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 7aat_1_B DATA FIRST_RESID 3 DATA SEQUENCE SSWWSHVEMG PPDPILGVTE AFKRDTNSKK MNLGVGAYRD DNGKPYVLNC DATA SEQUENCE VRKAEAMIAA KKXMDKEYLP IAGLADFTRA SAELALGENS EAFKSGRYVT DATA SEQUENCE VQGISGTGSL RVGANFLQRF FKFSXXRDXX VYLPKPSWGN HTPIFRDAGL DATA SEQUENCE XQLQAYRYYD PKTCSLDFTG AMEDISKIPE KSIILLHACA HNPTGVDPRQ DATA SEQUENCE EQWKELASVV KKRNLLAYFD MAYQGFASGD INRDAWALRH FIEQGIDVVL DATA SEQUENCE SQSYAKNMGL YGERAGAFTV ICRDAEEAKR VESQLKILIR PMYSNPPMNG DATA SEQUENCE ARIASLILNT PELRKEWLVE VKGMADRIIS MRTQLVSNLK KEGSSHNWQH DATA SEQUENCE ITDQIGMFCF TGLKPEQVER LTKEFSIYMT KDGRISVAGV ASSNVGYLAH DATA SEQUENCE AIHQXVTK 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 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.010 174.600 -0.984 0.000 1.055 3 S CA 0.000 57.672 58.200 -0.879 0.000 1.107 3 S CB 0.000 62.967 63.200 -0.388 0.000 0.593 4 S N 0.028 115.406 115.700 -0.537 0.000 3.533 4 S HA -0.242 4.233 4.470 0.009 0.000 0.347 4 S C 0.554 174.953 174.600 -0.334 0.000 1.101 4 S CA 1.645 59.650 58.200 -0.325 0.000 1.009 4 S CB -2.534 60.516 63.200 -0.251 0.000 0.916 4 S HN 0.662 nan 8.310 nan 0.000 0.496 5 W N -0.053 120.986 121.300 -0.436 0.000 2.363 5 W HA 0.177 4.843 4.660 0.009 0.000 0.296 5 W C 1.867 177.979 176.519 -0.679 0.000 1.212 5 W CA 0.747 57.593 57.345 -0.832 0.000 1.260 5 W CB -0.397 28.124 29.460 -1.564 0.000 1.131 5 W HN 0.673 nan 8.180 nan 0.000 0.530 6 W N 0.109 121.590 121.300 0.302 0.000 3.102 6 W HA 0.172 4.835 4.660 0.006 0.000 0.401 6 W C 2.179 178.707 176.519 0.015 0.000 1.070 6 W CA 0.273 57.683 57.345 0.108 0.000 1.921 6 W CB -0.719 28.774 29.460 0.055 0.000 1.118 6 W HN -0.225 nan 8.180 nan 0.000 0.647 7 S N 0.558 116.397 115.700 0.232 0.000 2.400 7 S HA -0.311 4.165 4.470 0.009 0.000 0.232 7 S C 1.686 176.374 174.600 0.146 0.000 1.025 7 S CA 1.758 60.050 58.200 0.154 0.000 0.993 7 S CB -0.893 62.365 63.200 0.096 0.000 0.808 7 S HN 0.564 nan 8.310 nan 0.000 0.478 8 H N 0.396 119.534 119.070 0.114 0.000 2.547 8 H HA 0.329 4.890 4.556 0.009 0.000 0.266 8 H C 0.120 175.517 175.328 0.115 0.000 0.988 8 H CA -0.007 56.100 56.048 0.098 0.000 1.147 8 H CB -0.863 28.953 29.762 0.090 0.000 1.365 8 H HN 0.286 nan 8.280 nan 0.000 0.589 9 V N 2.967 122.679 119.914 -0.337 0.000 2.427 9 V HA 0.048 4.174 4.120 0.009 0.000 0.268 9 V C 0.346 176.400 176.094 -0.066 0.000 1.046 9 V CA -0.028 62.138 62.300 -0.224 0.000 0.970 9 V CB 1.113 32.834 31.823 -0.171 0.000 1.001 9 V HN 0.223 nan 8.190 nan 0.000 0.476 10 E N 3.137 123.316 120.200 -0.035 0.000 2.250 10 E HA 0.434 4.790 4.350 0.009 0.000 0.269 10 E C -0.135 176.454 176.600 -0.017 0.000 1.018 10 E CA -1.181 55.214 56.400 -0.010 0.000 0.873 10 E CB 1.371 31.076 29.700 0.009 0.000 1.134 10 E HN 0.591 nan 8.360 nan 0.000 0.403 11 M N 1.537 121.132 119.600 -0.009 0.000 2.269 11 M HA 0.247 4.732 4.480 0.009 0.000 0.350 11 M C 0.306 176.598 176.300 -0.012 0.000 1.429 11 M CA 0.301 55.593 55.300 -0.012 0.000 1.063 11 M CB 0.296 32.893 32.600 -0.006 0.000 1.841 11 M HN 0.399 nan 8.290 nan 0.000 0.455 12 G N 5.390 114.178 108.800 -0.019 0.000 2.537 12 G HA2 0.560 4.525 3.960 0.009 0.000 0.273 12 G HA3 0.560 4.525 3.960 0.009 0.000 0.273 12 G C -2.574 172.318 174.900 -0.014 0.000 1.189 12 G CA -1.234 43.855 45.100 -0.019 0.000 0.881 12 G HN 0.627 nan 8.290 nan 0.000 0.535 13 P HA 0.213 nan 4.420 nan 0.000 0.268 13 P C -1.992 175.302 177.300 -0.011 0.000 1.204 13 P CA -0.689 62.405 63.100 -0.010 0.000 0.768 13 P CB 0.239 31.932 31.700 -0.011 0.000 0.842 14 P HA 0.184 nan 4.420 nan 0.000 0.275 14 P C -0.825 176.474 177.300 -0.002 0.000 1.227 14 P CA -0.132 62.967 63.100 -0.003 0.000 0.781 14 P CB 0.722 32.424 31.700 0.002 0.000 0.906 15 D N 2.866 123.265 120.400 -0.002 0.000 2.277 15 D HA 0.153 4.798 4.640 0.009 0.000 0.249 15 D C -1.413 174.894 176.300 0.012 0.000 1.134 15 D CA -1.853 52.148 54.000 0.001 0.000 0.863 15 D CB 0.975 41.775 40.800 -0.001 0.000 1.143 15 D HN 0.128 nan 8.370 nan 0.000 0.458 16 P HA -0.124 nan 4.420 nan 0.000 0.214 16 P C 1.492 178.814 177.300 0.037 0.000 1.162 16 P CA 0.586 63.702 63.100 0.027 0.000 0.874 16 P CB 0.121 31.836 31.700 0.025 0.000 0.784 17 I N -0.498 120.094 120.570 0.038 0.000 2.145 17 I HA -0.241 3.934 4.170 0.009 0.000 0.244 17 I C 2.484 178.628 176.117 0.045 0.000 1.075 17 I CA 1.529 62.859 61.300 0.051 0.000 1.332 17 I CB -1.711 36.325 38.000 0.060 0.000 1.033 17 I HN -0.007 nan 8.210 nan 0.000 0.410 18 L N 1.059 122.302 121.223 0.034 0.000 2.012 18 L HA -0.178 4.167 4.340 0.009 0.000 0.210 18 L C 2.542 179.427 176.870 0.025 0.000 1.073 18 L CA 2.168 57.025 54.840 0.027 0.000 0.748 18 L CB -0.845 41.225 42.059 0.018 0.000 0.891 18 L HN 0.310 nan 8.230 nan 0.000 0.431 19 G N -0.727 108.089 108.800 0.027 0.000 2.450 19 G HA2 -0.259 3.707 3.960 0.009 0.000 0.220 19 G HA3 -0.259 3.707 3.960 0.009 0.000 0.220 19 G C 1.595 176.513 174.900 0.031 0.000 1.130 19 G CA 1.129 46.244 45.100 0.026 0.000 0.760 19 G HN 0.480 nan 8.290 nan 0.000 0.557 20 V N -0.031 119.915 119.914 0.053 0.000 2.591 20 V HA -0.073 4.053 4.120 0.009 0.000 0.249 20 V C 2.844 178.952 176.094 0.023 0.000 1.053 20 V CA 2.493 64.840 62.300 0.078 0.000 1.068 20 V CB -1.032 30.875 31.823 0.140 0.000 0.689 20 V HN 0.440 nan 8.190 nan 0.000 0.462 21 T N -1.484 113.093 114.554 0.038 0.000 2.770 21 T HA -0.202 4.154 4.350 0.009 0.000 0.263 21 T C 1.923 176.674 174.700 0.087 0.000 1.039 21 T CA 1.694 63.836 62.100 0.069 0.000 1.142 21 T CB -0.619 68.273 68.868 0.040 0.000 0.868 21 T HN 0.674 nan 8.240 nan 0.000 0.435 22 E N 1.560 121.773 120.200 0.021 0.000 2.058 22 E HA -0.119 4.237 4.350 0.009 0.000 0.194 22 E C 2.432 178.986 176.600 -0.078 0.000 0.997 22 E CA 1.153 57.545 56.400 -0.013 0.000 0.801 22 E CB -0.484 29.210 29.700 -0.011 0.000 0.746 22 E HN 0.653 nan 8.360 nan 0.000 0.450 23 A N 0.357 123.106 122.820 -0.119 0.000 2.015 23 A HA -0.132 4.194 4.320 0.009 0.000 0.219 23 A C 1.921 179.179 177.584 -0.543 0.000 1.163 23 A CA 1.046 52.949 52.037 -0.224 0.000 0.646 23 A CB -0.744 18.169 19.000 -0.144 0.000 0.806 23 A HN 0.540 nan 8.150 nan 0.000 0.448 24 F N 0.741 120.233 119.950 -0.763 0.000 2.146 24 F HA -0.083 4.450 4.527 0.009 0.000 0.298 24 F C 1.944 177.541 175.800 -0.339 0.000 1.096 24 F CA 2.016 59.487 58.000 -0.882 0.000 1.275 24 F CB -0.230 38.477 39.000 -0.487 0.000 1.008 24 F HN 0.088 nan 8.300 nan 0.000 0.480 25 K N 0.178 120.301 120.400 -0.463 0.000 2.063 25 K HA -0.199 4.126 4.320 0.009 0.000 0.208 25 K C 1.845 178.247 176.600 -0.330 0.000 1.048 25 K CA 1.539 57.597 56.287 -0.380 0.000 0.928 25 K CB -0.272 32.164 32.500 -0.108 0.000 0.713 25 K HN 0.029 nan 8.250 nan 0.000 0.442 26 R N 1.352 121.702 120.500 -0.250 0.000 2.391 26 R HA 0.010 4.356 4.340 0.009 0.000 0.225 26 R C -0.835 175.372 176.300 -0.155 0.000 1.079 26 R CA 0.307 56.310 56.100 -0.162 0.000 1.147 26 R CB -0.518 29.718 30.300 -0.106 0.000 1.103 26 R HN 0.048 nan 8.270 nan 0.000 0.499 27 D N -1.819 118.438 120.400 -0.239 0.000 2.185 27 D HA 0.084 4.729 4.640 0.009 0.000 0.247 27 D C -0.176 176.043 176.300 -0.135 0.000 1.027 27 D CA -0.117 53.798 54.000 -0.142 0.000 0.861 27 D CB 2.224 42.994 40.800 -0.049 0.000 1.202 27 D HN 0.012 nan 8.370 nan 0.000 0.453 28 T N 2.083 116.601 114.554 -0.059 0.000 3.044 28 T HA 0.009 4.365 4.350 0.009 0.000 0.250 28 T C 0.680 175.361 174.700 -0.032 0.000 1.081 28 T CA -0.225 61.845 62.100 -0.050 0.000 1.040 28 T CB -0.094 68.754 68.868 -0.033 0.000 0.962 28 T HN 0.266 nan 8.240 nan 0.000 0.506 29 N N 1.449 120.145 118.700 -0.007 0.000 2.447 29 N HA 0.062 4.808 4.740 0.009 0.000 0.263 29 N C 0.982 176.488 175.510 -0.007 0.000 1.226 29 N CA 0.261 53.316 53.050 0.009 0.000 0.906 29 N CB 1.263 39.785 38.487 0.059 0.000 1.060 29 N HN 0.052 nan 8.380 nan 0.000 0.468 30 S N 2.703 118.386 115.700 -0.027 0.000 2.461 30 S HA 0.035 4.510 4.470 0.009 0.000 0.228 30 S C 1.490 176.063 174.600 -0.045 0.000 1.005 30 S CA 0.633 58.813 58.200 -0.033 0.000 0.942 30 S CB 0.146 63.322 63.200 -0.041 0.000 0.776 30 S HN 0.450 nan 8.310 nan 0.000 0.514 31 K N 2.150 122.495 120.400 -0.092 0.000 2.155 31 K HA -0.016 4.310 4.320 0.009 0.000 0.203 31 K C 0.727 177.310 176.600 -0.028 0.000 1.052 31 K CA 0.402 56.546 56.287 -0.239 0.000 0.948 31 K CB -0.578 31.697 32.500 -0.375 0.000 0.728 31 K HN 0.640 nan 8.250 nan 0.000 0.448 32 K N 2.058 122.540 120.400 0.135 0.000 2.611 32 K HA -0.094 4.231 4.320 0.009 0.000 0.280 32 K C 0.297 177.163 176.600 0.442 0.000 0.964 32 K CA 0.677 57.162 56.287 0.330 0.000 1.029 32 K CB 0.036 32.731 32.500 0.325 0.000 0.862 32 K HN 0.048 nan 8.250 nan 0.000 0.501 33 M N 0.880 120.787 119.600 0.511 0.000 2.446 33 M HA 0.333 4.819 4.480 0.009 0.000 0.294 33 M C -1.570 174.843 176.300 0.189 0.000 1.158 33 M CA -0.910 54.584 55.300 0.324 0.000 0.899 33 M CB 2.170 34.890 32.600 0.199 0.000 1.687 33 M HN 0.567 nan 8.290 nan 0.000 0.455 34 N N 3.627 122.141 118.700 -0.311 0.000 2.546 34 N HA 0.424 5.170 4.740 0.009 0.000 0.238 34 N C -0.777 174.604 175.510 -0.214 0.000 0.984 34 N CA -0.462 52.250 53.050 -0.563 0.000 0.935 34 N CB 0.707 38.389 38.487 -1.342 0.000 1.122 34 N HN 0.938 nan 8.380 nan 0.000 0.510 35 L N 1.828 123.020 121.223 -0.051 0.000 2.741 35 L HA 0.358 4.703 4.340 0.009 0.000 0.237 35 L C 1.512 178.409 176.870 0.046 0.000 1.178 35 L CA -0.081 54.757 54.840 -0.003 0.000 0.973 35 L CB 0.506 42.576 42.059 0.018 0.000 1.255 35 L HN 0.529 nan 8.230 nan 0.000 0.498 36 G N -0.396 108.419 108.800 0.026 0.000 3.159 36 G HA2 0.164 4.130 3.960 0.009 0.000 0.232 36 G HA3 0.164 4.130 3.960 0.009 0.000 0.232 36 G C 0.502 175.451 174.900 0.082 0.000 1.116 36 G CA -0.014 45.134 45.100 0.079 0.000 0.767 36 G HN 0.056 nan 8.290 nan 0.000 0.547 37 V N 1.650 121.575 119.914 0.018 0.000 2.485 37 V HA 0.344 4.470 4.120 0.009 0.000 0.287 37 V C 1.570 177.711 176.094 0.079 0.000 1.022 37 V CA 0.715 63.015 62.300 0.000 0.000 1.067 37 V CB 1.102 32.876 31.823 -0.082 0.000 0.967 37 V HN 0.183 nan 8.190 nan 0.000 0.479 38 G N 3.217 112.085 108.800 0.113 0.000 3.233 38 G HA2 0.501 4.466 3.960 0.009 0.000 0.227 38 G HA3 0.501 4.466 3.960 0.009 0.000 0.227 38 G C 0.341 175.299 174.900 0.097 0.000 1.175 38 G CA 0.659 45.886 45.100 0.211 0.000 0.781 38 G HN 0.976 nan 8.290 nan 0.000 0.542 39 A N -0.619 122.184 122.820 -0.028 0.000 2.469 39 A HA 0.654 4.979 4.320 0.009 0.000 0.299 39 A C -1.253 176.353 177.584 0.036 0.000 1.098 39 A CA -0.903 51.065 52.037 -0.115 0.000 0.737 39 A CB 1.251 19.883 19.000 -0.613 0.000 1.312 39 A HN 0.204 nan 8.150 nan 0.000 0.414 40 Y N 1.517 121.884 120.300 0.112 0.000 2.480 40 Y HA 0.485 5.040 4.550 0.009 0.000 0.338 40 Y C 0.291 176.268 175.900 0.129 0.000 1.220 40 Y CA 0.606 58.838 58.100 0.220 0.000 1.430 40 Y CB 0.529 39.266 38.460 0.461 0.000 1.311 40 Y HN 0.585 nan 8.280 nan 0.000 0.575 41 R N 4.209 124.267 120.500 -0.737 0.000 2.673 41 R HA 0.206 4.552 4.340 0.009 0.000 0.281 41 R C -0.867 174.928 176.300 -0.841 0.000 0.991 41 R CA -0.888 54.900 56.100 -0.521 0.000 0.896 41 R CB 1.405 31.540 30.300 -0.275 0.000 1.201 41 R HN 0.884 nan 8.270 nan 0.000 0.457 42 D N -0.274 119.899 120.400 -0.379 0.000 2.414 42 D HA -0.017 4.628 4.640 0.009 0.000 0.259 42 D C 0.428 176.613 176.300 -0.192 0.000 1.269 42 D CA -0.334 53.516 54.000 -0.250 0.000 1.028 42 D CB 0.447 41.188 40.800 -0.098 0.000 1.093 42 D HN 0.427 nan 8.370 nan 0.000 0.545 43 D N -1.946 118.383 120.400 -0.117 0.000 2.309 43 D HA -0.088 4.558 4.640 0.009 0.000 0.212 43 D C 0.768 177.032 176.300 -0.059 0.000 0.968 43 D CA 0.936 54.888 54.000 -0.081 0.000 0.882 43 D CB -0.156 40.610 40.800 -0.057 0.000 0.918 43 D HN 0.416 nan 8.370 nan 0.000 0.503 44 N N -1.279 117.390 118.700 -0.051 0.000 2.280 44 N HA 0.186 4.932 4.740 0.009 0.000 0.192 44 N C 0.851 176.345 175.510 -0.027 0.000 1.109 44 N CA 0.362 53.396 53.050 -0.026 0.000 0.855 44 N CB 1.074 39.557 38.487 -0.008 0.000 0.974 44 N HN 0.099 nan 8.380 nan 0.000 0.482 45 G N 1.034 109.799 108.800 -0.058 0.000 2.147 45 G HA2 -0.299 3.667 3.960 0.009 0.000 0.244 45 G HA3 -0.299 3.667 3.960 0.009 0.000 0.244 45 G C -0.226 174.650 174.900 -0.041 0.000 1.005 45 G CA 0.107 45.171 45.100 -0.061 0.000 0.713 45 G HN 0.261 nan 8.290 nan 0.000 0.515 46 K N 0.292 120.675 120.400 -0.028 0.000 2.203 46 K HA 0.565 4.891 4.320 0.009 0.000 0.251 46 K C -2.555 174.074 176.600 0.050 0.000 0.944 46 K CA -2.366 53.930 56.287 0.016 0.000 0.829 46 K CB 1.881 34.408 32.500 0.045 0.000 1.125 46 K HN -0.070 nan 8.250 nan 0.000 0.430 47 P HA -0.114 nan 4.420 nan 0.000 0.266 47 P C -1.472 175.981 177.300 0.255 0.000 1.195 47 P CA 0.200 63.373 63.100 0.122 0.000 0.768 47 P CB 0.225 31.968 31.700 0.071 0.000 0.838 48 Y N 3.771 124.193 120.300 0.203 0.000 2.345 48 Y HA 0.418 4.974 4.550 0.010 0.000 0.331 48 Y C -1.116 174.915 175.900 0.219 0.000 0.959 48 Y CA -1.154 57.087 58.100 0.235 0.000 1.204 48 Y CB 0.913 39.604 38.460 0.386 0.000 1.135 48 Y HN 0.031 nan 8.280 nan 0.000 0.477 49 V N 7.835 127.657 119.914 -0.153 0.000 2.383 49 V HA 0.207 4.333 4.120 0.009 0.000 0.275 49 V C 0.019 175.790 176.094 -0.538 0.000 1.036 49 V CA -0.819 61.340 62.300 -0.234 0.000 0.889 49 V CB 0.714 32.498 31.823 -0.066 0.000 0.985 49 V HN 0.612 nan 8.190 nan 0.000 0.459 50 L N 4.869 125.759 121.223 -0.555 0.000 2.499 50 L HA 0.128 4.474 4.340 0.009 0.000 0.281 50 L C 1.765 178.540 176.870 -0.158 0.000 1.234 50 L CA 0.730 55.307 54.840 -0.438 0.000 0.839 50 L CB 0.058 42.031 42.059 -0.143 0.000 1.104 50 L HN 0.561 nan 8.230 nan 0.000 0.500 51 N N 0.844 119.523 118.700 -0.034 0.000 2.188 51 N HA -0.142 4.603 4.740 0.009 0.000 0.184 51 N C 1.764 177.288 175.510 0.023 0.000 