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 2e7t_1_B DATA FIRST_RESID 1 DATA SEQUENCE KTISFNFNQF HQNEEQLKLQ RDARISSNSV LELTKVVNGV PTWNSTGRAL DATA SEQUENCE YAKPVQVWDS TTGNVASFET RFSFSIRQPF PRPHPADGLV FFIAPPNTQT DATA SEQUENCE GEGGGYFGIY NPLSPYPFVA VEFDTFRNTW DPQIPHIGID VNSVISTKTV DATA SEQUENCE PFTLDNGGIA NVVIKYDAST KILHVVLVFP SLGTIYTIAD IVDLKQVLPE DATA SEQUENCE SVNVGFSAAT GDPSGKQRNA TETHDILSWS FSASLPG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 K HA 0.000 nan 4.320 nan 0.000 0.191 1 K C 0.000 176.632 176.600 0.052 0.000 0.988 1 K CA 0.000 56.315 56.287 0.047 0.000 0.838 1 K CB 0.000 32.532 32.500 0.053 0.000 1.064 2 T N 2.968 117.548 114.554 0.043 0.000 2.841 2 T HA 0.719 5.069 4.350 0.000 0.000 0.285 2 T C -1.096 173.630 174.700 0.042 0.000 0.991 2 T CA -0.561 61.561 62.100 0.038 0.000 0.966 2 T CB 0.359 69.235 68.868 0.014 0.000 0.962 2 T HN 0.810 nan 8.240 nan 0.000 0.438 3 I N 4.449 125.055 120.570 0.059 0.000 2.646 3 I HA 0.854 5.024 4.170 0.000 0.000 0.299 3 I C -0.927 175.208 176.117 0.031 0.000 1.036 3 I CA -0.239 61.109 61.300 0.080 0.000 1.074 3 I CB 1.865 39.953 38.000 0.148 0.000 1.258 3 I HN 0.873 nan 8.210 nan 0.000 0.430 4 S N 6.326 122.030 115.700 0.007 0.000 2.578 4 S HA 0.757 5.227 4.470 0.000 0.000 0.272 4 S C -1.266 173.266 174.600 -0.113 0.000 1.145 4 S CA -0.718 57.389 58.200 -0.155 0.000 0.835 4 S CB 1.614 64.707 63.200 -0.178 0.000 1.104 4 S HN 0.787 nan 8.310 nan 0.000 0.458 5 F N -0.520 119.293 119.950 -0.229 0.000 2.668 5 F HA 0.887 5.414 4.527 0.000 0.000 0.309 5 F C -1.155 174.414 175.800 -0.385 0.000 1.117 5 F CA -0.900 56.884 58.000 -0.360 0.000 0.951 5 F CB 1.247 39.926 39.000 -0.535 0.000 1.323 5 F HN 0.816 nan 8.300 nan 0.000 0.451 6 N N 0.712 119.289 118.700 -0.205 0.000 2.336 6 N HA 0.596 5.336 4.740 0.000 0.000 0.290 6 N C -2.382 172.917 175.510 -0.353 0.000 1.058 6 N CA -0.515 52.420 53.050 -0.193 0.000 0.865 6 N CB 1.506 39.910 38.487 -0.139 0.000 1.581 6 N HN 0.613 nan 8.380 nan 0.000 0.480 7 F N 2.274 122.224 119.950 -0.001 0.000 2.366 7 F HA 0.411 4.938 4.527 0.000 0.000 0.366 7 F C 1.010 176.674 175.800 -0.227 0.000 1.096 7 F CA -0.682 57.218 58.000 -0.166 0.000 1.060 7 F CB 1.361 40.180 39.000 -0.301 0.000 1.282 7 F HN 0.571 nan 8.300 nan 0.000 0.450 8 N N 1.643 120.302 118.700 -0.068 0.000 2.412 8 N HA 0.023 4.763 4.740 0.000 0.000 0.184 8 N C 0.100 175.536 175.510 -0.122 0.000 1.101 8 N CA 0.242 53.256 53.050 -0.060 0.000 0.881 8 N CB 0.427 38.892 38.487 -0.036 0.000 0.969 8 N HN 0.616 nan 8.380 nan 0.000 0.459 9 Q N -0.885 118.758 119.800 -0.262 0.000 2.738 9 Q HA 0.371 4.711 4.340 0.000 0.000 0.301 9 Q C -1.902 173.749 176.000 -0.581 0.000 0.901 9 Q CA -0.677 54.942 55.803 -0.307 0.000 0.756 9 Q CB 0.996 29.648 28.738 -0.142 0.000 1.463 9 Q HN -0.063 nan 8.270 nan 0.000 0.432 10 F N 1.035 120.930 119.950 -0.090 0.000 2.540 10 F HA 0.505 5.032 4.527 0.000 0.000 0.317 10 F C -0.213 175.507 175.800 -0.132 0.000 1.104 10 F CA -0.578 57.347 58.000 -0.124 0.000 0.913 10 F CB 1.612 40.578 39.000 -0.057 0.000 1.170 10 F HN 0.416 nan 8.300 nan 0.000 0.450 11 H N 0.847 120.088 119.070 0.285 0.000 2.525 11 H HA 0.292 4.848 4.556 0.000 0.000 0.340 11 H C -0.448 174.966 175.328 0.143 0.000 1.168 11 H CA -0.824 55.330 56.048 0.177 0.000 1.247 11 H CB 1.412 31.262 29.762 0.146 0.000 1.568 11 H HN 0.504 nan 8.280 nan 0.000 0.536 12 Q N 0.538 120.480 119.800 0.237 0.000 2.395 12 Q HA 0.166 4.506 4.340 0.000 0.000 0.271 12 Q C 0.493 176.569 176.000 0.127 0.000 1.026 12 Q CA 1.028 56.913 55.803 0.137 0.000 0.900 12 Q CB -0.044 28.753 28.738 0.097 0.000 1.266 12 Q HN 0.942 nan 8.270 nan 0.000 0.430 13 N N 2.092 120.843 118.700 0.083 0.000 2.671 13 N HA -0.173 4.567 4.740 0.000 0.000 0.261 13 N C -0.725 174.845 175.510 0.100 0.000 1.053 13 N CA 0.832 53.922 53.050 0.068 0.000 0.732 13 N CB -1.484 37.034 38.487 0.053 0.000 0.887 13 N HN 0.567 nan 8.380 nan 0.000 0.546 14 E N -0.140 120.126 120.200 0.110 0.000 2.159 14 E HA 0.083 4.433 4.350 0.000 0.000 0.272 14 E C 1.333 177.995 176.600 0.102 0.000 1.138 14 E CA -0.055 56.438 56.400 0.154 0.000 0.915 14 E CB 0.720 30.515 29.700 0.160 0.000 1.028 14 E HN 0.849 nan 8.360 nan 0.000 0.423 15 E N 3.200 123.465 120.200 0.108 0.000 2.160 15 E HA -0.221 4.129 4.350 0.000 0.000 0.195 15 E C 0.884 177.498 176.600 0.023 0.000 0.991 15 E CA 1.138 57.571 56.400 0.055 0.000 0.810 15 E CB 0.344 30.077 29.700 0.054 0.000 0.742 15 E HN 0.379 nan 8.360 nan 0.000 0.466 16 Q N -0.333 119.518 119.800 0.085 0.000 2.451 16 Q HA 0.123 4.463 4.340 0.000 0.000 0.206 16 Q C 0.271 176.242 176.000 -0.049 0.000 0.947 16 Q CA 0.394 56.213 55.803 0.026 0.000 0.937 16 Q CB 0.592 29.500 28.738 0.284 0.000 1.025 16 Q HN 0.351 nan 8.270 nan 0.000 0.511 17 L N 0.342 121.561 121.223 -0.006 0.000 2.330 17 L HA 0.432 4.772 4.340 0.000 0.000 0.271 17 L C -0.088 176.745 176.870 -0.061 0.000 1.013 17 L CA -0.600 54.213 54.840 -0.045 0.000 0.816 17 L CB 1.781 43.803 42.059 -0.061 0.000 1.287 17 L HN -0.261 nan 8.230 nan 0.000 0.435 18 K N 2.876 123.237 120.400 -0.065 0.000 2.521 18 K HA 0.424 4.744 4.320 0.000 0.000 0.248 18 K C -1.318 175.253 176.600 -0.048 0.000 0.978 18 K CA -0.676 55.575 56.287 -0.060 0.000 0.947 18 K CB 0.927 33.383 32.500 -0.072 0.000 1.165 18 K HN 0.290 nan 8.250 nan 0.000 0.445 19 L N 3.508 124.703 121.223 -0.047 0.000 2.312 19 L HA 0.387 4.727 4.340 0.000 0.000 0.281 19 L C 0.146 176.997 176.870 -0.033 0.000 1.070 19 L CA -0.072 54.740 54.840 -0.046 0.000 0.805 19 L CB 1.215 43.241 42.059 -0.054 0.000 1.174 19 L HN 0.660 nan 8.230 nan 0.000 0.434 20 Q N 2.737 122.522 119.800 -0.025 0.000 2.394 20 Q HA 0.578 4.918 4.340 0.000 0.000 0.273 20 Q C -0.299 175.689 176.000 -0.020 0.000 1.089 20 Q CA -0.903 54.888 55.803 -0.020 0.000 0.812 20 Q CB 2.840 31.572 28.738 -0.010 0.000 1.353 20 Q HN 0.407 nan 8.270 nan 0.000 0.438 21 R N 0.606 121.093 120.500 -0.021 0.000 3.835 21 R HA -0.224 4.116 4.340 0.000 0.000 0.455 21 R C 0.414 176.703 176.300 -0.018 0.000 0.241 21 R CA 1.717 57.804 56.100 -0.021 0.000 1.439 21 R CB -1.623 28.663 30.300 -0.023 0.000 0.987 21 R HN 0.852 nan 8.270 nan 0.000 0.570 22 D N 1.540 121.931 120.400 -0.015 0.000 2.371 22 D HA 0.169 4.809 4.640 0.000 0.000 0.221 22 D C 0.447 176.740 176.300 -0.011 0.000 0.986 22 D CA 1.100 55.096 54.000 -0.007 0.000 0.899 22 D CB -0.236 40.566 40.800 0.003 0.000 0.902 22 D HN 0.590 nan 8.370 nan 0.000 0.530 23 A N 0.713 123.519 122.820 -0.023 0.000 2.546 23 A HA 0.360 4.680 4.320 0.000 0.000 0.243 23 A C 0.490 178.046 177.584 -0.046 0.000 1.063 23 A CA 0.332 52.344 52.037 -0.042 0.000 0.757 23 A CB 0.162 19.128 19.000 -0.056 0.000 0.991 23 A HN 0.097 nan 8.150 nan 0.000 0.503 24 R N 1.086 121.553 120.500 -0.056 0.000 2.680 24 R HA 0.578 4.918 4.340 0.000 0.000 0.269 24 R C -1.484 174.778 176.300 -0.063 0.000 1.026 24 R CA -0.604 55.468 56.100 -0.046 0.000 0.889 24 R CB 1.512 31.801 30.300 -0.017 0.000 1.241 24 R HN 0.692 nan 8.270 nan 0.000 0.463 25 I N 2.808 123.352 120.570 -0.044 0.000 2.312 25 I HA 0.230 4.400 4.170 0.000 0.000 0.290 25 I C 0.504 176.633 176.117 0.020 0.000 1.008 25 I CA -0.365 60.919 61.300 -0.026 0.000 1.226 25 I CB 1.672 39.673 38.000 0.002 0.000 1.371 25 I HN 0.711 nan 8.210 nan 0.000 0.468 26 S N 3.650 119.367 115.700 0.029 0.000 2.606 26 S HA 0.068 4.538 4.470 0.000 0.000 0.257 26 S C 1.344 175.981 174.600 0.062 0.000 1.327 26 S CA -0.091 58.134 58.200 0.042 0.000 0.984 26 S CB 1.188 64.412 63.200 0.040 0.000 0.941 26 S HN 0.729 nan 8.310 nan 0.000 0.576 27 S N 0.988 116.721 115.700 0.056 0.000 2.402 27 S HA -0.174 4.296 4.470 0.000 0.000 0.229 27 S C 1.404 176.049 174.600 0.074 0.000 1.021 27 S CA 0.881 59.119 58.200 0.063 0.000 0.974 27 S CB -0.971 62.258 63.200 0.049 0.000 0.800 27 S HN 0.927 nan 8.310 nan 0.000 0.484 28 N N 1.162 119.903 118.700 0.069 0.000 2.362 28 N HA 0.139 4.879 4.740 0.000 0.000 0.204 28 N C 0.701 176.267 175.510 0.094 0.000 1.166 28 N CA 0.893 53.987 53.050 0.073 0.000 0.831 28 N CB -0.313 38.209 38.487 0.058 0.000 1.008 28 N HN 0.678 nan 8.380 nan 0.000 0.472 29 S N -1.499 114.270 115.700 0.115 0.000 3.171 29 S HA -0.169 4.301 4.470 0.000 0.000 0.279 29 S C 0.214 174.938 174.600 0.207 0.000 1.294 29 S CA 0.905 59.200 58.200 0.157 0.000 1.077 29 S CB -2.554 60.730 63.200 0.140 0.000 1.298 29 S HN 0.931 nan 8.310 nan 0.000 0.666 30 V N -1.009 118.996 119.914 0.151 0.000 2.617 30 V HA 0.907 5.027 4.120 0.000 0.000 0.298 30 V C 0.382 176.506 176.094 0.050 0.000 1.048 30 V CA -1.052 61.343 62.300 0.159 0.000 0.964 30 V CB 1.705 33.587 31.823 0.098 0.000 1.004 30 V HN 1.153 nan 8.190 nan 0.000 0.466 31 L N 3.920 125.099 121.223 -0.073 0.000 2.295 31 L HA 0.480 4.820 4.340 0.000 0.000 0.288 31 L C 0.227 176.985 176.870 -0.186 0.000 1.079 31 L CA 0.301 54.946 54.840 -0.324 0.000 0.830 31 L CB 0.025 41.594 42.059 -0.817 0.000 1.200 31 L HN 0.850 nan 8.230 nan 0.000 0.438 32 E N 5.806 125.937 120.200 -0.114 0.000 2.014 32 E HA 0.135 4.485 4.350 0.000 0.000 0.275 32 E C 0.787 177.355 176.600 -0.054 0.000 0.997 32 E CA -0.190 56.178 56.400 -0.053 0.000 0.804 32 E CB 1.061 30.752 29.700 -0.015 0.000 1.090 32 E HN 0.724 nan 8.360 nan 0.000 0.401 33 L N 1.795 122.991 121.223 -0.045 0.000 2.056 33 L HA -0.084 4.256 4.340 0.000 0.000 0.207 33 L C 1.389 178.267 176.870 0.013 0.000 1.078 33 L CA 1.112 55.932 54.840 -0.034 0.000 0.749 33 L CB -0.406 41.632 42.059 -0.036 0.000 0.901 33 L HN 0.496 nan 8.230 nan 0.000 0.433 34 T N -2.925 111.675 114.554 0.077 0.000 2.940 34 T HA 0.270 4.620 4.350 0.000 0.000 0.288 34 T C -0.210 174.540 174.700 0.082 0.000 1.033 34 T CA -0.933 61.226 62.100 0.100 0.000 1.033 34 T CB 2.203 71.198 68.868 0.212 0.000 1.079 34 T HN -0.076 nan 8.240 nan 0.000 0.496 35 K N 0.662 121.106 120.400 0.074 0.000 2.448 35 K HA 0.332 4.652 4.320 0.000 0.000 0.278 35 K C -1.016 175.631 176.600 0.078 0.000 1.009 35 K CA -0.276 56.051 56.287 0.067 0.000 0.995 35 K CB 0.453 32.993 32.500 0.066 0.000 0.917 35 K HN 0.515 nan 8.250 nan 0.000 0.481 36 V N 5.865 125.815 119.914 0.060 0.000 2.567 36 V HA 0.328 4.448 4.120 0.000 0.000 0.298 36 V C -1.141 174.984 176.094 0.052 0.000 1.047 36 V CA -0.711 61.624 62.300 0.058 0.000 0.880 36 V CB 1.673 33.519 31.823 0.038 0.000 1.009 36 V HN 0.509 nan 8.190 nan 0.000 0.429 37 V N 3.487 123.438 119.914 0.062 0.000 2.417 37 V HA 0.624 4.744 4.120 0.000 0.000 0.291 37 V C 0.278 176.401 176.094 0.049 0.000 1.024 37 V CA 0.082 62.414 62.300 0.053 0.000 0.861 37 V CB 0.765 32.623 31.823 0.058 0.000 0.985 37 V HN 1.071 nan 8.190 nan 0.000 0.436 38 N N 3.810 122.533 118.700 0.039 0.000 2.725 38 N HA -0.181 4.559 4.740 0.000 0.000 0.251 38 N C 1.076 176.606 175.510 0.034 0.000 1.031 38 N CA 0.638 53.708 53.050 0.034 0.000 0.720 38 N CB -1.146 37.362 38.487 0.035 0.000 0.930 38 N HN 1.932 nan 8.380 nan 0.000 0.543 39 G N -1.982 106.836 108.800 0.030 0.000 2.168 39 G HA2 -0.312 3.648 3.960 0.000 0.000 0.263 39 G HA3 -0.312 3.648 3.960 0.000 0.000 0.263 39 G C 0.016 174.928 174.900 0.021 0.000 0.977 39 G CA 0.484 45.597 45.100 0.021 0.000 0.659 39 G HN 0.473 nan 8.290 nan 0.000 0.533 40 V N 2.008 121.949 119.914 0.046 0.000 2.487 40 V HA 0.551 4.671 4.120 0.000 0.000 0.298 40 V C -1.804 174.344 176.094 0.091 0.000 1.028 40 V CA -1.764 60.580 62.300 0.072 0.000 0.860 40 V CB 2.312 34.215 31.823 0.134 0.000 0.991 40 V HN 0.170 nan 8.190 nan 0.000 0.427 41 P HA 0.239 nan 4.420 nan 0.000 0.275 41 P C -0.273 177.142 177.300 0.191 0.000 1.227 41 P CA 0.152 63.317 63.100 0.108 0.000 0.781 41 P CB 1.122 32.853 31.700 0.052 0.000 0.906 42 T N 0.167 114.838 114.554 0.195 0.000 2.950 42 T HA 0.601 4.951 4.350 0.000 0.000 0.288 42 T C 0.157 175.069 174.700 0.352 0.000 1.035 42 T CA -0.741 61.519 62.100 0.267 0.000 1.028 42 T CB 0.951 69.974 68.868 0.258 0.000 1.109 42 T HN 0.515 nan 8.240 nan 0.000 0.514 43 W N 1.094 122.431 121.300 0.061 0.000 2.116 43 W HA 0.505 5.165 4.660 0.000 0.000 0.374 43 W C 0.370 176.904 176.519 0.025 0.000 1.445 43 W CA -1.282 56.089 57.345 0.044 0.000 1.582 43 W CB -1.298 28.177 29.460 0.024 0.000 1.263 43 W HN 0.871 nan 8.180 nan 0.000 0.683 44 N N -0.291 118.287 118.700 -0.204 0.000 2.747 44 N HA -0.236 4.504 4.740 0.000 0.000 0.249 44 N C -1.180 174.237 175.510 -0.155 0.000 1.107 44 N CA 1.233 54.050 53.050 -0.388 0.000 0.707 44 N CB -1.392 36.607 38.487 -0.814 0.000 1.054 44 N HN 0.661 nan 8.380 nan 0.000 0.555 45 S N -0.934 114.743 115.700 -0.039 0.000 2.503 45 S HA 0.835 5.305 4.470 0.000 0.000 0.301 45 S C -0.693 173.902 174.600 -0.008 0.000 1.087 45 S CA 0.190 58.388 58.200 -0.003 0.000 1.042 45 S CB 1.461 64.697 63.200 0.059 0.000 1.043 45 S HN 0.245 nan 8.310 nan 0.000 0.489 46 T N 2.373 116.917 114.554 -0.017 0.000 3.041 46 T HA 0.719 5.069 4.350 0.000 0.000 0.321 46 T C -0.453 174.235 174.700 -0.020 0.000 1.184 46 T CA -0.699 61.387 62.100 -0.024 0.000 1.050 46 T CB 1.556 70.403 68.868 -0.035 0.000 1.159 46 T HN 0.928 nan 8.240 nan 0.000 0.469 47 G N 1.793 110.580 108.800 -0.022 0.000 2.720 47 G HA2 0.741 4.701 3.960 0.000 0.000 0.295 47 G HA3 0.741 4.701 3.960 0.000 0.000 0.295 47 G C -1.677 173.217 174.900 -0.010 0.000 1.437 47 G CA -0.914 44.175 45.100 -0.018 0.000 0.886 47 G HN 0.651 nan 8.290 nan 0.000 0.509 48 R N -0.618 119.885 120.500 0.004 0.000 2.867 48 R HA 0.859 5.199 4.340 0.000 0.000 0.268 48 R C -0.948 175.367 176.300 0.025 0.000 1.014 48 R CA -0.910 55.221 56.100 0.051 0.000 0.946 48 R CB 2.614 32.970 30.300 0.093 0.000 1.208 48 R HN 0.879 nan 8.270 nan 0.000 0.477 49 A N 2.009 124.857 122.820 0.046 0.000 2.442 49 A HA 0.536 4.856 4.320 0.000 0.000 0.284 49 A C -1.500 176.078 177.584 -0.011 0.000 1.058 49 A CA -0.657 51.376 52.037 -0.007 0.000 0.738 49 A CB 1.010 19.977 19.000 -0.055 0.000 1.242 49 A HN 0.306 nan 8.150 nan 0.000 0.421 50 L N 1.694 122.908 121.223 -0.015 0.000 2.342 50 L HA 0.439 4.779 4.340 0.000 0.000 0.271 50 L C -0.230 176.679 176.870 0.066 0.000 1.008 50 L CA -0.670 54.150 54.840 -0.033 0.000 0.818 50 L CB 1.149 43.161 42.059 -0.079 0.000 1.296 50 L HN 0.794 nan 8.230 nan 0.000 0.427 51 Y N 1.260 121.561 120.300 0.001 0.000 2.442 51 Y HA 0.239 4.789 4.550 0.000 0.000 0.330 51 Y C 1.271 177.097 175.900 -0.124 0.000 1.129 51 Y CA 0.138 58.175 58.100 -0.106 0.000 1.365 51 Y CB 1.339 39.614 38.460 -0.308 0.000 1.233 51 Y HN 0.773 nan 8.280 nan 0.000 0.529 52 A N 5.758 128.181 122.820 -0.661 0.000 1.986 52 A HA -0.136 4.184 4.320 0.000 0.000 0.220 52 A C 0.841 178.145 177.584 -0.466 0.000 1.171 52 A CA 1.296 53.041 52.037 -0.488 0.000 0.640 52 A CB -0.468 18.287 19.000 -0.408 0.000 0.811 52 A HN 0.722 nan 8.150 nan 0.000 0.451 53 K N 0.548 120.513 120.400 -0.725 0.000 2.138 53 K HA 0.411 4.731 4.320 0.000 0.000 0.263 53 K C -2.793 173.793 176.600 -0.022 0.000 0.965 53 K CA -2.243 53.878 56.287 -0.277 0.000 0.868 53 K CB 1.218 33.618 32.500 -0.166 0.000 1.083 53 K HN 0.139 nan 8.250 nan 0.000 0.443 54 P HA 0.049 nan 4.420 nan 0.000 0.274 54 P C -0.662 176.674 177.300 0.060 0.000 1.231 54 P CA -0.489 62.617 63.100 0.009 0.000 0.790 54 P CB 1.048 32.733 31.700 -0.026 0.000 0.951 55 V N -0.371 119.570 119.914 0.045 0.000 2.715 55 V HA 0.437 4.557 4.120 0.000 0.000 0.310 55 V C -0.320 175.807 176.094 0.054 0.000 1.054 55 V CA -0.913 61.431 62.300 0.073 0.000 0.928 55 V CB 1.810 33.675 31.823 0.071 0.000 1.007 55 V HN 0.399 nan 8.190 nan 0.000 0.437 56 Q N 1.893 121.736 119.800 0.071 0.000 2.349 56 Q HA 0.347 4.687 4.340 0.000 0.000 0.254 56 Q C 0.801 176.874 176.000 0.122 0.000 0.980 56 Q CA -0.106 55.725 55.803 0.046 0.000 0.924 56 Q CB 1.924 30.679 28.738 0.028 0.000 1.209 56 Q HN 1.019 nan 8.270 nan 0.000 0.445 57 V N 1.047 121.056 119.914 0.158 0.000 3.174 57 V HA 0.227 4.347 4.120 0.000 0.000 0.254 57 V C 0.214 176.576 176.094 0.448 0.000 1.120 57 V CA 0.126 62.615 62.300 0.315 0.000 1.114 57 V CB -0.303 31.732 31.823 0.352 0.000 0.756 57 V HN 0.678 nan 8.190 nan 0.000 0.467 58 W N -0.582 120.783 121.300 0.109 0.000 3.146 58 W HA 0.686 5.346 4.660 0.000 0.000 0.319 58 W C -2.392 174.172 176.519 0.074 0.000 1.258 58 W CA -1.358 56.046 57.345 0.098 0.000 1.189 58 W CB 1.269 30.788 29.460 0.099 0.000 1.412 58 W HN 0.054 nan 8.180 nan 0.000 0.567 59 D N 0.943 121.472 120.400 0.215 0.000 2.425 59 D HA 0.321 4.961 4.640 0.000 0.000 