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 2dty_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 0.000 176.631 176.600 0.051 0.000 0.988 1 K CA 0.000 56.315 56.287 0.046 0.000 0.838 1 K CB 0.000 32.532 32.500 0.053 0.000 1.064 2 T N 1.975 116.550 114.554 0.035 0.000 2.856 2 T HA 0.720 5.070 4.350 0.000 0.000 0.292 2 T C -0.018 174.700 174.700 0.030 0.000 0.980 2 T CA -0.266 61.847 62.100 0.023 0.000 1.091 2 T CB 0.341 69.208 68.868 -0.003 0.000 0.936 2 T HN 0.680 nan 8.240 nan 0.000 0.503 3 I N 2.605 123.194 120.570 0.032 0.000 2.647 3 I HA 0.740 4.910 4.170 0.000 0.000 0.295 3 I C -0.931 175.176 176.117 -0.015 0.000 1.078 3 I CA -0.345 60.992 61.300 0.062 0.000 1.048 3 I CB 1.736 39.831 38.000 0.157 0.000 1.239 3 I HN 0.773 nan 8.210 nan 0.000 0.421 4 S N 5.769 121.452 115.700 -0.029 0.000 2.552 4 S HA 0.732 5.202 4.470 0.000 0.000 0.272 4 S C -1.149 173.365 174.600 -0.144 0.000 1.150 4 S CA -0.744 57.334 58.200 -0.204 0.000 0.849 4 S CB 1.482 64.553 63.200 -0.216 0.000 1.113 4 S HN 0.792 nan 8.310 nan 0.000 0.458 5 F N -0.434 119.374 119.950 -0.237 0.000 2.645 5 F HA 0.900 5.427 4.527 0.000 0.000 0.310 5 F C -0.982 174.588 175.800 -0.384 0.000 1.102 5 F CA -0.977 56.801 58.000 -0.369 0.000 0.952 5 F CB 1.389 40.051 39.000 -0.563 0.000 1.326 5 F HN 0.775 nan 8.300 nan 0.000 0.456 6 N N 0.711 119.281 118.700 -0.218 0.000 2.425 6 N HA 0.566 5.306 4.740 0.000 0.000 0.289 6 N C -2.356 172.967 175.510 -0.310 0.000 1.074 6 N CA -0.456 52.481 53.050 -0.187 0.000 0.905 6 N CB 1.379 39.785 38.487 -0.136 0.000 1.586 6 N HN 0.610 nan 8.380 nan 0.000 0.490 7 F N 2.419 122.355 119.950 -0.023 0.000 2.359 7 F HA 0.404 4.931 4.527 0.000 0.000 0.369 7 F C 1.054 176.705 175.800 -0.248 0.000 1.084 7 F CA -0.685 57.204 58.000 -0.184 0.000 1.096 7 F CB 1.191 40.007 39.000 -0.307 0.000 1.335 7 F HN 0.567 nan 8.300 nan 0.000 0.457 8 N N 1.429 120.091 118.700 -0.064 0.000 2.494 8 N HA -0.037 4.703 4.740 0.000 0.000 0.182 8 N C 0.205 175.631 175.510 -0.139 0.000 1.076 8 N CA 0.392 53.404 53.050 -0.064 0.000 0.908 8 N CB 0.367 38.830 38.487 -0.039 0.000 0.967 8 N HN 0.598 nan 8.380 nan 0.000 0.449 9 Q N -0.739 118.894 119.800 -0.278 0.000 2.630 9 Q HA 0.334 4.674 4.340 0.000 0.000 0.295 9 Q C -1.862 173.775 176.000 -0.605 0.000 0.944 9 Q CA -0.662 54.935 55.803 -0.343 0.000 0.766 9 Q CB 0.994 29.623 28.738 -0.181 0.000 1.471 9 Q HN -0.075 nan 8.270 nan 0.000 0.416 10 F N 1.376 121.263 119.950 -0.104 0.000 2.482 10 F HA 0.480 5.007 4.527 0.000 0.000 0.331 10 F C -0.082 175.649 175.800 -0.115 0.000 1.115 10 F CA -0.508 57.422 58.000 -0.117 0.000 0.955 10 F CB 1.397 40.361 39.000 -0.060 0.000 1.136 10 F HN 0.407 nan 8.300 nan 0.000 0.452 11 H N 1.090 120.329 119.070 0.282 0.000 2.502 11 H HA 0.250 4.806 4.556 0.000 0.000 0.338 11 H C -0.424 174.991 175.328 0.145 0.000 1.155 11 H CA -0.850 55.305 56.048 0.179 0.000 1.237 11 H CB 1.395 31.247 29.762 0.149 0.000 1.534 11 H HN 0.466 nan 8.280 nan 0.000 0.523 12 Q N 0.959 120.907 119.800 0.246 0.000 2.263 12 Q HA 0.118 4.458 4.340 0.000 0.000 0.289 12 Q C 0.486 176.561 176.000 0.125 0.000 1.061 12 Q CA 1.196 57.084 55.803 0.142 0.000 0.927 12 Q CB -0.471 28.327 28.738 0.100 0.000 1.154 12 Q HN 0.945 nan 8.270 nan 0.000 0.378 13 N N 2.470 121.225 118.700 0.091 0.000 2.681 13 N HA -0.165 4.575 4.740 0.000 0.000 0.259 13 N C -0.682 174.890 175.510 0.104 0.000 1.066 13 N CA 0.773 53.867 53.050 0.073 0.000 0.717 13 N CB -1.578 36.942 38.487 0.055 0.000 0.885 13 N HN 0.604 nan 8.380 nan 0.000 0.547 14 E N 0.119 120.395 120.200 0.126 0.000 2.299 14 E HA 0.045 4.395 4.350 0.000 0.000 0.272 14 E C 1.049 177.722 176.600 0.122 0.000 1.043 14 E CA -0.310 56.196 56.400 0.176 0.000 0.895 14 E CB 0.907 30.730 29.700 0.204 0.000 1.011 14 E HN 0.678 nan 8.360 nan 0.000 0.432 15 E N 2.451 122.725 120.200 0.123 0.000 2.268 15 E HA -0.156 4.194 4.350 0.000 0.000 0.195 15 E C 0.744 177.370 176.600 0.043 0.000 0.995 15 E CA 0.704 57.144 56.400 0.067 0.000 0.836 15 E CB 0.458 30.193 29.700 0.058 0.000 0.763 15 E HN 0.416 nan 8.360 nan 0.000 0.491 16 Q N -0.469 119.402 119.800 0.118 0.000 2.425 16 Q HA 0.145 4.485 4.340 0.000 0.000 0.204 16 Q C 0.588 176.597 176.000 0.015 0.000 0.933 16 Q CA 0.257 56.109 55.803 0.083 0.000 0.939 16 Q CB 0.702 29.655 28.738 0.358 0.000 1.044 16 Q HN 0.254 nan 8.270 nan 0.000 0.513 17 L N 0.295 121.535 121.223 0.029 0.000 2.319 17 L HA 0.459 4.799 4.340 0.000 0.000 0.267 17 L C 0.122 176.966 176.870 -0.044 0.000 1.011 17 L CA -0.721 54.108 54.840 -0.020 0.000 0.818 17 