1.018 51 N CA 1.642 54.707 53.050 0.025 0.000 0.858 51 N CB -0.308 38.224 38.487 0.074 0.000 0.989 51 N HN 0.912 nan 8.380 nan 0.000 0.426 52 C N -0.321 119.006 119.300 0.045 0.000 2.419 52 C HA 0.094 4.560 4.460 0.009 0.000 0.281 52 C C 2.702 177.688 174.990 -0.007 0.000 1.336 52 C CA -0.156 58.889 59.018 0.045 0.000 1.770 52 C CB -1.252 26.554 27.740 0.109 0.000 1.929 52 C HN 0.070 nan 8.230 nan 0.000 0.509 53 V N 1.522 121.417 119.914 -0.032 0.000 2.307 53 V HA -0.122 4.003 4.120 0.009 0.000 0.245 53 V C 3.098 179.164 176.094 -0.048 0.000 1.045 53 V CA 1.879 64.141 62.300 -0.063 0.000 1.024 53 V CB -0.649 31.124 31.823 -0.083 0.000 0.651 53 V HN 0.445 nan 8.190 nan 0.000 0.449 54 R N 0.495 120.974 120.500 -0.035 0.000 2.096 54 R HA -0.107 4.238 4.340 0.009 0.000 0.235 54 R C 2.214 178.505 176.300 -0.015 0.000 1.127 54 R CA 1.214 57.301 56.100 -0.022 0.000 0.968 54 R CB -0.556 29.738 30.300 -0.009 0.000 0.861 54 R HN 0.540 nan 8.270 nan 0.000 0.440 55 K N 0.282 120.676 120.400 -0.010 0.000 2.057 55 K HA -0.020 4.306 4.320 0.009 0.000 0.206 55 K C 2.151 178.741 176.600 -0.016 0.000 1.050 55 K CA 1.364 57.648 56.287 -0.005 0.000 0.935 55 K CB -0.163 32.341 32.500 0.006 0.000 0.715 55 K HN 0.102 nan 8.250 nan 0.000 0.439 56 A N 1.900 124.703 122.820 -0.029 0.000 1.902 56 A HA -0.207 4.118 4.320 0.009 0.000 0.217 56 A C 1.906 179.465 177.584 -0.041 0.000 1.181 56 A CA 1.497 53.509 52.037 -0.042 0.000 0.623 56 A CB -0.387 18.573 19.000 -0.067 0.000 0.818 56 A HN 0.304 nan 8.150 nan 0.000 0.443 57 E N -0.276 119.899 120.200 -0.040 0.000 2.153 57 E HA -0.099 4.257 4.350 0.009 0.000 0.194 57 E C 2.208 178.793 176.600 -0.026 0.000 0.988 57 E CA 0.875 57.253 56.400 -0.036 0.000 0.811 57 E CB -0.253 29.427 29.700 -0.033 0.000 0.746 57 E HN 0.636 nan 8.360 nan 0.000 0.466 58 A N 0.760 123.568 122.820 -0.020 0.000 1.968 58 A HA -0.107 4.218 4.320 0.009 0.000 0.217 58 A C 2.087 179.663 177.584 -0.014 0.000 1.169 58 A CA 0.949 52.978 52.037 -0.013 0.000 0.638 58 A CB -0.282 18.713 19.000 -0.008 0.000 0.812 58 A HN 0.113 nan 8.150 nan 0.000 0.446 59 M N -0.792 118.798 119.600 -0.017 0.000 2.132 59 M HA -0.014 4.471 4.480 0.009 0.000 0.263 59 M C 1.993 178.282 176.300 -0.019 0.000 1.065 59 M CA 1.348 56.639 55.300 -0.016 0.000 1.122 59 M CB -0.393 32.197 32.600 -0.016 0.000 1.365 59 M HN 0.372 nan 8.290 nan 0.000 0.411 60 I N 0.035 120.590 120.570 -0.026 0.000 2.202 60 I HA -0.250 3.925 4.170 0.009 0.000 0.242 60 I C 2.710 178.813 176.117 -0.024 0.000 1.091 60 I CA 1.219 62.502 61.300 -0.028 0.000 1.368 60 I CB -0.528 37.449 38.000 -0.038 0.000 1.058 60 I HN 0.246 nan 8.210 nan 0.000 0.410 61 A N 0.794 123.601 122.820 -0.022 0.000 1.892 61 A HA -0.259 4.067 4.320 0.009 0.000 0.218 61 A C 2.529 180.104 177.584 -0.015 0.000 1.188 61 A CA 2.141 54.167 52.037 -0.018 0.000 0.631 61 A CB -1.013 17.977 19.000 -0.016 0.000 0.822 61 A HN 0.453 nan 8.150 nan 0.000 0.447 62 A N -0.509 122.304 122.820 -0.013 0.000 1.978 62 A HA -0.177 4.149 4.320 0.009 0.000 0.220 62 A C 2.063 179.641 177.584 -0.011 0.000 1.170 62 A CA 1.865 53.896 52.037 -0.010 0.000 0.636 62 A CB -0.403 18.592 19.000 -0.008 0.000 0.810 62 A HN 0.570 nan 8.150 nan 0.000 0.448 63 K N -0.810 119.582 120.400 -0.013 0.000 2.366 63 K HA -0.007 4.319 4.320 0.009 0.000 0.198 63 K C -0.084 176.508 176.600 -0.013 0.000 1.044 63 K CA 0.261 56.541 56.287 -0.012 0.000 0.973 63 K CB 0.023 32.514 32.500 -0.014 0.000 0.767 63 K HN 0.232 nan 8.250 nan 0.000 0.475 67 D N 1.232 121.616 120.400 -0.027 0.000 2.414 67 D HA 0.297 4.943 4.640 0.009 0.000 0.251 67 D C -0.292 175.984 176.300 -0.040 0.000 1.252 67 D CA -0.197 53.782 54.000 -0.034 0.000 0.999 67 D CB 0.819 41.599 40.800 -0.034 0.000 1.093 67 D HN 0.563 nan 8.370 nan 0.000 0.515 68 K N -0.536 119.832 120.400 -0.055 0.000 2.646 68 K HA 0.127 4.453 4.320 0.009 0.000 0.206 68 K C -0.417 176.126 176.600 -0.096 0.000 1.069 68 K CA -0.528 55.721 56.287 -0.063 0.000 1.067 68 K CB 0.647 33.109 32.500 -0.064 0.000 0.807 68 K HN 0.366 nan 8.250 nan 0.000 0.482 69 E N 0.828 120.976 120.200 -0.087 0.000 2.398 69 E HA 0.011 4.367 4.350 0.009 0.000 0.263 69 E C -0.086 176.492 176.600 -0.037 0.000 1.046 69 E CA 0.085 56.415 56.400 -0.116 0.000 0.908 69 E CB 0.290 29.954 29.700 -0.060 0.000 0.963 69 E HN 0.021 nan 8.360 nan 0.000 0.431 70 Y N 0.912 121.213 120.300 0.001 0.000 2.805 70 Y HA -0.110 4.443 4.550 0.006 0.000 0.337 70 Y C 1.117 177.021 175.900 0.007 0.000 1.252 70 Y CA 0.410 58.514 58.100 0.007 0.000 1.515 70 Y CB -0.044 38.422 38.460 0.011 0.000 1.305 70 Y HN 0.267 nan 8.280 nan 0.000 0.600 71 L N 5.407 126.748 121.223 0.197 0.000 2.421 71 L HA 0.332 4.677 4.340 0.009 0.000 0.263 71 L C -1.897 175.029 176.870 0.093 0.000 1.122 71 L CA -2.018 52.886 54.840 0.108 0.000 0.804 71 L CB 0.643 42.748 42.059 0.075 0.000 1.150 71 L HN 0.431 nan 8.230 nan 0.000 0.457 72 P HA 0.067 nan 4.420 nan 0.000 0.269 72 P C 0.885 178.205 177.300 0.033 0.000 1.217 72 P CA -0.070 63.054 63.100 0.041 0.000 0.783 72 P CB 0.599 32.324 31.700 0.040 0.000 0.898 73 I N 0.906 121.476 120.570 0.001 0.000 2.145 73 I HA -0.340 3.836 4.170 0.009 0.000 0.244 73 I C 2.094 178.232 176.117 0.035 0.000 1.075 73 I CA 2.246 63.537 61.300 -0.015 0.000 1.332 73 I CB -0.801 37.169 38.000 -0.051 0.000 1.033 73 I HN 0.365 nan 8.210 nan 0.000 0.410 74 A N 0.257 123.104 122.820 0.046 0.000 2.168 74 A HA 0.323 4.648 4.320 0.009 0.000 0.215 74 A C 1.319 178.975 177.584 0.120 0.000 1.152 74 A CA 1.019 53.103 52.037 0.078 0.000 0.716 74 A CB -0.835 18.198 19.000 0.056 0.000 0.794 74 A HN 0.650 nan 8.150 nan 0.000 0.465 75 G N -1.768 107.098 108.800 0.109 0.000 2.610 75 G HA2 0.094 4.060 3.960 0.009 0.000 0.304 75 G HA3 0.094 4.060 3.960 0.009 0.000 0.304 75 G C -0.499 174.469 174.900 0.114 0.000 1.309 75 G CA -0.355 44.817 45.100 0.120 0.000 0.906 75 G HN 1.144 nan 8.290 nan 0.000 0.521 76 L N 1.393 122.686 121.223 0.117 0.000 2.500 76 L HA 0.614 4.960 4.340 0.009 0.000 0.272 76 L C 1.981 178.951 176.870 0.165 0.000 1.149 76 L CA 1.427 56.335 54.840 0.113 0.000 0.897 76 L CB 0.492 42.593 42.059 0.070 0.000 1.178 76 L HN 1.759 nan 8.230 nan 0.000 0.473 77 A N 3.556 126.441 122.820 0.109 0.000 1.940 77 A HA -0.168 4.158 4.320 0.009 0.000 0.219 77 A C 1.740 179.383 177.584 0.098 0.000 1.176 77 A CA 1.863 53.956 52.037 0.095 0.000 0.631 77 A CB -0.504 18.532 19.000 0.060 0.000 0.814 77 A HN 0.860 nan 8.150 nan 0.000 0.446 78 D N -1.354 119.102 120.400 0.094 0.000 2.178 78 D HA -0.113 4.533 4.640 0.009 0.000 0.202 78 D C 1.602 177.953 176.300 0.084 0.000 0.974 78 D CA 1.215 55.260 54.000 0.076 0.000 0.841 78 D CB -0.298 40.536 40.800 0.056 0.000 0.953 78 D HN 0.557 nan 8.370 nan 0.000 0.478 79 F N 2.044 121.979 119.950 -0.025 0.000 2.098 79 F HA -0.204 4.329 4.527 0.010 0.000 0.294 79 F C 2.612 178.409 175.800 -0.004 0.000 1.107 79 F CA 2.151 60.117 58.000 -0.057 0.000 1.234 79 F CB -0.627 38.321 39.000 -0.087 0.000 1.002 79 F HN -0.070 nan 8.300 nan 0.000 0.472 80 T N -1.018 113.508 114.554 -0.048 0.000 2.788 80 T HA -0.226 4.129 4.350 0.009 0.000 0.268 80 T C 2.237 176.912 174.700 -0.042 0.000 1.044 80 T CA 1.469 63.518 62.100 -0.085 0.000 1.139 80 T CB -0.712 68.224 68.868 0.113 0.000 0.867 80 T HN 0.397 nan 8.240 nan 0.000 0.454 81 R N 1.319 121.845 120.500 0.042 0.000 2.070 81 R HA 0.061 4.407 4.340 0.009 0.000 0.233 81 R C 2.796 179.128 176.300 0.052 0.000 1.137 81 R CA 1.408 57.597 56.100 0.148 0.000 0.945 81 R CB -0.820 29.580 30.300 0.166 0.000 0.845 81 R HN 0.489 nan 8.270 nan 0.000 0.430 82 A N -0.120 122.661 122.820 -0.065 0.000 1.933 82 A HA -0.152 4.174 4.320 0.009 0.000 0.218 82 A C 2.195 179.652 177.584 -0.212 0.000 1.175 82 A CA 1.846 53.801 52.037 -0.136 0.000 0.628 82 A CB -0.686 18.232 19.000 -0.137 0.000 0.814 82 A HN 0.455 nan 8.150 nan 0.000 0.444 83 S N -0.592 114.922 115.700 -0.310 0.000 2.356 83 S HA -0.051 4.425 4.470 0.009 0.000 0.223 83 S C 2.241 176.713 174.600 -0.212 0.000 1.032 83 S CA 1.519 59.561 58.200 -0.263 0.000 1.005 83 S CB -0.456 62.441 63.200 -0.506 0.000 0.867 83 S HN 0.800 nan 8.310 nan 0.000 0.449 84 A N 1.040 123.729 122.820 -0.219 0.000 1.877 84 A HA -0.152 4.173 4.320 0.009 0.000 0.216 84 A C 2.046 179.345 177.584 -0.475 0.000 1.186 84 A CA 1.915 53.761 52.037 -0.318 0.000 0.620 84 A CB -0.898 17.875 19.000 -0.378 0.000 0.822 84 A HN 0.737 nan 8.150 nan 0.000 0.443 85 E N -0.559 119.288 120.200 -0.588 0.000 2.058 85 E HA -0.225 4.131 4.350 0.009 0.000 0.194 85 E C 1.935 178.229 176.600 -0.511 0.000 0.997 85 E CA 1.491 57.331 56.400 -0.934 0.000 0.801 85 E CB -0.222 28.971 29.700 -0.844 0.000 0.746 85 E HN 0.466 nan 8.360 nan 0.000 0.450 86 L N 0.776 121.826 121.223 -0.288 0.000 2.017 86 L HA -0.115 4.231 4.340 0.009 0.000 0.208 86 L C 2.240 179.015 176.870 -0.159 0.000 1.073 86 L CA 2.271 57.028 54.840 -0.139 0.000 0.745 86 L CB -0.687 41.366 42.059 -0.011 0.000 0.894 86 L HN 0.183 nan 8.230 nan 0.000 0.432 87 A N -0.416 122.282 122.820 -0.203 0.000 1.832 87 A HA -0.120 4.205 4.320 0.009 0.000 0.214 87 A C 2.224 179.666 177.584 -0.237 0.000 1.200 87 A CA 1.972 53.885 52.037 -0.207 0.000 0.610 87 A CB -0.964 17.910 19.000 -0.210 0.000 0.842 87 A HN 0.469 nan 8.150 nan 0.000 0.444 88 L N -1.343 119.710 121.223 -0.283 0.000 2.109 88 L HA 0.200 4.546 4.340 0.009 0.000 0.207 88 L C 1.263 177.990 176.870 -0.239 0.000 1.086 88 L CA 0.631 55.314 54.840 -0.261 0.000 0.760 88 L CB -1.014 40.889 42.059 -0.261 0.000 0.910 88 L HN 0.700 nan 8.230 nan 0.000 0.437 89 G N 0.303 108.925 108.800 -0.297 0.000 2.784 89 G HA2 -0.153 3.813 3.960 0.009 0.000 0.686 89 G HA3 -0.153 3.813 3.960 0.009 0.000 0.686 89 G C 0.509 175.232 174.900 -0.295 0.000 1.156 89 G CA -0.101 44.856 45.100 -0.238 0.000 0.757 89 G HN 0.321 nan 8.290 nan 0.000 0.642 90 E N 0.997 121.045 120.200 -0.255 0.000 2.114 90 E HA -0.262 4.094 4.350 0.009 0.000 0.199 90 E C 1.466 178.072 176.600 0.009 0.000 1.008 90 E CA 1.670 57.960 56.400 -0.184 0.000 0.810 90 E CB -0.237 29.404 29.700 -0.099 0.000 0.739 90 E HN 0.754 nan 8.360 nan 0.000 0.456 91 N N 1.175 119.881 118.700 0.010 0.000 2.235 91 N HA 0.023 4.769 4.740 0.009 0.000 0.209 91 N C 0.181 175.721 175.510 0.051 0.000 1.122 91 N CA -0.068 53.014 53.050 0.054 0.000 0.845 91 N CB 0.640 39.143 38.487 0.027 0.000 1.004 91 N HN -0.071 nan 8.380 nan 0.000 0.499 92 S N 1.475 117.201 115.700 0.043 0.000 2.549 92 S HA -0.084 4.392 4.470 0.009 0.000 0.286 92 S C 1.356 176.001 174.600 0.075 0.000 1.314 92 S CA -0.362 57.853 58.200 0.025 0.000 1.062 92 S CB 1.187 64.382 63.200 -0.008 0.000 0.865 92 S HN 0.289 nan 8.310 nan 0.000 0.498 93 E N 4.375 124.594 120.200 0.032 0.000 2.110 93 E HA -0.156 4.199 4.350 0.009 0.000 0.193 93 E C 1.944 178.570 176.600 0.044 0.000 0.988 93 E CA 1.463 57.881 56.400 0.029 0.000 0.804 93 E CB -0.548 29.154 29.700 0.004 0.000 0.745 93 E HN 0.814 nan 8.360 nan 0.000 0.458 94 A N 0.616 123.465 122.820 0.048 0.000 1.902 94 A HA -0.165 4.160 4.320 0.009 0.000 0.217 94 A C 2.070 179.746 177.584 0.154 0.000 1.181 94 A CA 1.375 53.457 52.037 0.075 0.000 0.623 94 A CB -0.906 18.117 19.000 0.037 0.000 0.818 94 A HN 0.430 nan 8.150 nan 0.000 0.443 95 F N 0.596 120.521 119.950 -0.041 0.000 2.060 95 F HA -0.074 4.459 4.527 0.009 0.000 0.295 95 F C 2.225 178.070 175.800 0.075 0.000 1.120 95 F CA 1.993 59.950 58.000 -0.072 0.000 1.205 95 F CB -0.193 38.695 39.000 -0.187 0.000 0.986 95 F HN 0.036 nan 8.300 nan 0.000 0.470 96 K N 0.103 120.485 120.400 -0.030 0.000 2.103 96 K HA -0.150 4.176 4.320 0.009 0.000 0.207 96 K C 2.185 178.726 176.600 -0.099 0.000 1.048 96 K CA 1.644 57.874 56.287 -0.095 0.000 0.930 96 K CB -0.549 31.961 32.500 0.016 0.000 0.716 96 K HN 0.445 nan 8.250 nan 0.000 0.444 97 S N -0.681 114.993 115.700 -0.044 0.000 2.496 97 S HA 0.045 4.520 4.470 0.009 0.000 0.224 97 S C 1.341 175.900 174.600 -0.068 0.000 0.996 97 S CA 0.624 58.798 58.200 -0.043 0.000 0.927 97 S CB 0.118 63.307 63.200 -0.018 0.000 0.774 97 S HN 0.405 nan 8.310 nan 0.000 0.524 98 G N 2.894 111.659 108.800 -0.058 0.000 2.198 98 G HA2 -0.316 3.649 3.960 0.009 0.000 0.257 98 G HA3 -0.316 3.649 3.960 0.009 0.000 0.257 98 G C 0.348 175.138 174.900 -0.183 0.000 1.042 98 G CA 0.177 45.182 45.100 -0.157 0.000 0.791 98 G HN 0.853 nan 8.290 nan 0.000 0.502 99 R N -0.740 119.745 120.500 -0.025 0.000 3.081 99 R HA 0.497 4.843 4.340 0.009 0.000 0.280 99 R C 0.333 176.648 176.300 0.025 0.000 1.372 99 R CA -0.105 55.977 56.100 -0.030 0.000 1.242 99 R CB -0.268 30.032 30.300 -0.000 0.000 1.316 99 R HN 0.868 nan 8.270 nan 0.000 0.585 100 Y N -2.982 117.274 120.300 -0.073 0.000 2.609 100 Y HA 0.706 5.261 4.550 0.009 0.000 0.342 100 Y C -1.492 174.353 175.900 -0.092 0.000 1.058 100 Y CA -1.716 56.337 58.100 -0.079 0.000 1.055 100 Y CB 1.635 40.065 38.460 -0.050 0.000 1.292 100 Y HN -0.171 nan 8.280 nan 0.000 0.476 101 V N 1.956 121.808 119.914 -0.103 0.000 2.612 101 V HA 0.684 4.809 4.120 0.009 0.000 0.301 101 V C -1.466 174.621 176.094 -0.013 0.000 1.059 101 V CA -0.089 62.113 62.300 -0.163 0.000 0.886 101 V CB 1.787 33.502 31.823 -0.180 0.000 1.007 101 V HN 1.035 nan 8.190 nan 0.000 0.426 102 T N 6.440 121.034 114.554 0.068 0.000 2.841 102 T HA 0.643 4.999 4.350 0.009 0.000 0.285 102 T C -0.597 174.158 174.700 0.092 0.000 0.991 102 T CA -0.380 61.772 62.100 0.087 0.000 0.966 102 T CB 1.460 70.421 68.868 0.155 0.000 0.962 102 T HN 1.149 nan 8.240 nan 0.000 0.438 103 V N 1.705 121.693 119.914 0.124 0.000 2.680 103 V HA 0.634 4.760 4.120 0.009 0.000 0.309 103 V C -0.173 176.072 176.094 0.252 0.000 1.052 103 V CA -1.169 61.234 62.300 0.172 0.000 0.908 103 V CB 1.787 33.707 31.823 0.161 0.000 1.001 103 V HN 