0.240 59 D C 1.226 177.609 176.300 0.137 0.000 1.080 59 D CA -0.165 53.857 54.000 0.038 0.000 0.836 59 D CB 2.098 42.938 40.800 0.066 0.000 1.125 59 D HN 0.367 nan 8.370 nan 0.000 0.525 60 S N 1.632 117.314 115.700 -0.030 0.000 2.447 60 S HA -0.153 4.317 4.470 0.000 0.000 0.233 60 S C 1.543 176.209 174.600 0.110 0.000 1.006 60 S CA 1.095 59.362 58.200 0.112 0.000 0.957 60 S CB -0.254 62.933 63.200 -0.022 0.000 0.773 60 S HN 0.489 nan 8.310 nan 0.000 0.507 61 T N 2.564 117.153 114.554 0.059 0.000 2.732 61 T HA -0.058 4.293 4.350 0.000 0.000 0.261 61 T C 2.256 176.999 174.700 0.072 0.000 1.040 61 T CA 1.970 64.102 62.100 0.054 0.000 1.145 61 T CB -0.866 68.020 68.868 0.030 0.000 0.866 61 T HN 0.845 nan 8.240 nan 0.000 0.427 62 T N -1.331 113.273 114.554 0.084 0.000 3.054 62 T HA 0.359 4.709 4.350 0.000 0.000 0.259 62 T C 1.925 176.692 174.700 0.112 0.000 1.092 62 T CA 0.987 63.138 62.100 0.086 0.000 1.121 62 T CB -0.199 68.717 68.868 0.080 0.000 0.912 62 T HN 0.558 nan 8.240 nan 0.000 0.489 63 G N 1.591 110.491 108.800 0.166 0.000 2.179 63 G HA2 -0.273 3.687 3.960 0.000 0.000 0.260 63 G HA3 -0.273 3.687 3.960 0.000 0.000 0.260 63 G C -0.045 174.972 174.900 0.194 0.000 0.977 63 G CA 0.051 45.269 45.100 0.196 0.000 0.641 63 G HN 0.686 nan 8.290 nan 0.000 0.533 64 N N -0.290 118.521 118.700 0.186 0.000 2.508 64 N HA 0.425 5.165 4.740 0.000 0.000 0.264 64 N C -0.062 175.600 175.510 0.252 0.000 1.216 64 N CA 0.017 53.171 53.050 0.173 0.000 0.943 64 N CB 1.351 39.919 38.487 0.135 0.000 1.113 64 N HN 0.099 nan 8.380 nan 0.000 0.447 65 V N 1.093 121.138 119.914 0.218 0.000 2.715 65 V HA 0.579 4.700 4.120 0.000 0.000 0.310 65 V C 0.182 176.438 176.094 0.270 0.000 1.054 65 V CA -0.841 61.630 62.300 0.284 0.000 0.928 65 V CB 1.618 33.575 31.823 0.224 0.000 1.007 65 V HN 0.758 nan 8.190 nan 0.000 0.437 66 A N 2.582 125.605 122.820 0.339 0.000 2.286 66 A HA 0.766 5.086 4.320 0.000 0.000 0.286 66 A C 0.179 177.988 177.584 0.375 0.000 1.097 66 A CA -0.253 51.975 52.037 0.318 0.000 0.821 66 A CB 0.690 19.893 19.000 0.339 0.000 1.076 66 A HN 0.746 nan 8.150 nan 0.000 0.490 67 S N -0.388 115.468 115.700 0.261 0.000 2.537 67 S HA 0.824 5.294 4.470 0.000 0.000 0.301 67 S C -0.890 173.840 174.600 0.217 0.000 1.092 67 S CA -0.286 58.008 58.200 0.156 0.000 1.048 67 S CB 0.891 64.094 63.200 0.005 0.000 1.053 67 S HN 0.853 nan 8.310 nan 0.000 0.501 68 F N -0.173 119.826 119.950 0.081 0.000 2.686 68 F HA 0.817 5.344 4.527 0.000 0.000 0.311 68 F C -0.956 174.745 175.800 -0.164 0.000 1.128 68 F CA -0.992 56.934 58.000 -0.124 0.000 0.946 68 F CB 1.350 40.253 39.000 -0.163 0.000 1.336 68 F HN 0.538 nan 8.300 nan 0.000 0.457 69 E N 0.747 120.908 120.200 -0.065 0.000 2.290 69 E HA 0.517 4.867 4.350 0.000 0.000 0.274 69 E C -1.979 174.525 176.600 -0.160 0.000 0.889 69 E CA -0.596 55.743 56.400 -0.101 0.000 0.760 69 E CB 2.382 31.990 29.700 -0.153 0.000 1.206 69 E HN 0.939 nan 8.360 nan 0.000 0.419 70 T N 3.371 117.925 114.554 0.000 0.000 2.916 70 T HA 0.601 4.951 4.350 0.000 0.000 0.298 70 T C -1.337 173.446 174.700 0.139 0.000 1.031 70 T CA -0.573 61.589 62.100 0.104 0.000 0.993 70 T CB 0.932 69.993 68.868 0.322 0.000 1.045 70 T HN 0.488 nan 8.240 nan 0.000 0.454 71 R N 2.752 123.390 120.500 0.231 0.000 2.686 71 R HA 0.786 5.126 4.340 0.000 0.000 0.283 71 R C -1.248 175.303 176.300 0.418 0.000 0.978 71 R CA -0.755 55.427 56.100 0.137 0.000 0.897 71 R CB 1.737 32.053 30.300 0.027 0.000 1.192 71 R HN 0.658 nan 8.270 nan 0.000 0.457 72 F N -2.022 118.065 119.950 0.228 0.000 2.713 72 F HA 0.682 5.209 4.527 0.000 0.000 0.311 72 F C -1.173 174.675 175.800 0.080 0.000 1.141 72 F CA -0.995 57.160 58.000 0.259 0.000 0.939 72 F CB 1.787 41.006 39.000 0.364 0.000 1.325 72 F HN 0.213 nan 8.300 nan 0.000 0.453 73 S N 1.261 117.148 115.700 0.312 0.000 2.521 73 S HA 0.822 5.292 4.470 0.000 0.000 0.295 73 S C -1.319 173.393 174.600 0.186 0.000 1.098 73 S CA -0.601 57.628 58.200 0.048 0.000 0.999 73 S CB 1.540 64.732 63.200 -0.013 0.000 1.034 73 S HN 0.733 nan 8.310 nan 0.000 0.483 74 F N -0.208 119.758 119.950 0.027 0.000 2.650 74 F HA 0.913 5.440 4.527 0.000 0.000 0.320 74 F C -0.473 175.322 175.800 -0.009 0.000 1.091 74 F CA -1.127 56.873 58.000 -0.000 0.000 0.962 74 F CB 1.318 40.308 39.000 -0.016 0.000 1.363 74 F HN 0.433 nan 8.300 nan 0.000 0.482 75 S N 1.131 117.074 115.700 0.405 0.000 2.572 75 S HA 0.742 5.212 4.470 0.000 0.000 0.274 75 S C -1.554 173.210 174.600 0.273 0.000 1.150 75 S CA -0.559 57.805 58.200 0.273 0.000 0.944 75 S CB 0.799 64.070 63.200 0.117 0.000 1.071 75 S HN 0.665 nan 8.310 nan 0.000 0.479 76 I N 4.331 125.061 120.570 0.267 0.000 2.410 76 I HA 0.470 4.640 4.170 0.000 0.000 0.286 76 I C 0.052 176.197 176.117 0.047 0.000 1.009 76 I CA -0.595 60.767 61.300 0.103 0.000 1.111 76 I CB 1.674 39.769 38.000 0.157 0.000 1.262 76 I HN 0.447 nan 8.210 nan 0.000 0.443 77 R N 5.747 126.225 120.500 -0.036 0.000 2.338 77 R HA 0.404 4.744 4.340 0.000 0.000 0.317 77 R C -0.799 175.437 176.300 -0.106 0.000 0.968 77 R CA -0.493 55.573 56.100 -0.056 0.000 0.849 77 R CB 1.131 31.391 30.300 -0.066 0.000 1.128 77 R HN 0.576 nan 8.270 nan 0.000 0.448 78 Q N 5.351 125.094 119.800 -0.097 0.000 2.462 78 Q HA 0.215 4.555 4.340 0.000 0.000 0.247 78 Q C -1.861 174.014 176.000 -0.209 0.000 1.044 78 Q CA -1.884 53.848 55.803 -0.119 0.000 0.803 78 Q CB 1.979 30.694 28.738 -0.039 0.000 1.190 78 Q HN 0.496 nan 8.270 nan 0.000 0.507 79 P HA -0.074 nan 4.420 nan 0.000 0.220 79 P C -0.506 176.423 177.300 -0.617 0.000 1.152 79 P CA 0.944 63.637 63.100 -0.679 0.000 0.812 79 P CB 0.355 31.323 31.700 -1.220 0.000 0.792 80 F N -0.053 119.892 119.950 -0.009 0.000 2.359 80 F HA 0.360 4.887 4.527 0.000 0.000 0.370 80 F C -1.390 174.402 175.800 -0.014 0.000 1.077 80 F CA -2.976 55.012 58.000 -0.020 0.000 1.136 80 F CB 0.427 39.405 39.000 -0.037 0.000 1.387 80 F HN -0.124 nan 8.300 nan 0.000 0.468 81 P HA -0.166 nan 4.420 nan 0.000 0.216 81 P C 0.589 177.928 177.300 0.065 0.000 1.150 81 P CA 1.243 64.384 63.100 0.069 0.000 0.843 81 P CB 0.137 31.861 31.700 0.039 0.000 0.787 82 R N 0.849 121.380 120.500 0.053 0.000 2.664 82 R HA 0.448 4.788 4.340 0.000 0.000 0.286 82 R C -2.099 174.160 176.300 -0.068 0.000 0.967 82 R CA -1.684 54.411 56.100 -0.008 0.000 0.933 82 R CB -0.620 29.669 30.300 -0.019 0.000 1.146 82 R HN 0.116 nan 8.270 nan 0.000 0.468 83 P HA 0.052 nan 4.420 nan 0.000 0.245 83 P C -0.720 176.491 177.300 -0.148 0.000 1.203 83 P CA 0.780 63.743 63.100 -0.228 0.000 0.792 83 P CB 0.043 31.533 31.700 -0.350 0.000 0.997 84 H N -3.292 115.849 119.070 0.118 0.000 3.249 84 H HA 0.288 4.844 4.556 0.000 0.000 0.327 84 H C -3.429 172.028 175.328 0.213 0.000 1.498 84 H CA -1.696 54.448 56.048 0.159 0.000 1.637 84 H CB -0.228 29.658 29.762 0.207 0.000 2.475 84 H HN -0.206 nan 8.280 nan 0.000 0.370 85 P HA 0.491 nan 4.420 nan 0.000 0.273 85 P C -0.660 176.848 177.300 0.347 0.000 1.250 85 P CA 0.114 63.378 63.100 0.274 0.000 0.793 85 P CB 0.809 32.612 31.700 0.172 0.000 1.011 86 A N 0.348 123.332 122.820 0.273 0.000 2.590 86 A HA 0.432 4.753 4.320 0.000 0.000 0.294 86 A C -0.651 177.089 177.584 0.260 0.000 1.046 86 A CA -0.288 51.887 52.037 0.230 0.000 0.684 86 A CB 0.532 19.525 19.000 -0.011 0.000 1.279 86 A HN 0.419 nan 8.150 nan 0.000 0.415 87 D N -0.623 119.931 120.400 0.257 0.000 2.482 87 D HA 0.460 5.100 4.640 0.000 0.000 0.251 87 D C 0.751 177.288 176.300 0.395 0.000 1.073 87 D CA 1.517 55.648 54.000 0.219 0.000 0.892 87 D CB 1.032 41.851 40.800 0.033 0.000 1.202 87 D HN 1.438 nan 8.370 nan 0.000 0.496 88 G N -0.245 108.786 108.800 0.386 0.000 2.359 88 G HA2 0.344 4.304 3.960 0.000 0.000 0.303 88 G HA3 0.344 4.304 3.960 0.000 0.000 0.303 88 G C -2.024 172.866 174.900 -0.016 0.000 1.293 88 G CA -0.617 44.692 45.100 0.348 0.000 0.964 88 G HN 0.278 nan 8.290 nan 0.000 0.531 89 L N -1.911 119.287 121.223 -0.040 0.000 2.359 89 L HA 1.015 5.355 4.340 0.000 0.000 0.256 89 L C 0.161 176.952 176.870 -0.132 0.000 1.026 89 L CA -1.273 53.483 54.840 -0.140 0.000 0.828 89 L CB 1.599 43.603 42.059 -0.090 0.000 1.406 89 L HN 1.987 nan 8.230 nan 0.000 0.413 90 V N -1.481 118.392 