L CB 1.624 43.658 42.059 -0.041 0.000 1.316 17 L HN -0.311 nan 8.230 nan 0.000 0.432 18 K N 2.667 123.037 120.400 -0.049 0.000 2.521 18 K HA 0.415 4.735 4.320 0.000 0.000 0.248 18 K C -1.421 175.156 176.600 -0.038 0.000 0.978 18 K CA -0.831 55.427 56.287 -0.048 0.000 0.947 18 K CB 1.631 34.095 32.500 -0.059 0.000 1.165 18 K HN 0.227 nan 8.250 nan 0.000 0.445 19 L N 2.874 124.074 121.223 -0.039 0.000 2.326 19 L HA 0.326 4.666 4.340 0.000 0.000 0.278 19 L C 0.231 177.084 176.870 -0.028 0.000 1.092 19 L CA 0.080 54.896 54.840 -0.041 0.000 0.810 19 L CB 1.115 43.145 42.059 -0.047 0.000 1.153 19 L HN 0.445 nan 8.230 nan 0.000 0.439 20 Q N 3.478 123.264 119.800 -0.022 0.000 2.372 20 Q HA 0.631 4.971 4.340 0.000 0.000 0.273 20 Q C -0.298 175.692 176.000 -0.016 0.000 1.078 20 Q CA -0.970 54.823 55.803 -0.017 0.000 0.806 20 Q CB 2.746 31.478 28.738 -0.010 0.000 1.332 20 Q HN 0.404 nan 8.270 nan 0.000 0.435 21 R N 0.762 121.253 120.500 -0.016 0.000 3.910 21 R HA -0.214 4.126 4.340 0.000 0.000 0.415 21 R C 0.340 176.634 176.300 -0.011 0.000 0.241 21 R CA 1.762 57.853 56.100 -0.015 0.000 1.327 21 R CB -1.532 28.758 30.300 -0.017 0.000 1.012 21 R HN 0.867 nan 8.270 nan 0.000 0.557 22 D N 1.460 121.856 120.400 -0.006 0.000 2.371 22 D HA 0.172 4.812 4.640 0.000 0.000 0.221 22 D C 0.455 176.752 176.300 -0.004 0.000 0.986 22 D CA 1.095 55.096 54.000 0.002 0.000 0.899 22 D CB -0.183 40.626 40.800 0.015 0.000 0.902 22 D HN 0.584 nan 8.370 nan 0.000 0.530 23 A N 1.404 124.214 122.820 -0.017 0.000 2.511 23 A HA 0.394 4.714 4.320 0.000 0.000 0.242 23 A C 0.597 178.156 177.584 -0.043 0.000 1.069 23 A CA 0.085 52.100 52.037 -0.038 0.000 0.763 23 A CB 0.127 19.096 19.000 -0.052 0.000 1.001 23 A HN 0.224 nan 8.150 nan 0.000 0.498 24 R N 1.434 121.900 120.500 -0.055 0.000 2.690 24 R HA 0.571 4.911 4.340 0.000 0.000 0.269 24 R C -1.785 174.479 176.300 -0.060 0.000 1.037 24 R CA -0.895 55.177 56.100 -0.046 0.000 0.877 24 R CB 1.004 31.294 30.300 -0.015 0.000 1.255 24 R HN 0.448 nan 8.270 nan 0.000 0.467 25 I N 2.169 122.716 120.570 -0.038 0.000 2.321 25 I HA 0.175 4.346 4.170 0.000 0.000 0.291 25 I C 0.789 176.923 176.117 0.028 0.000 0.998 25 I CA -0.604 60.687 61.300 -0.016 0.000 1.227 25 I CB 1.868 39.880 38.000 0.020 0.000 1.368 25 I HN 0.788 nan 8.210 nan 0.000 0.466 26 S N 3.430 119.152 115.700 0.036 0.000 2.600 26 S HA 0.071 4.542 4.470 0.000 0.000 0.265 26 S C 1.336 175.977 174.600 0.068 0.000 1.325 26 S CA -0.132 58.096 58.200 0.047 0.000 1.002 26 S CB 1.298 64.525 63.200 0.044 0.000 0.921 26 S HN 0.753 nan 8.310 nan 0.000 0.554 27 S N 0.964 116.700 115.700 0.060 0.000 2.399 27 S HA -0.192 4.278 4.470 0.000 0.000 0.231 27 S C 1.322 175.970 174.600 0.079 0.000 1.022 27 S CA 0.978 59.218 58.200 0.067 0.000 0.983 27 S CB -0.959 62.272 63.200 0.051 0.000 0.803 27 S HN 0.934 nan 8.310 nan 0.000 0.480 28 N N 0.924 119.668 118.700 0.073 0.000 2.346 28 N HA 0.188 4.928 4.740 0.000 0.000 0.225 28 N C 0.723 176.290 175.510 0.094 0.000 1.144 28 N CA 0.861 53.956 53.050 0.076 0.000 0.837 28 N CB -0.223 38.299 38.487 0.059 0.000 1.069 28 N HN 0.663 nan 8.380 nan 0.000 0.487 29 S N -1.569 114.202 115.700 0.119 0.000 2.857 29 S HA -0.190 4.280 4.470 0.000 0.000 0.268 29 S C 0.261 174.984 174.600 0.205 0.000 1.297 29 S CA 0.992 59.285 58.200 0.154 0.000 1.280 29 S CB -2.559 60.714 63.200 0.122 0.000 1.562 29 S HN 0.952 nan 8.310 nan 0.000 0.661 30 V N -0.634 119.373 119.914 0.154 0.000 2.644 30 V HA 0.888 5.008 4.120 0.000 0.000 0.295 30 V C 0.408 176.543 176.094 0.069 0.000 1.053 30 V CA -0.878 61.522 62.300 0.166 0.000 0.987 30 V CB 1.659 33.542 31.823 0.100 0.000 1.006 30 V HN 1.167 nan 8.190 nan 0.000 0.472 31 L N 4.085 125.281 121.223 -0.044 0.000 2.268 31 L HA 0.486 4.826 4.340 0.000 0.000 0.289 31 L C 0.221 176.979 176.870 -0.187 0.000 1.064 31 L CA 0.234 54.883 54.840 -0.319 0.000 0.824 31 L CB -0.012 41.521 42.059 -0.877 0.000 1.202 31 L HN 0.850 nan 8.230 nan 0.000 0.433 32 E N 5.698 125.831 120.200 -0.111 0.000 2.044 32 E HA 0.129 4.479 4.350 0.000 0.000 0.282 32 E C 0.788 177.355 176.600 -0.054 0.000 1.031 32 E CA -0.187 56.182 56.400 -0.052 0.000 0.824 32 E CB 1.082 30.775 29.700 -0.012 0.000 1.076 32 E HN 0.716 nan 8.360 nan 0.000 0.395 33 L N 1.875 123.071 121.223 -0.045 0.000 2.056 33 L HA -0.088 4.252 4.340 0.000 0.000 0.207 33 L C 1.397 178.279 176.870 0.021 0.000 1.078 33 L CA 1.119 55.940 54.840 -0.032 0.000 0.749 33 L CB -0.382 41.656 42.059 -0.034 0.000 0.901 33 L HN 0.498 nan 8.230 nan 0.000 0.433 34 T N -2.819 111.787 