0.910 nan 8.190 nan 0.000 0.431 104 Q N 2.077 122.049 119.800 0.287 0.000 2.364 104 Q HA 0.575 4.921 4.340 0.009 0.000 0.267 104 Q C 0.134 176.299 176.000 0.276 0.000 0.999 104 Q CA 0.527 56.545 55.803 0.358 0.000 0.886 104 Q CB 1.107 30.014 28.738 0.281 0.000 1.243 104 Q HN 1.223 nan 8.270 nan 0.000 0.415 105 G N 2.684 111.633 108.800 0.247 0.000 2.714 105 G HA2 0.496 4.462 3.960 0.009 0.000 0.292 105 G HA3 0.496 4.462 3.960 0.009 0.000 0.292 105 G C -0.842 174.085 174.900 0.044 0.000 1.308 105 G CA -0.939 44.267 45.100 0.177 0.000 0.964 105 G HN 0.729 nan 8.290 nan 0.000 0.484 106 I N 2.107 122.637 120.570 -0.066 0.000 2.227 106 I HA 0.228 4.403 4.170 0.009 0.000 0.297 106 I C 0.963 177.060 176.117 -0.033 0.000 1.173 106 I CA 0.306 61.529 61.300 -0.128 0.000 1.356 106 I CB -0.412 37.429 38.000 -0.264 0.000 1.485 106 I HN 0.589 nan 8.210 nan 0.000 0.604 107 S N 3.641 119.345 115.700 0.007 0.000 3.443 107 S HA -0.203 4.272 4.470 0.009 0.000 0.635 107 S C 1.499 176.134 174.600 0.059 0.000 2.555 107 S CA 0.732 58.953 58.200 0.035 0.000 2.778 107 S CB -1.009 62.193 63.200 0.002 0.000 0.331 107 S HN 0.863 nan 8.310 nan 0.000 1.765 108 G N -0.181 108.632 108.800 0.022 0.000 2.402 108 G HA2 -0.076 3.890 3.960 0.009 0.000 0.216 108 G HA3 -0.076 3.890 3.960 0.009 0.000 0.216 108 G C 1.395 176.350 174.900 0.091 0.000 1.162 108 G CA 1.733 46.848 45.100 0.026 0.000 0.777 108 G HN 0.841 nan 8.290 nan 0.000 0.539 109 T N 1.080 115.701 114.554 0.111 0.000 2.708 109 T HA -0.037 4.318 4.350 0.009 0.000 0.266 109 T C 2.513 177.256 174.700 0.072 0.000 1.037 109 T CA 1.420 63.614 62.100 0.157 0.000 1.146 109 T CB -0.666 68.313 68.868 0.185 0.000 0.865 109 T HN 0.338 nan 8.240 nan 0.000 0.435 110 G N 1.196 110.020 108.800 0.041 0.000 2.442 110 G HA2 -0.204 3.761 3.960 0.009 0.000 0.219 110 G HA3 -0.204 3.761 3.960 0.009 0.000 0.219 110 G C 1.877 176.809 174.900 0.054 0.000 1.141 110 G CA 1.131 46.242 45.100 0.017 0.000 0.763 110 G HN 0.506 nan 8.290 nan 0.000 0.554 111 S N 0.478 116.236 115.700 0.097 0.000 2.368 111 S HA -0.021 4.454 4.470 0.009 0.000 0.225 111 S C 2.285 176.939 174.600 0.091 0.000 1.030 111 S CA 0.841 59.134 58.200 0.155 0.000 0.999 111 S CB -0.275 63.078 63.200 0.255 0.000 0.844 111 S HN 0.304 nan 8.310 nan 0.000 0.459 112 L N 0.808 122.103 121.223 0.120 0.000 2.046 112 L HA -0.124 4.221 4.340 0.009 0.000 0.208 112 L C 2.737 179.548 176.870 -0.098 0.000 1.077 112 L CA 1.242 56.137 54.840 0.092 0.000 0.747 112 L CB -0.322 41.774 42.059 0.061 0.000 0.896 112 L HN 0.187 nan 8.230 nan 0.000 0.432 113 R N -0.088 120.342 120.500 -0.118 0.000 2.066 113 R HA -0.116 4.230 4.340 0.009 0.000 0.232 113 R C 2.084 178.312 176.300 -0.120 0.000 1.131 113 R CA 1.595 57.610 56.100 -0.142 0.000 0.955 113 R CB -0.897 29.349 30.300 -0.090 0.000 0.851 113 R HN 0.080 nan 8.270 nan 0.000 0.432 114 V N 0.221 120.062 119.914 -0.122 0.000 2.282 114 V HA -0.212 3.913 4.120 0.009 0.000 0.249 114 V C 2.239 178.119 176.094 -0.357 0.000 1.057 114 V CA 2.255 64.460 62.300 -0.158 0.000 1.032 114 V CB -1.138 30.628 31.823 -0.096 0.000 0.645 114 V HN 0.671 nan 8.190 nan 0.000 0.447 115 G N -0.783 107.547 108.800 -0.784 0.000 2.421 115 G HA2 -0.218 3.748 3.960 0.009 0.000 0.216 115 G HA3 -0.218 3.748 3.960 0.009 0.000 0.216 115 G C 1.785 176.669 174.900 -0.027 0.000 1.171 115 G CA 1.063 45.579 45.100 -0.974 0.000 0.775 115 G HN 0.629 nan 8.290 nan 0.000 0.543 116 A N 1.329 124.185 122.820 0.059 0.000 1.908 116 A HA -0.122 4.204 4.320 0.009 0.000 0.218 116 A C 2.272 179.938 177.584 0.137 0.000 1.181 116 A CA 2.116 54.248 52.037 0.159 0.000 0.627 116 A CB -0.513 18.373 19.000 -0.190 0.000 0.818 116 A HN 0.373 nan 8.150 nan 0.000 0.445 117 N N -1.151 117.587 118.700 0.064 0.000 2.188 117 N HA -0.097 4.648 4.740 0.009 0.000 0.184 117 N C 1.327 176.923 175.510 0.143 0.000 1.018 117 N CA 1.418 54.511 53.050 0.073 0.000 0.858 117 N CB -0.546 37.967 38.487 0.043 0.000 0.989 117 N HN 0.562 nan 8.380 nan 0.000 0.426 118 F N 1.298 121.289 119.950 0.069 0.000 2.146 118 F HA 0.006 4.538 4.527 0.009 0.000 0.298 118 F C 1.781 177.756 175.800 0.293 0.000 1.096 118 F CA 1.057 59.190 58.000 0.221 0.000 1.275 118 F CB -0.187 38.940 39.000 0.212 0.000 1.008 118 F HN -0.055 nan 8.300 nan 0.000 0.480 119 L N 0.036 121.398 121.223 0.233 0.000 2.056 119 L HA -0.211 4.135 4.340 0.009 0.000 0.207 119 L C 2.670 179.617 176.870 0.128 0.000 1.078 119 L CA 1.430 56.391 54.840 0.201 0.000 0.749 119 L CB -1.049 41.158 42.059 0.246 0.000 0.901 119 L HN 0.255 nan 8.230 nan 0.000 0.433 120 Q N 1.013 120.867 119.800 0.091 0.000 2.096 120 Q HA -0.264 4.082 4.340 0.009 0.000 0.204 120 Q C 2.292 178.231 176.000 -0.102 0.000 0.982 120 Q CA 1.861 57.681 55.803 0.028 0.000 0.850 120 Q CB -0.078 28.676 28.738 0.027 0.000 0.901 120 Q HN 0.424 nan 8.270 nan 0.000 0.422 121 R N -1.355 119.011 120.500 -0.223 0.000 2.062 121 R HA -0.078 4.268 4.340 0.009 0.000 0.229 121 R C 1.783 177.594 176.300 -0.814 0.000 1.128 121 R CA 1.597 57.359 56.100 -0.562 0.000 0.960 121 R CB -0.052 29.809 30.300 -0.732 0.000 0.855 121 R HN 0.234 nan 8.270 nan 0.000 0.432 122 F N -1.732 118.033 119.950 -0.308 0.000 2.717 122 F HA 0.203 4.736 4.527 0.009 0.000 0.297 122 F C 0.380 176.064 175.800 -0.194 0.000 1.113 122 F CA -0.539 57.270 58.000 -0.319 0.000 1.319 122 F CB 0.197 38.870 39.000 -0.545 0.000 1.097 122 F HN -0.126 nan 8.300 nan 0.000 0.595 123 F N 3.727 123.625 119.950 -0.085 0.000 2.619 123 F HA 0.159 4.692 4.527 0.009 0.000 0.350 123 F C 1.610 177.298 175.800 -0.188 0.000 1.259 123 F CA -0.947 57.049 58.000 -0.007 0.000 1.204 123 F CB -0.173 38.917 39.000 0.149 0.000 1.556 123 F HN -0.014 nan 8.300 nan 0.000 0.650 124 K N 1.531 121.465 120.400 -0.776 0.000 2.288 124 K HA -0.151 4.175 4.320 0.009 0.000 0.201 124 K C 1.352 177.525 176.600 -0.713 0.000 1.048 124 K CA 1.473 57.329 56.287 -0.719 0.000 0.956 124 K CB -0.541 31.527 32.500 -0.720 0.000 0.746 124 K HN 0.424 nan 8.250 nan 0.000 0.461 125 F N 1.124 120.793 119.950 -0.469 0.000 2.333 125 F HA -0.015 4.518 4.527 0.010 0.000 0.300 125 F C 1.329 177.078 175.800 -0.085 0.000 1.083 125 F CA 0.301 58.094 58.000 -0.345 0.000 1.395 125 F CB -0.391 38.320 39.000 -0.482 0.000 1.056 125 F HN 0.140 nan 8.300 nan 0.000 0.529 134 Y N 4.820 125.082 120.300 -0.063 0.000 2.404 134 Y HA 0.682 5.237 4.550 0.009 0.000 0.344 134 Y C 0.353 176.323 175.900 0.117 0.000 0.970 134 Y CA -0.384 57.763 58.100 0.078 0.000 1.180 134 Y CB 1.298 39.861 38.460 0.172 0.000 1.138 134 Y HN 0.478 nan 8.280 nan 0.000 0.510 135 L N 6.508 127.784 121.223 0.088 0.000 2.344 135 L HA 0.548 4.894 4.340 0.009 0.000 0.272 135 L C -2.210 174.463 176.870 -0.328 0.000 1.035 135 L CA -2.344 52.481 54.840 -0.024 0.000 0.807 135 L CB 1.636 43.664 42.059 -0.050 0.000 1.237 135 L HN 0.356 nan 8.230 nan 0.000 0.442 136 P HA 0.136 nan 4.420 nan 0.000 0.274 136 P C -1.481 175.591 177.300 -0.379 0.000 1.237 136 P CA -0.486 62.034 63.100 -0.966 0.000 0.793 136 P CB 0.636 31.880 31.700 -0.761 0.000 0.977 137 K N 2.702 122.952 120.400 -0.249 0.000 2.334 137 K HA 0.420 4.746 4.320 0.009 0.000 0.265 137 K C -2.046 174.579 176.600 0.041 0.000 1.039 137 K CA -1.631 54.623 56.287 -0.056 0.000 0.920 137 K CB 1.139 33.636 32.500 -0.004 0.000 1.160 137 K HN 0.414 nan 8.250 nan 0.000 0.451 138 P HA 0.311 nan 4.420 nan 0.000 0.304 138 P C -0.704 176.622 177.300 0.042 0.000 1.310 138 P CA -0.679 62.422 63.100 0.002 0.000 0.796 138 P CB 1.763 33.448 31.700 -0.026 0.000 1.297 139 S N -1.930 113.807 115.700 0.061 0.000 2.685 139 S HA 0.464 4.940 4.470 0.009 0.000 0.282 139 S C -1.653 173.035 174.600 0.146 0.000 1.159 139 S CA -0.627 57.671 58.200 0.163 0.000 0.833 139 S CB 0.196 63.627 63.200 0.385 0.000 1.151 139 S HN 0.459 nan 8.310 nan 0.000 0.485 140 W N 2.731 124.003 121.300 -0.047 0.000 2.343 140 W HA 0.334 4.999 4.660 0.009 0.000 0.337 140 W C 1.287 177.697 176.519 -0.182 0.000 1.320 140 W CA 0.265 57.474 57.345 -0.226 0.000 1.290 140 W CB -0.207 29.004 29.460 -0.414 0.000 1.206 140 W HN 0.810 nan 8.180 nan 0.000 0.565 141 G N 3.831 112.443 108.800 -0.313 0.000 2.469 141 G HA2 -0.424 3.542 3.960 0.009 0.000 0.220 141 G HA3 -0.424 3.542 3.960 0.009 0.000 0.220 141 G C 1.416 175.979 174.900 -0.560 0.000 1.136 141 G CA 1.291 46.180 45.100 -0.351 0.000 0.759 141 G HN 0.599 nan 8.290 nan 0.000 0.562 142 N N 0.218 118.213 118.700 -1.175 0.000 2.289 142 N HA -0.064 4.681 4.740 0.009 0.000 0.184 142 N C 1.809 176.904 175.510 -0.690 0.000 1.016 142 N CA 0.939 53.306 53.050 -1.138 0.000 0.872 142 N CB -0.443 37.039 38.487 -1.675 0.000 0.973 142 N HN 0.647 nan 8.380 nan 0.000 0.433 143 H N -1.291 117.484 119.070 -0.493 0.000 2.353 143 H HA -0.124 4.437 4.556 0.009 0.000 0.298 143 H C 1.664 177.017 175.328 0.040 0.000 1.103 143 H CA 1.785 57.788 56.048 -0.074 0.000 1.293 143 H CB -0.060 29.780 29.762 0.130 0.000 1.372 143 H HN 0.203 nan 8.280 nan 0.000 0.501 144 T N 1.307 115.906 114.554 0.075 0.000 2.595 144 T HA -0.131 4.224 4.350 0.009 0.000 0.264 144 T C -0.597 174.121 174.700 0.031 0.000 1.058 144 T CA 1.953 64.088 62.100 0.058 0.000 1.166 144 T CB -1.006 67.861 68.868 -0.002 0.000 0.863 144 T HN 0.437 nan 8.240 nan 0.000 0.415 145 P HA 0.029 nan 4.420 nan 0.000 0.218 145 P C 1.590 178.836 177.300 -0.090 0.000 1.149 145 P CA 1.000 64.056 63.100 -0.073 0.000 0.817 145 P CB -0.289 31.345 31.700 -0.110 0.000 0.785 146 I N -1.328 119.150 120.570 -0.153 0.000 2.118 146 I HA -0.277 3.899 4.170 0.009 0.000 0.241 146 I C 2.416 178.356 176.117 -0.295 0.000 1.070 146 I CA 1.771 62.908 61.300 -0.273 0.000 1.327 146 I CB -0.768 36.971 38.000 -0.434 0.000 1.034 146 I HN -0.171 nan 8.210 nan 0.000 0.405 147 F N 0.165 120.102 119.950 -0.022 0.000 2.163 147 F HA -0.072 4.461 4.527 0.010 0.000 0.297 147 F C 2.704 178.499 175.800 -0.009 0.000 1.094 147 F CA 1.097 59.093 58.000 -0.008 0.000 1.290 147 F CB -0.559 38.432 39.000 -0.016 0.000 1.017 147 F HN -0.121 nan 8.300 nan 0.000 0.483 148 R N 0.546 121.126 120.500 0.133 0.000 2.075 148 R HA -0.154 4.192 4.340 0.009 0.000 0.232 148 R C 1.629 177.948 176.300 0.033 0.000 1.126 148 R CA 1.870 58.011 56.100 0.068 0.000 0.963 148 R CB -0.415 29.907 30.300 0.036 0.000 0.858 148 R HN 0.158 nan 8.270 nan 0.000 0.435 149 D N 0.084 120.485 120.400 0.002 0.000 2.178 149 D HA -0.100 4.545 4.640 0.009 0.000 0.201 149 D C 1.534 177.829 176.300 -0.008 0.000 0.980 149 D CA 1.280 55.271 54.000 -0.015 0.000 0.842 149 D CB -0.104 40.673 40.800 -0.038 0.000 0.948 149 D HN 0.318 nan 8.370 nan 0.000 0.472 150 A N -0.355 122.464 122.820 -0.002 0.000 2.066 150 A HA 0.290 4.616 4.320 0.009 0.000 0.218 150 A C 1.841 179.447 177.584 0.037 0.000 1.157 150 A CA 1.564 53.608 52.037 0.013 0.000 0.670 150 A CB -0.207 18.804 19.000 0.018 0.000 0.804 150 A HN 0.305 nan 8.150 nan 0.000 0.453 151 G N -2.134 106.694 108.800 0.046 0.000 2.138 151 G HA2 -0.143 3.822 3.960 0.009 0.000 0.193 151 G HA3 -0.143 3.822 3.960 0.009 0.000 0.193 151 G C 0.040 174.977 174.900 0.061 0.000 0.998 151 G CA 0.166 45.290 45.100 0.041 0.000 0.668 151 G HN 0.386 nan 8.290 nan 0.000 0.516 155 L N 1.846 123.019 121.223 -0.084 0.000 2.309 155 L HA 0.597 4.942 4.340 0.009 0.000 0.282 155 L C 0.210 176.943 176.870 -0.227 0.000 1.036 155 L CA -0.492 54.262 54.840 -0.144 0.000 0.806 155 L CB 1.133 43.151 42.059 -0.068 0.000 1.220 155 L HN 0.411 nan 8.230 nan 0.000 0.429 156 Q N 1.887 121.462 119.800 -0.375 0.000 2.605 156 Q HA 0.870 5.215 4.340 0.009 0.000 0.296 156 Q C -1.248 174.580 176.000 -0.287 0.000 1.056 156 Q CA -0.919 54.570 55.803 -0.523 0.000 0.778 156 Q CB 2.721 30.639 28.738 -1.366 0.000 1.497 156 Q HN 0.683 nan 8.270 nan 0.000 0.443 157 A N 0.476 123.249 122.820 -0.078 0.000 2.556 157 A HA 0.788 5.114 4.320 0.009 0.000 0.294 157 A C -1.930 175.840 177.584 0.309 0.000 1.091 157 A CA -0.651 51.436 52.037 0.083 0.000 0.704 157 A CB 1.349 20.346 19.000 -0.005 0.000 1.300 157 A HN 0.646 nan 8.150 nan 0.000 0.406 158 Y N -0.693 119.727 120.300 0.200 0.000 2.462 158 Y HA 0.796 5.352 4.550 0.009 0.000 0.346 158 Y C 0.011 175.995 175.900 0.140 0.000 0.976 158 Y CA -1.238 56.961 58.100 0.165 0.000 1.044 158 Y CB 1.086 39.628 38.460 0.138 0.000 1.230 158 Y HN 0.698 nan 8.280 nan 0.000 0.455 159 R N 1.890 122.505 120.500 0.192 0.000 2.570 159 R HA 0.086 4.432 4.340 0.009 0.000 0.277 159 R C -0.861 175.549 176.300 0.183 0.000 1.039 159 R CA 0.534 56.704 56.100 0.116 0.000 1.065 159 R CB 0.297 30.644 30.300 0.078 0.000 0.964 159 R HN 0.965 nan 8.270 nan 0.000 0.428 160 Y N 2.004 122.278 120.300 -0.043 0.000 3.260 160 Y HA 0.099 4.655 4.550 0.010 0.000 0.202 160 Y C -0.711 175.161 175.900 -0.046 0.000 0.962 160 Y CA -0.223 57.841 58.100 -0.060 0.000 1.582 160 Y CB 0.242 38.579 38.460 -0.206 0.000 1.478 160 Y HN 0.550 nan 8.280 nan 0.000 0.384 161 Y N 2.793 123.044 120.300 -0.081 0.000 2.304 161 Y HA 0.396 4.952 4.550 0.010 0.000 0.328 161 Y C -0.833 175.014 175.900 -0.088 0.000 1.123 161 Y CA -0.808 57.208 58.100 -0.140 0.000 1.218 161 Y CB 0.773 39.176 38.460 -0.095 0.000 1.207 161 Y HN 0.141 nan 8.280 nan 0.000 0.495 162 D N 8.213 128.190 120.400 -0.704 0.000 2.427 162 D HA 0.306 4.952 4.640 0.009 0.000 0.226 162 D C -2.151 173.685 176.300 -0.775 0.000 1.076 162 D CA -2.675 51.014 54.000 -0.519 0.000 0.849 162 D CB 1.778 42.367 40.800 -0.352 0.000 1.052 162 D HN 0.323 nan 8.370 nan 0.000 0.515 163 P HA -0.052 nan 4.420 nan 0.000 0.226 163 P C 0.804 177.999 177.300 -0.174 0.000 1.153 163 P CA 0.870 63.851 63.100 -0.199 0.000 0.777 163 P CB 0.437 32.179 31.700 0.071 0.000 0.794 164 K N -0.663 119.624 120.400 -0.187 0.000 2.103 164 K HA -0.027 4.299 4.320 0.009 0.000 0.204 164 K C 1.800 178.293 