.800 0.160 0.000 2.708 204 G HA2 0.531 4.492 3.960 0.001 0.000 0.289 204 G HA3 0.531 4.492 3.960 0.001 0.000 0.289 204 G C 0.165 175.083 174.900 0.030 0.000 1.416 204 G CA -0.197 44.954 45.100 0.085 0.000 0.829 204 G HN 0.328 nan 8.290 nan 0.000 0.480 205 G N -0.150 108.656 108.800 0.010 0.000 3.298 205 G HA2 0.035 3.995 3.960 0.001 0.000 0.260 205 G HA3 0.035 3.995 3.960 0.001 0.000 0.260 205 G C 1.054 175.942 174.900 -0.021 0.000 1.681 205 G CA 0.784 45.878 45.100 -0.009 0.000 1.094 205 G HN 2.327 nan 8.290 nan 0.000 0.575 206 S N 0.533 116.211 115.700 -0.037 0.000 2.589 206 S HA 0.465 4.936 4.470 0.001 0.000 0.265 206 S C 1.506 176.058 174.600 -0.080 0.000 1.342 206 S CA 0.632 58.791 58.200 -0.068 0.000 1.005 206 S CB 1.733 64.880 63.200 -0.088 0.000 0.909 206 S HN 1.922 nan 8.310 nan 0.000 0.555 207 V N 1.506 121.339 119.914 -0.136 0.000 2.407 207 V HA -0.152 3.969 4.120 0.001 0.000 0.248 207 V C 2.297 178.274 176.094 -0.195 0.000 1.055 207 V CA 2.504 64.710 62.300 -0.157 0.000 1.049 207 V CB -1.172 30.511 31.823 -0.232 0.000 0.662 207 V HN 0.960 nan 8.190 nan 0.000 0.455 208 E N 0.588 120.606 120.200 -0.303 0.000 2.085 208 E HA -0.193 4.157 4.350 0.001 0.000 0.194 208 E C 2.045 178.627 176.600 -0.031 0.000 0.994 208 E CA 1.796 58.098 56.400 -0.163 0.000 0.801 208 E CB -0.362 29.254 29.700 -0.140 0.000 0.743 208 E HN 0.602 nan 8.360 nan 0.000 0.453 209 N N 0.256 118.921 118.700 -0.058 0.000 2.142 209 N HA -0.077 4.664 4.740 0.001 0.000 0.186 209 N C 1.540 177.076 175.510 0.044 0.000 1.023 209 N CA 0.898 53.917 53.050 -0.052 0.000 0.852 209 N CB -0.092 38.367 38.487 -0.047 0.000 0.998 209 N HN 0.105 nan 8.380 nan 0.000 0.424 210 R N 0.278 120.825 120.500 0.078 0.000 2.115 210 R HA 0.111 4.452 4.340 0.001 0.000 0.230 210 R C 1.634 178.053 176.300 0.198 0.000 1.111 210 R CA 1.086 57.284 56.100 0.163 0.000 0.976 210 R CB -0.127 30.241 30.300 0.113 0.000 0.870 210 R HN 0.157 nan 8.270 nan 0.000 0.445 211 A N 0.760 123.678 122.820 0.164 0.000 2.218 211 A HA -0.012 4.309 4.320 0.001 0.000 0.209 211 A C 1.947 179.605 177.584 0.123 0.000 1.168 211 A CA 0.116 52.259 52.037 0.177 0.000 0.804 211 A CB -0.247 18.922 19.000 0.282 0.000 0.834 211 A HN 0.162 nan 8.150 nan 0.000 0.482 212 R N -0.530 120.025 120.500 0.092 0.000 2.083 212 R HA -0.167 4.174 4.340 0.001 0.000 0.237 212 R C 1.978 178.329 176.300 0.085 0.000 1.137 212 R CA 1.882 57.996 56.100 0.024 0.000 0.951 212 R CB -0.381 29.801 30.300 -0.197 0.000 0.851 212 R HN 0.446 nan 8.270 nan 0.000 0.434 213 L N 0.749 122.057 121.223 0.142 0.000 2.017 213 L HA -0.138 4.203 4.340 0.001 0.000 0.208 213 L C 2.369 179.190 176.870 -0.083 0.000 1.073 213 L CA 1.974 56.814 54.840 -0.000 0.000 0.745 213 L CB -0.632 41.211 42.059 -0.360 0.000 0.894 213 L HN 0.220 nan 8.230 nan 0.000 0.432 214 V N -1.583 118.293 119.914 -0.065 0.000 2.407 214 V HA -0.233 3.887 4.120 0.001 0.000 0.248 214 V C 2.318 178.353 176.094 -0.098 0.000 1.055 214 V CA 2.049 64.282 62.300 -0.112 0.000 1.049 214 V CB -0.746 31.041 31.823 -0.061 0.000 0.662 214 V HN 0.480 nan 8.190 nan 0.000 0.455 215 L N -0.105 121.094 121.223 -0.040 0.000 2.156 215 L HA -0.058 4.283 4.340 0.001 0.000 0.208 215 L C 2.834 179.683 176.870 -0.036 0.000 1.095 215 L CA 1.846 56.664 54.840 -0.038 0.000 0.770 215 L CB -0.635 41.416 42.059 -0.014 0.000 0.914 215 L HN 0.378 nan 8.230 nan 0.000 0.439 216 E N -0.277 119.911 120.200 -0.021 0.000 2.077 216 E HA -0.193 4.158 4.350 0.001 0.000 0.193 216 E C 2.283 178.858 176.600 -0.041 0.000 0.989 216 E CA 1.280 57.675 56.400 -0.009 0.000 0.800 216 E CB -0.042 29.677 29.700 0.031 0.000 0.746 216 E HN 0.252 nan 8.360 nan 0.000 0.452 217 V N 0.760 120.610 119.914 -0.107 0.000 2.295 217 V HA -0.231 3.889 4.120 0.001 0.000 0.246 217 V C 2.332 178.348 176.094 -0.129 0.000 1.049 217 V CA 1.297 63.493 62.300 -0.172 0.000 1.024 217 V CB -0.335 31.212 31.823 -0.459 0.000 0.648 217 V HN 0.137 nan 8.190 nan 0.000 0.447 218 V N 0.261 120.099 119.914 -0.126 0.000 2.287 218 V HA -0.289 3.832 4.120 0.001 0.000 0.248 218 V C 2.305 178.373 176.094 -0.044 0.000 1.053 218 V CA 2.311 64.558 62.300 -0.087 0.000 1.027 218 V CB -0.719 31.056 31.823 -0.080 0.000 0.646 218 V HN 0.568 nan 8.190 nan 0.000 0.447 219 D N 0.212 120.593 120.400 -0.031 0.000 2.117 219 D HA -0.112 4.529 4.640 0.001 0.000 0.197 219 D C 2.234 178.537 176.300 0.006 0.000 0.987 219 D CA 1.633 55.627 54.000 -0.010 0.000 0.829 219 D CB -0.311 40.486 40.800 -0.005 0.000 0.961 219 D HN 0.448 nan 8.370 nan 0.000 0.460 220 A N 0.822 123.648 122.820 0.009 0.000 1.902 220 A HA -0.142 4.179 4.320 0.001 0.000 0.217 220 A C 2.472 180.087 177.584 0.052 0.000 1.181 220 A CA 2.098 54.155 52.037 0.034 0.000 0.623 220 A CB -0.748 18.278 19.000 0.044 0.000 0.818 220 A HN 0.244 nan 8.150 nan 0.000 0.443 221 V N -3.312 116.629 119.914 0.046 0.000 2.591 221 V HA -0.162 3.958 4.120 0.001 0.000 0.249 221 V C 2.237 178.382 176.094 0.085 0.000 1.053 221 V CA 1.563 63.911 62.300 0.080 0.000 1.068 221 V CB -1.568 30.300 31.823 0.075 0.000 0.689 221 V HN 0.519 nan 8.190 nan 0.000 0.462 222 C N 1.189 120.511 119.300 0.038 0.000 2.429 222 C HA -0.080 4.380 4.460 0.001 0.000 0.277 222 C C 2.823 177.848 174.990 0.058 0.000 1.262 222 C CA 1.498 60.533 59.018 0.029 0.000 1.733 222 C CB -1.619 26.119 27.740 -0.003 0.000 2.010 222 C HN 0.673 nan 8.230 nan 0.000 0.483 223 N N 0.654 119.386 118.700 0.054 0.000 2.188 223 N HA -0.127 4.614 4.740 0.001 0.000 0.184 223 N C 1.756 177.316 175.510 0.083 0.000 1.018 223 N CA 1.283 54.367 53.050 0.057 0.000 0.858 223 N CB -0.419 38.092 38.487 0.041 0.000 0.989 223 N