114.554 0.088 0.000 2.940 34 T HA 0.326 4.676 4.350 0.000 0.000 0.288 34 T C -0.313 174.439 174.700 0.088 0.000 1.033 34 T CA -0.952 61.214 62.100 0.111 0.000 1.033 34 T CB 2.198 71.202 68.868 0.227 0.000 1.079 34 T HN -0.105 nan 8.240 nan 0.000 0.496 35 K N 0.589 121.038 120.400 0.081 0.000 2.484 35 K HA 0.363 4.683 4.320 0.000 0.000 0.280 35 K C -0.822 175.828 176.600 0.082 0.000 1.013 35 K CA -0.290 56.040 56.287 0.073 0.000 1.029 35 K CB 0.173 32.719 32.500 0.075 0.000 0.902 35 K HN 0.556 nan 8.250 nan 0.000 0.481 36 V N 5.896 125.847 119.914 0.063 0.000 2.567 36 V HA 0.462 4.582 4.120 0.000 0.000 0.298 36 V C -1.366 174.759 176.094 0.052 0.000 1.047 36 V CA -0.657 61.679 62.300 0.060 0.000 0.880 36 V CB 1.673 33.520 31.823 0.041 0.000 1.009 36 V HN 0.544 nan 8.190 nan 0.000 0.429 37 V N 3.328 123.277 119.914 0.058 0.000 2.384 37 V HA 0.633 4.753 4.120 0.000 0.000 0.287 37 V C 0.263 176.384 176.094 0.045 0.000 1.020 37 V CA 0.150 62.479 62.300 0.049 0.000 0.850 37 V CB 0.766 32.620 31.823 0.051 0.000 0.987 37 V HN 1.089 nan 8.190 nan 0.000 0.436 38 N N 3.622 122.344 118.700 0.036 0.000 2.740 38 N HA -0.182 4.558 4.740 0.000 0.000 0.248 38 N C 1.034 176.564 175.510 0.032 0.000 1.062 38 N CA 0.556 53.625 53.050 0.032 0.000 0.704 38 N CB -1.136 37.370 38.487 0.031 0.000 0.968 38 N HN 1.949 nan 8.380 nan 0.000 0.547 39 G N -1.743 107.074 108.800 0.030 0.000 2.153 39 G HA2 -0.299 3.661 3.960 0.000 0.000 0.252 39 G HA3 -0.299 3.661 3.960 0.000 0.000 0.252 39 G C -0.037 174.877 174.900 0.024 0.000 0.994 39 G CA 0.461 45.574 45.100 0.021 0.000 0.698 39 G HN 0.459 nan 8.290 nan 0.000 0.521 40 V N 1.571 121.513 119.914 0.047 0.000 2.531 40 V HA 0.569 4.689 4.120 0.000 0.000 0.301 40 V C -1.897 174.254 176.094 0.094 0.000 1.034 40 V CA -1.831 60.516 62.300 0.078 0.000 0.865 40 V CB 2.397 34.297 31.823 0.130 0.000 0.995 40 V HN 0.163 nan 8.190 nan 0.000 0.424 41 P HA 0.243 nan 4.420 nan 0.000 0.276 41 P C -0.279 177.130 177.300 0.182 0.000 1.235 41 P CA 0.120 63.288 63.100 0.114 0.000 0.772 41 P CB 0.969 32.709 31.700 0.066 0.000 0.871 42 T N 3.508 118.168 114.554 0.177 0.000 2.934 42 T HA 0.427 4.777 4.350 0.000 0.000 0.283 42 T C 0.174 175.069 174.700 0.325 0.000 1.005 42 T CA -0.286 61.951 62.100 0.227 0.000 1.041 42 T CB 0.548 69.545 68.868 0.214 0.000 1.042 42 T HN 0.482 nan 8.240 nan 0.000 0.505 43 W N 1.312 122.646 121.300 0.056 0.000 2.181 43 W HA 0.453 5.113 4.660 0.000 0.000 0.415 43 W C 0.336 176.870 176.519 0.025 0.000 1.689 43 W CA -1.565 55.805 57.345 0.042 0.000 1.859 43 W CB -1.201 28.271 29.460 0.020 0.000 1.425 43 W HN 0.709 nan 8.180 nan 0.000 0.713 44 N N -0.128 118.444 118.700 -0.214 0.000 2.725 44 N HA -0.241 4.499 4.740 0.000 0.000 0.249 44 N C -1.247 174.188 175.510 -0.125 0.000 1.103 44 N CA 1.252 54.068 53.050 -0.389 0.000 0.707 44 N CB -1.345 36.679 38.487 -0.772 0.000 1.043 44 N HN 0.681 nan 8.380 nan 0.000 0.553 45 S N -0.768 114.921 115.700 -0.018 0.000 2.503 45 S HA 0.818 5.288 4.470 0.000 0.000 0.301 45 S C -0.785 173.820 174.600 0.008 0.000 1.087 45 S CA 0.099 58.311 58.200 0.019 0.000 1.042 45 S CB 1.400 64.649 63.200 0.081 0.000 1.043 45 S HN 0.252 nan 8.310 nan 0.000 0.489 46 T N 2.644 117.196 114.554 -0.003 0.000 3.032 46 T HA 0.709 5.060 4.350 0.000 0.000 0.312 46 T C -0.358 174.336 174.700 -0.010 0.000 1.078 46 T CA -0.726 61.366 62.100 -0.013 0.000 1.028 46 T CB 1.495 70.347 68.868 -0.028 0.000 1.091 46 T HN 0.873 nan 8.240 nan 0.000 0.457 47 G N 1.950 110.743 108.800 -0.013 0.000 2.696 47 G HA2 0.777 4.737 3.960 0.000 0.000 0.295 47 G HA3 0.777 4.737 3.960 0.000 0.000 0.295 47 G C -1.595 173.300 174.900 -0.009 0.000 1.398 47 G CA -0.941 44.152 45.100 -0.013 0.000 0.920 47 G HN 0.640 nan 8.290 nan 0.000 0.492 48 R N -0.716 119.784 120.500 0.000 0.000 2.836 48 R HA 0.836 5.176 4.340 0.000 0.000 0.269 48 R C -1.017 175.292 176.300 0.016 0.000 1.010 48 R CA -0.871 55.252 56.100 0.038 0.000 0.930 48 R CB 2.627 32.971 30.300 0.074 0.000 1.218 48 R HN 0.866 nan 8.270 nan 0.000 0.473 49 A N 2.100 124.942 122.820 0.036 0.000 2.402 49 A HA 0.577 4.897 4.320 0.000 0.000 0.291 49 A C -1.538 176.055 177.584 0.014 0.000 1.051 49 A CA -0.643 51.393 52.037 -0.001 0.000 0.716 49 A CB 1.032 19.999 19.000 -0.056 0.000 1.223 49 A HN 0.307 nan 8.150 nan 0.000 0.425 50 L N 1.709 122.939 121.223 0.010 0.000 2.342 50 L HA 0.426 4.766 4.340 0.000 0.000 0.271 50 L C -0.294 176.622 176.870 0.076 0.000 1.008 50 L CA -0.677 54.160 54.840 -0.005 0.000 0.818 50 L CB 1.172 43.195 42.059 -0.061 0.000 1.296 50 