176.600 -0.177 0.000 1.052 164 K CA 1.880 58.080 56.287 -0.146 0.000 0.945 164 K CB -0.479 31.952 32.500 -0.114 0.000 0.722 164 K HN 0.259 nan 8.250 nan 0.000 0.443 165 T N -3.554 110.862 114.554 -0.230 0.000 3.040 165 T HA 0.099 4.455 4.350 0.009 0.000 0.266 165 T C 0.760 175.302 174.700 -0.264 0.000 1.005 165 T CA -0.185 61.786 62.100 -0.214 0.000 0.906 165 T CB -0.454 68.315 68.868 -0.166 0.000 1.082 165 T HN 0.223 nan 8.240 nan 0.000 0.531 166 C N 2.745 121.826 119.300 -0.365 0.000 4.274 166 C HA -0.101 4.365 4.460 0.009 0.000 0.297 166 C C 1.113 176.029 174.990 -0.123 0.000 1.446 166 C CA 0.510 59.368 59.018 -0.266 0.000 2.016 166 C CB -3.224 24.365 27.740 -0.251 0.000 1.273 166 C HN 1.026 nan 8.230 nan 0.000 0.782 167 S N -1.576 113.937 115.700 -0.311 0.000 2.911 167 S HA 0.845 5.321 4.470 0.009 0.000 0.319 167 S C -0.731 173.699 174.600 -0.284 0.000 1.154 167 S CA -1.001 57.098 58.200 -0.168 0.000 0.857 167 S CB 1.114 64.248 63.200 -0.110 0.000 1.279 167 S HN 0.672 nan 8.310 nan 0.000 0.593 168 L N 1.998 123.074 121.223 -0.245 0.000 2.331 168 L HA 0.478 4.824 4.340 0.009 0.000 0.278 168 L C -0.478 176.259 176.870 -0.222 0.000 1.106 168 L CA 0.167 54.808 54.840 -0.331 0.000 0.824 168 L CB 0.517 42.372 42.059 -0.340 0.000 1.142 168 L HN 0.793 nan 8.230 nan 0.000 0.443 169 D N 3.762 124.023 120.400 -0.230 0.000 2.563 169 D HA -0.032 4.613 4.640 0.009 0.000 0.222 169 D C 0.913 177.179 176.300 -0.057 0.000 1.145 169 D CA -0.041 53.886 54.000 -0.122 0.000 1.001 169 D CB -0.164 40.568 40.800 -0.114 0.000 1.049 169 D HN 0.506 nan 8.370 nan 0.000 0.515 170 F N 1.997 121.847 119.950 -0.167 0.000 2.102 170 F HA -0.191 4.341 4.527 0.009 0.000 0.298 170 F C 1.989 177.745 175.800 -0.073 0.000 1.105 170 F CA 1.435 59.356 58.000 -0.131 0.000 1.239 170 F CB -0.416 38.511 39.000 -0.123 0.000 0.991 170 F HN 0.187 nan 8.300 nan 0.000 0.474 171 T N -0.121 114.370 114.554 -0.105 0.000 2.684 171 T HA -0.136 4.220 4.350 0.009 0.000 0.267 171 T C 2.154 176.752 174.700 -0.169 0.000 1.036 171 T CA 1.563 63.560 62.100 -0.173 0.000 1.148 171 T CB -1.206 67.629 68.868 -0.054 0.000 0.863 171 T HN 0.459 nan 8.240 nan 0.000 0.436 172 G N 1.009 109.748 108.800 -0.101 0.000 2.418 172 G HA2 -0.054 3.912 3.960 0.009 0.000 0.217 172 G HA3 -0.054 3.912 3.960 0.009 0.000 0.217 172 G C 1.826 176.702 174.900 -0.040 0.000 1.158 172 G CA 0.992 46.060 45.100 -0.054 0.000 0.771 172 G HN 0.581 nan 8.290 nan 0.000 0.545 173 A N 0.936 123.724 122.820 -0.054 0.000 1.851 173 A HA -0.049 4.277 4.320 0.009 0.000 0.216 173 A C 2.473 179.981 177.584 -0.126 0.000 1.195 173 A CA 2.257 54.301 52.037 0.012 0.000 0.622 173 A CB -0.437 18.586 19.000 0.038 0.000 0.831 173 A HN 0.283 nan 8.150 nan 0.000 0.444 174 M N -0.543 118.860 119.600 -0.329 0.000 2.108 174 M HA -0.187 4.299 4.480 0.009 0.000 0.261 174 M C 1.958 178.144 176.300 -0.190 0.000 1.066 174 M CA 1.727 56.823 55.300 -0.339 0.000 1.107 174 M CB -1.521 30.755 32.600 -0.540 0.000 1.356 174 M HN 0.547 nan 8.290 nan 0.000 0.406 175 E N 0.213 120.325 120.200 -0.148 0.000 2.072 175 E HA -0.189 4.167 4.350 0.009 0.000 0.191 175 E C 1.659 178.225 176.600 -0.056 0.000 0.985 175 E CA 1.143 57.491 56.400 -0.086 0.000 0.801 175 E CB 0.023 29.687 29.700 -0.060 0.000 0.750 175 E HN 0.445 nan 8.360 nan 0.000 0.452 176 D N 0.548 120.930 120.400 -0.030 0.000 2.097 176 D HA -0.114 4.531 4.640 0.009 0.000 0.197 176 D C 1.960 178.222 176.300 -0.064 0.000 0.984 176 D CA 0.844 54.850 54.000 0.010 0.000 0.826 176 D CB -0.182 40.688 40.800 0.117 0.000 0.973 176 D HN 0.152 nan 8.370 nan 0.000 0.460 177 I N 0.554 121.054 120.570 -0.117 0.000 2.286 177 I HA -0.230 3.945 4.170 0.009 0.000 0.248 177 I C 2.246 178.267 176.117 -0.160 0.000 1.115 177 I CA 0.758 61.935 61.300 -0.203 0.000 1.392 177 I CB -0.137 37.723 38.000 -0.234 0.000 1.065 177 I HN -0.120 nan 8.210 nan 0.000 0.418 178 S N 0.270 115.899 115.700 -0.117 0.000 2.419 178 S HA -0.129 4.347 4.470 0.009 0.000 0.233 178 S C 1.750 176.304 174.600 -0.077 0.000 1.016 178 S CA 1.213 59.359 58.200 -0.089 0.000 0.974 178 S CB -0.096 63.058 63.200 -0.077 0.000 0.786 178 S HN 0.396 nan 8.310 nan 0.000 0.492 179 K N 0.285 120.638 120.400 -0.078 0.000 2.374 179 K HA 0.260 4.586 4.320 0.009 0.000 0.196 179 K C -0.068 176.481 176.600 -0.086 0.000 1.023 179 K CA -0.012 56.241 56.287 -0.057 0.000 1.103 179 K CB 0.260 32.746 32.500 -0.024 0.000 0.848 179 K HN 0.342 nan 8.250 nan 0.000 0.528 180 I N 3.426 123.890 120.570 -0.176 0.000 2.556 180 I HA 0.039 4.215 4.170 0.009 0.000 0.284 180 I C -2.203 173.829 176.117 -0.142 0.000 1.114 180 I CA -2.204 58.917 61.300 -0.299 0.000 1.418 180 I CB 0.498 38.153 38.000 -0.576 0.000 1.394 180 I HN -0.210 nan 8.210 nan 0.000 0.552 181 P HA -0.010 nan 4.420 nan 0.000 0.265 181 P C -0.653 176.656 177.300 0.015 0.000 1.193 181 P CA -0.043 63.066 63.100 0.014 0.000 0.765 181 P CB 0.300 32.050 31.700 0.082 0.000 0.823 182 E N 2.953 123.164 120.200 0.019 0.000 2.481 182 E HA -0.115 4.241 4.350 0.009 0.000 0.263 182 E C 0.246 176.887 176.600 0.068 0.000 0.992 182 E CA 0.430 56.843 56.400 0.022 0.000 0.938 182 E CB -0.018 29.687 29.700 0.010 0.000 0.933 182 E HN 0.364 nan 8.360 nan 0.000 0.453 183 K N 0.168 120.615 120.400 0.078 0.000 3.192 183 K HA -0.146 4.179 4.320 0.009 0.000 0.278 183 K C -0.448 176.356 176.600 0.339 0.000 1.164 183 K CA 0.195 56.582 56.287 0.167 0.000 0.816 183 K CB -1.367 31.175 32.500 0.071 0.000 1.256 183 K HN 0.331 nan 8.250 nan 0.000 0.497 184 S N 0.111 115.953 115.700 0.238 0.000 2.693 184 S HA 0.568 5.044 4.470 0.009 0.000 0.276 184 S C 0.483 175.207 174.600 0.207 0.000 1.192 184 S CA -0.711 57.655 58.200 0.275 0.000 0.994 184 S CB 1.017 64.341 63.200 0.206 0.000 1.012 184 S HN 0.227 nan 8.310 nan 0.000 0.550 185 I N 1.696 122.369 120.570 0.172 0.000 2.359 185 I HA 0.454 4.630 4.170 0.009 0.000 0.294 185 I C -0.454 175.718 176.117 0.093 0.000 0.987 185 I CA -0.136 61.183 61.300 0.031 0.000 1.225 185 I CB 1.019 38.974 38.000 -0.076 0.000 1.366 185 I HN 0.428 nan 8.210 nan 0.000 0.466 186 I N 7.212 127.810 120.570 0.047 0.000 2.418 186 I HA 0.385 4.560 4.170 0.009 0.000 0.287 186 I C -1.106 175.018 176.117 0.011 0.000 1.008 186 I CA -0.830 60.496 61.300 0.044 0.000 1.104 186 I CB 1.575 39.543 38.000 -0.053 0.000 1.264 186 I HN 0.498 nan 8.210 nan 0.000 0.438 187 L N 8.379 129.612 121.223 0.017 0.000 2.276 187 L HA 0.540 4.886 4.340 0.009 0.000 0.286 187 L C -1.423 175.463 176.870 0.026 0.000 1.061 187 L CA -0.137 54.654 54.840 -0.082 0.000 0.807 187 L CB 0.798 42.682 42.059 -0.291 0.000 1.177 187 L HN 0.565 nan 8.230 nan 0.000 0.429 188 L N 4.959 126.113 121.223 -0.115 0.000 2.365 188 L HA 0.477 4.823 4.340 0.009 0.000 0.273 188 L C -0.548 176.396 176.870 0.123 0.000 1.000 188 L CA -0.707 54.122 54.840 -0.019 0.000 0.819 188 L CB 1.711 43.477 42.059 -0.488 0.000 1.284 188 L HN 0.551 nan 8.230 nan 0.000 0.418 189 H N 2.075 121.287 119.070 0.236 0.000 2.668 189 H HA 0.186 4.748 4.556 0.010 0.000 0.303 189 H C 0.588 176.224 175.328 0.513 0.000 1.074 189 H CA -0.204 56.044 56.048 0.334 0.000 1.406 189 H CB 1.988 31.947 29.762 0.328 0.000 1.442 189 H HN 0.883 nan 8.280 nan 0.000 0.482 190 A N 3.759 126.920 122.820 0.570 0.000 1.933 190 A HA -0.086 4.240 4.320 0.009 0.000 0.218 190 A C 1.096 178.958 177.584 0.463 0.000 1.175 190 A CA 1.439 53.759 52.037 0.472 0.000 0.628 190 A CB -0.341 18.802 19.000 0.238 0.000 0.814 190 A HN 0.851 nan 8.150 nan 0.000 0.444 191 C N -6.608 112.981 119.300 0.482 0.000 3.253 191 C HA 0.668 5.133 4.460 0.009 0.000 0.342 191 C C 0.461 175.695 174.990 0.407 0.000 1.306 191 C CA -0.755 58.529 59.018 0.442 0.000 1.207 191 C CB 0.778 28.717 27.740 0.333 0.000 1.479 191 C HN 2.231 nan 8.230 nan 0.000 0.469 192 A N 1.175 124.179 122.820 0.306 0.000 2.416 192 A HA -0.110 4.215 4.320 0.009 0.000 0.293 192 A C 0.348 178.055 177.584 0.204 0.000 1.452 192 A CA 1.331 53.467 52.037 0.165 0.000 0.738 192 A CB -2.214 16.754 19.000 -0.054 0.000 1.123 192 A HN 2.226 nan 8.150 nan 0.000 0.389 193 H N 0.635 119.810 119.070 0.176 0.000 3.115 193 H HA 0.128 4.690 4.556 0.010 0.000 0.324 193 H C 0.280 175.632 175.328 0.041 0.000 1.007 193 H CA 1.659 57.730 56.048 0.038 0.000 1.385 193 H CB 0.415 30.138 29.762 -0.065 0.000 1.351 193 H HN 0.733 nan 8.280 nan 0.000 0.592 194 N N 6.546 124.972 118.700 -0.456 0.000 2.407 194 N HA 0.180 4.926 4.740 0.009 0.000 0.277 194 N C -2.326 172.877 175.510 -0.513 0.000 0.995 194 N CA -2.309 50.584 53.050 -0.261 0.000 0.903 194 N CB 1.852 40.328 38.487 -0.019 0.000 1.218 194 N HN 0.358 nan 8.380 nan 0.000 0.487 195 P HA 0.109 nan 4.420 nan 0.000 0.267 195 P C 0.672 177.905 177.300 -0.113 0.000 1.289 195 P CA 0.299 63.252 63.100 -0.244 0.000 0.866 195 P CB 0.288 31.919 31.700 -0.116 0.000 1.309 196 T N -4.469 109.967 114.554 -0.197 0.000 3.014 196 T HA 0.200 4.555 4.350 0.009 0.000 0.263 196 T C 1.722 176.509 174.700 0.145 0.000 1.078 196 T CA 1.310 63.255 62.100 -0.258 0.000 1.135 196 T CB -1.071 67.444 68.868 -0.588 0.000 0.895 196 T HN 0.168 nan 8.240 nan 0.000 0.480 197 G N 0.569 109.506 108.800 0.228 0.000 2.179 197 G HA2 -0.227 3.738 3.960 0.009 0.000 0.260 197 G HA3 -0.227 3.738 3.960 0.009 0.000 0.260 197 G C 0.106 175.136 174.900 0.216 0.000 0.977 197 G CA 0.080 45.314 45.100 0.223 0.000 0.641 197 G HN 0.777 nan 8.290 nan 0.000 0.533 198 V N 1.833 121.880 119.914 0.222 0.000 2.408 198 V HA 0.527 4.653 4.120 0.009 0.000 0.267 198 V C -0.285 175.913 176.094 0.174 0.000 1.047 198 V CA -0.337 62.060 62.300 0.162 0.000 0.937 198 V CB 1.455 33.362 31.823 0.141 0.000 0.999 198 V HN 0.267 nan 8.190 nan 0.000 0.472 199 D N 5.492 125.971 120.400 0.131 0.000 2.457 199 D HA 0.535 5.181 4.640 0.009 0.000 0.240 199 D C -2.560 173.713 176.300 -0.044 0.000 1.041 199 D CA -1.490 52.602 54.000 0.152 0.000 0.861 199 D CB 2.075 43.030 40.800 0.258 0.000 1.394 199 D HN 0.270 nan 8.370 nan 0.000 0.473 200 P HA 0.243 nan 4.420 nan 0.000 0.271 200 P C -0.116 177.037 177.300 -0.245 0.000 1.218 200 P CA -0.271 62.557 63.100 -0.453 0.000 0.780 200 P CB 0.879 31.935 31.700 -1.073 0.000 0.901 201 R N 1.043 121.425 120.500 -0.196 0.000 2.560 201 R HA 0.090 4.435 4.340 0.009 0.000 0.270 201 R C 1.799 178.114 176.300 0.025 0.000 1.074 201 R CA -0.341 55.715 56.100 -0.073 0.000 1.140 201 R CB 0.286 30.502 30.300 -0.140 0.000 1.073 201 R HN 0.573 nan 8.270 nan 0.000 0.527 202 Q N 1.951 121.757 119.800 0.011 0.000 2.118 202 Q HA -0.292 4.053 4.340 0.009 0.000 0.211 202 Q C 1.374 177.387 176.000 0.022 0.000 0.998 202 Q CA 2.343 58.093 55.803 -0.089 0.000 0.872 202 Q CB -0.029 28.325 28.738 -0.640 0.000 0.925 202 Q HN 0.692 nan 8.270 nan 0.000 0.414 203 E N 0.413 120.579 120.200 -0.057 0.000 2.150 203 E HA -0.237 4.119 4.350 0.009 0.000 0.193 203 E C 1.805 178.389 176.600 -0.027 0.000 0.985 203 E CA 1.516 57.895 56.400 -0.035 0.000 0.814 203 E CB -0.314 29.335 29.700 -0.086 0.000 0.752 203 E HN 0.690 nan 8.360 nan 0.000 0.466 204 Q N -0.267 119.444 119.800 -0.149 0.000 2.187 204 Q HA -0.043 4.302 4.340 0.009 0.000 0.199 204 Q C 1.952 178.063 176.000 0.185 0.000 0.957 204 Q CA 1.133 56.761 55.803 -0.293 0.000 0.857 204 Q CB -0.256 28.033 28.738 -0.749 0.000 0.929 204 Q HN 0.365 nan 8.270 nan 0.000 0.453 205 W N 1.763 123.186 121.300 0.204 0.000 2.358 205 W HA -0.152 4.513 4.660 0.009 0.000 0.303 205 W C 2.162 178.892 176.519 0.351 0.000 1.208 205 W CA 0.708 58.283 57.345 0.385 0.000 1.274 205 W CB 0.167 29.927 29.460 0.500 0.000 1.138 205 W HN 0.044 nan 8.180 nan 0.000 0.515 206 K N 0.220 120.885 120.400 0.442 0.000 2.097 206 K HA -0.193 4.133 4.320 0.009 0.000 0.206 206 K C 1.630 178.403 176.600 0.289 0.000 1.049 206 K CA 1.692 58.146 56.287 0.278 0.000 0.933 206 K CB -0.316 32.293 32.500 0.182 0.000 0.717 206 K HN 0.273 nan 8.250 nan 0.000 0.442 207 E N 0.831 121.206 120.200 0.293 0.000 2.072 207 E HA -0.127 4.229 4.350 0.009 0.000 0.191 207 E C 2.071 178.819 176.600 0.246 0.000 0.985 207 E CA 0.777 57.341 56.400 0.273 0.000 0.801 207 E CB -0.056 29.866 29.700 0.370 0.000 0.750 207 E HN 0.204 nan 8.360 nan 0.000 0.452 208 L N 0.759 122.193 121.223 0.353 0.000 2.046 208 L HA -0.190 4.156 4.340 0.009 0.000 0.208 208 L C 2.627 179.597 176.870 0.168 0.000 1.077 208 L CA 1.000 56.028 54.840 0.313 0.000 0.747 208 L CB -0.535 41.813 42.059 0.481 0.000 0.896 208 L HN 0.145 nan 8.230 nan 0.000 0.432 209 A N 0.192 123.047 122.820 0.058 0.000 1.883 209 A HA -0.289 4.036 4.320 0.009 0.000 0.217 209 A C 2.572 179.992 177.584 -0.272 0.000 1.186 209 A CA 2.358 54.064 52.037 -0.551 0.000 0.624 209 A CB -0.914 17.836 19.000 -0.417 0.000 0.822 209 A HN 0.520 nan 8.150 nan 0.000 0.444 210 S N -0.367 115.294 115.700 -0.065 0.000 2.359 210 S HA -0.152 4.323 4.470 0.009 0.000 0.224 210 S C 1.817 176.390 174.600 -0.045 0.000 1.035 210 S CA 1.848 60.026 58.200 -0.036 0.000 1.018 210 S CB -0.943 62.270 63.200 0.020 0.000 0.876 210 S HN 0.330 nan 8.310 nan 0.000 0.448 211 V N 1.534 121.431 119.914 -0.030 0.000 2.358 211 V HA -0.088 4.038 4.120 0.009 0.000 0.246 211 V C 2.727 178.789 176.094 -0.053 0.000 1.047 211 V CA 1.555 63.830 62.300 -0.041 0.000 1.035 211 V CB -0.862 30.932 31.823 -0.048 0.000 0.658 211 V HN 0.471 nan 8.190 nan 0.000 0.452 212 V N 0.000 119.882 119.914 -0.053 0.000 2.332 212 V HA -0.317 3.809 4.120 0.009 0.000 0.248 212 V C 2.477 178.544 176.094 -0.046 0.000 1.055 212 V CA 2.415 64.697 62.300 -0.031 0.000 1.038 212 V CB -0.658 31.198 31.823 0.055 0.000 0.651 212 V HN 0.545 nan 8.190 nan 0.000 0.450 213 K N -0.030 120.316 120.400 -0.090 0.000 2.026 213 K HA -0.234 4.091 4.320 0.009 0.000 0.208 213 K C 2.309 178.880 176.600 -0.048 0.000 1.048 213 K CA 1.743 57.985 