HN 0.587 nan 8.380 nan 0.000 0.426 224 E N -0.170 120.090 120.200 0.101 0.000 2.051 224 E HA -0.131 4.220 4.350 0.001 0.000 0.192 224 E C 1.298 178.004 176.600 0.177 0.000 0.991 224 E CA 1.174 57.640 56.400 0.109 0.000 0.799 224 E CB -0.064 29.699 29.700 0.105 0.000 0.748 224 E HN 0.313 nan 8.360 nan 0.000 0.449 225 W N -0.453 120.849 121.300 0.003 0.000 4.432 225 W HA 0.552 5.213 4.660 0.001 0.000 0.381 225 W C -0.155 176.361 176.519 -0.004 0.000 3.372 225 W CA 0.475 57.820 57.345 0.001 0.000 1.285 225 W CB 0.063 29.523 29.460 -0.000 0.000 2.109 225 W HN -0.054 nan 8.180 nan 0.000 0.373 226 S N -0.989 114.778 115.700 0.113 0.000 2.537 226 S HA 0.513 4.984 4.470 0.001 0.000 0.271 226 S C 0.314 174.834 174.600 -0.134 0.000 1.148 226 S CA 0.025 58.199 58.200 -0.044 0.000 0.868 226 S CB 1.103 64.231 63.200 -0.120 0.000 1.115 226 S HN 0.552 nan 8.310 nan 0.000 0.461 227 A N 2.147 124.913 122.820 -0.089 0.000 1.978 227 A HA -0.084 4.237 4.320 0.001 0.000 0.220 227 A C 1.463 178.961 177.584 -0.144 0.000 1.170 227 A CA 2.198 54.177 52.037 -0.097 0.000 0.636 227 A CB -0.801 18.161 19.000 -0.064 0.000 0.810 227 A HN 0.940 nan 8.150 nan 0.000 0.448 228 D N -1.350 118.952 120.400 -0.164 0.000 2.363 228 D HA -0.070 4.570 4.640 0.001 0.000 0.226 228 D C 1.318 177.456 176.300 -0.271 0.000 1.020 228 D CA 0.297 54.194 54.000 -0.172 0.000 0.892 228 D CB -0.247 40.473 40.800 -0.132 0.000 0.900 228 D HN 0.299 nan 8.370 nan 0.000 0.531 229 R N -0.070 120.184 120.500 -0.411 0.000 2.397 229 R HA 0.227 4.568 4.340 0.001 0.000 0.241 229 R C 0.014 176.067 176.300 -0.412 0.000 0.914 229 R CA -0.226 55.510 56.100 -0.605 0.000 1.071 229 R CB 0.910 30.411 30.300 -1.332 0.000 1.116 229 R HN 0.201 nan 8.270 nan 0.000 0.524 230 I N 0.577 120.965 120.570 -0.302 0.000 2.378 230 I HA 0.390 4.560 4.170 0.001 0.000 0.291 230 I C 0.706 176.577 176.117 -0.409 0.000 0.992 230 I CA -0.838 60.297 61.300 -0.276 0.000 1.154 230 I CB 1.169 39.066 38.000 -0.173 0.000 1.315 230 I HN -0.065 nan 8.210 nan 0.000 0.448 231 G N 5.899 114.302 108.800 -0.661 0.000 2.568 231 G HA2 0.817 4.778 3.960 0.001 0.000 0.313 231 G HA3 0.817 4.778 3.960 0.001 0.000 0.313 231 G C -1.323 173.236 174.900 -0.568 0.000 1.227 231 G CA -0.572 43.837 45.100 -1.152 0.000 0.979 231 G HN 0.529 nan 8.290 nan 0.000 0.486 232 I N -0.460 119.878 120.570 -0.385 0.000 2.656 232 I HA 0.557 4.727 4.170 0.001 0.000 0.292 232 I C -0.691 175.388 176.117 -0.063 0.000 1.144 232 I CA -1.046 60.151 61.300 -0.173 0.000 1.038 232 I CB 2.128 40.033 38.000 -0.158 0.000 1.244 232 I HN 0.478 nan 8.210 nan 0.000 0.420 233 R N 6.714 127.157 120.500 -0.094 0.000 2.294 233 R HA 0.719 5.060 4.340 0.001 0.000 0.319 233 R C -1.322 174.849 176.300 -0.214 0.000 0.984 233 R CA -0.519 55.466 56.100 -0.192 0.000 0.861 233 R CB 1.492 31.544 30.300 -0.413 0.000 1.104 233 R HN 0.512 nan 8.270 nan 0.000 0.451 234 V N 0.675 120.450 119.914 -0.233 0.000 3.001 234 V HA 0.687 4.807 4.120 0.001 0.000 0.314 234 V C -0.465 175.419 176.094 -0.350 0.000 1.099 234 V CA -0.761 61.386 62.300 -0.255 0.000 0.989 234 V CB 2.151 33.883 31.823 -0.152 0.000 1.040 234 V HN 0.828 nan 8.190 nan 0.000 0.434 235 S N 0.871 116.262 115.700 -0.515 0.000 2.235 235 S HA 0.501 4.971 4.470 0.001 0.000 0.152 235 S C -2.099 172.244 174.600 -0.429 0.000 1.649 235 S CA -0.709 57.067 58.200 -0.706 0.000 1.277 235 S CB 1.171 63.459 63.200 -1.520 0.000 1.299 235 S HN 0.783 nan 8.310 nan 0.000 0.388 236 P HA 0.347 nan 4.420 nan 0.000 0.261 236 P C -0.317 177.055 177.300 0.120 0.000 1.268 236 P CA 0.036 63.166 63.100 0.051 0.000 0.833 236 P CB 0.280 32.020 31.700 0.067 0.000 1.231 237 I N 0.208 120.891 120.570 0.189 0.000 2.447 237 I HA 0.554 4.724 4.170 0.001 0.000 0.287 237 I C 0.868 177.199 176.117 0.357 0.000 1.023 237 I CA -0.131 61.234 61.300 0.109 0.000 1.083 237 I CB 0.773 38.641 38.000 -0.221 0.000 1.245 237 I HN 0.148 nan 8.210 nan 0.000 0.434 238 G N 5.140 114.083 108.800 0.238 0.000 2.549 238 G HA2 -0.095 3.866 3.960 0.001 0.000 0.404 238 G HA3 -0.095 3.866 3.960 0.001 0.000 0.404 238 G C -0.726 174.283 174.900 0.183 0.000 1.292 238 G CA -0.903 44.290 45.100 0.157 0.000 0.935 238 G HN 0.534 nan 8.290 nan 0.000 0.512 239 T N 0.580 115.071 114.554 -0.105 0.000 2.797 239 T HA 0.682 5.033 4.350 0.001 0.000 0.279 239 T C -1.054 173.422 174.700 -0.374 0.000 0.991 239 T CA -0.005 62.066 62.100 -0.048 0.000 0.979 239 T CB 1.005 69.841 68.868 -0.054 0.000 0.943 239 T HN 0.560 nan 8.240 nan 0.000 0.444 240 F N 1.851 121.886 119.950 0.141 0.000 2.536 240 F HA 0.367 4.895 4.527 0.001 0.000 0.322 240 F C 0.817 176.670 175.800 0.087 0.000 1.144 240 F CA -0.935 57.148 58.000 0.140 0.000 0.924 240 F CB 1.652 40.812 39.000 0.266 0.000 1.181 240 F HN 0.535 nan 8.300 nan 0.000 0.438 241 Q N 3.114 122.998 119.800 0.141 0.000 2.435 241 Q HA -0.334 4.007 4.340 0.001 0.000 0.312 241 Q C -0.080 175.948 176.000 0.046 0.000 1.333 241 Q CA 0.760 56.609 55.803 0.077 0.000 0.883 241 Q CB -1.106 27.665 28.738 0.055 0.000 1.170 241 Q HN 0.885 nan 8.270 nan 0.000 0.443 242 N N -3.039 115.682 118.700 0.035 0.000 2.909 242 N HA -0.156 4.585 4.740 0.001 0.000 0.242 242 N C -0.811 174.705 175.510 0.010 0.000 0.975 242 N CA 1.192 54.249 53.050 0.012 0.000 0.921 242 N CB -1.017 37.469 38.487 -0.002 0.000 1.112 242 N HN 0.254 nan 8.380 nan 0.000 0.581 243 V N 1.975 121.916 119.914 0.045 0.000 2.313 243 V HA 0.245 4.366 4.120 0.001 0.000 0.278 243 V C 0.430 176.580 176.094 0.093 0.000 1.017 243 V CA -0.864 61.434 62.300 -0.003 0.000 0.823 243 V CB 1.504 33.252 31.823 -0.125 0.000 1.010 243 V HN 0.237 nan 8.190 nan 