L HN 0.794 nan 8.230 nan 0.000 0.427 51 Y N 1.437 121.729 120.300 -0.013 0.000 2.465 51 Y HA 0.235 4.785 4.550 0.000 0.000 0.331 51 Y C 1.301 177.117 175.900 -0.140 0.000 1.102 51 Y CA 0.124 58.131 58.100 -0.155 0.000 1.358 51 Y CB 1.261 39.481 38.460 -0.401 0.000 1.213 51 Y HN 0.784 nan 8.280 nan 0.000 0.525 52 A N 5.921 128.372 122.820 -0.616 0.000 1.948 52 A HA -0.170 4.150 4.320 0.000 0.000 0.220 52 A C 0.937 178.232 177.584 -0.480 0.000 1.177 52 A CA 1.429 53.182 52.037 -0.473 0.000 0.636 52 A CB -0.493 18.279 19.000 -0.380 0.000 0.815 52 A HN 0.731 nan 8.150 nan 0.000 0.449 53 K N 0.461 120.389 120.400 -0.787 0.000 2.130 53 K HA 0.410 4.730 4.320 0.000 0.000 0.268 53 K C -2.769 173.776 176.600 -0.091 0.000 0.983 53 K CA -2.196 53.881 56.287 -0.350 0.000 0.893 53 K CB 1.088 33.443 32.500 -0.242 0.000 1.066 53 K HN 0.165 nan 8.250 nan 0.000 0.450 54 P HA 0.067 nan 4.420 nan 0.000 0.277 54 P C -0.737 176.619 177.300 0.094 0.000 1.240 54 P CA -0.523 62.589 63.100 0.021 0.000 0.798 54 P CB 1.145 32.835 31.700 -0.016 0.000 0.979 55 V N 0.106 120.078 119.914 0.096 0.000 2.769 55 V HA 0.441 4.561 4.120 0.000 0.000 0.312 55 V C -0.532 175.624 176.094 0.102 0.000 1.061 55 V CA -0.956 61.428 62.300 0.141 0.000 0.931 55 V CB 1.766 33.711 31.823 0.203 0.000 1.010 55 V HN 0.530 nan 8.190 nan 0.000 0.433 56 Q N 2.394 122.260 119.800 0.110 0.000 2.360 56 Q HA 0.425 4.765 4.340 0.000 0.000 0.254 56 Q C 0.590 176.681 176.000 0.152 0.000 0.975 56 Q CA -0.242 55.608 55.803 0.078 0.000 0.912 56 Q CB 1.755 30.515 28.738 0.038 0.000 1.212 56 Q HN 1.045 nan 8.270 nan 0.000 0.452 57 V N 2.840 122.874 119.914 0.198 0.000 2.951 57 V HA 0.212 4.332 4.120 0.000 0.000 0.255 57 V C 0.269 176.640 176.094 0.461 0.000 1.088 57 V CA 0.148 62.650 62.300 0.336 0.000 1.109 57 V CB -0.748 31.294 31.823 0.363 0.000 0.724 57 V HN 0.697 nan 8.190 nan 0.000 0.471 58 W N -0.385 120.984 121.300 0.115 0.000 3.146 58 W HA 0.672 5.332 4.660 0.000 0.000 0.319 58 W C -2.427 174.138 176.519 0.077 0.000 1.258 58 W CA -1.307 56.099 57.345 0.102 0.000 1.189 58 W CB 1.308 30.830 29.460 0.102 0.000 1.412 58 W HN 0.075 nan 8.180 nan 0.000 0.567 59 D N 0.882 121.398 120.400 0.193 0.000 2.425 59 D HA 0.325 4.966 4.640 0.000 0.000 0.240 59 D C 1.189 177.540 176.300 0.084 0.000 1.080 59 D CA -0.148 53.849 54.000 -0.006 0.000 0.836 59 D CB 2.131 42.960 40.800 0.049 0.000 1.125 59 D HN 0.375 nan 8.370 nan 0.000 0.525 60 S N 1.764 117.385 115.700 -0.133 0.000 2.419 60 S HA -0.172 4.298 4.470 0.000 0.000 0.233 60 S C 1.604 176.260 174.600 0.094 0.000 1.016 60 S CA 1.189 59.421 58.200 0.052 0.000 0.974 60 S CB -0.382 62.763 63.200 -0.091 0.000 0.786 60 S HN 0.503 nan 8.310 nan 0.000 0.492 61 T N 2.421 116.999 114.554 0.039 0.000 2.737 61 T HA -0.072 4.278 4.350 0.000 0.000 0.265 61 T C 2.191 176.932 174.700 0.068 0.000 1.038 61 T CA 2.026 64.153 62.100 0.044 0.000 1.144 61 T CB -0.801 68.080 68.868 0.021 0.000 0.866 61 T HN 0.866 nan 8.240 nan 0.000 0.434 62 T N -1.737 112.868 114.554 0.084 0.000 3.037 62 T HA 0.408 4.758 4.350 0.000 0.000 0.251 62 T C 1.890 176.662 174.700 0.121 0.000 1.079 62 T CA 0.909 63.062 62.100 0.089 0.000 1.067 62 T CB 0.019 68.935 68.868 0.080 0.000 0.948 62 T HN 0.521 nan 8.240 nan 0.000 0.496 63 G N 1.666 110.577 108.800 0.184 0.000 2.184 63 G HA2 -0.284 3.676 3.960 0.000 0.000 0.264 63 G HA3 -0.284 3.676 3.960 0.000 0.000 0.264 63 G C -0.051 174.979 174.900 0.218 0.000 0.975 63 G CA 0.107 45.343 45.100 0.228 0.000 0.642 63 G HN 0.699 nan 8.290 nan 0.000 0.536 64 N N -0.381 118.438 118.700 0.199 0.000 2.508 64 N HA 0.435 5.175 4.740 0.000 0.000 0.264 64 N C -0.045 175.619 175.510 0.256 0.000 1.216 64 N CA -0.077 53.079 53.050 0.177 0.000 0.943 64 N CB 1.406 39.974 38.487 0.135 0.000 1.113 64 N HN 0.105 nan 8.380 nan 0.000 0.447 65 V N 1.123 121.166 119.914 0.215 0.000 2.667 65 V HA 0.574 4.694 4.120 0.000 0.000 0.308 65 V C 0.207 176.459 176.094 0.265 0.000 1.048 65 V CA -0.874 61.592 62.300 0.277 0.000 0.928 65 V CB 1.560 33.515 31.823 0.221 0.000 1.004 65 V HN 0.764 nan 8.190 nan 0.000 0.444 66 A N 2.831 125.851 122.820 0.333 0.000 2.322 66 A HA 0.706 5.026 4.320 0.000 0.000 0.269 66 A C 0.246 178.050 177.584 0.368 0.000 1.094 66 A CA -0.177 52.048 52.037 0.312 0.000 0.807 66 A CB 0.553 19.755 19.000 0.337 0.000 1.047 66 A HN 0.742 nan 8.150 nan 0.000 0.487 67 S N -0.050 115.795 115.700 0.242 0.000 2.501 67 S HA 0.804 5.274 4.470 0.000 0.000 0.301 67 S C -0.842 173.875 174.600 0.194 0.000 1.096 67 S CA -0.284 57.997 58.200 0.135 0.000 