56.287 -0.074 0.000 0.929 213 K CB -0.125 32.315 32.500 -0.100 0.000 0.713 213 K HN 0.351 nan 8.250 nan 0.000 0.439 214 K N 0.009 120.381 120.400 -0.047 0.000 2.026 214 K HA -0.081 4.244 4.320 0.009 0.000 0.208 214 K C 1.962 178.541 176.600 -0.034 0.000 1.048 214 K CA 1.275 57.541 56.287 -0.036 0.000 0.929 214 K CB 0.096 32.575 32.500 -0.035 0.000 0.713 214 K HN 0.067 nan 8.250 nan 0.000 0.439 215 R N 0.570 121.048 120.500 -0.038 0.000 2.299 215 R HA -0.011 4.334 4.340 0.009 0.000 0.197 215 R C 0.159 176.445 176.300 -0.023 0.000 0.971 215 R CA 0.177 56.255 56.100 -0.037 0.000 1.030 215 R CB -0.935 29.331 30.300 -0.057 0.000 0.932 215 R HN 0.436 nan 8.270 nan 0.000 0.477 216 N N 1.119 119.807 118.700 -0.019 0.000 2.696 216 N HA -0.184 4.561 4.740 0.009 0.000 0.256 216 N C -1.041 174.481 175.510 0.020 0.000 1.031 216 N CA 0.029 53.073 53.050 -0.010 0.000 0.730 216 N CB -0.784 37.685 38.487 -0.029 0.000 0.894 216 N HN 0.187 nan 8.380 nan 0.000 0.544 217 L N 0.980 122.223 121.223 0.033 0.000 2.399 217 L HA 0.479 4.825 4.340 0.009 0.000 0.265 217 L C 0.557 177.486 176.870 0.097 0.000 1.089 217 L CA -0.982 53.895 54.840 0.063 0.000 0.802 217 L CB 1.072 43.141 42.059 0.016 0.000 1.180 217 L HN 0.151 nan 8.230 nan 0.000 0.454 218 L N 2.302 123.587 121.223 0.103 0.000 2.255 218 L HA 0.526 4.872 4.340 0.009 0.000 0.289 218 L C 0.077 176.982 176.870 0.058 0.000 1.046 218 L CA 0.026 54.904 54.840 0.064 0.000 0.816 218 L CB 0.829 42.835 42.059 -0.089 0.000 1.197 218 L HN 0.637 nan 8.230 nan 0.000 0.427 219 A N 4.973 127.867 122.820 0.123 0.000 2.309 219 A HA 0.353 4.679 4.320 0.009 0.000 0.290 219 A C -1.261 176.404 177.584 0.135 0.000 1.206 219 A CA -0.296 51.804 52.037 0.105 0.000 0.850 219 A CB -0.019 19.112 19.000 0.218 0.000 1.118 219 A HN 0.645 nan 8.150 nan 0.000 0.523 220 Y N 3.416 123.676 120.300 -0.067 0.000 2.417 220 Y HA 0.555 5.111 4.550 0.009 0.000 0.336 220 Y C -1.333 174.529 175.900 -0.064 0.000 0.961 220 Y CA -1.846 56.273 58.100 0.031 0.000 1.215 220 Y CB 0.341 38.845 38.460 0.073 0.000 1.120 220 Y HN 0.553 nan 8.280 nan 0.000 0.499 221 F N 4.140 124.308 119.950 0.362 0.000 2.404 221 F HA 0.231 4.764 4.527 0.009 0.000 0.345 221 F C 0.343 176.262 175.800 0.198 0.000 1.110 221 F CA -0.407 57.692 58.000 0.165 0.000 1.130 221 F CB 0.904 39.909 39.000 0.009 0.000 1.129 221 F HN 0.375 nan 8.300 nan 0.000 0.500 222 D N 5.097 125.635 120.400 0.230 0.000 2.427 222 D HA 0.194 4.839 4.640 0.009 0.000 0.226 222 D C -0.915 175.473 176.300 0.146 0.000 1.076 222 D CA -0.275 53.798 54.000 0.121 0.000 0.849 222 D CB 0.828 41.604 40.800 -0.040 0.000 1.052 222 D HN 0.519 nan 8.370 nan 0.000 0.515 223 M N 3.980 123.643 119.600 0.105 0.000 2.325 223 M HA 0.459 4.945 4.480 0.009 0.000 0.305 223 M C -0.185 176.058 176.300 -0.096 0.000 1.047 223 M CA -0.518 54.811 55.300 0.048 0.000 0.981 223 M CB 0.975 33.589 32.600 0.024 0.000 1.307 223 M HN 0.394 nan 8.290 nan 0.000 0.418 224 A N 2.972 125.676 122.820 -0.194 0.000 2.267 224 A HA 0.165 4.490 4.320 0.009 0.000 0.213 224 A C 0.089 177.191 177.584 -0.804 0.000 1.192 224 A CA 0.428 52.126 52.037 -0.566 0.000 0.851 224 A CB 0.059 18.565 19.000 -0.824 0.000 0.881 224 A HN 0.835 nan 8.150 nan 0.000 0.494 225 Y N -0.147 120.143 120.300 -0.017 0.000 2.698 225 Y HA 0.291 4.847 4.550 0.010 0.000 0.261 225 Y C 0.559 176.524 175.900 0.110 0.000 1.104 225 Y CA -0.862 57.266 58.100 0.048 0.000 1.145 225 Y CB -0.145 38.398 38.460 0.139 0.000 1.191 225 Y HN 0.388 nan 8.280 nan 0.000 0.564 226 Q N 0.933 120.806 119.800 0.122 0.000 2.255 226 Q HA 0.316 4.662 4.340 0.009 0.000 0.280 226 Q C 1.323 177.409 176.000 0.144 0.000 1.068 226 Q CA 1.530 57.397 55.803 0.107 0.000 0.911 226 Q CB 0.321 29.074 28.738 0.025 0.000 1.157 226 Q HN 0.781 nan 8.270 nan 0.000 0.380 227 G N 3.985 112.848 108.800 0.105 0.000 2.363 227 G HA2 -0.385 3.581 3.960 0.009 0.000 0.238 227 G HA3 -0.385 3.581 3.960 0.009 0.000 0.238 227 G C 0.296 175.238 174.900 0.069 0.000 1.062 227 G CA 0.351 45.463 45.100 0.019 0.000 0.629 227 G HN 0.728 nan 8.290 nan 0.000 0.514 228 F N 2.593 122.566 119.950 0.038 0.000 2.367 228 F HA 0.492 5.025 4.527 0.010 0.000 0.298 228 F C 2.525 178.356 175.800 0.052 0.000 1.094 228 F CA 1.762 59.795 58.000 0.055 0.000 1.409 228 F CB -0.289 38.791 39.000 0.132 0.000 1.064 228 F HN 0.409 nan 8.300 nan 0.000 0.528 229 A N -0.147 122.821 122.820 0.246 0.000 1.832 229 A HA -0.143 4.183 4.320 0.009 0.000 0.214 229 A C 2.281 179.864 177.584 -0.001 0.000 1.200 229 A CA 2.158 54.275 52.037 0.132 0.000 0.610 229 A CB -1.270 17.847 19.000 0.194 0.000 0.842 229 A HN 0.434 nan 8.150 nan 0.000 0.444 230 S N -3.282 112.420 115.700 0.004 0.000 2.512 230 S HA 0.435 4.910 4.470 0.009 0.000 0.216 230 S C 1.306 175.864 174.600 -0.071 0.000 1.006 230 S CA 1.123 59.305 58.200 -0.031 0.000 0.915 230 S CB 0.505 63.707 63.200 0.003 0.000 0.824 230 S HN 2.049 nan 8.310 nan 0.000 0.497 231 G N 0.865 109.609 108.800 -0.092 0.000 2.176 231 G HA2 -0.175 3.791 3.960 0.009 0.000 0.232 231 G HA3 -0.175 3.791 3.960 0.009 0.000 0.232 231 G C -0.368 174.459 174.900 -0.123 0.000 0.986 231 G CA 0.174 45.197 45.100 -0.129 0.000 0.643 231 G HN 0.610 nan 8.290 nan 0.000 0.522 232 D N 0.494 120.845 120.400 -0.082 0.000 2.471 232 D HA 0.432 5.077 4.640 0.009 0.000 0.245 232 D C 2.012 178.284 176.300 -0.048 0.000 1.116 232 D CA -0.208 53.749 54.000 -0.072 0.000 0.853 232 D CB 0.863 41.637 40.800 -0.044 0.000 1.123 232 D HN 0.388 nan 8.370 nan 0.000 0.540 233 I N 1.703 122.226 120.570 -0.078 0.000 2.335 233 I HA -0.186 3.989 4.170 0.009 0.000 0.251 233 I C 1.244 177.355 176.117 -0.010 0.000 1.129 233 I CA 0.851 62.125 61.300 -0.043 0.000 1.402 233 I CB -0.094 37.869 38.000 -0.062 0.000 1.069 233 I HN 0.115 nan 8.210 nan 0.000 0.424 234 N N 1.486 120.182 118.700 -0.007 0.000 2.207 234 N HA -0.142 4.603 4.740 0.009 0.000 0.182 234 N C 2.047 177.604 175.510 0.078 0.000 1.020 234 N CA 1.323 54.386 53.050 0.022 0.000 0.858 234 N CB -0.360 38.139 38.487 0.019 0.000 0.991 234 N HN 0.479 nan 8.380 nan 0.000 0.427 235 R N 1.160 121.701 120.500 0.068 0.000 2.092 235 R HA -0.078 4.268 4.340 0.009 0.000 0.231 235 R C 0.889 177.262 176.300 0.122 0.000 1.119 235 R CA 1.336 57.492 56.100 0.093 0.000 0.970 235 R CB 0.073 30.391 30.300 0.030 0.000 0.864 235 R HN 0.033 nan 8.270 nan 0.000 0.440 236 D N 0.112 120.563 120.400 0.085 0.000 2.178 236 D HA -0.098 4.547 4.640 0.009 0.000 0.202 236 D C 1.183 177.528 176.300 0.075 0.000 0.974 236 D CA 1.421 55.482 54.000 0.102 0.000 0.841 236 D CB 0.050 40.909 40.800 0.098 0.000 0.953 236 D HN 0.386 nan 8.370 nan 0.000 0.478 237 A N -0.839 121.999 122.820 0.030 0.000 2.308 237 A HA 0.084 4.409 4.320 0.009 0.000 0.217 237 A C 1.711 179.235 177.584 -0.100 0.000 1.216 237 A CA -0.336 51.659 52.037 -0.071 0.000 0.864 237 A CB -0.799 18.142 19.000 -0.098 0.000 0.902 237 A HN 0.265 nan 8.150 nan 0.000 0.499 238 W N 1.084 122.296 121.300 -0.148 0.000 2.302 238 W HA -0.357 4.309 4.660 0.009 0.000 0.320 238 W C 2.288 178.677 176.519 -0.216 0.000 1.241 238 W CA 3.107 60.370 57.345 -0.137 0.000 1.264 238 W CB -0.170 29.247 29.460 -0.072 0.000 1.154 238 W HN 0.372 nan 8.180 nan 0.000 0.483 239 A N -0.039 122.661 122.820 -0.200 0.000 1.883 239 A HA -0.238 4.088 4.320 0.009 0.000 0.217 239 A C 1.939 179.081 177.584 -0.738 0.000 1.186 239 A CA 1.987 53.623 52.037 -0.668 0.000 0.624 239 A CB -1.346 16.651 19.000 -1.672 0.000 0.822 239 A HN 0.514 nan 8.150 nan 0.000 0.444 240 L N -0.102 120.582 121.223 -0.898 0.000 1.989 240 L HA -0.173 4.173 4.340 0.009 0.000 0.211 240 L C 2.408 178.898 176.870 -0.632 0.000 1.071 240 L CA 2.284 56.422 54.840 -1.171 0.000 0.749 240 L CB -0.591 40.892 42.059 -0.961 0.000 0.890 240 L HN 0.359 nan 8.230 nan 0.000 0.431 241 R N -1.657 118.545 120.500 -0.496 0.000 2.120 241 R HA -0.201 4.145 4.340 0.009 0.000 0.234 241 R C 2.302 178.375 176.300 -0.378 0.000 1.123 241 R CA 1.386 57.255 56.100 -0.385 0.000 0.975 241 R CB -0.692 29.400 30.300 -0.348 0.000 0.866 241 R HN 0.584 nan 8.270 nan 0.000 0.446 242 H N 0.036 118.749 119.070 -0.595 0.000 2.326 242 H HA -0.106 4.455 4.556 0.009 0.000 0.301 242 H C 1.539 176.785 175.328 -0.136 0.000 1.081 242 H CA 1.770 57.499 56.048 -0.532 0.000 1.334 242 H CB -0.092 29.104 29.762 -0.942 0.000 1.385 242 H HN 0.017 nan 8.280 nan 0.000 0.504 243 F N 0.412 120.192 119.950 -0.283 0.000 2.095 243 F HA -0.167 4.366 4.527 0.010 0.000 0.298 243 F C 2.534 178.228 175.800 -0.178 0.000 1.104 243 F CA 1.370 59.290 58.000 -0.134 0.000 1.232 243 F CB -0.802 38.252 39.000 0.090 0.000 0.987 243 F HN 0.211 nan 8.300 nan 0.000 0.475 244 I N -0.279 120.286 120.570 -0.009 0.000 2.208 244 I HA -0.294 3.882 4.170 0.009 0.000 0.245 244 I C 2.500 178.553 176.117 -0.108 0.000 1.097 244 I CA 1.727 62.992 61.300 -0.060 0.000 1.363 244 I CB -0.530 37.411 38.000 -0.097 0.000 1.051 244 I HN 0.196 nan 8.210 nan 0.000 0.413 245 E N 0.587 120.679 120.200 -0.179 0.000 2.150 245 E HA -0.231 4.125 4.350 0.009 0.000 0.193 245 E C 1.869 178.343 176.600 -0.209 0.000 0.985 245 E CA 0.870 57.156 56.400 -0.191 0.000 0.814 245 E CB 0.162 29.721 29.700 -0.234 0.000 0.752 245 E HN 0.435 nan 8.360 nan 0.000 0.466 246 Q N -0.629 119.000 119.800 -0.285 0.000 2.482 246 Q HA 0.035 4.380 4.340 0.009 0.000 0.209 246 Q C 1.000 176.912 176.000 -0.148 0.000 0.961 246 Q CA 0.893 56.539 55.803 -0.262 0.000 0.945 246 Q CB 0.805 29.321 28.738 -0.369 0.000 1.012 246 Q HN 0.471 nan 8.270 nan 0.000 0.515 247 G N 1.301 110.036 108.800 -0.108 0.000 2.149 247 G HA2 -0.247 3.719 3.960 0.009 0.000 0.235 247 G HA3 -0.247 3.719 3.960 0.009 0.000 0.235 247 G C -0.002 174.880 174.900 -0.030 0.000 1.018 247 G CA -0.114 44.950 45.100 -0.059 0.000 0.728 247 G HN 0.323 nan 8.290 nan 0.000 0.508 248 I N 1.265 121.830 120.570 -0.008 0.000 2.304 248 I HA 0.245 4.420 4.170 0.009 0.000 0.291 248 I C -0.583 175.590 176.117 0.094 0.000 1.018 248 I CA -0.729 60.608 61.300 0.061 0.000 1.260 248 I CB 1.051 39.126 38.000 0.124 0.000 1.390 248 I HN -0.076 nan 8.210 nan 0.000 0.475 249 D N 7.322 127.770 120.400 0.080 0.000 2.393 249 D HA 0.192 4.838 4.640 0.009 0.000 0.232 249 D C 0.244 176.605 176.300 0.102 0.000 1.192 249 D CA -0.013 54.031 54.000 0.072 0.000 0.882 249 D CB 1.125 41.958 40.800 0.056 0.000 1.038 249 D HN 0.272 nan 8.370 nan 0.000 0.499 250 V N 0.465 120.446 119.914 0.112 0.000 3.403 250 V HA 0.657 4.782 4.120 0.009 0.000 0.305 250 V C 0.365 176.477 176.094 0.030 0.000 1.060 250 V CA -0.740 61.647 62.300 0.144 0.000 1.053 250 V CB 1.568 33.546 31.823 0.259 0.000 1.198 250 V HN 0.234 nan 8.190 nan 0.000 0.447 251 V N 0.645 120.559 119.914 -0.000 0.000 2.769 251 V HA 0.918 5.044 4.120 0.009 0.000 0.312 251 V C -0.828 175.224 176.094 -0.070 0.000 1.061 251 V CA -0.684 61.490 62.300 -0.210 0.000 0.931 251 V CB 1.330 32.958 31.823 -0.326 0.000 1.010 251 V HN 1.385 nan 8.190 nan 0.000 0.433 252 L N 3.001 124.132 121.223 -0.154 0.000 2.472 252 L HA 0.855 5.201 4.340 0.009 0.000 0.260 252 L C -0.635 176.364 176.870 0.216 0.000 0.963 252 L CA 0.042 54.959 54.840 0.128 0.000 0.829 252 L CB 2.229 44.281 42.059 -0.012 0.000 1.348 252 L HN 1.040 nan 8.230 nan 0.000 0.408 253 S N 2.659 118.592 115.700 0.388 0.000 2.473 253 S HA 0.736 5.212 4.470 0.009 0.000 0.307 253 S C -1.089 173.593 174.600 0.137 0.000 1.094 253 S CA -0.450 57.959 58.200 0.347 0.000 1.070 253 S CB 1.063 64.524 63.200 0.435 0.000 1.019 253 S HN 0.735 nan 8.310 nan 0.000 0.480 254 Q N 1.895 121.730 119.800 0.057 0.000 2.345 254 Q HA 0.639 4.984 4.340 0.009 0.000 0.268 254 Q C -1.094 174.826 176.000 -0.135 0.000 1.054 254 Q CA -0.739 55.001 55.803 -0.106 0.000 0.835 254 Q CB 2.162 30.768 28.738 -0.219 0.000 1.339 254 Q HN 0.569 nan 8.270 nan 0.000 0.447 255 S N 0.652 116.176 115.700 -0.293 0.000 2.526 255 S HA 0.490 4.966 4.470 0.009 0.000 0.293 255 S C -1.143 173.191 174.600 -0.443 0.000 1.092 255 S CA -0.347 57.693 58.200 -0.267 0.000 0.980 255 S CB 0.614 63.646 63.200 -0.280 0.000 1.048 255 S HN 0.662 nan 8.310 nan 0.000 0.483 256 Y N 2.423 122.657 120.300 -0.110 0.000 2.531 256 Y HA 0.376 4.931 4.550 0.009 0.000 0.249 256 Y C 1.992 177.747 175.900 -0.242 0.000 1.168 256 Y CA 0.210 58.233 58.100 -0.128 0.000 1.226 256 Y CB -0.013 38.402 38.460 -0.074 0.000 1.177 256 Y HN 0.802 nan 8.280 nan 0.000 0.527 257 A N 0.707 123.392 122.820 -0.224 0.000 1.883 257 A HA -0.235 4.091 4.320 0.009 0.000 0.217 257 A C 1.935 178.981 177.584 -0.897 0.000 1.186 257 A CA 2.173 53.915 52.037 -0.492 0.000 0.624 257 A CB -0.188 18.587 19.000 -0.375 0.000 0.822 257 A HN 0.337 nan 8.150 nan 0.000 0.444 258 K N 0.022 120.053 120.400 -0.615 0.000 2.121 258 K HA -0.035 4.291 4.320 0.009 0.000 0.203 258 K C 1.779 178.245 176.600 -0.225 0.000 1.041 258 K CA 1.047 57.009 56.287 -0.542 0.000 0.969 258 K CB -0.290 31.817 32.500 -0.655 0.000 0.799 258 K HN 0.619 nan 8.250 nan 0.000 0.456 259 N N 0.772 119.444 118.700 -0.047 0.000 2.289 259 N HA -0.150 4.595 4.740 0.009 0.000 0.184 259 N C 1.233 177.016 175.510 0.455 0.000 1.016 259 N CA 1.515 54.742 53.050 0.295 0.000 0.872 259 N CB -0.068 38.630 38.487 0.352 0.000 0.973 259 N HN 0.208 nan 8.380 nan 0.000 0.433 260 M N -1.659 118.062 119.600 0.201 0.000 2.306 260 M HA 0.284 4.770 4.480 0.009 0.000 0.292 260 M C 0.576 176.869 176.300 -0.011 0.000 1.018 260 M CA 0.290 55.654 55.300 0.106 0.000 1.007 260 M CB 0.891 33.438 32.600 -0.088 0.000 1.510 260 M HN 0.261 nan 8.290 nan 0.000 0.537 261 G N 1.836 110.579 108.800 -0.096 0.000 2.249 261 G HA2 -0.248 3.717 3.960 0.009 0.000 0.273 261 G HA3 -0.248 3.717 3.960 0.009 0.000 0.273 261 G C 0.388 175.175 174.900 -0.190 0.000 1.036 261 G CA 0.017 45.027 45.100 -0.150 0.000 0.824 261 G HN 0.500 nan 8.290 nan 0.000 0.504 262 L N -1.019 120.036 121.223 -0.281 0.000 2.627 262 L HA 0.140 4.485 4.340 0.009 0.000 0.233 262 L C 2.411 179.214 176.870 -0.113 0.000 1.144 262 L CA -0.328 54.420 54.840 -0.153 0.000 0.892 262 L CB -0.537 41.452 42.059 -0.117 0.000 1.039 262 L HN 0.364 nan 8.230 nan 0.000 0.442 263 Y N 1.131 121.430 120.300 -0.002 0.000 1.657 263 Y HA -0.441 4.115 4.550 0.009 0.000 0.129 263 Y C 2.461 178.356 175.900 -0.009 0.000 0.911 263 Y CA 1.968 60.066 58.100 -0.002 0.000 0.638 263 Y CB -1.653 36.816 38.460 0.014 0.000 0.592 263 Y HN 0.239 nan 8.280 nan 0.000 0.685 264 G N -0.989 107.917 108.800 0.177 0.000 2.559 264 G HA2 -0.126 3.840 3.960 0.009 0.000 0.216 264 G HA3 -0.126 3.840 3.960 0.009 0.000 0.216 264 G C 1.307 176.221 174.900 0.023 0.000 1.126 264 G CA 0.883 46.032 45.100 0.082 0.000 0.778 264 G HN 0.447 nan 8.290 nan 0.000 0.543 265 E N 0.474 120.674 120.200 0.000 0.000 2.285 265 E HA -0.026 4.329 4.350 0.009 0.000 0.194 265 E C 0.478 177.037 176.600 -0.069 0.000 0.997 265 E CA 0.094 56.467 56.400 -0.044 0.000 0.845 265 E CB 0.061 29.721 29.700 -0.067 0.000 0.782 265 E HN 0.225 nan 8.360 nan 0.000 0.491 266 R N -0.543 119.925 120.500 -0.053 0.000 3.076 266 R HA -0.145 4.201 4.340 0.009 0.000 0.261 266 R C -0.518 175.734 176.300 -0.080 0.000 0.930 266 R CA 0.789 56.855 56.100 -0.057 0.000 0.649 266 R CB -3.014 27.246 30.300 -0.065 0.000 1.350 266 R HN 0.146 nan 8.270 nan 0.000 0.453 267 A N 0.395 123.183 122.820 -0.054 0.000 2.303 267 A HA 0.871 5.197 4.320 0.009 0.000 0.320 267 A C 0.642 178.372 177.584 0.245 0.000 1.192 267 A CA 0.316 52.322 52.037 -0.052 0.000 0.821 267 A CB 1.907 20.792 19.000 -0.192 0.000 1.188 267 A HN 0.836 nan 8.150 nan 0.000 0.492 268 G N -0.383 108.623 108.800 0.343 0.000 2.608 268 G HA2 0.835 4.801 3.960 0.009 0.000 0.291 268 G HA3 0.835 4.801 3.960 0.009 0.000 0.291 268 G C -1.087 174.094 174.900 0.467 0.000 1.425 268 G CA 0.168 45.507 45.100 0.399 0.000 0.787 268 G HN 1.915 nan 8.290 nan 0.000 0.484 269 A N -0.906 122.112 122.820 0.331 0.000 2.594 269 A HA 0.772 5.098 4.320 0.009 0.000 0.295 269 A C -2.142 175.602 177.584 0.267 0.000 1.071 269 A CA -0.578 51.635 52.037 0.295 0.000 0.685 269 A CB 1.781 20.897 19.000 0.194 0.000 1.285 269 A HN 1.733 nan 8.150 nan 0.000 0.405 270 F N 1.385 121.397 119.950 0.104 0.000 2.467 270 F HA 0.738 5.271 4.527 0.010 0.000 0.336 270 F C -0.233 175.582 175.800 0.026 0.000 1.123 270 F CA -0.033 58.008 58.000 0.068 0.000 0.964 270 F CB 2.100 41.140 39.000 0.066 0.000 1.136 270 F HN 0.499 nan 8.300 nan 0.000 0.447 271 T N 5.489 119.604 114.554 -0.732 0.000 2.876 271 T HA 0.667 5.023 4.350 0.009 0.000 0.289 271 T C -1.219 173.001 174.700 -0.801 0.000 1.014 271 T CA -0.632 61.130 62.100 -0.564 0.000 0.986 271 T CB 1.865 70.593 68.868 -0.234 0.000 1.021 271 T HN 0.347 nan 8.240 nan 0.000 0.458 272 V N 3.803 123.413 119.914 -0.506 0.000 2.540 272 V HA 0.486 4.612 4.120 0.009 0.000 0.302 272 V C -0.492 175.524 176.094 -0.130 0.000 1.035 272 V CA -1.016 61.072 62.300 -0.352 0.000 0.873 272 V CB 1.773 33.405 31.823 -0.319 0.000 0.992 272 V HN 0.737 nan 8.190 nan 0.000 0.428 273 I N 3.425 123.956 120.570 -0.066 0.000 2.325 273 I HA 0.406 4.581 4.170 0.009 0.000 0.291 273 I C 0.211 176.337 176.117 0.015 0.000 1.019 273 I CA 0.176 61.478 61.300 0.003 0.000 1.302 273 I CB 0.977 38.983 38.000 0.010 0.000 1.401 273 I HN 0.626 nan 8.210 nan 0.000 0.485 274 C N 5.322 124.630 119.300 0.014 0.000 2.531 274 C HA 0.412 4.877 4.460 0.009 0.000 0.369 274 C C 2.142 177.140 174.990 0.013 0.000 1.258 274 C CA -0.669 58.357 59.018 0.014 0.000 1.876 274 C CB 1.985 29.717 27.740 -0.014 0.000 2.256 274 C HN 0.894 nan 8.230 nan 0.000 0.510 275 R N 0.690 121.199 120.500 0.014 0.000 2.075 275 R HA -0.034 4.311 4.340 0.009 0.000 0.232 275 R C -0.059 176.238 176.300 -0.005 0.000 1.126 275 R CA 2.253 58.357 56.100 0.008 0.000 0.963 275 R CB 0.025 30.332 30.300 0.012 0.000 0.858 275 R HN 0.962 nan 8.270 nan 0.000 0.435 276 D N -3.422 116.968 120.400 -0.016 0.000 2.759 276 D HA 0.244 4.890 4.640 0.009 0.000 0.321 276 D C 0.018 176.285 176.300 -0.055 0.000 1.267 276 D CA -0.135 53.847 54.000 -0.030 0.000 0.933 276 D CB 0.450 41.234 40.800 -0.026 0.000 1.431 276 D HN -0.057 nan 8.370 nan 0.000 0.504 277 A N -0.469 122.309 122.820 -0.070 0.000 1.930 277 A HA -0.169 4.157 4.320 0.009 0.000 0.217 277 A C 1.796 179.326 177.584 -0.089 0.000 1.175 277 A CA 1.707 53.682 52.037 -0.103 0.000 0.627 277 A CB -0.846 18.092 19.000 -0.104 0.000 0.815 277 A HN 0.606 nan 8.150 nan 0.000 0.443 278 E N 0.203 120.366 120.200 -0.062 0.000 2.051 278 E HA -0.240 4.116 4.350 0.009 0.000 0.192 278 E C 1.953 178.524 176.600 -0.048 0.000 0.991 278 E CA 1.665 58.035 56.400 -0.050 0.000 0.799 278 E CB -0.236 29.443 29.700 -0.035 0.000 0.748 278 E HN 0.782 nan 8.360 nan 0.000 0.449 279 E N -0.185 119.991 120.200 -0.040 0.000 2.106 279 E HA -0.136 4.219 4.350 0.009 0.000 0.192 279 E C 1.953 178.523 176.600 -0.050 0.000 0.984 279 E CA 0.999 57.381 56.400 -0.030 0.000 0.806 279 E CB -0.125 29.569 29.700 -0.010 0.000 0.750 279 E HN 0.266 nan 8.360 nan 0.000 0.458 280 A N 0.976 123.749 122.820 -0.078 0.000 1.908 280 A HA -0.226 4.100 4.320 0.009 0.000 0.218 280 A C 2.109 179.622 177.584 -0.120 0.000 1.181 280 A CA 1.881 53.846 52.037 -0.120 0.000 0.627 280 A CB -0.398 18.491 19.000 -0.185 0.000 0.818 280 A HN 0.100 nan 8.150 nan 0.000 0.445 281 K N -0.397 119.941 120.400 -0.104 0.000 2.097 281 K HA -0.009 4.316 4.320 0.009 0.000 0.205 281 K C 2.233 178.793 176.600 -0.066 0.000 1.050 281 K CA 1.172 57.407 56.287 -0.086 0.000 0.938 281 K CB -0.154 32.301 32.500 -0.076 0.000 0.718 281 K HN 0.480 nan 8.250 nan 0.000 0.442 282 R N -0.525 119.941 120.500 -0.057 0.000 2.066 282 R HA -0.066 4.280 4.340 0.009 0.000 0.232 282 R C 2.142 178.403 176.300 -0.066 0.000 1.131 282 R CA 1.476 57.546 56.100 -0.051 0.000 0.955 282 R CB -0.488 29.787 30.300 -0.042 0.000 0.851 282 R HN 0.004 nan 8.270 nan 0.000 0.432 283 V N 1.324 121.198 119.914 -0.066 0.000 2.343 283 V HA -0.264 3.861 4.120 0.009 0.000 0.247 283 V C 2.335 178.369 176.094 -0.099 0.000 1.051 283 V CA 1.953 64.210 62.300 -0.071 0.000 1.036 283 V CB -0.511 31.273 31.823 -0.065 0.000 0.654 283 V HN 0.414 nan 8.190 nan 0.000 0.451 284 E N 0.625 120.768 120.200 -0.095 0.000 2.058 284 E HA -0.254 4.102 4.350 0.009 0.000 0.194 284 E C 2.407 178.983 176.600 -0.040 0.000 0.997 284 E CA 1.751 58.104 56.400 -0.078 0.000 0.801 284 E CB -0.168 29.485 29.700 -0.080 0.000 0.746 284 E HN 0.727 nan 8.360 nan 0.000 0.450 285 S N 0.203 115.883 115.700 -0.034 0.000 2.383 285 S HA -0.216 4.260 4.470 0.009 0.000 0.229 285 S C 1.945 176.556 174.600 0.018 0.000 1.030 285 S CA 1.119 59.312 58.200 -0.011 0.000 1.002 285 S CB -0.250 62.942 63.200 -0.013 0.000 0.829 285 S HN 0.244 nan 8.310 nan 0.000 0.467 286 Q N 0.938 120.752 119.800 0.022 0.000 2.172 286 Q HA 0.207 4.553 4.340 0.009 0.000 0.200 286 Q C 2.369 178.485 176.000 0.194 0.000 0.964 286 Q CA 0.861 56.726 55.803 0.103 0.000 0.855 286 Q CB -0.547 28.154 28.738 -0.061 0.000 0.918 286 Q HN 0.583 nan 8.270 nan 0.000 0.444 287 L N 0.391 121.681 121.223 0.112 0.000 2.056 287 L HA -0.184 4.162 4.340 0.009 0.000 0.207 287 L C 2.309 179.218 176.870 0.065 0.000 1.078 287 L CA 1.180 56.078 54.840 0.096 0.000 0.749 287 L CB -0.219 41.834 42.059 -0.010 0.000 0.901 287 L HN 0.151 nan 8.230 nan 0.000 0.433 288 K N 0.168 120.587 120.400 0.033 0.000 2.057 288 K HA -0.144 4.182 4.320 0.009 0.000 0.207 288 K C 1.998 178.597 176.600 -0.002 0.000 1.049 288 K CA 1.292 57.580 56.287 0.002 0.000 0.931 288 K CB -0.158 32.339 32.500 -0.005 0.000 0.714 288 K HN 0.194 nan 8.250 nan 0.000 0.440 289 I N 0.685 121.278 120.570 0.038 0.000 2.286 289 I HA -0.264 3.911 4.170 0.009 0.000 0.248 289 I C 2.170 178.311 176.117 0.040 0.000 1.115 289 I CA 0.679 62.005 61.300 0.045 0.000 1.392 289 I CB -0.071 37.980 38.000 0.085 0.000 1.065 289 I HN 0.123 nan 8.210 nan 0.000 0.418 290 L N 0.574 121.844 121.223 0.078 0.000 2.072 290 L HA -0.108 4.238 4.340 0.009 0.000 0.205 290 L C 2.235 179.084 176.870 -0.035 0.000 1.079 290 L CA 1.806 56.685 54.840 0.066 0.000 0.752 290 L CB -0.279 41.887 42.059 0.178 0.000 0.906 290 L HN 0.099 nan 8.230 nan 0.000 0.436 291 I N -1.001 119.511 120.570 -0.096 0.000 2.353 291 I HA -0.248 3.928 4.170 0.009 0.000 0.248 291 I C 2.653 178.537 176.117 -0.388 0.000 1.119 291 I CA 0.926 62.048 61.300 -0.297 0.000 1.417 291 I CB -0.316 37.514 38.000 -0.284 0.000 1.078 291 I HN 0.262 nan 8.210 nan 0.000 0.421 292 R N 1.365 121.729 120.500 -0.227 0.000 2.136 292 R HA -0.198 4.147 4.340 0.009 0.000 0.242 292 R C -0.760 175.434 176.300 -0.176 0.000 1.131 292 R CA 2.332 58.316 56.100 -0.193 0.000 0.937 292 R CB -1.251 28.979 30.300 -0.117 0.000 0.863 292 R HN 0.247 nan 8.270 nan 0.000 0.435 293 P HA -0.030 nan 4.420 nan 0.000 0.242 293 P C 0.560 177.814 177.300 -0.077 0.000 1.197 293 P CA 1.160 64.211 63.100 -0.082 0.000 0.765 293 P CB 0.090 31.760 31.700 -0.050 0.000 0.936 294 M N -1.574 117.942 119.600 -0.139 0.000 2.384 294 M HA 0.068 4.554 4.480 0.009 0.000 0.258 294 M C 1.014 177.329 176.300 0.025 0.000 1.130 294 M CA 1.503 56.761 55.300 -0.070 0.000 1.187 294 M CB 0.001 32.551 32.600 -0.083 0.000 1.307 294 M HN -0.006 nan 8.290 nan 0.000 0.468 295 Y N -4.149 116.138 120.300 -0.021 0.000 2.957 295 Y HA 0.551 5.106 4.550 0.008 0.000 0.274 295 Y C 0.864 176.735 175.900 -0.047 0.000 1.065 295 Y CA -0.152 57.932 58.100 -0.026 0.000 1.273 295 Y CB -0.038 38.412 38.460 -0.016 0.000 1.358 295 Y HN 0.165 nan 8.280 nan 0.000 0.585 296 S N 0.761 116.323 115.700 -0.229 0.000 1.577 296 S HA -0.320 4.156 4.470 0.009 0.000 0.240 296 S C -0.069 174.419 174.600 -0.187 0.000 0.755 296 S CA 2.154 60.232 58.200 -0.203 0.000 1.398 296 S CB -1.442 61.652 63.200 -0.177 0.000 1.552 296 S HN 0.995 nan 8.310 nan 0.000 0.510 297 N N 1.124 119.819 118.700 -0.008 0.000 2.710 297 N HA 0.647 5.393 4.740 0.009 0.000 0.257 297 N C -3.454 172.241 175.510 0.307 0.000 1.327 297 N CA -1.468 51.636 53.050 0.091 0.000 0.861 297 N CB 1.351 39.821 38.487 -0.028 0.000 1.532 297 N HN 0.259 nan 8.380 nan 0.000 0.499 298 P HA 0.374 nan 4.420 nan 0.000 0.279 298 P C -2.644 174.673 177.300 0.029 0.000 1.252 298 P CA -1.246 61.935 63.100 0.134 0.000 0.811 298 P CB 0.103 31.880 31.700 0.128 0.000 1.035 299 P HA 0.075 nan 4.420 nan 0.000 0.271 299 P C 1.113 178.356 177.300 -0.096 0.000 1.226 299 P CA 0.062 63.125 63.100 -0.061 0.000 0.765 299 P CB 0.424 32.070 31.700 -0.090 0.000 0.835 300 M N 2.204 121.761 119.600 -0.071 0.000 2.288 300 M HA -0.116 4.370 4.480 0.009 0.000 0.266 300 M C 1.370 177.591 176.300 -0.132 0.000 1.072 300 M CA 1.473 56.716 55.300 -0.096 0.000 1.132 300 M CB -0.863 31.707 32.600 -0.049 0.000 1.386 300 M HN 0.075 nan 8.290 nan 0.000 0.432 301 N N 1.320 119.952 118.700 -0.113 0.000 2.025 301 N HA -0.098 4.648 4.740 0.009 0.000 0.194 301 N C 1.951 177.366 175.510 -0.157 0.000 1.044 301 N CA 2.640 55.621 53.050 -0.114 0.000 0.851 301 N CB -0.671 37.768 38.487 -0.080 0.000 1.036 301 N HN 0.512 nan 8.380 nan 0.000 0.422 302 G N -0.449 108.239 108.800 -0.186 0.000 2.418 302 G HA2 -0.178 3.787 3.960 0.009 0.000 0.217 302 G HA3 -0.178 3.787 3.960 0.009 0.000 0.217 302 G C 1.558 176.238 174.900 -0.366 0.000 1.158 302 G CA 1.102 46.062 45.100 -0.232 0.000 0.771 302 G HN 0.511 nan 8.290 nan 0.000 0.545 303 A N 0.718 123.238 122.820 -0.501 0.000 1.902 303 A HA -0.003 4.323 4.320 0.009 0.000 0.217 303 A C 2.438 179.800 177.584 -0.370 0.000 1.181 303 A CA 1.659 53.224 52.037 -0.787 0.000 0.623 303 A CB -0.385 18.081 19.000 -0.890 0.000 0.818 303 A HN 0.358 nan 8.150 nan 0.000 0.443 304 R N -0.561 119.798 120.500 -0.236 0.000 2.073 304 R HA -0.059 4.287 4.340 0.009 0.000 0.234 304 R C 2.036 178.258 176.300 -0.130 0.000 1.134 304 R CA 1.656 57.675 56.100 -0.135 0.000 0.952 304 R CB -0.502 29.737 30.300 -0.103 0.000 0.850 304 R HN 0.588 nan 8.270 nan 0.000 0.433 305 I N 0.487 120.963 120.570 -0.157 0.000 2.099 305 I HA -0.295 3.880 4.170 0.009 0.000 0.239 305 I C 2.650 178.651 176.117 -0.192 0.000 1.066 305 I CA 1.443 62.650 61.300 -0.154 0.000 1.324 305 I CB -0.514 37.395 38.000 -0.151 0.000 1.037 305 I HN 0.211 nan 8.210 nan 0.000 0.401 306 A N -0.235 122.436 122.820 -0.249 0.000 1.908 306 A HA -0.269 4.057 4.320 0.009 0.000 0.218 306 A C 2.501 179.954 177.584 -0.217 0.000 1.181 306 A CA 2.397 54.236 52.037 -0.329 0.000 0.627 306 A CB -0.938 17.791 19.000 -0.452 0.000 0.818 306 A HN 0.411 nan 8.150 nan 0.000 0.445 307 S N -0.992 114.668 115.700 -0.066 0.000 2.356 307 S HA -0.142 4.334 4.470 0.009 0.000 0.223 307 S C 1.902 176.463 174.600 -0.065 0.000 1.032 307 S CA 1.549 59.739 58.200 -0.017 0.000 1.005 307 S CB -0.434 62.797 63.200 0.051 0.000 0.867 307 S HN 0.354 nan 8.310 nan 0.000 0.449 308 L N 1.742 122.918 121.223 -0.078 0.000 1.989 308 L HA -0.019 4.327 4.340 0.009 0.000 0.211 308 L C 2.164 178.989 176.870 -0.076 0.000 1.071 308 L CA 1.731 56.532 54.840 -0.066 0.000 0.749 308 L CB -0.907 41.113 42.059 -0.065 0.000 0.890 308 L HN 0.409 nan 8.230 nan 0.000 0.431 309 I N -1.270 119.224 120.570 -0.125 0.000 2.127 309 I HA -0.369 3.807 4.170 0.009 0.000 0.241 309 I C 2.366 178.415 176.117 -0.114 0.000 1.075 309 I CA 1.471 62.686 61.300 -0.140 0.000 1.334 309 I CB -0.416 37.418 38.000 -0.278 0.000 1.040 309 I HN 0.215 nan 8.210 nan 0.000 0.405 310 L N 0.344 121.461 121.223 -0.176 0.000 2.046 310 L HA -0.196 4.150 4.340 0.009 0.000 0.208 310 L C 1.992 178.839 176.870 -0.039 0.000 1.077 310 L CA 1.256 56.029 54.840 -0.112 0.000 0.747 310 L CB -0.647 41.314 42.059 -0.163 