0.000 0.443 244 D N 3.447 123.878 120.400 0.051 0.000 2.447 244 D HA 0.151 4.792 4.640 0.001 0.000 0.265 244 D C 0.412 176.778 176.300 0.110 0.000 1.250 244 D CA -0.630 53.430 54.000 0.101 0.000 1.046 244 D CB 0.640 41.470 40.800 0.049 0.000 1.095 244 D HN 0.245 nan 8.370 nan 0.000 0.555 245 N N -0.917 117.865 118.700 0.137 0.000 2.234 245 N HA 0.291 5.031 4.740 0.001 0.000 0.227 245 N C 0.396 175.950 175.510 0.073 0.000 1.151 245 N CA 0.465 53.600 53.050 0.142 0.000 0.865 245 N CB 0.750 39.354 38.487 0.195 0.000 1.066 245 N HN 0.747 nan 8.380 nan 0.000 0.515 246 G N 2.166 110.991 108.800 0.042 0.000 2.796 246 G HA2 -0.197 3.764 3.960 0.001 0.000 0.571 246 G HA3 -0.197 3.764 3.960 0.001 0.000 0.571 246 G C -2.069 172.839 174.900 0.013 0.000 1.370 246 G CA -0.577 44.535 45.100 0.019 0.000 0.856 246 G HN 0.058 nan 8.290 nan 0.000 0.538 247 P HA 0.088 nan 4.420 nan 0.000 0.241 247 P C 0.499 177.798 177.300 -0.003 0.000 1.191 247 P CA 0.850 63.949 63.100 -0.002 0.000 0.771 247 P CB -0.011 31.686 31.700 -0.005 0.000 0.929 248 N N 0.063 118.764 118.700 0.002 0.000 2.599 248 N HA 0.032 4.773 4.740 0.001 0.000 0.309 248 N C 1.160 176.676 175.510 0.011 0.000 1.743 248 N CA -0.257 52.794 53.050 0.003 0.000 0.918 248 N CB 0.282 38.770 38.487 0.002 0.000 1.339 248 N HN 0.201 nan 8.380 nan 0.000 0.493 249 E N 0.649 120.850 120.200 0.002 0.000 2.077 249 E HA -0.297 4.053 4.350 0.001 0.000 0.193 249 E C 1.462 178.056 176.600 -0.010 0.000 0.989 249 E CA 1.114 57.518 56.400 0.007 0.000 0.800 249 E CB 0.063 29.762 29.700 -0.002 0.000 0.746 249 E HN 0.526 nan 8.360 nan 0.000 0.452 250 E N 1.111 121.281 120.200 -0.050 0.000 2.028 250 E HA -0.179 4.172 4.350 0.001 0.000 0.191 250 E C 2.162 178.820 176.600 0.096 0.000 0.988 250 E CA 1.183 57.565 56.400 -0.030 0.000 0.799 250 E CB -0.216 29.441 29.700 -0.071 0.000 0.755 250 E HN 0.352 nan 8.360 nan 0.000 0.447 251 A N 1.129 123.991 122.820 0.071 0.000 1.908 251 A HA -0.221 4.100 4.320 0.001 0.000 0.218 251 A C 1.817 179.474 177.584 0.122 0.000 1.181 251 A CA 1.968 54.059 52.037 0.090 0.000 0.627 251 A CB -0.596 18.437 19.000 0.055 0.000 0.818 251 A HN 0.304 nan 8.150 nan 0.000 0.445 252 D N -0.084 120.377 120.400 0.101 0.000 2.144 252 D HA 0.006 4.647 4.640 0.001 0.000 0.200 252 D C 2.217 178.630 176.300 0.187 0.000 0.978 252 D CA 1.384 55.464 54.000 0.132 0.000 0.833 252 D CB -0.393 40.460 40.800 0.088 0.000 0.961 252 D HN 0.422 nan 8.370 nan 0.000 0.470 253 A N 0.595 123.510 122.820 0.157 0.000 1.902 253 A HA -0.108 4.212 4.320 0.001 0.000 0.217 253 A C 2.331 180.006 177.584 0.152 0.000 1.181 253 A CA 0.891 53.027 52.037 0.166 0.000 0.623 253 A CB -0.742 18.390 19.000 0.219 0.000 0.818 253 A HN 0.212 nan 8.150 nan 0.000 0.443 254 L N -2.007 119.317 121.223 0.169 0.000 2.141 254 L HA -0.168 4.173 4.340 0.001 0.000 0.209 254 L C 2.585 179.512 176.870 0.095 0.000 1.094 254 L CA 1.614 56.518 54.840 0.107 0.000 0.763 254 L CB -0.691 41.434 42.059 0.110 0.000 0.908 254 L HN 0.619 nan 8.230 nan 0.000 0.437 255 Y N 0.962 121.287 120.300 0.041 0.000 2.097 255 Y HA -0.312 4.239 4.550 0.001 0.000 0.282 255 Y C 2.410 178.327 175.900 0.029 0.000 1.152 255 Y CA 1.793 59.911 58.100 0.032 0.000 1.136 255 Y CB -0.288 38.190 38.460 0.030 0.000 0.975 255 Y HN 0.044 nan 8.280 nan 0.000 0.498 256 L N 0.547 121.751 121.223 -0.031 0.000 2.046 256 L HA -0.192 4.149 4.340 0.001 0.000 0.208 256 L C 2.209 178.987 176.870 -0.153 0.000 1.077 256 L CA 1.887 56.651 54.840 -0.126 0.000 0.747 256 L CB -0.858 41.228 42.059 0.045 0.000 0.896 256 L HN 0.409 nan 8.230 nan 0.000 0.432 257 I N -0.643 119.877 120.570 -0.084 0.000 2.252 257 I HA -0.264 3.906 4.170 0.001 0.000 0.245 257 I C 2.394 178.490 176.117 -0.035 0.000 1.102 257 I CA 1.300 62.558 61.300 -0.069 0.000 1.385 257 I CB -0.391 37.565 38.000 -0.074 0.000 1.064 257 I HN 0.349 nan 8.210 nan 0.000 0.414 258 E N 0.492 120.642 120.200 -0.083 0.000 2.110 258 E HA -0.221 4.130 4.350 0.001 0.000 0.193 258 E C 2.096 178.626 176.600 -0.115 0.000 0.988 258 E CA 0.974 57.327 56.400 -0.077 0.000 0.804 258 E CB 0.002 29.655 29.700 -0.077 0.000 0.745 258 E HN 0.415 nan 8.360 nan 0.000 0.458 259 E N 0.638 120.690 120.200 -0.247 0.000 2.072 259 E HA -0.131 4.220 4.350 0.001 0.000 0.191 259 E C 2.299 178.843 176.600 -0.094 0.000 0.985 259 E CA 0.612 56.876 56.400 -0.225 0.000 0.801 259 E CB -0.177 29.292 29.700 -0.385 0.000 0.750 259 E HN 0.307 nan 8.360 nan 0.000 0.452 260 L N 0.597 121.787 121.223 -0.055 0.000 2.083 260 L HA -0.166 4.175 4.340 0.001 0.000 0.209 260 L C 2.537 179.482 176.870 0.126 0.000 1.083 260 L CA 1.148 56.010 54.840 0.036 0.000 0.752 260 L CB -0.556 41.526 42.059 0.039 0.000 0.899 260 L HN 0.055 nan 8.230 nan 0.000 0.433 261 A N 0.160 123.069 122.820 0.149 0.000 1.978 261 A HA -0.224 4.097 4.320 0.001 0.000 0.220 261 A C 2.280 179.878 177.584 0.024 0.000 1.170 261 A CA 1.630 53.716 52.037 0.081 0.000 0.636 261 A CB -0.360 18.670 19.000 0.051 0.000 0.810 261 A HN 0.354 nan 8.150 nan 0.000 0.448 262 K N -0.925 119.482 120.400 0.012 0.000 2.209 262 K HA -0.111 4.210 4.320 0.001 0.000 0.204 262 K C 1.869 178.461 176.600 -0.014 0.000 1.048 262 K CA 1.309 57.592 56.287 -0.006 0.000 0.940 262 K CB -0.083 32.406 32.500 -0.019 0.000 0.729 262 K HN 0.240 nan 8.250 nan 0.000 0.451 263 R N -0.400 120.095 120.500 -0.008 0.000 2.276 263 R HA 0.059 4.400 4.340 0.001 0.000 0.196 263 R C 0.872 177.157 176.300 -0.025 0.000 0.961 263 R CA 0.663 56.755 56.100 -0.015 0.000 1.024 263 R CB 0.079 30.372 30.300 -0.012 0.000 0.940 263 R HN 0.328 nan 8.270 nan 0.000 0.480 264 G N 1.741 110.520 108.800 -0.036 