1.063 67 S CB 0.752 63.946 63.200 -0.011 0.000 1.042 67 S HN 0.814 nan 8.310 nan 0.000 0.494 68 F N -0.041 119.968 119.950 0.098 0.000 2.662 68 F HA 0.799 5.326 4.527 0.000 0.000 0.312 68 F C -0.871 174.870 175.800 -0.098 0.000 1.113 68 F CA -0.997 56.950 58.000 -0.088 0.000 0.951 68 F CB 1.303 40.234 39.000 -0.114 0.000 1.344 68 F HN 0.505 nan 8.300 nan 0.000 0.462 69 E N 0.688 120.898 120.200 0.017 0.000 2.292 69 E HA 0.541 4.891 4.350 0.000 0.000 0.272 69 E C -1.889 174.696 176.600 -0.025 0.000 0.881 69 E CA -0.673 55.719 56.400 -0.013 0.000 0.754 69 E CB 2.424 32.068 29.700 -0.093 0.000 1.201 69 E HN 0.916 nan 8.360 nan 0.000 0.425 70 T N 3.283 117.899 114.554 0.103 0.000 2.952 70 T HA 0.552 4.902 4.350 0.000 0.000 0.305 70 T C -1.410 173.409 174.700 0.199 0.000 1.064 70 T CA -0.590 61.633 62.100 0.204 0.000 1.008 70 T CB 0.851 69.933 68.868 0.357 0.000 1.078 70 T HN 0.446 nan 8.240 nan 0.000 0.459 71 R N 2.914 123.593 120.500 0.297 0.000 2.686 71 R HA 0.786 5.126 4.340 0.000 0.000 0.283 71 R C -1.288 175.303 176.300 0.485 0.000 0.978 71 R CA -0.789 55.433 56.100 0.204 0.000 0.897 71 R CB 1.840 32.184 30.300 0.074 0.000 1.192 71 R HN 0.655 nan 8.270 nan 0.000 0.457 72 F N -2.074 118.012 119.950 0.227 0.000 2.713 72 F HA 0.638 5.165 4.527 0.000 0.000 0.311 72 F C -1.233 174.619 175.800 0.087 0.000 1.141 72 F CA -0.973 57.182 58.000 0.258 0.000 0.939 72 F CB 1.774 40.992 39.000 0.362 0.000 1.325 72 F HN 0.207 nan 8.300 nan 0.000 0.453 73 S N 1.442 117.318 115.700 0.293 0.000 2.500 73 S HA 0.817 5.287 4.470 0.000 0.000 0.301 73 S C -1.294 173.420 174.600 0.190 0.000 1.092 73 S CA -0.594 57.632 58.200 0.043 0.000 1.030 73 S CB 1.434 64.632 63.200 -0.004 0.000 1.031 73 S HN 0.733 nan 8.310 nan 0.000 0.483 74 F N -0.057 119.905 119.950 0.019 0.000 2.675 74 F HA 0.918 5.445 4.527 0.000 0.000 0.324 74 F C -0.453 175.341 175.800 -0.010 0.000 1.106 74 F CA -1.151 56.850 58.000 0.002 0.000 0.970 74 F CB 1.304 40.303 39.000 -0.001 0.000 1.385 74 F HN 0.437 nan 8.300 nan 0.000 0.489 75 S N 1.061 117.017 115.700 0.427 0.000 2.572 75 S HA 0.748 5.219 4.470 0.000 0.000 0.274 75 S C -1.606 173.167 174.600 0.289 0.000 1.150 75 S CA -0.571 57.802 58.200 0.289 0.000 0.944 75 S CB 0.864 64.138 63.200 0.123 0.000 1.071 75 S HN 0.682 nan 8.310 nan 0.000 0.479 76 I N 4.256 124.994 120.570 0.279 0.000 2.411 76 I HA 0.471 4.641 4.170 0.000 0.000 0.284 76 I C 0.054 176.206 176.117 0.058 0.000 1.012 76 I CA -0.581 60.792 61.300 0.122 0.000 1.119 76 I CB 1.667 39.776 38.000 0.181 0.000 1.261 76 I HN 0.463 nan 8.210 nan 0.000 0.448 77 R N 5.724 126.209 120.500 -0.024 0.000 2.294 77 R HA 0.418 4.758 4.340 0.000 0.000 0.319 77 R C -0.812 175.432 176.300 -0.094 0.000 0.984 77 R CA -0.479 55.592 56.100 -0.048 0.000 0.861 77 R CB 1.123 31.388 30.300 -0.059 0.000 1.104 77 R HN 0.575 nan 8.270 nan 0.000 0.451 78 Q N 5.257 125.002 119.800 -0.092 0.000 2.506 78 Q HA 0.216 4.556 4.340 0.000 0.000 0.242 78 Q C -1.899 173.966 176.000 -0.225 0.000 1.060 78 Q CA -1.875 53.858 55.803 -0.117 0.000 0.826 78 Q CB 2.043 30.762 28.738 -0.033 0.000 1.169 78 Q HN 0.499 nan 8.270 nan 0.000 0.521 79 P HA -0.106 nan 4.420 nan 0.000 0.217 79 P C -0.485 176.368 177.300 -0.744 0.000 1.151 79 P CA 1.077 63.715 63.100 -0.770 0.000 0.828 79 P CB 0.309 31.196 31.700 -1.355 0.000 0.788 80 F N -0.168 119.783 119.950 0.002 0.000 2.311 80 F HA 0.347 4.874 4.527 0.000 0.000 0.371 80 F C -1.316 174.487 175.800 0.006 0.000 1.083 80 F CA -2.902 55.095 58.000 -0.005 0.000 1.113 80 F CB 0.378 39.368 39.000 -0.017 0.000 1.349 80 F HN -0.096 nan 8.300 nan 0.000 0.470 81 P HA -0.138 nan 4.420 nan 0.000 0.215 81 P C 0.234 177.582 177.300 0.081 0.000 1.153 81 P CA 1.150 64.295 63.100 0.075 0.000 0.853 81 P CB 0.483 32.208 31.700 0.041 0.000 0.788 82 R N 0.273 120.816 120.500 0.071 0.000 2.474 82 R HA 0.277 4.617 4.340 0.000 0.000 0.295 82 R C -1.432 174.855 176.300 -0.021 0.000 0.980 82 R CA -1.750 54.359 56.100 0.015 0.000 0.934 82 R CB 1.285 31.583 30.300 -0.003 0.000 1.101 82 R HN 0.052 nan 8.270 nan 0.000 0.469 83 P HA -0.018 nan 4.420 nan 0.000 0.239 83 P C -0.978 176.222 177.300 -0.166 0.000 1.188 83 P CA 0.848 63.808 63.100 -0.233 0.000 0.794 83 P CB 0.485 31.927 31.700 -0.431 0.000 0.937 84 H N -3.543 115.608 119.070 0.135 0.000 3.027 84 H HA 0.320 4.876 4.556 0.000 0.000 0.290 84 H C -3.489 171.971 175.328 0.220 0.000 1.190 84 H CA -1.757 54.397 56.048 0.176 0.000 1.637 84 H CB -0.002 29.902 29.762 0.236 0.000 2.214 84 H HN -0.207 nan 8.280 nan 0.000 0.451 85 P HA 0.598 nan 