119.914 -0.068 0.000 3.159 90 V HA 0.734 4.854 4.120 0.000 0.000 0.308 90 V C -1.412 174.834 176.094 0.253 0.000 1.190 90 V CA -0.629 61.690 62.300 0.031 0.000 1.037 90 V CB 1.970 33.654 31.823 -0.232 0.000 1.060 90 V HN 0.999 nan 8.190 nan 0.000 0.437 91 F N 4.942 124.988 119.950 0.161 0.000 2.458 91 F HA 0.920 5.447 4.527 0.000 0.000 0.336 91 F C -0.940 174.920 175.800 0.101 0.000 1.114 91 F CA -1.420 56.547 58.000 -0.056 0.000 0.987 91 F CB 1.552 40.575 39.000 0.040 0.000 1.130 91 F HN 0.783 nan 8.300 nan 0.000 0.458 92 F N 5.019 124.347 119.950 -1.037 0.000 2.650 92 F HA 0.837 5.364 4.527 0.000 0.000 0.320 92 F C -1.971 173.394 175.800 -0.724 0.000 1.091 92 F CA -1.871 55.737 58.000 -0.654 0.000 0.962 92 F CB 1.277 40.075 39.000 -0.336 0.000 1.363 92 F HN 0.286 nan 8.300 nan 0.000 0.482 93 I N 1.980 122.423 120.570 -0.211 0.000 2.499 93 I HA 0.768 4.939 4.170 0.000 0.000 0.288 93 I C -0.645 175.560 176.117 0.147 0.000 1.048 93 I CA -0.840 60.342 61.300 -0.197 0.000 1.062 93 I CB 1.608 39.554 38.000 -0.090 0.000 1.238 93 I HN 1.048 nan 8.210 nan 0.000 0.426 94 A N 7.106 129.982 122.820 0.094 0.000 2.593 94 A HA 0.908 5.229 4.320 0.000 0.000 0.290 94 A C -2.976 174.637 177.584 0.049 0.000 1.126 94 A CA -1.657 50.507 52.037 0.210 0.000 0.695 94 A CB 1.694 20.906 19.000 0.355 0.000 1.290 94 A HN 0.352 nan 8.150 nan 0.000 0.414 95 P HA 0.251 nan 4.420 nan 0.000 0.269 95 P C -2.460 174.784 177.300 -0.094 0.000 1.215 95 P CA -0.660 62.425 63.100 -0.025 0.000 0.780 95 P CB 0.004 31.692 31.700 -0.021 0.000 0.898 96 P HA 0.007 nan 4.420 nan 0.000 0.274 96 P C -0.633 176.600 177.300 -0.111 0.000 1.237 96 P CA -0.079 62.966 63.100 -0.093 0.000 0.793 96 P CB 0.194 31.851 31.700 -0.073 0.000 0.977 97 N N -1.788 116.848 118.700 -0.107 0.000 2.681 97 N HA -0.112 4.628 4.740 0.000 0.000 0.259 97 N C -0.199 175.226 175.510 -0.141 0.000 1.066 97 N CA 0.344 53.332 53.050 -0.103 0.000 0.717 97 N CB -1.410 37.029 38.487 -0.080 0.000 0.885 97 N HN 0.671 nan 8.380 nan 0.000 0.547 98 T N -3.782 110.657 114.554 -0.191 0.000 2.950 98 T HA 0.744 5.094 4.350 0.000 0.000 0.288 98 T C 0.042 174.651 174.700 -0.151 0.000 1.035 98 T CA -0.464 61.458 62.100 -0.296 0.000 1.028 98 T CB 2.024 70.451 68.868 -0.735 0.000 1.109 98 T HN 0.347 nan 8.240 nan 0.000 0.514 99 Q N 0.404 120.155 119.800 -0.081 0.000 2.257 99 Q HA 0.628 4.968 4.340 0.000 0.000 0.262 99 Q C 0.240 176.259 176.000 0.032 0.000 0.997 99 Q CA -1.042 54.751 55.803 -0.017 0.000 0.873 99 Q CB 0.366 29.097 28.738 -0.011 0.000 1.312 99 Q HN 0.919 nan 8.270 nan 0.000 0.450 100 T N 1.898 116.453 114.554 0.003 0.000 2.905 100 T HA 0.389 4.740 4.350 0.000 0.000 0.299 100 T C 0.979 175.667 174.700 -0.019 0.000 1.024 100 T CA 0.584 62.678 62.100 -0.011 0.000 1.151 100 T CB 0.234 69.086 68.868 -0.027 0.000 0.987 100 T HN 0.914 nan 8.240 nan 0.000 0.535 101 G N 1.854 110.624 108.800 -0.049 0.000 2.531 101 G HA2 0.418 4.378 3.960 0.000 0.000 0.253 101 G HA3 0.418 4.378 3.960 0.000 0.000 0.253 101 G C -0.111 174.728 174.900 -0.101 0.000 1.439 101 G CA -0.589 44.443 45.100 -0.113 0.000 1.056 101 G HN 0.712 nan 8.290 nan 0.000 0.555 102 E N -1.141 118.981 120.200 -0.130 0.000 2.404 102 E HA 0.426 4.776 4.350 0.000 0.000 0.261 102 E C 0.991 177.615 176.600 0.041 0.000 1.074 102 E CA 0.603 56.969 56.400 -0.056 0.000 0.917 102 E CB 0.606 30.239 29.700 -0.112 0.000 0.965 102 E HN 0.492 nan 8.360 nan 0.000 0.433 103 G N 1.796 110.615 108.800 0.033 0.000 2.666 103 G HA2 0.479 4.439 3.960 0.000 0.000 0.207 103 G HA3 0.479 4.439 3.960 0.000 0.000 0.207 103 G C 0.617 175.522 174.900 0.008 0.000 1.481 103 G CA -0.113 44.991 45.100 0.007 0.000 1.071 103 G HN 0.971 nan 8.290 nan 0.000 0.572 104 G N -0.767 107.987 108.800 -0.076 0.000 2.596 104 G HA2 0.030 3.990 3.960 0.000 0.000 0.295 104 G HA3 0.030 3.990 3.960 0.000 0.000 0.295 104 G C 1.415 176.135 174.900 -0.300 0.000 1.240 104 G CA 0.956 45.955 45.100 -0.167 0.000 0.985 104 G HN 1.773 nan 8.290 nan 0.000 0.555 105 G N -1.323 107.235 108.800 -0.403 0.000 2.708 105 G HA2 0.193 4.153 3.960 0.000 0.000 0.210 105 G HA3 0.193 4.153 3.960 0.000 0.000 0.210 105 G C 1.112 175.471 174.900 -0.902 0.000 1.141 105 G CA 1.537 46.280 45.100 -0.594 0.000 0.788 105 G HN 0.577 nan 8.290 nan 0.000 0.531 106 Y N -1.251 118.822 120.300 -0.379 0.000 2.457 106 Y HA 0.304 4.854 4.550 0.000 0.000 0.263 106 Y C 1.124 176.903 175.900 -0.201 0.000 1.164 106 Y CA -1.517 56.425 58.100 -0.264 0.000 1.274 106 Y CB -0.129 38.309 38.460 -0.037 0.000 1.097 106 Y HN 0.163 nan 8.280 nan 0.000 0.523 107 F N -0.978 119.000 119.950 0.045 0.000 2.945 107 F HA -0.331 4.196 4.527 0.000 0.000 0.334 107 F C 1.729 177.455 175.800 -0.123 0.000 0.683 107 F CA 1.103 59.065 58.000 -0.065 0.000 1.044 107 F CB -1.768 37.176 39.000 -0.093 0.000 1.478 107 F HN 0.148 nan 8.300 nan 0.000 0.324 108 G N 0.139 108.962 108.800 0.039 0.000 2.141 108 G HA2 -0.297 3.663 3.960 0.000 0.000 0.231 108 G HA3 -0.297 3.663 3.960 0.000 0.000 0.231 108 G C 0.714 175.509 174.900 -0.176 0.000 0.984 108 G CA 0.386 45.452 45.100 -0.056 0.000 0.660 108 G HN 1.028 nan 8.290 nan 0.000 0.525 109 I N -3.898 116.522 120.570 -0.250 0.000 4.187 109 I HA 0.525 4.695 4.170 0.000 0.000 0.326 109 I C 0.787 176.606 176.117 -0.497 0.000 1.302 109 I CA -0.473 60.513 61.300 -0.523 0.000 1.196 109 I CB 0.366 37.775 38.000 -0.986 0.000 1.095 109 I HN 0.047 nan 8.210 nan 0.000 0.411 110 Y N 3.314 123.375 120.300 -0.399 0.000 2.330 110 Y HA 0.457 5.007 4.550 0.000 0.000 0.336 110 Y C -0.540 175.115 175.900 -0.408 0.000 1.036 110 Y CA -1.234 56.649 58.100 -0.362 0.000 1.125 110 Y CB 0.966 39.333 38.460 -0.156 0.000 1.194 110 Y HN 0.096 nan 8.280 nan 0.000 0.469 111 N N 7.719 125.759 118.700 -1.101 0.000 2.573 111 N HA 0.286 5.026 4.740 0.000 0.000 0.262 111 N C -2.456 172.458 175.510 -0.994 0.000 1.029 111 N CA -2.022 50.534 53.050 -0.823 0.000 0.882 111 N CB 1.747 39.957 38.487 -0.462 0.000 1.204 111 N HN 0.371 nan 8.380 nan 0.000 0.519 112 P HA -0.129 nan 4.420 nan 0.000 0.216 112 P C 1.836 178.941 177.300 -0.325 0.000 1.150 112 P CA 0.983 63.744 63.100 -0.565 0.000 0.837 112 P CB 0.233 31.746 31.700 -0.312 0.000 0.786 113 L N -0.838 120.220 121.223 -0.275 0.000 2.012 113 L HA -0.076 4.264 4.340 0.000 0.000 0.210 113 L C 1.436 178.215 176.870 -0.153 0.000 1.073 113 L CA 2.576 57.313 54.840 -0.171 0.000 0.748 113 L CB -1.973 40.001 42.059 -0.141 0.000 0.891 113 L HN 0.269 nan 8.230 nan 0.000 0.431 114 S N -1.600 113.989 115.700 -0.185 0.000 2.356 114 S HA 0.566 5.036 4.470 0.000 0.000 0.171 114 S C -3.083 171.420 174.600 -0.161 0.000 1.399 114 S CA -1.184 56.942 58.200 -0.123 0.000 1.225 114 S CB 0.531 63.698 63.200 -0.056 0.000 1.271 114 S HN 0.338 nan 8.310 nan 0.000 0.427 115 P HA 0.314 nan 4.420 nan 0.000 0.268 115 P C -0.878 176.379 177.300 -0.071 0.000 1.204 115 P CA -0.097 62.825 63.100 -0.296 0.000 0.768 115 P CB -0.007 31.566 31.700 -0.213 0.000 0.842 116 Y N 1.743 122.057 120.300 0.023 0.000 2.485 116 Y HA 0.740 5.290 4.550 0.000 0.000 0.345 116 Y C -2.688 173.311 175.900 0.165 0.000 0.998 116 Y CA -3.798 54.347 58.100 0.074 0.000 1.059 116 Y CB -0.086 38.412 38.460 0.062 0.000 1.234 116 Y HN 0.239 nan 8.280 nan 0.000 0.461 117 P HA 0.308 nan 4.420 nan 0.000 0.272 117 P C -1.098 176.448 177.300 0.410 0.000 1.223 117 P CA 0.279 63.503 63.100 0.206 0.000 0.784 117 P CB 0.879 32.660 31.700 0.135 0.000 0.923 118 F N -1.436 118.626 119.950 0.186 0.000 2.746 118 F HA 0.540 5.067 4.527 0.000 0.000 0.311 118 F C -2.217 173.666 175.800 0.139 0.000 1.135 118 F CA -1.305 56.816 58.000 0.202 0.000 0.954 118 F CB 0.474 39.633 39.000 0.265 0.000 1.276 118 F HN 0.064 nan 8.300 nan 0.000 0.440 119 V N 2.168 122.337 119.914 0.425 0.000 2.487 119 V HA 0.957 5.077 4.120 0.000 0.000 0.298 119 V C -0.352 175.993 176.094 0.419 0.000 1.028 119 V CA -0.146 62.334 62.300 0.301 0.000 0.860 119 V CB 1.075 33.008 31.823 0.182 0.000 0.991 119 V HN 1.349 nan 8.190 nan 0.000 0.427 120 A N 4.044 127.114 122.820 0.416 0.000 2.572 120 A HA 0.896 5.216 4.320 0.000 0.000 0.295 120 A C -1.446 176.292 177.584 0.257 0.000 1.072 120 A CA -0.578 51.656 52.037 