0.000 2.246 264 G HA2 -0.288 3.673 3.960 0.001 0.000 0.273 264 G HA3 -0.288 3.673 3.960 0.001 0.000 0.273 264 G C 0.304 175.167 174.900 -0.063 0.000 1.055 264 G CA 0.515 45.572 45.100 -0.072 0.000 0.851 264 G HN 0.466 nan 8.290 nan 0.000 0.500 265 I N -3.064 117.497 120.570 -0.015 0.000 3.004 265 I HA 0.650 4.820 4.170 0.001 0.000 0.287 265 I C 1.604 177.740 176.117 0.033 0.000 1.144 265 I CA -0.226 61.074 61.300 0.000 0.000 1.353 265 I CB 0.543 38.557 38.000 0.024 0.000 1.417 265 I HN 0.145 nan 8.210 nan 0.000 0.602 266 A N 3.245 126.058 122.820 -0.012 0.000 1.902 266 A HA 0.015 4.335 4.320 0.001 0.000 0.217 266 A C 0.655 178.399 177.584 0.267 0.000 1.181 266 A CA 1.793 53.862 52.037 0.053 0.000 0.623 266 A CB -0.614 18.383 19.000 -0.005 0.000 0.818 266 A HN 0.955 nan 8.150 nan 0.000 0.443 267 Y N -4.355 116.062 120.300 0.196 0.000 2.624 267 Y HA 0.647 5.198 4.550 0.001 0.000 0.334 267 Y C -1.547 174.380 175.900 0.045 0.000 1.155 267 Y CA -2.453 55.778 58.100 0.218 0.000 1.046 267 Y CB 0.649 39.166 38.460 0.096 0.000 1.316 267 Y HN 0.118 nan 8.280 nan 0.000 0.457 268 L N 3.441 124.738 121.223 0.123 0.000 2.343 268 L HA 0.511 4.852 4.340 0.001 0.000 0.278 268 L C -1.428 175.481 176.870 0.065 0.000 0.996 268 L CA -0.360 54.339 54.840 -0.235 0.000 0.831 268 L CB 1.155 42.605 42.059 -1.014 0.000 1.232 268 L HN 0.942 nan 8.230 nan 0.000 0.413 269 H N 6.403 125.497 119.070 0.039 0.000 2.595 269 H HA 0.477 5.034 4.556 0.001 0.000 0.313 269 H C -1.062 174.221 175.328 -0.074 0.000 1.023 269 H CA -1.074 54.966 56.048 -0.015 0.000 1.218 269 H CB 0.950 30.757 29.762 0.075 0.000 1.403 269 H HN 0.512 nan 8.280 nan 0.000 0.477 270 M N 4.136 123.833 119.600 0.162 0.000 2.061 270 M HA 0.090 4.571 4.480 0.001 0.000 0.346 270 M C 0.083 176.408 176.300 0.042 0.000 1.112 270 M CA -0.306 55.042 55.300 0.079 0.000 1.021 270 M CB 1.140 33.846 32.600 0.177 0.000 1.530 270 M HN 0.439 nan 8.290 nan 0.000 0.437 271 S N 2.826 118.485 115.700 -0.068 0.000 2.416 271 S HA 0.181 4.652 4.470 0.001 0.000 0.287 271 S C 0.933 175.619 174.600 0.143 0.000 1.139 271 S CA -0.308 57.904 58.200 0.020 0.000 1.058 271 S CB 0.361 63.578 63.200 0.029 0.000 0.967 271 S HN 0.682 nan 8.310 nan 0.000 0.495 272 E N 2.573 122.851 120.200 0.130 0.000 2.250 272 E HA 0.063 4.413 4.350 0.001 0.000 0.192 272 E C 0.321 177.118 176.600 0.330 0.000 0.986 272 E CA 0.482 56.885 56.400 0.004 0.000 0.849 272 E CB 0.381 29.808 29.700 -0.456 0.000 0.797 272 E HN 0.789 nan 8.360 nan 0.000 0.482 273 T N -1.618 113.158 114.554 0.371 0.000 2.923 273 T HA 0.173 4.524 4.350 0.001 0.000 0.311 273 T C -0.853 173.963 174.700 0.194 0.000 1.183 273 T CA -1.094 61.118 62.100 0.186 0.000 1.020 273 T CB 2.326 71.229 68.868 0.059 0.000 1.165 273 T HN -0.156 nan 8.240 nan 0.000 0.482 274 D N 0.837 121.104 120.400 -0.221 0.000 2.382 274 D HA 0.095 4.735 4.640 0.001 0.000 0.240 274 D C 1.234 177.528 176.300 -0.010 0.000 1.146 274 D CA -0.336 53.588 54.000 -0.126 0.000 0.897 274 D CB 0.918 41.529 40.800 -0.314 0.000 1.197 274 D HN 0.572 nan 8.370 nan 0.000 0.432 275 L N 2.576 123.824 121.223 0.041 0.000 2.187 275 L HA -0.191 4.150 4.340 0.001 0.000 0.213 275 L C 2.253 179.153 176.870 0.051 0.000 1.100 275 L CA 1.252 56.136 54.840 0.073 0.000 0.765 275 L CB -0.271 41.857 42.059 0.114 0.000 0.904 275 L HN 0.440 nan 8.230 nan 0.000 0.437 276 A N -0.535 122.295 122.820 0.018 0.000 2.251 276 A HA 0.445 4.766 4.320 0.001 0.000 0.209 276 A C 1.046 178.622 177.584 -0.014 0.000 1.187 276 A CA 0.676 52.718 52.037 0.009 0.000 0.823 276 A CB -0.192 18.810 19.000 0.004 0.000 0.846 276 A HN 0.445 nan 8.150 nan 0.000 0.486 277 G N -3.053 105.728 108.800 -0.032 0.000 2.459 277 G HA2 0.519 4.480 3.960 0.001 0.000 0.685 277 G HA3 0.519 4.480 3.960 0.001 0.000 0.685 277 G C -0.255 174.595 174.900 -0.083 0.000 1.303 277 G CA -0.439 44.639 45.100 -0.037 0.000 0.907 277 G HN 1.799 nan 8.290 nan 0.000 0.632 278 G N -1.303 107.461 108.800 -0.060 0.000 2.523 278 G HA2 0.955 4.915 3.960 0.001 0.000 0.291 278 G HA3 0.955 4.915 3.960 0.001 0.000 0.291 278 G C -0.425 174.468 174.900 -0.012 0.000 1.450 278 G CA 0.524 45.584 45.100 -0.067 0.000 0.790 278 G HN 1.891 nan 8.290 nan 0.000 0.496 279 K N 0.518 120.923 120.400 0.009 0.000 2.270 279 K HA 0.765 5.086 4.320 0.001 0.000 0.276 279 K C -2.057 174.593 176.600 0.085 0.000 1.023 279 K CA -1.132 55.175 56.287 0.033 0.000 0.955 279 K CB -0.321 nan 32.500 nan 0.000 0.975 279 K HN 0.575 nan 8.250 nan 0.000 0.471 280 P HA 0.137 nan 4.420 nan 0.000 0.271 280 P C -0.763 176.682 177.300 0.242 0.000 1.218 280 P CA -0.448 62.722 63.100 0.116 0.000 0.780 280 P CB 0.094 31.828 31.700 0.057 0.000 0.901 281 Y N 0.420 120.756 120.300 0.060 0.000 2.511 281 Y HA 0.107 4.657 4.550 0.001 0.000 0.332 281 Y C 1.553 177.515 175.900 0.104 0.000 1.177 281 Y CA -0.622 57.547 58.100 0.115 0.000 1.422 281 Y CB -0.147 38.442 38.460 0.215 0.000 1.271 281 Y HN 0.317 nan 8.280 nan 0.000 0.550 282 S N 1.755 117.593 115.700 0.230 0.000 2.592 282 S HA 0.160 4.630 4.470 0.001 0.000 0.271 282 S C 0.862 175.579 174.600 0.194 0.000 1.326 282 S CA -0.690 57.610 58.200 0.167 0.000 1.024 282 S CB 1.034 64.303 63.200 0.114 0.000 0.921 282 S HN 0.727 nan 8.310 nan 0.000 0.527 283 E N 1.398 121.674 120.200 0.128 0.000 2.153 283 E HA -0.133 4.217 4.350 0.001 0.000 0.194 283 E C 2.262 178.914 176.600 0.086 0.000 0.988 283 E CA 1.124 57.585 56.400 0.101 0.000 0.811 283 E CB -0.391 29.347 29.700 0.064 0.000 0.746 283 E HN 0.843 nan 8.360 nan 0.000 0.466 284 A N 1.080 123.955 122.820 0.091 0.000 1.902 284 A HA -0.197 4.124 4.320 0.001 0.000 0.217 284 A