4.420 nan 0.000 0.276 85 P C -0.859 176.633 177.300 0.320 0.000 1.261 85 P CA -0.142 63.132 63.100 0.291 0.000 0.800 85 P CB 1.169 32.980 31.700 0.186 0.000 1.066 86 A N 0.260 123.229 122.820 0.247 0.000 2.597 86 A HA 0.395 4.715 4.320 0.000 0.000 0.292 86 A C -0.486 177.241 177.584 0.239 0.000 1.057 86 A CA -0.372 51.780 52.037 0.191 0.000 0.674 86 A CB 0.586 19.527 19.000 -0.098 0.000 1.278 86 A HN 0.464 nan 8.150 nan 0.000 0.416 87 D N -0.228 120.315 120.400 0.240 0.000 2.469 87 D HA 0.415 5.055 4.640 0.000 0.000 0.240 87 D C 0.816 177.349 176.300 0.388 0.000 1.087 87 D CA 1.549 55.671 54.000 0.204 0.000 0.876 87 D CB 1.437 42.244 40.800 0.011 0.000 1.160 87 D HN 1.438 nan 8.370 nan 0.000 0.497 88 G N 0.814 109.836 108.800 0.369 0.000 2.347 88 G HA2 0.237 4.197 3.960 0.000 0.000 0.341 88 G HA3 0.237 4.197 3.960 0.000 0.000 0.341 88 G C -1.857 172.987 174.900 -0.094 0.000 1.287 88 G CA -0.538 44.742 45.100 0.301 0.000 0.984 88 G HN 0.144 nan 8.290 nan 0.000 0.526 89 L N -1.976 119.182 121.223 -0.108 0.000 2.350 89 L HA 1.014 5.354 4.340 0.000 0.000 0.260 89 L C 0.134 176.898 176.870 -0.176 0.000 1.015 89 L CA -1.266 53.457 54.840 -0.195 0.000 0.821 89 L CB 1.809 43.784 42.059 -0.139 0.000 1.370 89 L HN 1.956 nan 8.230 nan 0.000 0.416 90 V N -1.312 118.531 119.914 -0.118 0.000 3.049 90 V HA 0.706 4.826 4.120 0.000 0.000 0.309 90 V C -1.213 174.974 176.094 0.154 0.000 1.148 90 V CA -0.605 61.676 62.300 -0.032 0.000 0.990 90 V CB 1.821 33.472 31.823 -0.287 0.000 1.039 90 V HN 0.984 nan 8.190 nan 0.000 0.430 91 F N 5.641 125.637 119.950 0.077 0.000 2.421 91 F HA 0.926 5.453 4.527 0.000 0.000 0.337 91 F C -0.883 174.924 175.800 0.012 0.000 1.105 91 F CA -1.355 56.532 58.000 -0.188 0.000 1.049 91 F CB 1.521 40.452 39.000 -0.116 0.000 1.139 91 F HN 0.801 nan 8.300 nan 0.000 0.479 92 F N 4.985 124.170 119.950 -1.276 0.000 2.643 92 F HA 0.809 5.336 4.527 0.000 0.000 0.314 92 F C -2.102 173.212 175.800 -0.810 0.000 1.096 92 F CA -1.783 55.733 58.000 -0.806 0.000 0.953 92 F CB 1.206 39.967 39.000 -0.399 0.000 1.345 92 F HN 0.309 nan 8.300 nan 0.000 0.468 93 I N 2.165 122.562 120.570 -0.289 0.000 2.466 93 I HA 0.799 4.969 4.170 0.000 0.000 0.289 93 I C -0.518 175.692 176.117 0.155 0.000 1.026 93 I CA -0.838 60.324 61.300 -0.230 0.000 1.078 93 I CB 1.589 39.535 38.000 -0.091 0.000 1.249 93 I HN 1.047 nan 8.210 nan 0.000 0.429 94 A N 7.091 129.971 122.820 0.100 0.000 2.583 94 A HA 0.909 5.229 4.320 0.000 0.000 0.289 94 A C -2.976 174.642 177.584 0.058 0.000 1.151 94 A CA -1.626 50.544 52.037 0.222 0.000 0.695 94 A CB 1.611 20.835 19.000 0.373 0.000 1.290 94 A HN 0.361 nan 8.150 nan 0.000 0.419 95 P HA 0.279 nan 4.420 nan 0.000 0.272 95 P C -2.507 174.742 177.300 -0.084 0.000 1.223 95 P CA -0.821 62.267 63.100 -0.021 0.000 0.784 95 P CB -0.015 31.675 31.700 -0.016 0.000 0.923 96 P HA -0.020 nan 4.420 nan 0.000 0.272 96 P C -0.602 176.639 177.300 -0.099 0.000 1.223 96 P CA 0.063 63.115 63.100 -0.081 0.000 0.784 96 P CB 0.125 31.788 31.700 -0.062 0.000 0.923 97 N N -1.780 116.861 118.700 -0.098 0.000 2.708 97 N HA -0.113 4.627 4.740 0.000 0.000 0.255 97 N C -0.214 175.218 175.510 -0.130 0.000 1.046 97 N CA 0.350 53.343 53.050 -0.095 0.000 0.715 97 N CB -1.534 36.909 38.487 -0.073 0.000 0.895 97 N HN 0.682 nan 8.380 nan 0.000 0.545 98 T N -2.813 111.633 114.554 -0.181 0.000 2.950 98 T HA 0.483 4.833 4.350 0.000 0.000 0.288 98 T C -0.228 174.390 174.700 -0.137 0.000 1.035 98 T CA -0.898 61.034 62.100 -0.280 0.000 1.028 98 T CB 2.550 70.983 68.868 -0.725 0.000 1.109 98 T HN -0.001 nan 8.240 nan 0.000 0.514 99 Q N 0.906 120.669 119.800 -0.062 0.000 2.248 99 Q HA 0.380 4.720 4.340 0.000 0.000 0.263 99 Q C -0.205 175.816 176.000 0.035 0.000 1.007 99 Q CA -0.597 55.201 55.803 -0.008 0.000 0.877 99 Q CB 1.710 30.447 28.738 -0.001 0.000 1.315 99 Q HN 0.818 nan 8.270 nan 0.000 0.454 100 T N 1.323 115.879 114.554 0.004 0.000 2.908 100 T HA 0.183 4.533 4.350 0.000 0.000 0.301 100 T C 0.585 175.274 174.700 -0.017 0.000 1.019 100 T CA 0.272 62.367 62.100 -0.009 0.000 1.152 100 T CB 0.326 69.180 68.868 -0.023 0.000 0.966 100 T HN 0.644 nan 8.240 nan 0.000 0.540 101 G N 1.839 110.613 108.800 -0.043 0.000 2.531 101 G HA2 0.416 4.376 3.960 0.000 0.000 0.253 101 G HA3 0.416 4.376 3.960 0.000 0.000 0.253 101 G C -0.101 174.738 174.900 -0.101 0.000 1.439 101 G CA -0.581 44.454 45.100 -0.109 0.000 1.056 101 G HN 0.678 nan 8.290 nan 0.000 0.555 102 E N -0.984 119.131 120.200 -0.141 0.000 2.415 102 E HA 0.419 4.769 4.350 0.000 0.000 0.262 102 E