0.328 0.000 0.691 120 A CB 2.206 21.376 19.000 0.284 0.000 1.291 120 A HN 0.605 nan 8.150 nan 0.000 0.404 121 V N 2.430 122.496 119.914 0.254 0.000 2.357 121 V HA 0.409 4.529 4.120 0.000 0.000 0.284 121 V C -0.070 175.986 176.094 -0.064 0.000 1.018 121 V CA -0.321 62.057 62.300 0.130 0.000 0.841 121 V CB 1.154 33.129 31.823 0.253 0.000 0.991 121 V HN 1.006 nan 8.190 nan 0.000 0.437 122 E N 4.182 124.246 120.200 -0.227 0.000 2.222 122 E HA 0.641 4.991 4.350 0.000 0.000 0.272 122 E C -1.548 174.726 176.600 -0.543 0.000 0.982 122 E CA -0.723 55.460 56.400 -0.362 0.000 0.842 122 E CB 1.751 31.254 29.700 -0.328 0.000 1.144 122 E HN 0.406 nan 8.360 nan 0.000 0.397 123 F N 1.432 121.367 119.950 -0.026 0.000 2.564 123 F HA 0.211 4.738 4.527 0.000 0.000 0.361 123 F C -0.313 175.560 175.800 0.120 0.000 1.161 123 F CA -0.921 57.166 58.000 0.146 0.000 1.198 123 F CB 1.093 40.105 39.000 0.021 0.000 1.424 123 F HN 0.441 nan 8.300 nan 0.000 0.517 124 D N 1.310 121.815 120.400 0.175 0.000 2.312 124 D HA 0.158 4.798 4.640 0.000 0.000 0.252 124 D C 1.012 177.296 176.300 -0.027 0.000 1.150 124 D CA 0.251 54.320 54.000 0.114 0.000 0.870 124 D CB 1.507 42.306 40.800 -0.002 0.000 1.153 124 D HN 0.552 nan 8.370 nan 0.000 0.457 125 T N 0.698 115.330 114.554 0.130 0.000 3.003 125 T HA 0.185 4.535 4.350 0.000 0.000 0.261 125 T C 0.391 175.153 174.700 0.103 0.000 1.003 125 T CA -0.451 61.694 62.100 0.075 0.000 0.917 125 T CB -0.058 68.912 68.868 0.170 0.000 1.084 125 T HN 0.228 nan 8.240 nan 0.000 0.522 126 F N 2.219 122.150 119.950 -0.031 0.000 2.495 126 F HA 0.641 5.168 4.527 0.000 0.000 0.327 126 F C -0.080 175.631 175.800 -0.149 0.000 1.103 126 F CA -1.685 56.260 58.000 -0.092 0.000 0.949 126 F CB 1.718 40.655 39.000 -0.104 0.000 1.142 126 F HN -0.142 nan 8.300 nan 0.000 0.457 127 R N 5.110 125.069 120.500 -0.900 0.000 2.235 127 R HA 0.320 4.660 4.340 0.000 0.000 0.338 127 R C -0.877 174.962 176.300 -0.768 0.000 1.087 127 R CA -0.305 55.416 56.100 -0.632 0.000 0.948 127 R CB -0.158 29.863 30.300 -0.464 0.000 1.099 127 R HN 0.797 nan 8.270 nan 0.000 0.483 128 N N 0.321 118.662 118.700 -0.599 0.000 2.379 128 N HA 0.021 4.761 4.740 0.000 0.000 0.260 128 N C 1.228 176.282 175.510 -0.760 0.000 1.254 128 N CA 0.051 52.604 53.050 -0.829 0.000 0.958 128 N CB 0.795 38.257 38.487 -1.707 0.000 1.208 128 N HN 0.542 nan 8.380 nan 0.000 0.532 129 T N -2.733 111.418 114.554 -0.672 0.000 2.849 129 T HA -0.177 4.173 4.350 0.000 0.000 0.270 129 T C 1.161 175.765 174.700 -0.162 0.000 1.066 129 T CA 1.249 63.168 62.100 -0.302 0.000 1.130 129 T CB -0.489 68.307 68.868 -0.121 0.000 0.864 129 T HN 0.795 nan 8.240 nan 0.000 0.481 130 W N 1.122 122.401 121.300 -0.035 0.000 3.290 130 W HA 0.553 5.213 4.660 0.000 0.000 0.287 130 W C -0.704 175.802 176.519 -0.023 0.000 1.288 130 W CA -1.284 56.043 57.345 -0.030 0.000 1.725 130 W CB -0.195 29.245 29.460 -0.034 0.000 1.103 130 W HN -0.087 nan 8.180 nan 0.000 0.670 131 D N 2.053 122.390 120.400 -0.104 0.000 2.272 131 D HA 0.338 4.978 4.640 0.000 0.000 0.247 131 D C -2.028 174.253 176.300 -0.031 0.000 0.990 131 D CA -1.731 52.274 54.000 0.008 0.000 0.931 131 D CB 1.885 42.713 40.800 0.047 0.000 1.195 131 D HN -0.176 nan 8.370 nan 0.000 0.477 132 P HA 0.130 nan 4.420 nan 0.000 0.301 132 P C -0.403 176.913 177.300 0.027 0.000 1.309 132 P CA -0.634 62.426 63.100 -0.066 0.000 0.782 132 P CB 0.858 32.468 31.700 -0.149 0.000 1.282 133 Q N 0.297 120.110 119.800 0.022 0.000 2.326 133 Q HA 0.030 4.371 4.340 0.000 0.000 0.314 133 Q C -0.499 175.595 176.000 0.156 0.000 1.091 133 Q CA 0.384 56.208 55.803 0.035 0.000 0.974 133 Q CB -0.127 28.616 28.738 0.009 0.000 1.220 133 Q HN 0.296 nan 8.270 nan 0.000 0.398 134 I N 1.168 121.747 120.570 0.014 0.000 2.863 134 I HA 0.640 4.810 4.170 0.000 0.000 0.311 134 I C -2.550 173.448 176.117 -0.198 0.000 1.026 134 I CA -2.889 58.344 61.300 -0.112 0.000 1.077 134 I CB 0.858 38.731 38.000 -0.212 0.000 1.262 134 I HN 0.478 nan 8.210 nan 0.000 0.461 135 P HA 0.394 nan 4.420 nan 0.000 0.276 135 P C -1.301 175.657 177.300 -0.570 0.000 1.252 135 P CA -0.049 62.682 63.100 -0.616 0.000 0.802 135 P CB 0.440 31.529 31.700 -1.018 0.000 1.035 136 H N -1.489 117.482 119.070 -0.166 0.000 3.037 136 H HA 0.530 5.086 4.556 0.000 0.000 0.355 136 H C -1.168 174.400 175.328 0.400 0.000 1.263 136 H CA -0.980 55.151 56.048 0.139 0.000 1.129 136 H CB 0.586 30.397 29.762 0.081 0.000 1.861 136 H HN 0.154 nan 8.280 nan 0.000 0.546 137 I N 0.998 121.888 120.570 0.535 0.000 2.488 137 I HA 0.543 4.713 4.170 0.000 0.000 0.299 137 I C 0.547 176.772 176.117 0.181 0.000 0.984 137 I CA -0.362 61.049 61.300 0.185 0.000 1.250 137 I CB 1.839 39.892 38.000 0.089 0.000 1.389 137 I HN 0.776 nan 8.210 nan 0.000 0.488 138 G N 5.554 114.390 108.800 0.059 0.000 2.706 138 G HA2 0.683 4.643 3.960 0.000 0.000 0.297 138 G HA3 0.683 4.643 3.960 0.000 0.000 0.297 138 G C -1.271 173.667 174.900 0.063 0.000 1.403 138 G CA -0.502 44.662 45.100 0.106 0.000 0.954 138 G HN 0.436 nan 8.290 nan 0.000 0.500 139 I N 1.801 122.423 120.570 0.087 0.000 2.339 139 I HA 0.280 4.450 4.170 0.000 0.000 0.290 139 I C -0.999 175.185 176.117 0.112 0.000 0.994 139 I CA -0.730 60.633 61.300 0.105 0.000 1.191 139 I CB 1.773 39.836 38.000 0.105 0.000 1.343 139 I HN 0.254 nan 8.210 nan 0.000 0.458 140 D N 6.594 127.085 120.400 0.152 0.000 2.278 140 D HA 0.423 5.063 4.640 0.000 0.000 0.245 140 D C -0.639 175.707 176.300 0.076 0.000 1.052 140 D CA -0.232 53.861 54.000 0.155 0.000 0.834 140 D CB 2.813 43.804 40.800 0.318 0.000 1.194 140 D HN 0.025 nan 8.370 nan 0.000 0.481 141 V N 3.505 123.367 119.914 -0.086 0.000 2.380 141 V HA 0.202 4.323 4.120 0.000 0.000 0.286 141 V C 0.166 175.992 176.094 -0.447 0.000 1.015 141 V CA -0.881 61.288 62.300 -0.218 0.000 0.834 141 V CB 0.915 32.674 31.823 -0.108 0.000 1.009 141 V HN 0.542 nan 8.190 nan 0.000 0.428 142 N N 1.858 119.976 118.700 -0.970 0.000 2.713 142 N HA -0.187 4.553 4.740 0.000 0.000 0.251 142 N C 0.087 175.210 175.510 -0.645 0.000 1.117 142 N CA 1.665 54.135 53.050 -0.967 0.000 0.770 142 N CB -0.784 37.470 38.487 -0.389 0.000 1.137 142 N HN 0.989 nan 8.380 nan 0.000 0.566 143 S N -1.920 113.459 115.700 -0.535 0.000 2.578 143 S HA 0.424 4.894 4.470 0.000 0.000 0.272 143 S C 0.315 174.913 174.600 -0.003 0.000 1.145 143 S CA -0.217 57.843 58.200 -0.232 0.000 0.835 143 S CB 1.184 64.211 63.200 -0.288 0.000 1.104 143 S HN 0.406 nan 8.310 nan 0.000 0.458 144 V N 1.059 120.903 119.914 -0.117 0.000 3.577 144 V HA 0.529 4.649 4.120 0.000 0.000 0.294 144 V C 0.343 176.380 176.094 -0.095 0.000 1.317 144 V CA 0.257 62.570 62.300 0.023 0.000 1.169 144 V CB -0.956 30.888 31.823 0.034 0.000 1.011 144 V HN 0.635 nan 8.190 nan 0.000 0.426 145 I N 2.248 122.698 120.570 -0.201 0.000 2.268 145 I HA 0.255 4.425 4.170 0.000 0.000 0.290 145 I C 0.609 176.720 176.117 -0.010 0.000 1.125 145 I CA -0.035 61.197 61.300 -0.113 0.000 1.236 145 I CB 0.380 38.276 38.000 -0.172 0.000 1.469 145 I HN 0.156 nan 8.210 nan 0.000 0.512 146 S N 2.774 118.514 115.700 0.067 0.000 2.554 146 S HA -0.069 4.401 4.470 0.000 0.000 0.290 146 S C 1.652 176.270 174.600 0.030 0.000 1.309 146 S CA 0.228 58.467 58.200 0.065 0.000 1.047 146 S CB 0.746 64.000 63.200 0.090 0.000 0.828 146 S HN 0.786 nan 8.310 nan 0.000 0.509 147 T N -0.405 114.167 114.554 0.029 0.000 2.896 147 T HA 0.145 4.495 4.350 0.000 0.000 0.263 147 T C 0.392 175.107 174.700 0.026 0.000 1.050 147 T CA 0.641 62.753 62.100 0.020 0.000 1.140 147 T CB -0.026 68.856 68.868 0.022 0.000 0.877 147 T HN 0.360 nan 8.240 nan 0.000 0.457 148 K N 1.053 121.476 120.400 0.038 0.000 2.502 148 K HA 0.634 4.954 4.320 0.000 0.000 0.257 148 K C -1.019 175.605 176.600 0.040 0.000 0.938 148 K CA -0.381 55.929 56.287 0.039 0.000 0.819 148 K CB 2.539 35.070 32.500 0.053 0.000 1.333 148 K HN 0.378 nan 8.250 nan 0.000 0.434 149 T N -1.490 113.081 114.554 0.028 0.000 2.894 149 T HA 0.759 5.109 4.350 0.000 0.000 0.309 149 T C -1.124 173.617 174.700 0.068 0.000 1.208 149 T CA -0.801 61.316 62.100 0.028 0.000 1.016 149 T CB 1.113 69.910 68.868 -0.118 0.000 1.192 149 T HN 0.550 nan 8.240 nan 0.000 0.491 150 V