C 1.949 179.591 177.584 0.097 0.000 1.181 284 A CA 1.098 53.182 52.037 0.078 0.000 0.623 284 A CB -0.657 18.389 19.000 0.076 0.000 0.818 284 A HN 0.337 nan 8.150 nan 0.000 0.443 285 F N 0.825 120.767 119.950 -0.013 0.000 2.146 285 F HA -0.116 4.412 4.527 0.001 0.000 0.298 285 F C 2.353 178.138 175.800 -0.026 0.000 1.096 285 F CA 1.634 59.602 58.000 -0.053 0.000 1.275 285 F CB -0.302 38.614 39.000 -0.141 0.000 1.008 285 F HN 0.116 nan 8.300 nan 0.000 0.480 286 R N -0.105 120.363 120.500 -0.053 0.000 2.105 286 R HA -0.181 4.160 4.340 0.001 0.000 0.239 286 R C 2.211 178.428 176.300 -0.137 0.000 1.135 286 R CA 1.581 57.620 56.100 -0.101 0.000 0.967 286 R CB -0.574 29.771 30.300 0.075 0.000 0.861 286 R HN 0.430 nan 8.270 nan 0.000 0.442 287 Q N 0.755 120.510 119.800 -0.076 0.000 2.119 287 Q HA -0.120 4.221 4.340 0.001 0.000 0.201 287 Q C 1.910 177.851 176.000 -0.099 0.000 0.972 287 Q CA 1.279 57.045 55.803 -0.060 0.000 0.847 287 Q CB -0.045 28.682 28.738 -0.018 0.000 0.903 287 Q HN 0.382 nan 8.270 nan 0.000 0.433 288 K N 0.127 120.442 120.400 -0.140 0.000 2.097 288 K HA -0.077 4.243 4.320 0.001 0.000 0.206 288 K C 2.194 178.662 176.600 -0.220 0.000 1.049 288 K CA 1.043 57.242 56.287 -0.146 0.000 0.933 288 K CB -0.019 32.416 32.500 -0.109 0.000 0.717 288 K HN -0.016 nan 8.250 nan 0.000 0.442 289 V N 1.191 120.875 119.914 -0.382 0.000 2.307 289 V HA -0.215 3.906 4.120 0.001 0.000 0.245 289 V C 2.319 178.320 176.094 -0.155 0.000 1.045 289 V CA 1.593 63.696 62.300 -0.328 0.000 1.024 289 V CB -0.414 31.137 31.823 -0.454 0.000 0.651 289 V HN 0.202 nan 8.190 nan 0.000 0.449 290 R N 1.290 121.715 120.500 -0.126 0.000 2.096 290 R HA -0.178 4.162 4.340 0.001 0.000 0.235 290 R C 2.227 178.480 176.300 -0.078 0.000 1.127 290 R CA 1.994 58.056 56.100 -0.064 0.000 0.968 290 R CB -0.590 29.683 30.300 -0.046 0.000 0.861 290 R HN 0.810 nan 8.270 nan 0.000 0.440 291 E N -0.859 119.296 120.200 -0.076 0.000 2.482 291 E HA -0.101 4.249 4.350 0.001 0.000 0.196 291 E C 1.277 177.818 176.600 -0.099 0.000 1.047 291 E CA 0.562 56.931 56.400 -0.052 0.000 0.869 291 E CB 0.011 29.700 29.700 -0.018 0.000 0.836 291 E HN 0.248 nan 8.360 nan 0.000 0.520 292 R N -0.634 119.783 120.500 -0.139 0.000 2.308 292 R HA 0.230 4.571 4.340 0.001 0.000 0.202 292 R C -0.514 175.636 176.300 -0.250 0.000 0.898 292 R CA -0.039 55.972 56.100 -0.147 0.000 1.046 292 R CB 0.461 30.720 30.300 -0.067 0.000 1.026 292 R HN 0.067 nan 8.270 nan 0.000 0.512 293 F N 0.060 119.705 119.950 -0.507 0.000 2.547 293 F HA 0.327 4.855 4.527 0.002 0.000 0.316 293 F C 0.266 175.739 175.800 -0.545 0.000 1.121 293 F CA -0.989 56.736 58.000 -0.459 0.000 0.911 293 F CB 1.357 40.226 39.000 -0.219 0.000 1.179 293 F HN -0.035 nan 8.300 nan 0.000 0.443 294 H N 3.559 122.186 119.070 -0.738 0.000 2.672 294 H HA 0.337 4.894 4.556 0.001 0.000 0.277 294 H C 0.754 175.782 175.328 -0.500 0.000 1.074 294 H CA 0.338 56.114 56.048 -0.453 0.000 1.173 294 H CB 0.592 30.165 29.762 -0.315 0.000 1.558 294 H HN 0.673 nan 8.280 nan 0.000 0.539 295 G N 0.385 108.696 108.800 -0.816 0.000 2.828 295 G HA2 0.382 4.343 3.960 0.001 0.000 0.244 295 G HA3 0.382 4.343 3.960 0.001 0.000 0.244 295 G C -0.411 174.579 174.900 0.149 0.000 1.365 295 G CA -0.448 44.487 45.100 -0.275 0.000 1.041 295 G HN 0.028 nan 8.290 nan 0.000 0.560 296 V N 0.397 120.471 119.914 0.266 0.000 2.715 296 V HA 0.233 4.354 4.120 0.001 0.000 0.299 296 V C 0.074 176.322 176.094 0.256 0.000 1.054 296 V CA 0.285 62.708 62.300 0.205 0.000 1.077 296 V CB 0.979 32.890 31.823 0.147 0.000 0.972 296 V HN 0.352 nan 8.190 nan 0.000 0.484 297 I N 5.953 126.575 120.570 0.087 0.000 2.389 297 I HA 0.459 4.630 4.170 0.001 0.000 0.288 297 I C -0.431 175.594 176.117 -0.154 0.000 0.999 297 I CA -0.278 61.018 61.300 -0.006 0.000 1.129 297 I CB 1.530 39.534 38.000 0.007 0.000 1.288 297 I HN 0.413 nan 8.210 nan 0.000 0.444 298 I N 5.253 125.689 120.570 -0.223 0.000 2.377 298 I HA 0.484 4.655 4.170 0.001 0.000 0.293 298 I C 0.668 176.614 176.117 -0.286 0.000 0.987 298 I CA -0.386 60.659 61.300 -0.425 0.000 1.185 298 I CB 1.715 39.281 38.000 -0.723 0.000 1.341 298 I HN 0.583 nan 8.210 nan 0.000 0.455 299 G N 4.098 112.660 108.800 -0.397 0.000 2.389 299 G HA2 0.814 4.774 3.960 0.001 0.000 0.328 299 G HA3 0.814 4.774 3.960 0.001 0.000 0.328 299 G C -1.122 173.423 174.900 -0.592 0.000 1.133 299 G CA -0.458 44.432 45.100 -0.350 0.000 0.891 299 G HN 0.816 nan 8.290 nan 0.000 0.485 300 A N -0.373 122.319 122.820 -0.213 0.000 2.594 300 A HA 0.973 5.294 4.320 0.001 0.000 0.295 300 A C -0.106 177.589 177.584 0.186 0.000 1.071 300 A CA -0.088 51.886 52.037 -0.106 0.000 0.685 300 A CB 1.617 20.669 19.000 0.087 0.000 1.285 300 A HN 2.526 nan 8.150 nan 0.000 0.405 301 G N -0.185 108.767 108.800 0.253 0.000 2.594 301 G HA2 0.571 4.532 3.960 0.001 0.000 0.422 301 G HA3 0.571 4.532 3.960 0.001 0.000 0.422 301 G C 0.582 175.607 174.900 0.208 0.000 1.190 301 G CA 0.864 46.095 45.100 0.219 0.000 1.234 301 G HN 2.630 nan 8.290 nan 0.000 0.584 302 A N 0.228 123.163 122.820 0.192 0.000 2.832 302 A HA -0.182 4.139 4.320 0.001 0.000 0.280 302 A C 0.627 178.306 177.584 0.158 0.000 1.464 302 A CA 1.607 53.736 52.037 0.154 0.000 0.804 302 A CB -2.173 16.876 19.000 0.082 0.000 1.020 302 A HN 2.022 nan 8.150 nan 0.000 0.563 303 Y N 0.728 121.058 120.300 0.050 0.000 2.480 303 Y HA 0.408 4.958 4.550 0.001 0.000 0.338 303 Y C 1.629 177.683 175.900 0.256 0.000 1.220 303 Y CA 1.134 59.268 58.100 0.056 0.000 1.430 303 Y CB 0.658 39.021 38.460 -0.161 0.000 1.311 303 Y HN 0.646 nan 8.280 nan 0.000 0.575 304 T N -1.548 113.204 114.554 0.330 