0.000 0.896 310 L HN 0.339 nan 8.230 nan 0.000 0.432 311 N N -1.115 117.560 118.700 -0.042 0.000 2.422 311 N HA -0.002 4.744 4.740 0.009 0.000 0.181 311 N C 0.075 175.584 175.510 -0.001 0.000 1.080 311 N CA 0.479 53.520 53.050 -0.014 0.000 0.893 311 N CB 0.307 38.787 38.487 -0.013 0.000 0.973 311 N HN 0.213 nan 8.380 nan 0.000 0.456 312 T N 1.890 116.444 114.554 -0.001 0.000 2.821 312 T HA 0.241 4.597 4.350 0.009 0.000 0.307 312 T C -1.787 172.928 174.700 0.026 0.000 1.034 312 T CA -1.474 60.632 62.100 0.009 0.000 0.953 312 T CB 2.363 71.233 68.868 0.002 0.000 0.968 312 T HN -0.100 nan 8.240 nan 0.000 0.462 313 P HA -0.226 nan 4.420 nan 0.000 0.219 313 P C 1.521 178.848 177.300 0.045 0.000 1.158 313 P CA 1.083 64.205 63.100 0.037 0.000 0.895 313 P CB 0.364 32.081 31.700 0.028 0.000 0.792 314 E N -0.754 119.468 120.200 0.038 0.000 2.106 314 E HA -0.136 4.219 4.350 0.009 0.000 0.192 314 E C 1.856 178.490 176.600 0.056 0.000 0.984 314 E CA 1.063 57.487 56.400 0.040 0.000 0.806 314 E CB -0.879 28.839 29.700 0.030 0.000 0.750 314 E HN 0.143 nan 8.360 nan 0.000 0.458 315 L N -0.242 121.015 121.223 0.056 0.000 2.095 315 L HA 0.037 4.383 4.340 0.009 0.000 0.204 315 L C 2.785 179.738 176.870 0.138 0.000 1.080 315 L CA 0.974 55.857 54.840 0.073 0.000 0.759 315 L CB -0.397 41.681 42.059 0.032 0.000 0.914 315 L HN 0.098 nan 8.230 nan 0.000 0.439 316 R N 0.925 121.506 120.500 0.135 0.000 2.091 316 R HA -0.236 4.110 4.340 0.009 0.000 0.238 316 R C 2.299 178.746 176.300 0.244 0.000 1.136 316 R CA 1.781 58.024 56.100 0.238 0.000 0.959 316 R CB -0.045 30.360 30.300 0.174 0.000 0.856 316 R HN 0.182 nan 8.270 nan 0.000 0.437 317 K N 0.453 120.935 120.400 0.136 0.000 2.057 317 K HA -0.212 4.114 4.320 0.009 0.000 0.207 317 K C 1.997 178.643 176.600 0.078 0.000 1.049 317 K CA 1.921 58.258 56.287 0.082 0.000 0.931 317 K CB -0.043 32.488 32.500 0.053 0.000 0.714 317 K HN 0.241 nan 8.250 nan 0.000 0.440 318 E N -0.629 119.635 120.200 0.107 0.000 2.106 318 E HA -0.209 4.146 4.350 0.009 0.000 0.192 318 E C 1.731 178.421 176.600 0.150 0.000 0.984 318 E CA 1.062 57.524 56.400 0.104 0.000 0.806 318 E CB -0.233 29.527 29.700 0.101 0.000 0.750 318 E HN 0.465 nan 8.360 nan 0.000 0.458 319 W N 1.453 122.763 121.300 0.018 0.000 2.335 319 W HA -0.190 4.476 4.660 0.010 0.000 0.311 319 W C 1.622 178.158 176.519 0.029 0.000 1.213 319 W CA 1.638 58.997 57.345 0.023 0.000 1.274 319 W CB -0.571 28.901 29.460 0.019 0.000 1.148 319 W HN 0.090 nan 8.180 nan 0.000 0.498 320 L N -0.154 120.909 121.223 -0.267 0.000 2.083 320 L HA -0.249 4.096 4.340 0.009 0.000 0.209 320 L C 2.310 179.016 176.870 -0.274 0.000 1.083 320 L CA 1.298 55.873 54.840 -0.442 0.000 0.752 320 L CB -1.294 40.604 42.059 -0.269 0.000 0.899 320 L HN -0.128 nan 8.230 nan 0.000 0.433 321 V N -0.115 119.721 119.914 -0.130 0.000 2.307 321 V HA -0.242 3.884 4.120 0.009 0.000 0.245 321 V C 2.364 178.418 176.094 -0.065 0.000 1.045 321 V CA 1.797 64.053 62.300 -0.074 0.000 1.024 321 V CB -0.430 31.382 31.823 -0.018 0.000 0.651 321 V HN 0.464 nan 8.190 nan 0.000 0.449 322 E N -0.297 119.891 120.200 -0.021 0.000 2.077 322 E HA -0.190 4.166 4.350 0.009 0.000 0.193 322 E C 2.269 178.860 176.600 -0.014 0.000 0.989 322 E CA 1.374 57.808 56.400 0.057 0.000 0.800 322 E CB -0.333 29.486 29.700 0.198 0.000 0.746 322 E HN 0.417 nan 8.360 nan 0.000 0.452 323 V N 1.691 121.508 119.914 -0.161 0.000 2.407 323 V HA -0.289 3.836 4.120 0.009 0.000 0.248 323 V C 2.373 178.347 176.094 -0.200 0.000 1.055 323 V CA 2.204 64.393 62.300 -0.185 0.000 1.049 323 V CB -0.204 31.407 31.823 -0.354 0.000 0.662 323 V HN 0.143 nan 8.190 nan 0.000 0.455 324 K N 0.027 120.305 120.400 -0.204 0.000 2.057 324 K HA -0.091 4.234 4.320 0.009 0.000 0.207 324 K C 2.050 178.560 176.600 -0.150 0.000 1.049 324 K CA 1.886 58.071 56.287 -0.170 0.000 0.931 324 K CB -0.869 31.546 32.500 -0.142 0.000 0.714 324 K HN 0.517 nan 8.250 nan 0.000 0.440 325 G N 0.762 109.489 108.800 -0.121 0.000 2.442 325 G HA2 -0.244 3.721 3.960 0.009 0.000 0.219 325 G HA3 -0.244 3.721 3.960 0.009 0.000 0.219 325 G C 1.432 176.246 174.900 -0.144 0.000 1.141 325 G CA 1.110 46.149 45.100 -0.103 0.000 0.763 325 G HN 0.263 nan 8.290 nan 0.000 0.554 326 M N 0.566 120.031 119.600 -0.226 0.000 2.123 326 M HA 0.108 4.594 4.480 0.009 0.000 0.263 326 M C 3.111 179.166 176.300 -0.408 0.000 1.069 326 M CA 1.225 56.279 55.300 -0.410 0.000 1.133 326 M CB -0.256 31.933 32.600 -0.686 0.000 1.356 326 M HN 0.278 nan 8.290 nan 0.000 0.415 327 A N 0.661 123.211 122.820 -0.451 0.000 1.908 327 A HA -0.209 4.116 4.320 0.009 0.000 0.218 327 A C 1.700 179.140 177.584 -0.239 0.000 1.181 327 A CA 2.184 53.963 52.037 -0.429 0.000 0.627 327 A CB -0.817 17.995 19.000 -0.314 0.000 0.818 327 A HN 0.391 nan 8.150 nan 0.000 0.445 328 D N -0.944 119.354 120.400 -0.170 0.000 2.117 328 D HA -0.137 4.508 4.640 0.009 0.000 0.197 328 D C 2.082 178.334 176.300 -0.079 0.000 0.987 328 D CA 1.162 55.097 54.000 -0.108 0.000 0.829 328 D CB -0.328 40.419 40.800 -0.088 0.000 0.961 328 D HN 0.484 nan 8.370 nan 0.000 0.460 329 R N 0.264 120.727 120.500 -0.061 0.000 2.081 329 R HA -0.111 4.235 4.340 0.009 0.000 0.235 329 R C 2.073 178.359 176.300 -0.023 0.000 1.131 329 R CA 0.813 56.902 56.100 -0.018 0.000 0.960 329 R CB -0.068 30.264 30.300 0.053 0.000 0.856 329 R HN 0.109 nan 8.270 nan 0.000 0.436 330 I N 0.959 121.507 120.570 -0.036 0.000 2.179 330 I HA -0.266 3.909 4.170 0.009 0.000 0.242 330 I C 2.396 178.480 176.117 -0.054 0.000 1.088 330 I CA 1.343 62.615 61.300 -0.047 0.000 1.357 330 I CB -0.945 37.001 38.000 -0.089 0.000 1.051 330 I HN 0.244 nan 8.210 nan 0.000 0.409 331 I N 0.166 120.695 120.570 -0.069 0.000 2.286 331 I HA -0.311 3.865 4.170 0.009 0.000 0.248 331 I C 2.789 178.880 176.117 -0.044 0.000 1.115 331 I CA 1.364 62.632 61.300 -0.054 0.000 1.392 331 I CB -0.254 37.710 38.000 -0.061 0.000 1.065 331 I HN 0.195 nan 8.210 nan 0.000 0.418 332 S N 0.428 116.101 115.700 -0.046 0.000 2.368 332 S HA -0.162 4.314 4.470 0.009 0.000 0.225 332 S C 2.112 176.688 174.600 -0.041 0.000 1.030 332 S CA 1.201 59.377 58.200 -0.041 0.000 0.999 332 S CB 0.001 63.177 63.200 -0.040 0.000 0.844 332 S HN 0.243 nan 8.310 nan 0.000 0.459 333 M N 0.769 120.344 119.600 -0.042 0.000 2.175 333 M HA 0.017 4.503 4.480 0.009 0.000 0.264 333 M C 2.216 178.486 176.300 -0.050 0.000 1.063 333 M CA 1.197 56.470 55.300 -0.045 0.000 1.119 333 M CB -1.169 31.404 32.600 -0.045 0.000 1.377 333 M HN 0.319 nan 8.290 nan 0.000 0.415 334 R N -0.222 120.253 120.500 -0.043 0.000 2.070 334 R HA -0.094 4.252 4.340 0.009 0.000 0.233 334 R C 2.317 178.589 176.300 -0.046 0.000 1.137 334 R CA 2.009 58.085 56.100 -0.040 0.000 0.945 334 R CB -0.664 29.622 30.300 -0.023 0.000 0.845 334 R HN 0.335 nan 8.270 nan 0.000 0.430 335 T N 1.327 115.858 114.554 -0.038 0.000 2.665 335 T HA -0.214 4.142 4.350 0.009 0.000 0.268 335 T C 1.820 176.494 174.700 -0.044 0.000 1.035 335 T CA 1.577 63.656 62.100 -0.035 0.000 1.151 335 T CB -0.219 68.631 68.868 -0.030 0.000 0.862 335 T HN 0.384 nan 8.240 nan 0.000 0.438 336 Q N 0.205 119.976 119.800 -0.049 0.000 2.170 336 Q HA -0.004 4.341 4.340 0.009 0.000 0.203 336 Q C 2.352 178.306 176.000 -0.076 0.000 0.976 336 Q CA 0.869 56.640 55.803 -0.054 0.000 0.858 336 Q CB -0.355 28.355 28.738 -0.046 0.000 0.907 336 Q HN 0.331 nan 8.270 nan 0.000 0.433 337 L N 0.220 121.386 121.223 -0.094 0.000 2.027 337 L HA -0.136 4.210 4.340 0.009 0.000 0.206 337 L C 2.099 178.860 176.870 -0.182 0.000 1.074 337 L CA 1.390 56.141 54.840 -0.147 0.000 0.745 337 L CB -0.446 41.515 42.059 -0.163 0.000 0.898 337 L HN -0.026 nan 8.230 nan 0.000 0.433 338 V N -0.582 119.253 119.914 -0.132 0.000 2.261 338 V HA -0.296 3.830 4.120 0.009 0.000 0.246 338 V C 2.843 178.894 176.094 -0.071 0.000 1.047 338 V CA 1.921 64.164 62.300 -0.096 0.000 1.015 338 V CB -0.945 30.865 31.823 -0.021 0.000 0.642 338 V HN 0.741 nan 8.190 nan 0.000 0.446 339 S N 0.590 116.256 115.700 -0.057 0.000 2.370 339 S HA -0.266 4.209 4.470 0.009 0.000 0.226 339 S C 1.856 176.419 174.600 -0.062 0.000 1.033 339 S CA 2.018 60.191 58.200 -0.044 0.000 1.011 339 S CB -0.627 62.551 63.200 -0.036 0.000 0.852 339 S HN 0.665 nan 8.310 nan 0.000 0.457 340 N N 1.120 119.770 118.700 -0.083 0.000 2.309 340 N HA 0.050 4.796 4.740 0.009 0.000 0.182 340 N C 1.752 177.186 175.510 -0.126 0.000 1.018 340 N CA 1.082 54.078 53.050 -0.090 0.000 0.876 340 N CB -0.369 38.068 38.487 -0.083 0.000 0.972 340 N HN 0.441 nan 8.380 nan 0.000 0.434 341 L N 1.010 122.128 121.223 -0.176 0.000 2.179 341 L HA -0.045 4.300 4.340 0.009 0.000 0.208 341 L C 2.246 179.036 176.870 -0.133 0.000 1.096 341 L CA 0.857 55.560 54.840 -0.229 0.000 0.779 341 L CB -0.022 41.755 42.059 -0.470 0.000 0.922 341 L HN 0.043 nan 8.230 nan 0.000 0.443 342 K N 0.257 120.616 120.400 -0.069 0.000 2.031 342 K HA -0.208 4.118 4.320 0.009 0.000 0.205 342 K C 2.082 178.641 176.600 -0.068 0.000 1.049 342 K CA 1.260 57.531 56.287 -0.027 0.000 0.939 342 K CB -0.082 32.420 32.500 0.003 0.000 0.717 342 K HN 0.151 nan 8.250 nan 0.000 0.438 343 K N 1.298 121.656 120.400 -0.070 0.000 2.209 343 K HA -0.162 4.164 4.320 0.009 0.000 0.204 343 K C 1.359 177.905 176.600 -0.091 0.000 1.048 343 K CA 1.359 57.608 56.287 -0.064 0.000 0.940 343 K CB 0.149 32.620 32.500 -0.049 0.000 0.729 343 K HN 0.020 nan 8.250 nan 0.000 0.451 344 E N -0.209 119.897 120.200 -0.155 0.000 2.427 344 E HA -0.030 4.326 4.350 0.009 0.000 0.196 344 E C 0.950 177.309 176.600 -0.401 0.000 1.028 344 E CA 0.957 57.212 56.400 -0.242 0.000 0.864 344 E CB 0.423 29.934 29.700 -0.315 0.000 0.813 344 E HN 0.663 nan 8.360 nan 0.000 0.514 345 G N 1.708 110.329 108.800 -0.299 0.000 2.134 345 G HA2 -0.245 3.721 3.960 0.009 0.000 0.209 345 G HA3 -0.245 3.721 3.960 0.009 0.000 0.209 345 G C 0.324 175.101 174.900 -0.204 0.000 0.993 345 G CA 0.462 45.441 45.100 -0.202 0.000 0.669 345 G HN 0.234 nan 8.290 nan 0.000 0.519 346 S N 0.449 115.985 115.700 -0.273 0.000 2.510 346 S HA 0.501 4.977 4.470 0.009 0.000 0.279 346 S C 1.740 176.398 174.600 0.096 0.000 1.284 346 S CA 0.865 59.099 58.200 0.056 0.000 1.059 346 S CB 0.827 64.195 63.200 0.279 0.000 0.901 346 S HN 1.433 nan 8.310 nan 0.000 0.491 347 S N 4.363 120.068 115.700 0.007 0.000 2.524 347 S HA 0.110 4.585 4.470 0.009 0.000 0.216 347 S C 0.644 175.146 174.600 -0.163 0.000 0.987 347 S CA -0.222 57.922 58.200 -0.095 0.000 0.909 347 S CB -0.289 62.833 63.200 -0.131 0.000 0.781 347 S HN 0.831 nan 8.310 nan 0.000 0.521 348 H N 2.415 121.498 119.070 0.022 0.000 2.671 348 H HA 0.279 4.841 4.556 0.009 0.000 0.372 348 H C -0.025 175.111 175.328 -0.320 0.000 1.227 348 H CA 0.057 55.964 56.048 -0.235 0.000 1.426 348 H CB 0.215 29.635 29.762 -0.570 0.000 1.480 348 H HN 0.273 nan 8.280 nan 0.000 0.611 349 N N 0.981 119.547 118.700 -0.223 0.000 2.414 349 N HA -0.024 4.721 4.740 0.009 0.000 0.256 349 N C -0.625 174.754 175.510 -0.218 0.000 1.029 349 N CA -0.237 52.735 53.050 -0.131 0.000 0.948 349 N CB 0.180 38.636 38.487 -0.053 0.000 1.102 349 N HN 0.513 nan 8.380 nan 0.000 0.496 350 W N 1.918 123.283 121.300 0.108 0.000 2.818 350 W HA 0.171 4.837 4.660 0.009 0.000 0.403 350 W C 1.647 178.086 176.519 -0.134 0.000 0.991 350 W CA -0.420 56.902 57.345 -0.039 0.000 1.925 350 W CB 0.408 29.827 29.460 -0.067 0.000 1.166 350 W HN 0.647 nan 8.180 nan 0.000 0.605 351 Q N 0.191 120.092 119.800 0.168 0.000 2.291 351 Q HA -0.271 4.075 4.340 0.009 0.000 0.206 351 Q C 1.951 178.015 176.000 0.107 0.000 0.976 351 Q CA 1.983 57.852 55.803 0.110 0.000 0.875 351 Q CB -0.798 27.993 28.738 0.089 0.000 0.927 351 Q HN 0.469 nan 8.270 nan 0.000 0.450 352 H N 0.776 119.919 119.070 0.123 0.000 2.422 352 H HA -0.082 4.479 4.556 0.009 0.000 0.298 352 H C 1.869 177.293 175.328 0.159 0.000 1.098 352 H CA 1.332 57.457 56.048 0.128 0.000 1.315 352 H CB -0.568 29.277 29.762 0.139 0.000 1.382 352 H HN 0.357 nan 8.280 nan 0.000 0.523 353 I N 1.957 122.407 120.570 -0.201 0.000 2.208 353 I HA -0.237 3.938 4.170 0.009 0.000 0.245 353 I C 2.408 178.531 176.117 0.009 0.000 1.097 353 I CA 2.096 63.351 61.300 -0.076 0.000 1.363 353 I CB -0.322 37.608 38.000 -0.117 0.000 1.051 353 I HN 0.429 nan 8.210 nan 0.000 0.413 354 T N -3.344 111.218 114.554 0.014 0.000 3.054 354 T HA -0.005 4.350 4.350 0.009 0.000 0.259 354 T C 1.385 176.108 174.700 0.038 0.000 1.092 354 T CA 0.438 62.551 62.100 0.021 0.000 1.121 354 T CB -0.152 68.723 68.868 0.011 0.000 0.912 354 T HN 0.172 nan 8.240 nan 0.000 0.489 355 D N 1.528 121.966 120.400 0.063 0.000 2.234 355 D HA 0.059 4.704 4.640 0.009 0.000 0.205 355 D C 0.972 177.321 176.300 0.082 0.000 0.962 355 D CA 0.546 54.586 54.000 0.066 0.000 0.855 355 D CB -0.068 40.777 40.800 0.074 0.000 0.951 355 D HN 0.552 nan 8.370 nan 0.000 0.500 356 Q N 0.088 119.955 119.800 0.111 0.000 2.394 356 Q HA 0.450 4.795 4.340 0.009 0.000 0.248 356 Q C -0.177 175.881 176.000 0.097 0.000 0.992 356 Q CA 0.216 56.099 55.803 0.132 0.000 0.888 356 Q CB 1.693 30.543 28.738 0.186 0.000 1.257 356 Q HN 0.085 nan 8.270 nan 0.000 0.462 357 I N 0.563 121.198 120.570 0.108 0.000 2.608 357 I HA 0.626 4.802 4.170 0.009 0.000 0.295 357 I C 0.369 176.527 176.117 0.068 0.000 1.049 357 I CA -0.311 61.038 61.300 0.081 0.000 1.063 357 I CB 2.085 40.148 38.000 0.104 0.000 1.248 357 I HN 0.835 nan 8.210 nan 0.000 0.424 358 G N 4.109 112.924 108.800 0.025 0.000 2.548 358 G HA2 -0.257 3.708 3.960 0.009 0.000 0.208 358 G HA3 -0.257 3.708 3.960 0.009 0.000 0.208 358 G C 0.176 175.064 174.900 -0.020 0.000 1.308 358 G CA 0.176 45.274 45.100 -0.003 0.000 0.924 358 G HN 0.678 nan 8.290 nan 0.000 0.540 359 M N -0.791 118.757 119.600 -0.087 0.000 2.254 359 M HA 0.359 4.844 4.480 