N -1.029 118.969 119.914 0.140 0.000 2.808 150 V HA 0.881 5.001 4.120 0.000 0.000 0.308 150 V C -3.107 173.143 176.094 0.260 0.000 1.099 150 V CA -2.505 59.906 62.300 0.185 0.000 0.920 150 V CB 2.010 33.962 31.823 0.216 0.000 1.014 150 V HN 0.941 nan 8.190 nan 0.000 0.425 151 P HA 0.539 nan 4.420 nan 0.000 0.277 151 P C -1.152 176.256 177.300 0.180 0.000 1.240 151 P CA 0.011 63.219 63.100 0.180 0.000 0.798 151 P CB 1.249 33.017 31.700 0.115 0.000 0.979 152 F N -2.036 117.854 119.950 -0.101 0.000 2.645 152 F HA 0.633 5.160 4.527 0.000 0.000 0.310 152 F C -1.262 174.419 175.800 -0.198 0.000 1.102 152 F CA -0.951 56.745 58.000 -0.507 0.000 0.952 152 F CB 0.930 39.403 39.000 -0.879 0.000 1.326 152 F HN 0.038 nan 8.300 nan 0.000 0.456 153 T N 3.917 118.506 114.554 0.059 0.000 2.756 153 T HA 0.468 4.818 4.350 0.000 0.000 0.290 153 T C -0.670 174.044 174.700 0.023 0.000 0.985 153 T CA -0.366 61.744 62.100 0.017 0.000 0.955 153 T CB 0.994 69.908 68.868 0.076 0.000 0.930 153 T HN 0.745 nan 8.240 nan 0.000 0.451 154 L N 3.434 124.640 121.223 -0.028 0.000 2.456 154 L HA 0.305 4.645 4.340 0.000 0.000 0.272 154 L C 0.255 176.912 176.870 -0.355 0.000 1.189 154 L CA 0.009 54.808 54.840 -0.069 0.000 0.846 154 L CB 0.514 42.650 42.059 0.130 0.000 1.111 154 L HN 0.486 nan 8.230 nan 0.000 0.475 155 D N 3.850 123.859 120.400 -0.652 0.000 2.479 155 D HA 0.053 4.693 4.640 0.000 0.000 0.218 155 D C -0.289 175.948 176.300 -0.105 0.000 1.131 155 D CA -0.261 53.510 54.000 -0.381 0.000 0.916 155 D CB -0.132 40.427 40.800 -0.402 0.000 1.022 155 D HN 0.456 nan 8.370 nan 0.000 0.515 156 N N 2.631 121.292 118.700 -0.065 0.000 2.386 156 N HA 0.013 4.753 4.740 0.000 0.000 0.273 156 N C 1.317 176.824 175.510 -0.004 0.000 1.331 156 N CA 1.557 54.597 53.050 -0.017 0.000 0.891 156 N CB 0.364 38.832 38.487 -0.031 0.000 1.139 156 N HN 0.749 nan 8.380 nan 0.000 0.487 157 G N 1.936 110.750 108.800 0.023 0.000 2.189 157 G HA2 -0.237 3.723 3.960 0.000 0.000 0.267 157 G HA3 -0.237 3.723 3.960 0.000 0.000 0.267 157 G C 0.593 175.516 174.900 0.038 0.000 0.975 157 G CA 0.525 45.637 45.100 0.021 0.000 0.644 157 G HN 0.875 nan 8.290 nan 0.000 0.537 158 G N -0.840 107.992 108.800 0.054 0.000 2.588 158 G HA2 0.607 4.567 3.960 0.000 0.000 0.281 158 G HA3 0.607 4.567 3.960 0.000 0.000 0.281 158 G C 0.160 175.113 174.900 0.088 0.000 1.236 158 G CA -0.666 44.474 45.100 0.067 0.000 0.969 158 G HN 0.574 nan 8.290 nan 0.000 0.504 159 I N 0.459 121.066 120.570 0.061 0.000 2.428 159 I HA 0.501 4.671 4.170 0.000 0.000 0.296 159 I C 0.447 176.490 176.117 -0.122 0.000 0.985 159 I CA -0.542 60.737 61.300 -0.035 0.000 1.260 159 I CB 1.774 39.749 38.000 -0.043 0.000 1.389 159 I HN 0.486 nan 8.210 nan 0.000 0.484 160 A N 5.805 128.332 122.820 -0.489 0.000 2.371 160 A HA 0.649 4.969 4.320 0.000 0.000 0.311 160 A C -0.992 176.085 177.584 -0.844 0.000 1.068 160 A CA -0.777 50.684 52.037 -0.960 0.000 0.744 160 A CB 0.962 18.887 19.000 -1.792 0.000 1.239 160 A HN 0.685 nan 8.150 nan 0.000 0.435 161 N N 0.870 119.170 118.700 -0.667 0.000 2.400 161 N HA 0.565 5.305 4.740 0.000 0.000 0.288 161 N C -1.094 174.099 175.510 -0.529 0.000 1.024 161 N CA -0.231 52.532 53.050 -0.478 0.000 0.894 161 N CB 1.983 40.294 38.487 -0.294 0.000 1.173 161 N HN 0.318 nan 8.380 nan 0.000 0.487 162 V N 1.712 121.276 119.914 -0.582 0.000 2.604 162 V HA 0.521 4.641 4.120 0.000 0.000 0.305 162 V C -0.298 175.526 176.094 -0.451 0.000 1.043 162 V CA -0.773 61.182 62.300 -0.574 0.000 0.888 162 V CB 2.290 33.557 31.823 -0.927 0.000 0.995 162 V HN 0.307 nan 8.190 nan 0.000 0.429 163 V N 5.756 125.518 119.914 -0.254 0.000 2.483 163 V HA 0.543 4.663 4.120 0.000 0.000 0.297 163 V C -0.505 175.521 176.094 -0.114 0.000 1.027 163 V CA -0.337 61.859 62.300 -0.173 0.000 0.855 163 V CB 1.785 33.523 31.823 -0.143 0.000 0.995 163 V HN 0.682 nan 8.190 nan 0.000 0.424 164 I N 4.546 125.073 120.570 -0.072 0.000 2.406 164 I HA 0.561 4.731 4.170 0.000 0.000 0.290 164 I C -0.305 175.773 176.117 -0.066 0.000 0.999 164 I CA -0.553 60.745 61.300 -0.003 0.000 1.124 164 I CB 1.921 39.992 38.000 0.119 0.000 1.289 164 I HN 0.519 nan 8.210 nan 0.000 0.441 165 K N 5.542 125.806 120.400 -0.227 0.000 2.427 165 K HA 0.456 4.776 4.320 0.000 0.000 0.252 165 K C -1.926 174.491 176.600 -0.304 0.000 0.931 165 K CA -0.685 55.377 56.287 -0.376 0.000 0.793 165 K CB 2.232 34.346 32.500 -0.643 0.000 1.211 165 K HN 0.446 nan 8.250 nan 0.000 0.426 166 Y N 2.631 122.561 120.300 -0.617 0.000 2.361 166 Y HA 0.320 4.870 4.550 0.000 0.000 0.337 166 Y C -1.407 174.297 175.900 -0.326 0.000 0.965 166 Y CA -1.078 56.692 58.100 -0.550 0.000 1.091 166 Y CB 1.519 39.273 38.460 -1.177 0.000 1.182 166 Y HN 0.570 nan 8.280 nan 0.000 0.450 167 D N 4.587 124.516 120.400 -0.786 0.000 2.414 167 D HA 0.406 5.046 4.640 0.000 0.000 0.232 167 D C 0.545 176.400 176.300 -0.742 0.000 1.070 167 D CA 0.169 53.844 54.000 -0.542 0.000 0.839 167 D CB 1.822 42.462 40.800 -0.267 0.000 1.079 167 D HN 0.764 nan 8.370 nan 0.000 0.521 168 A N 3.047 125.589 122.820 -0.463 0.000 1.940 168 A HA -0.174 4.146 4.320 0.000 0.000 0.219 168 A C 2.112 179.603 177.584 -0.154 0.000 1.176 168 A CA 2.065 53.964 52.037 -0.230 0.000 0.631 168 A CB -0.588 18.424 19.000 0.021 0.000 0.814 168 A HN 0.632 nan 8.150 nan 0.000 0.446 169 S N -0.329 115.288 115.700 -0.138 0.000 2.382 169 S HA -0.167 4.303 4.470 0.000 0.000 0.228 169 S C 1.754 176.293 174.600 -0.103 0.000 1.027 169 S CA 2.088 60.233 58.200 -0.091 0.000 0.991 169 S CB -1.036 62.118 63.200 -0.076 0.000 0.823 169 S HN 0.842 nan 8.310 nan 0.000 0.469 170 T N -2.322 112.138 114.554 -0.156 0.000 3.001 170 T HA 0.374 4.724 4.350 0.000 0.000 0.251 170 T C 0.536 175.155 174.700 -0.135 0.000 1.040 170 T CA 0.070 62.089 62.100 -0.135 0.000 0.985 170 T CB -0.436 68.344 68.868 -0.147 0.000 1.011 170 T HN 0.450 nan 8.240 nan 0.000 0.509 171 K N 0.609 120.881 120.400 -0.215 0.000 3.281 171 K HA -0.116 4.204 4.320 0.000 0.000 0.295 171 K C -0.525 176.049 176.600 -0.044 0.000 1.233 171 K CA 0.433 56.653 56.287 -0.111 0.000 0.866 171 K CB -2.042 30.490 32.500 0.054 0.000 1.265 171 K HN 0.554 nan 8.250 nan 0.000 0.482 172 I N 1.685 122.132 120.570 -0.204 0.000 2.371 172 I HA 0.141 4.311 4.170 0.000 0.000 0.290 172 I C 0.092 176.256 176.117 0.079 0.000 1.028 172 I CA -0.835 60.420 61.300 -0.076 0.000 1.345 172 I CB 0.758 38.637 38.000 -0.202 0.000 1.407 172 I HN 0.010 nan 8.210 nan 0.000 0.501 173 L N 8.717 130.105 121.223 0.275 0.000 2.276 173 L HA 0.413 4.753 4.340 0.000 0.000 0.286 173 L C -0.617 176.452 176.870 0.331 0.000 1.024 173 L CA 0.036 55.113 54.840 0.394 0.000 0.826 173 L CB 0.409 42.689 42.059 0.368 0.000 1.211 173 L HN 0.585 nan 8.230 nan 0.000 0.422 174 H N 3.304 122.413 119.070 0.066 0.000 2.529 174 H HA 0.745 5.301 4.556 0.000 0.000 0.348 174 H C -0.865 174.501 175.328 0.064 0.000 1.079 174 H CA -1.333 54.746 56.048 0.052 0.000 1.198 174 H CB 1.793 31.564 29.762 0.014 0.000 1.521 174 H HN 0.481 nan 8.280 nan 0.000 0.514 175 V N 2.808 122.813 119.914 0.151 0.000 2.769 175 V HA 0.691 4.811 4.120 0.000 0.000 0.312 175 V C -1.188 174.960 176.094 0.091 0.000 1.061 175 V CA -0.627 61.731 62.300 0.096 0.000 0.931 175 V CB 1.728 33.637 31.823 0.143 0.000 1.010 175 V HN 0.674 nan 8.190 nan 0.000 0.433 176 V N 6.259 126.197 119.914 0.040 0.000 2.656 176 V HA 0.609 4.729 4.120 0.000 0.000 0.307 176 V C -0.718 175.372 176.094 -0.008 0.000 1.051 176 V CA -0.548 61.769 62.300 0.028 0.000 0.893 176 V CB 1.542 33.353 31.823 -0.021 0.000 0.999 176 V HN 0.971 nan 8.190 nan 0.000 0.426 177 L N 6.164 127.401 121.223 0.024 0.000 2.356 177 L HA 0.859 5.199 4.340 0.000 0.000 0.277 177 L C -0.931 175.862 176.870 -0.128 0.000 0.996 177 L CA -0.083 54.693 54.840 -0.107 0.000 0.822 177 L CB 1.859 43.887 42.059 -0.052 0.000 1.256 177 L HN 0.444 nan 8.230 nan 0.000 0.413 178 V N 5.303 125.017 119.914 -0.335 0.000 2.709 178 V HA 0.483 4.603 4.120 0.000 0.000 0.308 178 V C -0.966 174.890 176.094 -0.398 0.000 1.062 178 V CA -0.342 61.817 62.300 -0.235 0.000 0.901 178 V CB 1.830 33.560 31.823 -0.154 0.000 1.003 178 V HN 0.539 nan 8.190 nan 0.000 0.425 179 F N 6.037 