0.000 2.948 304 T HA 0.625 4.975 4.350 0.001 0.000 0.285 304 T C 1.041 175.976 174.700 0.391 0.000 1.019 304 T CA -0.425 61.865 62.100 0.317 0.000 1.013 304 T CB 1.575 70.522 68.868 0.132 0.000 1.117 304 T HN 0.676 nan 8.240 nan 0.000 0.533 305 A N 0.452 123.429 122.820 0.260 0.000 1.940 305 A HA 0.081 4.402 4.320 0.001 0.000 0.219 305 A C 2.549 180.222 177.584 0.148 0.000 1.176 305 A CA 2.252 54.422 52.037 0.221 0.000 0.631 305 A CB -1.817 17.235 19.000 0.086 0.000 0.814 305 A HN 1.183 nan 8.150 nan 0.000 0.446 306 E N 0.272 120.535 120.200 0.104 0.000 2.058 306 E HA -0.261 4.090 4.350 0.001 0.000 0.194 306 E C 2.067 178.703 176.600 0.060 0.000 0.997 306 E CA 1.961 58.401 56.400 0.066 0.000 0.801 306 E CB -0.669 29.058 29.700 0.044 0.000 0.746 306 E HN 0.784 nan 8.360 nan 0.000 0.450 307 K N -0.299 120.140 120.400 0.064 0.000 2.057 307 K HA 0.045 4.365 4.320 0.001 0.000 0.206 307 K C 2.522 179.181 176.600 0.099 0.000 1.050 307 K CA 1.112 57.406 56.287 0.012 0.000 0.935 307 K CB -0.345 32.075 32.500 -0.134 0.000 0.715 307 K HN 0.327 nan 8.250 nan 0.000 0.439 308 A N 1.320 124.274 122.820 0.224 0.000 1.865 308 A HA -0.232 4.089 4.320 0.001 0.000 0.217 308 A C 2.018 179.629 177.584 0.044 0.000 1.191 308 A CA 2.052 54.194 52.037 0.175 0.000 0.623 308 A CB -0.720 18.348 19.000 0.112 0.000 0.826 308 A HN 0.513 nan 8.150 nan 0.000 0.444 309 E N 0.225 120.442 120.200 0.028 0.000 2.110 309 E HA -0.218 4.132 4.350 0.001 0.000 0.193 309 E C 1.616 178.217 176.600 0.002 0.000 0.988 309 E CA 1.711 58.105 56.400 -0.010 0.000 0.804 309 E CB -0.364 29.337 29.700 0.001 0.000 0.745 309 E HN 0.630 nan 8.360 nan 0.000 0.458 310 D N -0.729 119.682 120.400 0.018 0.000 2.097 310 D HA -0.140 4.501 4.640 0.001 0.000 0.195 310 D C 1.871 178.178 176.300 0.013 0.000 0.989 310 D CA 1.451 55.459 54.000 0.013 0.000 0.827 310 D CB -0.087 40.719 40.800 0.011 0.000 0.966 310 D HN 0.281 nan 8.370 nan 0.000 0.456 311 L N -0.074 121.164 121.223 0.026 0.000 2.179 311 L HA 0.016 4.356 4.340 0.001 0.000 0.208 311 L C 2.446 179.317 176.870 0.002 0.000 1.096 311 L CA 0.353 55.210 54.840 0.029 0.000 0.779 311 L CB -0.215 41.887 42.059 0.072 0.000 0.922 311 L HN 0.169 nan 8.230 nan 0.000 0.443 312 I N -0.101 120.456 120.570 -0.021 0.000 2.252 312 I HA -0.173 3.998 4.170 0.001 0.000 0.245 312 I C 2.584 178.680 176.117 -0.035 0.000 1.102 312 I CA 1.393 62.661 61.300 -0.053 0.000 1.385 312 I CB -0.741 37.202 38.000 -0.094 0.000 1.064 312 I HN 0.249 nan 8.210 nan 0.000 0.414 313 G N 0.769 109.555 108.800 -0.023 0.000 2.432 313 G HA2 -0.205 3.755 3.960 0.001 0.000 0.219 313 G HA3 -0.205 3.755 3.960 0.001 0.000 0.219 313 G C 1.653 176.549 174.900 -0.006 0.000 1.135 313 G CA 0.407 45.499 45.100 -0.013 0.000 0.767 313 G HN 0.330 nan 8.290 nan 0.000 0.550 314 K N -0.107 120.291 120.400 -0.003 0.000 2.487 314 K HA 0.222 4.543 4.320 0.001 0.000 0.192 314 K C 1.614 178.214 176.600 -0.001 0.000 1.027 314 K CA 0.374 56.662 56.287 0.002 0.000 1.054 314 K CB 0.147 32.652 32.500 0.009 0.000 0.824 314 K HN 0.308 nan 8.250 nan 0.000 0.510 315 G N 1.156 109.951 108.800 -0.008 0.000 2.143 315 G HA2 -0.268 3.693 3.960 0.001 0.000 0.248 315 G HA3 -0.268 3.693 3.960 0.001 0.000 0.248 315 G C 0.594 175.489 174.900 -0.009 0.000 0.991 315 G CA 0.172 45.266 45.100 -0.010 0.000 0.689 315 G HN 0.262 nan 8.290 nan 0.000 0.522 316 L N -0.377 120.844 121.223 -0.005 0.000 2.298 316 L HA 0.442 4.783 4.340 0.001 0.000 0.209 316 L C 1.665 178.532 176.870 -0.005 0.000 1.084 316 L CA 1.055 55.896 54.840 0.002 0.000 0.816 316 L CB -0.074 41.997 42.059 0.021 0.000 0.967 316 L HN 0.599 nan 8.230 nan 0.000 0.460 317 I N -5.400 115.156 120.570 -0.023 0.000 3.145 317 I HA 0.383 4.553 4.170 0.001 0.000 0.313 317 I C -0.425 175.631 176.117 -0.101 0.000 1.122 317 I CA -0.767 60.496 61.300 -0.061 0.000 0.987 317 I CB 2.158 40.110 38.000 -0.080 0.000 1.236 317 I HN -0.191 nan 8.210 nan 0.000 0.453 318 D N 1.776 122.085 120.400 -0.151 0.000 2.422 318 D HA 0.381 5.022 4.640 0.001 0.000 0.218 318 D C 0.443 176.550 176.300 -0.321 0.000 1.047 318 D CA 0.574 54.466 54.000 -0.180 0.000 0.885 318 D CB 1.503 42.226 40.800 -0.129 0.000 1.035 318 D HN 0.680 nan 8.370 nan 0.000 0.502 319 A N 0.261 122.796 122.820 -0.474 0.000 2.609 319 A HA 0.585 4.906 4.320 0.001 0.000 0.291 319 A C -1.478 175.634 177.584 -0.787 0.000 1.096 319 A CA -0.513 51.053 52.037 -0.785 0.000 0.684 319 A CB 1.782 19.896 19.000 -1.476 0.000 1.282 319 A HN -0.104 nan 8.150 nan 0.000 0.412 320 V N 0.483 119.881 119.914 -0.859 0.000 2.656 320 V HA 0.719 4.840 4.120 0.001 0.000 0.307 320 V C 0.286 175.886 176.094 -0.824 0.000 1.051 320 V CA -0.168 61.559 62.300 -0.956 0.000 0.893 320 V CB 1.698 32.869 31.823 -1.087 0.000 0.999 320 V HN 1.533 nan 8.190 nan 0.000 0.426 321 A N 4.824 127.223 122.820 -0.702 0.000 2.260 321 A HA 0.830 5.151 4.320 0.001 0.000 0.314 321 A C -0.934 176.448 177.584 -0.337 0.000 1.257 321 A CA -0.222 51.625 52.037 -0.317 0.000 0.871 321 A CB 0.073 18.995 19.000 -0.131 0.000 1.166 321 A HN 0.591 nan 8.150 nan 0.000 0.522 322 F N 2.020 122.030 119.950 0.100 0.000 2.408 322 F HA 0.530 5.057 4.527 0.001 0.000 0.344 322 F C 1.331 177.236 175.800 0.175 0.000 1.112 322 F CA 0.531 58.606 58.000 0.124 0.000 1.096 322 F CB 2.002 41.060 39.000 0.095 0.000 1.129 322 F HN 0.663 nan 8.300 nan 0.000 0.486 323 G N 2.484 111.452 108.800 0.280 0.000 2.680 323 G HA2 0.020 3.981 3.960 0.001 0.000 0.224 323 G HA3 0.020 3.981 3.960 0.001 0.000 0.224 323 G C 1.452 176.404 174.900 0.087 0.000 1.454 323 G CA -0.187 45.010 45.100 0.161 0.000 0.900 323 G HN 0.528 nan 8.290 nan 