0.009 0.000 0.265 359 M C 0.435 176.469 176.300 -0.442 0.000 1.066 359 M CA 1.324 56.467 55.300 -0.262 0.000 1.123 359 M CB -0.042 32.277 32.600 -0.468 0.000 1.388 359 M HN 0.322 nan 8.290 nan 0.000 0.425 360 F N -0.604 119.368 119.950 0.036 0.000 2.422 360 F HA 0.427 4.959 4.527 0.009 0.000 0.333 360 F C -0.127 175.748 175.800 0.124 0.000 1.095 360 F CA -1.257 56.792 58.000 0.081 0.000 1.038 360 F CB 1.195 40.243 39.000 0.080 0.000 1.156 360 F HN -0.099 nan 8.300 nan 0.000 0.483 361 C N 4.340 123.864 119.300 0.374 0.000 2.481 361 C HA 0.600 5.065 4.460 0.009 0.000 0.324 361 C C -1.106 174.125 174.990 0.402 0.000 1.170 361 C CA -0.963 58.247 59.018 0.321 0.000 1.361 361 C CB -0.545 27.314 27.740 0.198 0.000 1.977 361 C HN 0.646 nan 8.230 nan 0.000 0.459 362 F N 5.338 125.395 119.950 0.177 0.000 2.368 362 F HA 0.290 4.823 4.527 0.009 0.000 0.362 362 F C 1.920 177.894 175.800 0.289 0.000 1.137 362 F CA 0.125 58.207 58.000 0.137 0.000 1.161 362 F CB 1.508 40.485 39.000 -0.038 0.000 1.265 362 F HN 0.815 nan 8.300 nan 0.000 0.530 363 T N -0.273 114.428 114.554 0.245 0.000 2.951 363 T HA 0.140 4.495 4.350 0.009 0.000 0.268 363 T C 1.788 176.740 174.700 0.419 0.000 1.073 363 T CA 0.865 63.199 62.100 0.390 0.000 1.134 363 T CB -0.313 68.693 68.868 0.230 0.000 0.884 363 T HN 0.961 nan 8.240 nan 0.000 0.479 364 G N 1.059 109.954 108.800 0.159 0.000 2.176 364 G HA2 -0.205 3.761 3.960 0.009 0.000 0.253 364 G HA3 -0.205 3.761 3.960 0.009 0.000 0.253 364 G C -0.001 174.911 174.900 0.019 0.000 0.979 364 G CA 0.085 45.222 45.100 0.062 0.000 0.641 364 G HN 0.648 nan 8.290 nan 0.000 0.530 365 L N 0.628 121.882 121.223 0.050 0.000 2.483 365 L HA 0.347 4.692 4.340 0.009 0.000 0.276 365 L C 1.070 177.925 176.870 -0.025 0.000 1.213 365 L CA 0.144 54.999 54.840 0.026 0.000 0.843 365 L CB 0.440 42.524 42.059 0.041 0.000 1.107 365 L HN 0.144 nan 8.230 nan 0.000 0.487 366 K N 2.984 123.371 120.400 -0.021 0.000 2.087 366 K HA 0.261 4.587 4.320 0.009 0.000 0.255 366 K C -1.755 174.833 176.600 -0.019 0.000 0.988 366 K CA -1.558 54.716 56.287 -0.022 0.000 0.915 366 K CB 0.662 33.153 32.500 -0.017 0.000 1.043 366 K HN 0.207 nan 8.250 nan 0.000 0.457 367 P HA -0.266 nan 4.420 nan 0.000 0.216 367 P C 0.744 178.043 177.300 -0.002 0.000 1.153 367 P CA 1.401 64.495 63.100 -0.010 0.000 0.858 367 P CB 0.161 31.859 31.700 -0.004 0.000 0.789 368 E N 0.132 120.332 120.200 0.000 0.000 2.204 368 E HA -0.209 4.147 4.350 0.009 0.000 0.195 368 E C 1.807 178.410 176.600 0.005 0.000 0.990 368 E CA 1.160 57.562 56.400 0.004 0.000 0.821 368 E CB -0.986 28.717 29.700 0.005 0.000 0.750 368 E HN 0.460 nan 8.360 nan 0.000 0.477 369 Q N 0.779 120.580 119.800 0.001 0.000 2.049 369 Q HA -0.030 4.316 4.340 0.009 0.000 0.198 369 Q C 2.574 178.573 176.000 -0.001 0.000 0.971 369 Q CA 1.276 57.080 55.803 0.002 0.000 0.833 369 Q CB -0.097 28.641 28.738 0.000 0.000 0.896 369 Q HN 0.139 nan 8.270 nan 0.000 0.434 370 V N 1.738 121.647 119.914 -0.008 0.000 2.332 370 V HA -0.285 3.841 4.120 0.009 0.000 0.248 370 V C 2.072 178.162 176.094 -0.007 0.000 1.055 370 V CA 1.958 64.250 62.300 -0.014 0.000 1.038 370 V CB -0.564 31.250 31.823 -0.015 0.000 0.651 370 V HN 0.359 nan 8.190 nan 0.000 0.450 371 E N -0.202 120.000 120.200 0.004 0.000 2.038 371 E HA -0.236 4.120 4.350 0.009 0.000 0.195 371 E C 2.529 179.135 176.600 0.010 0.000 1.000 371 E CA 1.377 57.783 56.400 0.010 0.000 0.803 371 E CB -0.182 29.527 29.700 0.014 0.000 0.750 371 E HN 0.536 nan 8.360 nan 0.000 0.448 372 R N 0.387 120.899 120.500 0.020 0.000 2.091 372 R HA -0.155 4.191 4.340 0.009 0.000 0.238 372 R C 2.561 178.913 176.300 0.087 0.000 1.136 372 R CA 0.984 57.110 56.100 0.044 0.000 0.959 372 R CB -0.487 29.847 30.300 0.057 0.000 0.856 372 R HN 0.234 nan 8.270 nan 0.000 0.437 373 L N 0.051 121.315 121.223 0.069 0.000 2.042 373 L HA -0.200 4.146 4.340 0.009 0.000 0.210 373 L C 2.394 179.269 176.870 0.008 0.000 1.076 373 L CA 1.575 56.462 54.840 0.079 0.000 0.749 373 L CB -0.612 41.429 42.059 -0.031 0.000 0.893 373 L HN 0.261 nan 8.230 nan 0.000 0.432 374 T N -1.015 113.482 114.554 -0.095 0.000 2.701 374 T HA -0.163 4.193 4.350 0.009 0.000 0.263 374 T C 1.934 176.535 174.700 -0.164 0.000 1.040 374 T CA 1.105 63.036 62.100 -0.282 0.000 1.147 374 T CB -0.026 68.724 68.868 -0.197 0.000 0.865 374 T HN 0.070 nan 8.240 nan 0.000 0.426 375 K N 1.289 121.657 120.400 -0.054 0.000 2.032 375 K HA -0.059 4.267 4.320 0.009 0.000 0.209 375 K C 2.268 178.830 176.600 -0.062 0.000 1.048 375 K CA 1.406 57.676 56.287 -0.028 0.000 0.927 375 K CB -0.078 32.414 32.500 -0.014 0.000 0.712 375 K HN 0.517 nan 8.250 nan 0.000 0.441 376 E N -1.856 118.285 120.200 -0.099 0.000 2.364 376 E HA 0.059 4.415 4.350 0.009 0.000 0.196 376 E C 0.921 177.223 176.600 -0.497 0.000 0.990 376 E CA 0.414 56.633 56.400 -0.301 0.000 0.886 376 E CB 0.249 29.687 29.700 -0.436 0.000 0.866 376 E HN 0.231 nan 8.360 nan 0.000 0.493 377 F N 0.216 120.160 119.950 -0.011 0.000 2.746 377 F HA 0.249 4.782 4.527 0.009 0.000 0.313 377 F C 0.489 176.367 175.800 0.129 0.000 1.095 377 F CA -0.202 57.835 58.000 0.062 0.000 1.224 377 F CB 0.923 39.859 39.000 -0.108 0.000 1.060 377 F HN -0.300 nan 8.300 nan 0.000 0.584 378 S N 1.220 116.983 115.700 0.105 0.000 3.812 378 S HA -0.184 4.292 4.470 0.009 0.000 0.341 378 S C -0.166 174.407 174.600 -0.045 0.000 1.057 378 S CA 0.076 58.279 58.200 0.004 0.000 1.015 378 S CB -1.964 61.351 63.200 0.191 0.000 0.893 378 S HN 0.282 nan 8.310 nan 0.000 0.476 379 I N 1.993 122.442 120.570 -0.201 0.000 2.354 379 I HA 0.370 4.546 4.170 0.009 0.000 0.286 379 I C -0.381 175.548 176.117 -0.314 0.000 1.007 379 I CA -0.455 60.777 61.300 -0.113 0.000 1.167 379 I CB 0.783 38.762 38.000 -0.036 0.000 1.320 379 I HN 0.176 nan 8.210 nan 0.000 0.458 380 Y N 7.818 128.205 120.300 0.144 0.000 2.341 380 Y HA 0.642 5.198 4.550 0.010 0.000 0.340 380 Y C 0.366 176.293 175.900 0.044 0.000 0.997 380 Y CA -0.612 57.554 58.100 0.110 0.000 1.149 380 Y CB 1.099 39.668 38.460 0.181 0.000 1.171 380 Y HN 0.476 nan 8.280 nan 0.000 0.494 381 M N -0.101 119.595 119.600 0.160 0.000 2.773 381 M HA 0.607 5.093 4.480 0.009 0.000 0.270 381 M C -0.903 175.446 176.300 0.082 0.000 1.238 381 M CA -1.116 54.240 55.300 0.094 0.000 0.832 381 M CB 1.884 34.508 32.600 0.040 0.000 1.672 381 M HN 0.409 nan 8.290 nan 0.000 0.480 382 T N -1.503 113.082 114.554 0.052 0.000 2.899 382 T HA 0.362 4.718 4.350 0.009 0.000 0.295 382 T C 0.517 175.214 174.700 -0.006 0.000 1.033 382 T CA -0.556 61.562 62.100 0.031 0.000 1.084 382 T CB 1.206 70.090 68.868 0.027 0.000 0.979 382 T HN 0.829 nan 8.240 nan 0.000 0.532 383 K N 0.506 120.904 120.400 -0.002 0.000 2.515 383 K HA -0.056 4.270 4.320 0.009 0.000 0.196 383 K C 1.486 178.051 176.600 -0.059 0.000 1.038 383 K CA 0.825 57.101 56.287 -0.018 0.000 0.967 383 K CB -0.091 32.410 32.500 0.002 0.000 0.780 383 K HN 0.758 nan 8.250 nan 0.000 0.483 384 D N -1.456 118.886 120.400 -0.097 0.000 2.349 384 D HA 0.025 4.670 4.640 0.009 0.000 0.224 384 D C 1.032 177.079 176.300 -0.421 0.000 1.029 384 D CA 0.709 54.594 54.000 -0.192 0.000 0.879 384 D CB -0.006 40.717 40.800 -0.127 0.000 0.906 384 D HN 0.154 nan 8.370 nan 0.000 0.528 385 G N 0.824 109.448 108.800 -0.292 0.000 2.159 385 G HA2 -0.340 3.626 3.960 0.009 0.000 0.256 385 G HA3 -0.340 3.626 3.960 0.009 0.000 0.256 385 G C 0.246 174.947 174.900 -0.333 0.000 0.977 385 G CA 0.068 45.000 45.100 -0.280 0.000 0.652 385 G HN 0.584 nan 8.290 nan 0.000 0.531 386 R N 0.743 121.031 120.500 -0.353 0.000 2.347 386 R HA 0.574 4.920 4.340 0.009 0.000 0.304 386 R C 0.658 176.989 176.300 0.052 0.000 1.072 386 R CA -0.152 55.875 56.100 -0.122 0.000 0.980 386 R CB 0.104 30.422 30.300 0.030 0.000 0.986 386 R HN 0.698 nan 8.270 nan 0.000 0.448 387 I N 0.103 120.758 120.570 0.141 0.000 2.689 387 I HA 0.390 4.566 4.170 0.009 0.000 0.299 387 I C -0.655 175.597 176.117 0.224 0.000 1.059 387 I CA -0.777 60.605 61.300 0.137 0.000 1.055 387 I CB 2.320 40.357 38.000 0.062 0.000 1.243 387 I HN 0.428 nan 8.210 nan 0.000 0.425 388 S N 3.830 119.631 115.700 0.168 0.000 2.422 388 S HA 0.346 4.822 4.470 0.009 0.000 0.298 388 S C 0.783 175.375 174.600 -0.012 0.000 1.118 388 S CA -0.666 57.577 58.200 0.071 0.000 1.083 388 S CB 1.279 64.523 63.200 0.074 0.000 0.971 388 S HN 0.559 nan 8.310 nan 0.000 0.478 389 V N 5.643 125.530 119.914 -0.044 0.000 2.759 389 V HA -0.083 4.043 4.120 0.009 0.000 0.256 389 V C 2.696 178.756 176.094 -0.057 0.000 1.080 389 V CA 1.854 64.132 62.300 -0.037 0.000 1.101 389 V CB -1.389 30.419 31.823 -0.025 0.000 0.698 389 V HN 0.952 nan 8.190 nan 0.000 0.477 390 A N 0.973 123.750 122.820 -0.070 0.000 1.978 390 A HA -0.095 4.231 4.320 0.009 0.000 0.220 390 A C 2.326 179.822 177.584 -0.146 0.000 1.170 390 A CA 1.763 53.736 52.037 -0.107 0.000 0.636 390 A CB -0.888 18.071 19.000 -0.069 0.000 0.810 390 A HN 0.546 nan 8.150 nan 0.000 0.448 391 G N -1.056 107.682 108.800 -0.103 0.000 2.650 391 G HA2 0.266 4.232 3.960 0.009 0.000 0.214 391 G HA3 0.266 4.232 3.960 0.009 0.000 0.214 391 G C 0.431 175.287 174.900 -0.073 0.000 1.136 391 G CA 0.646 45.686 45.100 -0.099 0.000 0.789 391 G HN 0.284 nan 8.290 nan 0.000 0.536 392 V N 0.914 120.787 119.914 -0.067 0.000 2.465 392 V HA 0.681 4.806 4.120 0.009 0.000 0.279 392 V C 0.354 176.412 176.094 -0.061 0.000 1.045 392 V CA -0.482 61.788 62.300 -0.049 0.000 0.938 392 V CB 0.944 32.739 31.823 -0.046 0.000 0.986 392 V HN 0.375 nan 8.190 nan 0.000 0.467 393 A N 3.097 125.892 122.820 -0.042 0.000 2.430 393 A HA 0.666 4.991 4.320 0.009 0.000 0.300 393 A C 1.072 178.639 177.584 -0.029 0.000 1.124 393 A CA 0.129 52.139 52.037 -0.045 0.000 0.766 393 A CB 1.579 20.552 19.000 -0.044 0.000 1.328 393 A HN 1.044 nan 8.150 nan 0.000 0.424 394 S N 0.243 115.924 115.700 -0.031 0.000 2.419 394 S HA -0.178 4.298 4.470 0.009 0.000 0.235 394 S C 1.520 176.110 174.600 -0.015 0.000 1.019 394 S CA 2.150 60.335 58.200 -0.025 0.000 0.982 394 S CB -0.689 62.495 63.200 -0.027 0.000 0.789 394 S HN 1.230 nan 8.310 nan 0.000 0.490 395 S N 2.728 118.420 115.700 -0.013 0.000 2.461 395 S HA 0.011 4.487 4.470 0.009 0.000 0.228 395 S C 1.357 175.962 174.600 0.009 0.000 1.005 395 S CA 0.661 58.857 58.200 -0.006 0.000 0.942 395 S CB -0.550 62.643 63.200 -0.011 0.000 0.776 395 S HN 0.885 nan 8.310 nan 0.000 0.514 396 N N 0.258 118.973 118.700 0.024 0.000 2.159 396 N HA 0.161 4.907 4.740 0.009 0.000 0.217 396 N C 1.016 176.578 175.510 0.086 0.000 1.223 396 N CA 0.091 53.186 53.050 0.074 0.000 0.896 396 N CB -0.259 38.280 38.487 0.087 0.000 1.064 396 N HN 0.185 nan 8.380 nan 0.000 0.518 397 V N 0.631 120.561 119.914 0.027 0.000 2.392 397 V HA -0.049 4.076 4.120 0.009 0.000 0.249 397 V C 2.017 178.106 176.094 -0.009 0.000 1.059 397 V CA 2.399 64.694 62.300 -0.008 0.000 1.051 397 V CB -0.986 30.817 31.823 -0.033 0.000 0.658 397 V HN 0.446 nan 8.190 nan 0.000 0.455 398 G N -1.580 107.232 108.800 0.020 0.000 2.421 398 G HA2 -0.352 3.614 3.960 0.009 0.000 0.216 398 G HA3 -0.352 3.614 3.960 0.009 0.000 0.216 398 G C 1.521 176.460 174.900 0.065 0.000 1.171 398 G CA 1.181 46.295 45.100 0.023 0.000 0.775 398 G HN 0.626 nan 8.290 nan 0.000 0.543 399 Y N 0.884 121.173 120.300 -0.018 0.000 2.145 399 Y HA -0.090 4.466 4.550 0.009 0.000 0.286 399 Y C 2.456 178.343 175.900 -0.023 0.000 1.145 399 Y CA 1.568 59.675 58.100 0.011 0.000 1.148 399 Y CB -0.426 38.052 38.460 0.029 0.000 0.981 399 Y HN 0.137 nan 8.280 nan 0.000 0.507 400 L N 0.699 121.848 121.223 -0.123 0.000 2.083 400 L HA -0.068 4.277 4.340 0.009 0.000 0.209 400 L C 2.377 179.061 176.870 -0.310 0.000 1.083 400 L CA 2.148 56.832 54.840 -0.261 0.000 0.752 400 L CB -1.421 40.565 42.059 -0.122 0.000 0.899 400 L HN 0.271 nan 8.230 nan 0.000 0.433 401 A N -1.381 121.309 122.820 -0.218 0.000 1.898 401 A HA -0.282 4.043 4.320 0.009 0.000 0.216 401 A C 2.289 179.755 177.584 -0.197 0.000 1.181 401 A CA 1.687 53.583 52.037 -0.234 0.000 0.620 401 A CB -1.022 17.876 19.000 -0.170 0.000 0.819 401 A HN 0.715 nan 8.150 nan 0.000 0.442 402 H N 0.075 118.999 119.070 -0.244 0.000 2.321 402 H HA 0.014 4.576 4.556 0.009 0.000 0.300 402 H C 2.184 177.271 175.328 -0.401 0.000 1.087 402 H CA 2.126 58.053 56.048 -0.202 0.000 1.319 402 H CB -0.324 29.358 29.762 -0.133 0.000 1.379 402 H HN 0.372 nan 8.280 nan 0.000 0.501 403 A N 0.727 123.053 122.820 -0.822 0.000 1.877 403 A HA -0.126 4.199 4.320 0.009 0.000 0.216 403 A C 2.629 179.698 177.584 -0.858 0.000 1.186 403 A CA 1.751 52.901 52.037 -1.478 0.000 0.620 403 A CB -0.908 17.145 19.000 -1.579 0.000 0.822 403 A HN 0.535 nan 8.150 nan 0.000 0.443 404 I N -1.309 118.941 120.570 -0.534 0.000 2.286 404 I HA -0.270 3.906 4.170 0.009 0.000 0.248 404 I C 2.536 178.548 176.117 -0.175 0.000 1.115 404 I CA 1.821 62.924 61.300 -0.328 0.000 1.392 404 I CB -0.428 37.341 38.000 -0.385 0.000 1.065 404 I HN 0.584 nan 8.210 nan 0.000 0.418 405 H N 0.858 119.760 119.070 -0.281 0.000 2.326 405 H HA -0.060 4.501 4.556 0.009 0.000 0.301 405 H C 1.466 176.720 175.328 -0.123 0.000 1.081 405 H CA 1.104 57.075 56.048 -0.129 0.000 1.334 405 H CB -0.020 29.660 29.762 -0.136 0.000 1.385 405 H HN 0.127 nan 8.280 nan 0.000 0.504 409 T N -1.121 113.433 114.554 -0.000 0.000 3.014 409 T HA 0.185 4.541 4.350 0.009 0.000 0.250 409 T C 0.963 175.772 174.700 0.180 0.000 1.060 409 T CA 0.525 62.692 62.100 0.111 0.000 1.040 409 T CB 0.148 69.149 68.868 0.221 0.000 0.971 409 T HN 0.668 nan 8.240 nan 0.000 0.497 410 K N 0.000 120.399 120.400 -0.001 0.000 2.780 410 K HA 0.000 4.326 4.320 0.009 0.000 0.191 410 K CA 0.000 56.263 56.287 -0.041 0.000 0.838 410 K CB 0.000 32.323 32.500 -0.295 0.000 1.064 410 K HN 0.000 nan 8.250 nan 0.000 0.543