125.974 119.950 -0.022 0.000 2.307 179 F HA 0.412 4.939 4.527 0.000 0.000 0.369 179 F C -1.152 174.628 175.800 -0.032 0.000 1.076 179 F CA -2.155 55.822 58.000 -0.038 0.000 1.149 179 F CB 1.573 40.597 39.000 0.039 0.000 1.410 179 F HN 0.368 nan 8.300 nan 0.000 0.481 180 P HA -0.209 nan 4.420 nan 0.000 0.216 180 P C 1.432 178.765 177.300 0.055 0.000 1.154 180 P CA 1.465 64.587 63.100 0.036 0.000 0.865 180 P CB 0.310 32.006 31.700 -0.007 0.000 0.789 181 S N -0.503 115.241 115.700 0.073 0.000 2.442 181 S HA -0.014 4.456 4.470 0.000 0.000 0.236 181 S C 1.874 176.504 174.600 0.051 0.000 1.007 181 S CA 0.908 59.139 58.200 0.051 0.000 0.965 181 S CB -0.581 62.646 63.200 0.045 0.000 0.773 181 S HN 0.191 nan 8.310 nan 0.000 0.504 182 L N -0.481 120.791 121.223 0.081 0.000 2.609 182 L HA 0.312 4.652 4.340 0.000 0.000 0.230 182 L C 1.663 178.572 176.870 0.064 0.000 1.087 182 L CA 0.372 55.251 54.840 0.065 0.000 0.874 182 L CB -0.312 41.785 42.059 0.064 0.000 1.114 182 L HN 0.417 nan 8.230 nan 0.000 0.488 183 G N 1.486 110.331 108.800 0.074 0.000 2.153 183 G HA2 -0.288 3.672 3.960 0.000 0.000 0.252 183 G HA3 -0.288 3.672 3.960 0.000 0.000 0.252 183 G C 0.387 175.304 174.900 0.028 0.000 0.994 183 G CA 0.530 45.654 45.100 0.039 0.000 0.698 183 G HN 0.399 nan 8.290 nan 0.000 0.521 184 T N -0.910 113.692 114.554 0.079 0.000 2.910 184 T HA 0.709 5.059 4.350 0.000 0.000 0.293 184 T C 0.191 174.844 174.700 -0.079 0.000 1.015 184 T CA -0.457 61.644 62.100 0.002 0.000 1.094 184 T CB 2.315 71.274 68.868 0.151 0.000 0.968 184 T HN 0.588 nan 8.240 nan 0.000 0.521 185 I N 1.922 122.293 120.570 -0.333 0.000 2.499 185 I HA 0.403 4.573 4.170 0.000 0.000 0.288 185 I C -1.371 174.454 176.117 -0.485 0.000 1.048 185 I CA -1.127 60.013 61.300 -0.266 0.000 1.062 185 I CB 1.744 39.662 38.000 -0.137 0.000 1.238 185 I HN 0.642 nan 8.210 nan 0.000 0.426 186 Y N 3.037 123.383 120.300 0.077 0.000 2.409 186 Y HA 0.632 5.182 4.550 0.000 0.000 0.343 186 Y C 0.261 176.209 175.900 0.081 0.000 0.973 186 Y CA -0.795 57.372 58.100 0.111 0.000 1.064 186 Y CB 2.399 40.961 38.460 0.171 0.000 1.207 186 Y HN 0.412 nan 8.280 nan 0.000 0.452 187 T N 4.582 119.269 114.554 0.222 0.000 2.912 187 T HA 0.770 5.120 4.350 0.000 0.000 0.299 187 T C -1.634 173.163 174.700 0.162 0.000 1.052 187 T CA -0.531 61.665 62.100 0.159 0.000 0.996 187 T CB 0.881 69.811 68.868 0.103 0.000 1.070 187 T HN 0.674 nan 8.240 nan 0.000 0.465 188 I N 2.874 123.534 120.570 0.149 0.000 2.775 188 I HA 0.779 4.949 4.170 0.000 0.000 0.295 188 I C -1.563 174.634 176.117 0.134 0.000 1.287 188 I CA -0.569 60.811 61.300 0.134 0.000 1.029 188 I CB 1.784 39.865 38.000 0.135 0.000 1.282 188 I HN 0.899 nan 8.210 nan 0.000 0.426 189 A N 4.403 127.290 122.820 0.111 0.000 2.594 189 A HA 0.857 5.177 4.320 0.000 0.000 0.291 189 A C -1.874 175.761 177.584 0.084 0.000 1.105 189 A CA -0.356 51.749 52.037 0.112 0.000 0.694 189 A CB 1.994 21.038 19.000 0.072 0.000 1.291 189 A HN 0.692 nan 8.150 nan 0.000 0.410 190 D N -0.616 119.839 120.400 0.092 0.000 2.694 190 D HA 0.404 5.044 4.640 0.000 0.000 0.260 190 D C -1.479 174.874 176.300 0.089 0.000 1.250 190 D CA -0.332 53.714 54.000 0.076 0.000 0.763 190 D CB 1.093 41.941 40.800 0.080 0.000 1.311 190 D HN 0.470 nan 8.370 nan 0.000 0.420 191 I N 1.402 122.014 120.570 0.069 0.000 2.342 191 I HA 0.455 4.625 4.170 0.000 0.000 0.291 191 I C -0.418 175.761 176.117 0.104 0.000 1.010 191 I CA -0.696 60.653 61.300 0.082 0.000 1.308 191 I CB 1.378 39.402 38.000 0.040 0.000 1.400 191 I HN 0.086 nan 8.210 nan 0.000 0.488 192 V N 5.096 125.113 119.914 0.171 0.000 2.668 192 V HA 0.231 4.351 4.120 0.000 0.000 0.304 192 V C -0.575 175.611 176.094 0.153 0.000 1.071 192 V CA -0.716 61.663 62.300 0.130 0.000 0.894 192 V CB 2.229 34.116 31.823 0.106 0.000 1.008 192 V HN 0.631 nan 8.190 nan 0.000 0.425 193 D N 4.156 124.594 120.400 0.063 0.000 2.485 193 D HA 0.337 4.977 4.640 0.000 0.000 0.221 193 D C 1.127 177.401 176.300 -0.044 0.000 1.112 193 D CA -0.185 53.836 54.000 0.034 0.000 0.911 193 D CB 1.240 42.030 40.800 -0.018 0.000 1.019 193 D HN 0.482 nan 8.370 nan 0.000 0.516 194 L N 2.978 124.172 121.223 -0.048 0.000 2.043 194 L HA -0.204 4.136 4.340 0.000 0.000 0.212 194 L C 2.511 179.249 176.870 -0.220 0.000 1.075 194 L CA 1.165 55.953 54.840 -0.087 0.000 0.752 194 L CB -0.352 41.680 42.059 -0.044 0.000 0.891 194 L HN 0.353 nan 8.230 nan 0.000 0.432 195 K N 0.175 120.294 120.400 -0.468 0.000 2.211 195 K HA -0.261 4.059 4.320 0.000 0.000 0.204 195 K C 2.136 178.299 176.600 -0.729 0.000 1.047 195 K CA 1.551 57.147 56.287 -1.153 0.000 0.935 195 K CB -0.009 31.904 32.500 -0.979 0.000 0.728 195 K HN 0.346 nan 8.250 nan 0.000 0.452 196 Q N 0.263 119.857 119.800 -0.344 0.000 2.331 196 Q HA -0.050 4.290 4.340 0.000 0.000 0.203 196 Q C 1.581 177.527 176.000 -0.090 0.000 0.944 196 Q CA 0.951 56.641 55.803 -0.188 0.000 0.892 196 Q CB 0.556 29.221 28.738 -0.122 0.000 0.983 196 Q HN 0.349 nan 8.270 nan 0.000 0.482 197 V N -3.089 116.788 119.914 -0.062 0.000 3.484 197 V HA 0.338 4.458 4.120 0.000 0.000 0.252 197 V C 0.684 176.824 176.094 0.076 0.000 1.282 197 V CA -0.127 62.173 62.300 -0.000 0.000 1.104 197 V CB 0.220 32.031 31.823 -0.020 0.000 0.868 197 V HN -0.001 nan 8.190 nan 0.000 0.457 198 L N 1.729 123.034 121.223 0.135 0.000 2.319 198 L HA 0.631 4.971 4.340 0.000 0.000 0.267 198 L C -2.450 174.708 176.870 0.481 0.000 1.011 198 L CA -2.111 52.881 54.840 0.253 0.000 0.818 198 L CB 2.447 44.650 42.059 0.239 0.000 1.316 198 L HN -0.026 nan 8.230 nan 0.000 0.432 199 P HA 0.132 nan 4.420 nan 0.000 0.277 199 P C -0.233 177.099 177.300 0.053 0.000 1.271 199 P CA -0.336 62.910 63.100 0.243 0.000 0.795 199 P CB 0.924 32.675 31.700 0.086 0.000 1.101 200 E N -0.579 119.322 120.200 -0.498 0.000 2.110 200 E HA -0.057 4.293 4.350 0.000 0.000 0.193 200 E C 0.407 176.820 176.600 -0.313 0.000 0.988 200 E CA 1.156 57.041 56.400 -0.859 0.000 0.804 200 E CB -0.091 29.097 29.700 -0.854 0.000 0.745 200 E HN 0.308 nan 8.360 nan 0.000 0.458 201 S N 0.015 115.614 115.700 -0.168 0.000 2.472 201 S HA 0.454 4.924 4.470 0.000 0.000 0.303 201 S C -0.457 174.124 174.600 -0.031 0.000 1.099 201 S CA -0.816 57.338 58.200 -0.076 0.000 1.077 201 S CB 1.704 64.859 63.200 -0.074 0.000 1.031 201 S HN 0.146 nan 8.310 nan 0.000 0.487 202 V N 1.471 121.375 119.914 -0.017 0.000 3.165 202 V HA 0.681 4.801 4.120 0.000 0.000 0.309 202 V C -0.991 175.063 176.094 -0.066 0.000 1.267 202 V CA -1.191 61.093 62.300 -0.026 0.000 1.067 202 V CB 1.735 33.558 31.823 -0.000 0.000 1.082 202 V HN 0.785 nan 8.190 nan 0.000 0.451 203 N N -0.580 118.053 118.700 -0.111 0.000 2.370 203 N HA 0.807 5.547 4.740 0.000 0.000 0.303 203 N C -1.090 174.229 175.510 -0.318 0.000 1.103 203 N CA -0.692 52.258 53.050 -0.166 0.000 0.848 203 N CB 2.387 40.775 38.487 -0.165 0.000 1.235 203 N HN 0.935 nan 8.380 nan 0.000 0.496 204 V N -1.339 118.377 119.914 -0.330 0.000 2.823 204 V HA 1.053 5.173 4.120 0.000 0.000 0.312 204 V C 0.249 176.035 176.094 -0.513 0.000 1.072 204 V CA -0.379 61.611 62.300 -0.518 0.000 0.937 204 V CB 1.064 32.679 31.823 -0.347 0.000 1.013 204 V HN 0.833 nan 8.190 nan 0.000 0.430 205 G N 2.028 110.184 108.800 -1.073 0.000 2.348 205 G HA2 0.585 4.545 3.960 0.000 0.000 0.296 205 G HA3 0.585 4.545 3.960 0.000 0.000 0.296 205 G C -1.954 172.167 174.900 -1.299 0.000 1.258 205 G CA -0.652 43.834 45.100 -1.025 0.000 0.868 205 G HN 0.781 nan 8.290 nan 0.000 0.488 206 F N -0.152 119.572 119.950 -0.377 0.000 2.611 206 F HA 0.872 5.400 4.527 0.000 0.000 0.324 206 F C 0.506 176.368 175.800 0.103 0.000 1.061 206 F CA -0.835 57.075 58.000 -0.150 0.000 0.954 206 F CB 2.631 41.426 39.000 -0.342 0.000 1.301 206 F HN 0.554 nan 8.300 nan 0.000 0.482 207 S N 0.563 116.413 115.700 0.249 0.000 2.533 207 S HA 0.889 5.359 4.470 0.000 0.000 0.271 207 S C -1.469 173.120 174.600 -0.020 0.000 1.143 207 S CA -0.258 57.984 58.200 0.071 0.000 0.891 207 S CB 1.329 64.460 63.200 -0.115 0.000 1.105 207 S HN 1.112 nan 8.310 nan 0.000 0.468 208 A N 2.059 124.841 122.820 -0.064 0.000 2.593 208 A HA 1.050 5.370 4.320 0.000 0.000 0.290 208 A C -0.975 176.521 177.584 -0.147 0.000 1.126 208 A CA -0.239 51.683 52.037 -0.192 0.000 0.695 208 A CB 1.290 20.053 19.000 -0.395 0.000 1.290 208 A HN 1.887 nan 8.150 nan 0.000 0.414 209 A N -0.216 122.478 122.820 -0.211 0.000 2.589 209 A HA 0.833 5.153 4.320 0.000 0.000 0.296 209 A C -0.252 177.324 177.584 -0.013 0.000 1.062 209 A CA 0.198 52.191 52.037 -0.073 0.000 0.686 209 A CB 0.781 19.767 19.000 -0.025 0.000 1.282 209 A HN 1.980 nan 8.150 nan 0.000 0.404 210 T N -0.626 113.964 114.554 0.060 0.000 2.922 210 T HA 0.718 5.068 4.350 0.000 0.000 0.281 210 T C 0.856 175.584 174.700 0.047 0.000 1.005 210 T CA -0.119 62.064 62.100 0.138 0.000 0.982 210 T CB 0.962 69.953 68.868 0.205 0.000 1.158 210 T HN 1.919 nan 8.240 nan 0.000 0.566 211 G N 0.283 109.133 108.800 0.084 0.000 2.187 211 G HA2 0.201 4.161 3.960 0.000 0.000 0.239 211 G HA3 0.201 4.161 3.960 0.000 0.000 0.239 211 G C -0.309 174.572 174.900 -0.031 0.000 1.200 211 G CA -0.105 45.004 45.100 0.014 0.000 0.888 211 G HN 0.935 nan 8.290 nan 0.000 0.482 212 D N 2.267 122.589 120.400 -0.130 0.000 2.302 212 D HA 0.301 4.941 4.640 0.000 0.000 0.248 212 D C -1.052 175.142 176.300 -0.177 0.000 1.094 212 D CA -1.531 52.367 54.000 -0.170 0.000 0.897 212 D CB 1.458 42.174 40.800 -0.140 0.000 1.200 212 D HN 0.074 nan 8.370 nan 0.000 0.429 213 P HA -0.179 nan 4.420 nan 0.000 0.217 213 P C 1.132 178.392 177.300 -0.067 0.000 1.148 213 P CA 1.063 63.907 63.100 -0.428 0.000 0.828 213 P CB 0.009 31.362 31.700 -0.578 0.000 0.783 214 S N -1.183 114.479 115.700 -0.064 0.000 2.440 214 S HA -0.119 4.351 4.470 0.000 0.000 0.238 214 S C 2.141 176.764 174.600 0.039 0.000 1.010 214 S CA 1.401 59.597 58.200 -0.006 0.000 0.972 214 S CB -1.772 61.419 63.200 -0.015 0.000 0.774 214 S HN 0.243 nan 8.310 nan 0.000 0.501 215 G N 0.966 109.799 108.800 0.054 0.000 2.650 215 G HA2 0.099 4.059 3.960 0.000 0.000 0.214 215 G HA3 0.099 4.059 3.960 0.000 0.000 0.214 215 G C 0.458 175.459 174.900 0.168 0.000 1.136 215 G CA -0.081 45.076 45.100 0.095 0.000 0.789 215 G HN 0.562 nan 8.290 nan 0.000 0.536 216 K N -0.640 119.900 120.400 0.235 0.000 3.035 216 K HA -0.150 4.170 4.320 0.000 0.000 0.262 216 K C -0.636 176.061 176.600 0.160 0.000 1.024 216 K CA 0.756 57.191 56.287 0.247 0.000 0.748 216 K CB -0.970 31.609 32.500 0.132 0.000 1.247 216 K HN 0.360 nan 8.250 nan 0.000 0.482 217 Q N 0.037 119.963 119.800 0.211 0.000 2.294 217 Q HA 0.219 4.559 4.340 0.000 0.000 0.264 217 Q C 0.283 176.176 176.000 -0.179 0.000 0.992 217 Q CA -0.349 55.444 55.803 -0.017 0.000 0.747 217 Q CB 1.573 30.347 28.738 0.059 0.000 1.262 217 Q HN 0.153 nan 8.270 nan 0.000 0.452 218 R N 0.766 120.859 120.500 -0.678 0.000 2.236 218 R HA 0.009 4.349 4.340 0.000 0.000 0.208 218 R C 0.944 176.979 176.300 -0.443 0.000 1.036 218 R CA 0.657 56.123 56.100 -1.056 0.000 1.001 218 R CB 0.343 29.915 30.300 -1.214 0.000 0.896 218 R HN 0.360 nan 8.270 nan 0.000 0.464 219 N N 0.632 119.153 118.700 -0.299 0.000 2.463 219 N HA 0.020 4.760 4.740 0.000 0.000 0.181 219 N C -0.035 175.528 175.510 0.088 0.000 1.078 219 N CA 0.423 53.377 53.050 -0.160 0.000 0.902 219 N CB 0.352 38.710 38.487 -0.215 0.000 0.970 219 N HN 0.100 nan 8.380 nan 0.000 0.451 220 A N 0.432 123.319 122.820 0.112 0.000 3.030 220 A HA 0.328 4.648 4.320 0.000 0.000 0.273 220 A C 0.479 178.211 177.584 0.248 0.000 1.841 220 A CA 0.219 52.401 52.037 0.241 0.000 1.479 220 A CB -0.628 18.529 19.000 0.261 0.000 1.048 220 A HN 0.092 nan 8.150 nan 0.000 0.612 221 T N -0.030 114.679 114.554 0.260 0.000 2.739 221 T HA 0.639 4.989 4.350 0.000 0.000 0.303 221 T C -1.425 173.380 174.700 0.174 0.000 1.389 221 T CA 0.078 62.327 62.100 0.248 0.000 1.001 221 T CB 1.372 70.410 68.868 0.284 0.000 1.436 221 T HN 0.947 nan 8.240 nan 0.000 0.500 222 E N -0.265 119.996 120.200 0.101 0.000 2.421 222 E HA 0.413 4.763 4.350 0.000 0.000 0.278 222 E C -1.419 175.075 176.600 -0.176 0.000 1.141 222 E CA -1.000 55.362 56.400 -0.062 0.000 0.880 222 E CB 0.448 30.094 29.700 -0.091 0.000 1.381 222 E HN 0.731 nan 8.360 nan 0.000 0.436 223 T N -1.158 113.242 114.554 -0.256 0.000 2.918 223 T HA 0.561 4.911 4.350 0.000 0.000 0.283 223 T C -0.491 173.895 174.700 -0.524 0.000 1.001 223 T CA -0.531 61.430 62.100 -0.232 0.000 1.041 223 T CB 0.723 69.531 68.868 -0.101 0.000 1.028 223 T HN 0.545 nan 8.240 nan 0.000 0.511 224 H N 0.134 119.214 119.070 0.017 0.000 2.488 224 H HA 0.382 4.938 4.556 0.000 0.000 0.237 224 H C -1.175 174.125 175.328 -0.046 0.000 1.395 224 H CA -0.771 55.267 56.048 -0.018 0.000 1.491 224 H CB 0.285 30.028 29.762 -0.033 0.000 1.567 224 H HN 0.546 nan 8.280 nan 0.000 0.508 225 D N 2.178 122.605 120.400 0.045 0.000 2.163 225 D HA 0.253 4.893 4.640 0.000 0.000 0.248 225 D C 0.205 176.516 176.300 0.019 0.000 1.035 225 D CA -0.480 53.530 54.000 0.017 0.000 0.872 225 D CB 1.962 42.785 40.800 0.038 0.000 1.183 225 D HN 0.291 nan 8.370 nan 0.000 0.445 226 I N 2.919 123.442 120.570 -0.079 0.000 2.339 226 I HA 0.076 4.246 4.170 0.000 0.000 0.290 226 I C 1.021 177.223 176.117 0.143 0.000 0.994 226 I CA -0.498 60.748 61.300 -0.090 0.000 1.191 226 I CB 1.632 39.341 38.000 -0.486 0.000 1.343 226 I HN 0.222 nan 8.210 nan 0.000 0.458 227 L N 3.973 125.314 121.223 0.198 0.000 2.202 227 L HA 0.119 4.459 4.340 0.000 0.000 0.205 227 L C 1.005 178.025 176.870 0.251 0.000 1.083 227 L CA 0.971 55.941 54.840 0.217 0.000 0.790 227 L CB -0.862 41.271 42.059 0.123 0.000 0.942 227 L HN 0.761 nan 8.230 nan 0.000 0.452 228 S N -2.940 112.933 115.700 0.289 0.000 2.588 228 S HA 0.551 5.021 4.470 0.000 0.000 0.269 228 S C -2.049 172.871 174.600 0.532 0.000 1.157 228 S CA -0.717 57.630 58.200 0.246 0.000 0.824 228 S CB 2.531 65.815 63.200 0.141 0.000 1.126 228 S HN 0.137 nan 8.310 nan 0.000 0.464 229 W N 1.865 123.357 121.300 0.321 0.000 3.827 229 W HA 0.621 5.281 4.660 0.000 0.000 0.307 229 W C -1.605 175.206 176.519 0.487 0.000 1.204 229 W CA -0.167 57.490 57.345 0.520 0.000 1.250 229 W CB 1.249 31.147 29.460 0.730 0.000 1.281 229 W HN 1.271 nan 8.180 nan 0.000 0.494 230 S N 4.999 120.885 115.700 0.310 0.000 2.526 230 S HA 0.873 5.344 4.470 0.000 0.000 0.293 230 S C -1.562 172.886 174.600 -0.253 0.000 1.092 230 S CA -0.594 57.550 58.200 -0.093 0.000 0.980 230 S CB 2.471 65.646 63.200 -0.041 0.000 1.048 230 S HN 0.629 nan 8.310 nan 0.000 0.483 231 F N 1.171 120.578 119.950 -0.906 0.000 2.599 231 F HA 0.788 5.315 4.527 0.000 0.000 0.311 231 F C -0.548 174.824 175.800 -0.713 0.000 1.076 231 F CA -0.131 57.353 58.000 -0.860 0.000 0.937 231 F CB 2.226 40.345 39.000 -1.468 0.000 1.282 231 F HN 0.827 nan 8.300 nan 0.000 0.460 232 S N 3.065 118.102 115.700 -1.105 0.000 2.533 232 S HA 0.897 5.367 4.470 0.000 0.000 0.271 232 S C -1.795 172.410 174.600 -0.658 0.000 1.143 232 S CA -0.094 57.724 58.200 -0.637 0.000 0.891 232 S CB 1.395 64.376 63.200 -0.366 0.000 1.105 232 S HN 1.344 nan 8.310 nan 0.000 0.468 233 A N 2.481 125.157 122.820 -0.241 0.000 2.488 233 A HA 0.744 5.064 4.320 0.000 0.000 0.295 233 A C -0.985 176.632 177.584 0.055 0.000 1.045 233 A CA -0.551 51.476 52.037 -0.017 0.000 0.703 233 A CB 1.801 20.901 19.000 0.167 0.000 1.271 233 A HN 0.652 nan 8.150 nan 0.000 0.400 234 S N 1.828 117.574 115.700 0.076 0.000 2.566 234 S HA 0.504 4.974 4.470 0.000 0.000 0.324 234 S C -0.678 173.985 174.600 0.105 0.000 1.081 234 S CA -0.324 57.917 58.200 0.068 0.000 1.105 234 S CB 0.756 63.976 63.200 0.034 0.000 0.981 234 S HN 0.630 nan 8.310 nan 0.000 0.464 235 L N 6.505 127.792 121.223 0.107 0.000 2.335 235 L HA 0.391 4.731 4.340 0.000 0.000 0.268 235 L C -2.201 174.722 176.870 0.089 0.000 1.037 235 L CA -2.282 52.631 54.840 0.122 0.000 0.895 235 L CB 1.125 43.263 42.059 0.133 0.000 1.266 235 L HN 0.359 nan 8.230 nan 0.000 0.439 236 P HA 0.127 nan 4.420 nan 0.000 0.262 236 P C 0.359 177.695 177.300 0.061 0.000 1.199 236 P CA 0.812 63.947 63.100 0.058 0.000 0.763 236 P CB 0.678 32.408 31.700 0.049 0.000 0.790 237 G N 0.000 108.830 108.800 0.049 0.000 5.446 237 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 237 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 237 G CA 0.000 45.128 45.100 0.046 0.000 0.502 237 G HN 0.000 nan 8.290 nan 0.000 0.925