0.000 0.570 324 R N 0.567 121.085 120.500 0.030 0.000 2.120 324 R HA -0.022 4.319 4.340 0.001 0.000 0.234 324 R C 2.047 178.326 176.300 -0.035 0.000 1.123 324 R CA 1.405 57.467 56.100 -0.063 0.000 0.975 324 R CB -0.142 30.181 30.300 0.038 0.000 0.866 324 R HN 0.248 nan 8.270 nan 0.000 0.446 325 D N -0.451 119.954 120.400 0.007 0.000 2.178 325 D HA -0.163 4.478 4.640 0.001 0.000 0.201 325 D C 1.420 177.603 176.300 -0.196 0.000 0.980 325 D CA 1.182 55.112 54.000 -0.117 0.000 0.842 325 D CB -0.093 40.582 40.800 -0.209 0.000 0.948 325 D HN 0.210 nan 8.370 nan 0.000 0.472 326 Y N 0.897 121.150 120.300 -0.078 0.000 2.286 326 Y HA 0.024 4.574 4.550 0.001 0.000 0.293 326 Y C 2.291 178.082 175.900 -0.182 0.000 1.124 326 Y CA 0.185 58.222 58.100 -0.105 0.000 1.178 326 Y CB -0.248 38.195 38.460 -0.028 0.000 1.010 326 Y HN -0.067 nan 8.280 nan 0.000 0.536 327 I N -0.745 119.805 120.570 -0.033 0.000 2.151 327 I HA -0.388 3.783 4.170 0.001 0.000 0.243 327 I C 2.309 178.113 176.117 -0.521 0.000 1.080 327 I CA 1.733 62.945 61.300 -0.148 0.000 1.339 327 I CB -0.508 37.337 38.000 -0.258 0.000 1.039 327 I HN 0.183 nan 8.210 nan 0.000 0.409 328 A N -0.525 121.904 122.820 -0.651 0.000 2.178 328 A HA 0.088 4.409 4.320 0.001 0.000 0.211 328 A C 0.625 177.883 177.584 -0.544 0.000 1.157 328 A CA 0.351 51.694 52.037 -1.157 0.000 0.780 328 A CB -0.088 18.591 19.000 -0.535 0.000 0.828 328 A HN 0.406 nan 8.150 nan 0.000 0.476 329 N N 0.149 118.658 118.700 -0.317 0.000 2.640 329 N HA 0.178 4.918 4.740 0.001 0.000 0.262 329 N C -2.608 172.816 175.510 -0.144 0.000 1.174 329 N CA -0.992 51.940 53.050 -0.196 0.000 0.791 329 N CB 1.947 40.285 38.487 -0.248 0.000 1.279 329 N HN 0.036 nan 8.380 nan 0.000 0.535 330 P HA -0.119 nan 4.420 nan 0.000 0.217 330 P C 0.275 177.604 177.300 0.048 0.000 1.150 330 P CA 1.437 64.547 63.100 0.017 0.000 0.832 330 P CB 0.196 31.895 31.700 -0.001 0.000 0.787 331 D N -0.386 120.002 120.400 -0.019 0.000 2.889 331 D HA 0.021 4.662 4.640 0.001 0.000 0.243 331 D C 1.423 177.662 176.300 -0.102 0.000 1.270 331 D CA -0.629 53.356 54.000 -0.024 0.000 0.838 331 D CB -0.559 40.228 40.800 -0.022 0.000 1.040 331 D HN -0.040 nan 8.370 nan 0.000 0.480 332 L N 0.376 121.454 121.223 -0.241 0.000 2.043 332 L HA -0.215 4.126 4.340 0.001 0.000 0.212 332 L C 1.989 178.735 176.870 -0.207 0.000 1.075 332 L CA 1.478 56.079 54.840 -0.399 0.000 0.752 332 L CB -0.379 41.112 42.059 -0.947 0.000 0.891 332 L HN 0.058 nan 8.230 nan 0.000 0.432 333 V N -0.078 119.803 119.914 -0.055 0.000 2.255 333 V HA -0.359 3.762 4.120 0.001 0.000 0.247 333 V C 2.776 178.879 176.094 0.015 0.000 1.051 333 V CA 1.918 64.279 62.300 0.103 0.000 1.018 333 V CB -1.448 30.483 31.823 0.180 0.000 0.641 333 V HN 0.630 nan 8.190 nan 0.000 0.445 334 A N -0.261 122.534 122.820 -0.041 0.000 1.902 334 A HA -0.239 4.082 4.320 0.001 0.000 0.217 334 A C 2.356 179.871 177.584 -0.115 0.000 1.181 334 A CA 1.964 53.944 52.037 -0.096 0.000 0.623 334 A CB -0.512 18.448 19.000 -0.066 0.000 0.818 334 A HN 0.538 nan 8.150 nan 0.000 0.443 335 R N -0.560 119.881 120.500 -0.099 0.000 2.081 335 R HA -0.023 4.317 4.340 0.001 0.000 0.235 335 R C 2.044 178.290 176.300 -0.090 0.000 1.131 335 R CA 1.477 57.517 56.100 -0.099 0.000 0.960 335 R CB -0.493 29.739 30.300 -0.114 0.000 0.856 335 R HN 0.509 nan 8.270 nan 0.000 0.436 336 L N 0.298 121.483 121.223 -0.064 0.000 2.093 336 L HA -0.170 4.170 4.340 0.001 0.000 0.208 336 L C 2.708 179.594 176.870 0.027 0.000 1.085 336 L CA 1.231 56.095 54.840 0.039 0.000 0.755 336 L CB -0.409 41.739 42.059 0.150 0.000 0.904 336 L HN 0.270 nan 8.230 nan 0.000 0.435 337 Q N 0.597 120.227 119.800 -0.283 0.000 2.124 337 Q HA -0.186 4.155 4.340 0.001 0.000 0.202 337 Q C 1.776 177.573 176.000 -0.338 0.000 0.977 337 Q CA 1.451 56.788 55.803 -0.776 0.000 0.850 337 Q CB 0.226 28.343 28.738 -1.035 0.000 0.901 337 Q HN 0.384 nan 8.270 nan 0.000 0.429 338 K N -0.234 120.043 120.400 -0.205 0.000 2.404 338 K HA 0.044 4.365 4.320 0.001 0.000 0.194 338 K C -0.312 176.242 176.600 -0.076 0.000 1.023 338 K CA 0.021 56.232 56.287 -0.126 0.000 1.094 338 K CB 0.672 33.110 32.500 -0.104 0.000 0.841 338 K HN -0.030 nan 8.250 nan 0.000 0.523 339 K N -0.319 120.044 120.400 -0.061 0.000 3.071 339 K HA -0.188 4.132 4.320 0.001 0.000 0.265 339 K C -0.338 176.241 176.600 -0.036 0.000 1.060 339 K CA 0.843 57.111 56.287 -0.032 0.000 0.767 339 K CB -2.564 29.926 32.500 -0.017 0.000 1.241 339 K HN 0.361 nan 8.250 nan 0.000 0.486 340 A N 0.481 123.272 122.820 -0.048 0.000 2.304 340 A HA 0.340 4.661 4.320 0.001 0.000 0.271 340 A C 0.369 177.928 177.584 -0.042 0.000 1.091 340 A CA -0.302 51.708 52.037 -0.044 0.000 0.812 340 A CB 0.480 19.450 19.000 -0.050 0.000 1.056 340 A HN 0.214 nan 8.150 nan 0.000 0.489 341 E N -0.092 120.089 120.200 -0.032 0.000 2.418 341 E HA 0.289 4.639 4.350 0.001 0.000 0.261 341 E C -0.136 176.442 176.600 -0.038 0.000 1.070 341 E CA -0.090 56.294 56.400 -0.028 0.000 0.931 341 E CB 0.651 30.343 29.700 -0.015 0.000 0.954 341 E HN 0.471 nan 8.360 nan 0.000 0.439 342 L N 2.136 123.335 121.223 -0.040 0.000 2.360 342 L HA 0.404 4.744 4.340 0.001 0.000 0.271 342 L C 0.706 177.569 176.870 -0.011 0.000 1.057 342 L CA -1.052 53.758 54.840 -0.051 0.000 0.803 342 L CB 0.837 42.850 42.059 -0.077 0.000 1.207 342 L HN 0.478 nan 8.230 nan 0.000 0.445 343 N N 1.726 120.429 118.700 0.005 0.000 2.479 343 N HA 0.168 4.909 4.740 0.001 0.000 0.257 343 N C -2.289 173.276 175.510 0.091 0.000 1.232 343 N CA -0.889 52.204 53.050 0.072 0.000 0.920 343 N CB 0.112 38.693 38.487 0.157 0.000 1.105 343 N HN 0.325 nan 8.380 nan 0.000 0.444 344 P HA 0.085 nan 4.420 nan 0.000 0.271 344 P C -0.461 176.978 177.300 0.232 0.000 1.218 344 P CA 0.004 63.182 63.100 0.129 0.000 0.780 344 P CB 0.610 32.368 31.700 0.096 0.000 0.901 345 Q N 1.402 121.322 119.800 0.199 0.000 2.259 345 Q HA 0.355 4.696 4.340 0.001 0.000 0.246 345 Q C 0.086 176.218 176.000 0.220 0.000 0.920 345 Q CA -0.242 55.734 55.803 0.289 0.000 0.895 345 Q CB 1.074 29.976 28.738 0.273 0.000 1.220 345 Q HN 0.279 nan 8.270 nan 0.000 0.439 346 R N 2.428 123.093 120.500 0.276 0.000 2.587 346 R HA 0.184 4.525 4.340 0.001 0.000 0.283 346 R C -1.863 174.272 176.300 -0.274 0.000 1.472 346 R CA -1.506 54.617 56.100 0.039 0.000 1.578 346 R CB 0.804 31.132 30.300 0.047 0.000 1.130 346 R HN 0.480 nan 8.270 nan 0.000 0.602 347 P HA -0.174 nan 4.420 nan 0.000 0.222 347 P C 0.568 177.417 177.300 -0.752 0.000 1.147 347 P CA 0.987 63.182 63.100 -1.508 0.000 0.790 347 P CB 0.493 31.655 31.700 -0.896 0.000 0.780 348 E N 0.463 120.463 120.200 -0.333 0.000 2.267 348 E HA -0.091 4.260 4.350 0.001 0.000 0.197 348 E C 1.479 178.034 176.600 -0.074 0.000 0.998 348 E CA 1.322 57.638 56.400 -0.141 0.000 0.830 348 E CB -0.376 29.277 29.700 -0.079 0.000 0.751 348 E HN 0.407 nan 8.360 nan 0.000 0.491 349 S N -0.587 115.067 115.700 -0.075 0.000 2.602 349 S HA 0.151 4.622 4.470 0.001 0.000 0.240 349 S C 1.215 175.901 174.600 0.144 0.000 0.992 349 S CA -0.541 57.682 58.200 0.037 0.000 0.971 349 S CB -0.217 63.011 63.200 0.047 0.000 0.855 349 S HN -0.060 nan 8.310 nan 0.000 0.481 350 F N 1.904 121.776 119.950 -0.130 0.000 2.134 350 F HA 0.175 4.703 4.527 0.002 0.000 0.299 350 F C 0.400 175.894 175.800 -0.510 0.000 1.097 350 F CA -0.282 57.488 58.000 -0.382 0.000 1.264 350 F CB -0.783 37.799 39.000 -0.696 0.000 1.001 350 F HN 0.278 nan 8.300 nan 0.000 0.479 351 Y N -0.514 119.911 120.300 0.208 0.000 2.341 351 Y HA 0.553 5.104 4.550 0.001 0.000 0.338 351 Y C 0.804 176.723 175.900 0.031 0.000 0.965 351 Y CA -0.908 57.251 58.100 0.097 0.000 1.108 351 Y CB 0.974 39.503 38.460 0.116 0.000 1.180 351 Y HN 0.263 nan 8.280 nan 0.000 0.458 352 G N 1.052 109.915 108.800 0.105 0.000 2.741 352 G HA2 0.323 4.283 3.960 0.001 0.000 0.222 352 G HA3 0.323 4.283 3.960 0.001 0.000 0.222 352 G C 0.238 175.112 174.900 -0.043 0.000 1.364 352 G CA -0.176 44.938 45.100 0.024 0.000 0.866 352 G HN 1.847 nan 8.290 nan 0.000 0.555 353 G N -1.890 106.884 108.800 -0.043 0.000 2.512 353 G HA2 0.495 4.456 3.960 0.001 0.000 0.240 353 G HA3 0.495 4.456 3.960 0.001 0.000 0.240 353 G C 1.258 176.099 174.900 -0.099 0.000 1.246 353 G CA 1.192 46.260 45.100 -0.053 0.000 0.919 353 G HN 2.773 nan 8.290 nan 0.000 0.577 354 G N -2.615 106.136 108.800 -0.083 0.000 3.214 354 G HA2 0.747 4.707 3.960 0.001 0.000 0.188 354 G HA3 0.747 4.707 3.960 0.001 0.000 0.188 354 G C 1.314 176.205 174.900 -0.015 0.000 1.126 354 G CA 1.420 46.478 45.100 -0.071 0.000 0.796 354 G HN 1.951 nan 8.290 nan 0.000 0.631 355 A N -0.645 122.206 122.820 0.052 0.000 1.933 355 A HA 0.114 4.435 4.320 0.001 0.000 0.218 355 A C 1.239 178.888 177.584 0.109 0.000 1.175 355 A CA 1.622 53.736 52.037 0.128 0.000 0.628 355 A CB -0.592 18.458 19.000 0.083 0.000 0.814 355 A HN 0.554 nan 8.150 nan 0.000 0.444 356 E N -0.583 119.642 120.200 0.042 0.000 2.417 356 E HA 0.327 4.678 4.350 0.001 0.000 0.261 356 E C 1.008 177.618 176.600 0.017 0.000 1.000 356 E CA 0.502 56.903 56.400 0.002 0.000 0.919 356 E CB -0.075 29.614 29.700 -0.018 0.000 0.955 356 E HN 0.729 nan 8.360 nan 0.000 0.455 357 G N 3.437 112.203 108.800 -0.056 0.000 2.153 357 G HA2 -0.328 3.632 3.960 0.001 0.000 0.252 357 G HA3 -0.328 3.632 3.960 0.001 0.000 0.252 357 G C -0.059 175.028 174.900 0.311 0.000 0.994 357 G CA 0.702 45.796 45.100 -0.011 0.000 0.698 357 G HN 0.664 nan 8.290 nan 0.000 0.521 358 Y N -0.302 120.059 120.300 0.101 0.000 3.208 358 Y HA 0.225 4.776 4.550 0.002 0.000 0.205 358 Y C 2.426 178.477 175.900 0.251 0.000 0.923 358 Y CA 2.029 60.205 58.100 0.126 0.000 1.596 358 Y CB 0.082 38.511 38.460 -0.052 0.000 1.478 358 Y HN 0.432 nan 8.280 nan 0.000 0.409 359 T N -1.783 112.855 114.554 0.140 0.000 3.092 359 T HA 0.135 4.486 4.350 0.001 0.000 0.258 359 T C 0.416 175.167 174.700 0.085 0.000 1.031 359 T CA 0.479 62.620 62.100 0.068 0.000 0.925 359 T CB -0.096 68.799 68.868 0.046 0.000 1.036 359 T HN 0.433 nan 8.240 nan 0.000 0.544 360 D N -0.256 120.184 120.400 0.067 0.000 2.363 360 D HA 0.030 4.670 4.640 0.001 0.000 0.214 360 D C -0.369 175.920 176.300 -0.019 0.000 1.093 360 D CA -0.609 53.389 54.000 -0.003 0.000 0.837 360 D CB -0.666 40.099 40.800 -0.059 0.000 0.948 360 D HN 0.414 nan 8.370 nan 0.000 0.507 361 Y N 2.334 122.659 120.300 0.042 0.000 2.436 361 Y HA 0.281 4.831 4.550 0.001 0.000 0.336 361 Y C -1.676 174.233 175.900 0.014 0.000 1.049 361 Y CA -1.783 56.337 58.100 0.033 0.000 1.294 361 Y CB 0.558 39.045 38.460 0.045 0.000 1.179 361 Y HN -0.042 nan 8.280 nan 0.000 0.520 362 P HA 0.128 nan 4.420 nan 0.000 0.277 362 P C -0.617 176.719 177.300 0.060 0.000 1.240 362 P CA -0.540 62.608 63.100 0.080 0.000 0.798 362 P CB 1.439 33.170 31.700 0.052 0.000 0.979 363 S N 2.072 117.792 115.700 0.033 0.000 2.632 363 S HA 0.340 4.811 4.470 0.001 0.000 0.267 363 S C 0.798 175.401 174.600 0.005 0.000 1.276 363 S CA -0.758 57.449 58.200 0.011 0.000 0.998 363 S CB -0.025 63.178 63.200 0.006 0.000 0.953 363 S HN 0.317 nan 8.310 nan 0.000 0.547 364 L N 0.000 121.218 121.223 -0.009 0.000 2.949 364 L HA 0.000 4.341 4.340 0.001 0.000 0.249 364 L CA 0.000 54.833 54.840 -0.012 0.000 0.813 364 L CB 0.000 42.044 42.059 -0.024 0.000 0.961 364 L HN 0.000 nan 8.230 nan 0.000 0.502