C 0.946 177.565 176.600 0.032 0.000 1.038 102 E CA 0.713 57.067 56.400 -0.076 0.000 0.921 102 E CB 0.585 30.181 29.700 -0.172 0.000 0.950 102 E HN 0.511 nan 8.360 nan 0.000 0.438 103 G N 1.994 110.810 108.800 0.025 0.000 2.582 103 G HA2 0.498 4.458 3.960 0.000 0.000 0.232 103 G HA3 0.498 4.458 3.960 0.000 0.000 0.232 103 G C 0.608 175.513 174.900 0.007 0.000 1.458 103 G CA -0.121 44.982 45.100 0.005 0.000 1.062 103 G HN 0.961 nan 8.290 nan 0.000 0.566 104 G N -0.759 107.993 108.800 -0.081 0.000 2.596 104 G HA2 0.020 3.980 3.960 0.000 0.000 0.295 104 G HA3 0.020 3.980 3.960 0.000 0.000 0.295 104 G C 1.498 176.219 174.900 -0.297 0.000 1.240 104 G CA 1.014 46.013 45.100 -0.169 0.000 0.985 104 G HN 1.796 nan 8.290 nan 0.000 0.555 105 G N -1.347 107.225 108.800 -0.380 0.000 2.564 105 G HA2 0.065 4.025 3.960 0.000 0.000 0.216 105 G HA3 0.065 4.025 3.960 0.000 0.000 0.216 105 G C 1.251 175.642 174.900 -0.849 0.000 1.124 105 G CA 1.759 46.537 45.100 -0.537 0.000 0.764 105 G HN 0.625 nan 8.290 nan 0.000 0.550 106 Y N -1.248 118.845 120.300 -0.345 0.000 2.466 106 Y HA 0.308 4.858 4.550 0.000 0.000 0.272 106 Y C 1.095 176.852 175.900 -0.239 0.000 1.169 106 Y CA -1.285 56.649 58.100 -0.277 0.000 1.285 106 Y CB -0.171 38.257 38.460 -0.053 0.000 1.078 106 Y HN 0.151 nan 8.280 nan 0.000 0.523 107 F N -0.955 119.018 119.950 0.038 0.000 2.945 107 F HA -0.328 4.199 4.527 0.000 0.000 0.334 107 F C 1.699 177.431 175.800 -0.114 0.000 0.683 107 F CA 1.046 59.007 58.000 -0.066 0.000 1.044 107 F CB -1.809 37.133 39.000 -0.097 0.000 1.478 107 F HN 0.160 nan 8.300 nan 0.000 0.324 108 G N 0.147 108.975 108.800 0.045 0.000 2.141 108 G HA2 -0.302 3.658 3.960 0.000 0.000 0.242 108 G HA3 -0.302 3.658 3.960 0.000 0.000 0.242 108 G C 0.695 175.503 174.900 -0.153 0.000 0.982 108 G CA 0.413 45.487 45.100 -0.043 0.000 0.662 108 G HN 1.040 nan 8.290 nan 0.000 0.527 109 I N -4.072 116.363 120.570 -0.224 0.000 4.187 109 I HA 0.552 4.723 4.170 0.000 0.000 0.326 109 I C 0.695 176.543 176.117 -0.449 0.000 1.302 109 I CA -0.567 60.440 61.300 -0.489 0.000 1.196 109 I CB 0.394 37.812 38.000 -0.970 0.000 1.095 109 I HN 0.039 nan 8.210 nan 0.000 0.411 110 Y N 3.030 123.110 120.300 -0.366 0.000 2.360 110 Y HA 0.474 5.024 4.550 0.000 0.000 0.337 110 Y C -0.592 175.061 175.900 -0.412 0.000 1.039 110 Y CA -1.386 56.511 58.100 -0.339 0.000 1.109 110 Y CB 1.115 39.502 38.460 -0.121 0.000 1.201 110 Y HN 0.079 nan 8.280 nan 0.000 0.458 111 N N 7.634 125.704 118.700 -1.050 0.000 2.623 111 N HA 0.269 5.009 4.740 0.000 0.000 0.256 111 N C -2.446 172.486 175.510 -0.963 0.000 1.045 111 N CA -1.969 50.605 53.050 -0.795 0.000 0.863 111 N CB 1.706 39.899 38.487 -0.489 0.000 1.182 111 N HN 0.369 nan 8.380 nan 0.000 0.523 112 P HA -0.186 nan 4.420 nan 0.000 0.216 112 P C 1.859 178.946 177.300 -0.355 0.000 1.150 112 P CA 1.242 63.999 63.100 -0.572 0.000 0.843 112 P CB 0.240 31.744 31.700 -0.327 0.000 0.787 113 L N -0.757 120.288 121.223 -0.296 0.000 1.955 113 L HA -0.098 4.242 4.340 0.000 0.000 0.213 113 L C 1.560 178.323 176.870 -0.178 0.000 1.072 113 L CA 2.725 57.450 54.840 -0.191 0.000 0.755 113 L CB -2.080 39.886 42.059 -0.155 0.000 0.888 113 L HN 0.283 nan 8.230 nan 0.000 0.432 114 S N -1.007 114.571 115.700 -0.204 0.000 2.259 114 S HA 0.602 5.072 4.470 0.000 0.000 0.181 114 S C -2.959 171.523 174.600 -0.196 0.000 1.589 114 S CA -1.315 56.798 58.200 -0.145 0.000 1.234 114 S CB 0.445 63.603 63.200 -0.070 0.000 1.119 114 S HN 0.409 nan 8.310 nan 0.000 0.458 115 P HA 0.298 nan 4.420 nan 0.000 0.271 115 P C -0.877 176.359 177.300 -0.107 0.000 1.216 115 P CA -0.147 62.744 63.100 -0.349 0.000 0.771 115 P CB 0.033 31.564 31.700 -0.281 0.000 0.864 116 Y N 1.846 122.156 120.300 0.018 0.000 2.524 116 Y HA 0.736 5.286 4.550 0.000 0.000 0.344 116 Y C -2.618 173.375 175.900 0.156 0.000 1.012 116 Y CA -3.825 54.316 58.100 0.069 0.000 1.068 116 Y CB -0.182 38.314 38.460 0.061 0.000 1.249 116 Y HN 0.245 nan 8.280 nan 0.000 0.468 117 P HA 0.315 nan 4.420 nan 0.000 0.272 117 P C -1.115 176.427 177.300 0.403 0.000 1.230 117 P CA 0.226 63.449 63.100 0.205 0.000 0.788 117 P CB 0.911 32.687 31.700 0.127 0.000 0.949 118 F N -1.514 118.548 119.950 0.188 0.000 2.746 118 F HA 0.518 5.045 4.527 0.000 0.000 0.311 118 F C -2.234 173.648 175.800 0.137 0.000 1.135 118 F CA -1.319 56.802 58.000 0.201 0.000 0.954 118 F CB 0.438 39.593 39.000 0.258 0.000 1.276 118 F HN 0.056 nan 8.300 nan 0.000 0.440 119 V N 2.456 122.621 119.914 0.419 0.000 2.487 119 V HA 0.942 5.062 4.120 0.000 0.000 0.298 119 V C -0.290 176.047 176.094 0.405 0.000 1.028 119 V CA -0.122 62.357 62.300 0.298 0.000 0.860 119 V CB 1.067 32.997 31.823 0.179 0.000 0.991 119 V HN 1.320 nan 8.190 nan 0.000 0.427 120 A N 4.307 127.374 122.820 0.411 0.000 2.498 120 A HA 0.914 5.234 4.320 0.000 0.000 0.298 120 A C -1.347 176.381 177.584 0.240 0.000 1.075 120 A CA -0.594 51.626 52.037 0.306 0.000 0.714 120 A CB 2.213 21.365 19.000 0.253 0.000 1.299 120 A HN 0.603 nan 8.150 nan 0.000 0.407 121 V N 2.379 122.430 119.914 0.229 0.000 2.378 121 V HA 0.426 4.546 4.120 0.000 0.000 0.288 121 V C -0.055 175.993 176.094 -0.077 0.000 1.016 121 V CA -0.357 62.017 62.300 0.123 0.000 0.840 121 V CB 1.122 33.102 31.823 0.261 0.000 0.994 121 V HN 1.020 nan 8.190 nan 0.000 0.431 122 E N 4.090 124.148 120.200 -0.237 0.000 2.212 122 E HA 0.674 5.024 4.350 0.000 0.000 0.270 122 E C -1.629 174.625 176.600 -0.576 0.000 0.956 122 E CA -0.751 55.422 56.400 -0.380 0.000 0.825 122 E CB 1.905 31.421 29.700 -0.308 0.000 1.167 122 E HN 0.394 nan 8.360 nan 0.000 0.400 123 F N 1.368 121.289 119.950 -0.048 0.000 2.564 123 F HA 0.226 4.753 4.527 0.000 0.000 0.368 123 F C -0.449 175.398 175.800 0.079 0.000 1.127 123 F CA -0.930 57.147 58.000 0.129 0.000 1.170 123 F CB 1.270 40.286 39.000 0.027 0.000 1.397 123 F HN 0.429 nan 8.300 nan 0.000 0.493 124 D N 1.367 121.841 120.400 0.123 0.000 2.295 124 D HA 0.181 4.821 4.640 0.000 0.000 0.248 124 D C 1.044 177.312 176.300 -0.054 0.000 1.154 124 D CA 0.168 54.200 54.000 0.053 0.000 0.857 124 D CB 1.550 42.267 40.800 -0.137 0.000 1.117 124 D HN 0.560 nan 8.370 nan 0.000 0.468 125 T N 0.686 115.315 114.554 0.124 0.000 3.001 125 T HA 0.175 4.525 4.350 0.000 0.000 0.251 125 T C 0.493 175.259 174.700 0.110 0.000 1.040 125 T CA -0.347 61.806 62.100 0.089 0.000 0.985 125 T CB 0.020 69.000 68.868 0.188 0.000 1.011 125 T HN 0.231 nan 8.240 nan 0.000 0.509 126 F N 2.090 122.015 119.950 -0.041 0.000 2.495 126 F HA 0.626 5.153 4.527 0.000 0.000 0.327 126 F C -0.061 175.644 175.800 -0.158 0.000 1.103 126 F CA -1.759 56.172 58.000 -0.114 0.000 0.949 126 F CB 1.759 40.670 39.000 -0.148 0.000 1.142 126 F HN -0.168 nan 8.300 nan 0.000 0.457 127 R N 4.991 124.926 120.500 -0.942 0.000 2.235 127 R HA 0.307 4.647 4.340 0.000 0.000 0.338 127 R C -0.803 175.012 176.300 -0.810 0.000 1.087 127 R CA -0.246 55.447 56.100 -0.679 0.000 0.948 127 R CB -0.210 29.783 30.300 -0.513 0.000 1.099 127 R HN 0.796 nan 8.270 nan 0.000 0.483 128 N N 0.087 118.419 118.700 -0.613 0.000 2.364 128 N HA 0.012 4.752 4.740 0.000 0.000 0.264 128 N C 1.189 176.233 175.510 -0.775 0.000 1.263 128 N CA 0.141 52.688 53.050 -0.839 0.000 0.959 128 N CB 0.810 38.231 38.487 -1.777 0.000 1.204 128 N HN 0.534 nan 8.380 nan 0.000 0.550 129 T N -2.835 111.304 114.554 -0.692 0.000 2.929 129 T HA -0.151 4.199 4.350 0.000 0.000 0.271 129 T C 1.093 175.694 174.700 -0.164 0.000 1.085 129 T CA 1.100 63.015 62.100 -0.308 0.000 1.125 129 T CB -0.447 68.351 68.868 -0.116 0.000 0.874 129 T HN 0.790 nan 8.240 nan 0.000 0.494 130 W N 0.777 122.053 121.300 -0.040 0.000 3.220 130 W HA 0.567 5.227 4.660 0.000 0.000 0.328 130 W C -0.749 175.751 176.519 -0.033 0.000 1.205 130 W CA -1.366 55.957 57.345 -0.037 0.000 1.773 130 W CB -0.085 29.350 29.460 -0.041 0.000 1.086 130 W HN -0.116 nan 8.180 nan 0.000 0.622 131 D N 2.370 122.679 120.400 -0.151 0.000 2.217 131 D HA 0.337 4.977 4.640 0.000 0.000 0.248 131 D C -2.006 174.258 176.300 -0.060 0.000 1.008 131 D CA -1.597 52.389 54.000 -0.024 0.000 0.914 131 D CB 1.895 42.697 40.800 0.003 0.000 1.182 131 D HN -0.155 nan 8.370 nan 0.000 0.451 132 P HA 0.142 nan 4.420 nan 0.000 0.301 132 P C -0.471 176.821 177.300 -0.013 0.000 1.309 132 P CA -0.645 62.402 63.100 -0.088 0.000 0.782 132 P CB 0.860 32.468 31.700 -0.152 0.000 1.282 133 Q N 0.326 120.120 119.800 -0.009 0.000 2.326 133 Q HA 0.030 4.370 4.340 0.000 0.000 0.314 133 Q C -0.508 175.561 176.000 0.114 0.000 1.091 133 Q CA 0.381 56.190 55.803 0.010 0.000 0.974 133 Q CB -0.176 28.558 28.738 -0.006 0.000 1.220 133 Q HN 0.297 nan 8.270 nan 0.000 0.398 134 I N 1.319 121.897 120.570 0.014 0.000 2.750 134 I HA 0.641 4.811 4.170 0.000 0.000 0.308 134 I C -2.540 173.472 176.117 -0.175 0.000 1.016 134 I CA -2.877 58.382 61.300 -0.068 0.000 1.098 134 I CB 0.926 38.833 38.000 -0.157 0.000 1.279 134 I HN 0.480 nan 8.210 nan 0.000 0.454 135 P HA 0.379 nan 4.420 nan 0.000 0.276 135 P C -1.333 175.647 177.300 -0.535 0.000 1.252 135 P CA -0.058 62.694 63.100 -0.581 0.000 0.802 135 P CB 0.412 31.508 31.700 -1.007 0.000 1.035 136 H N -1.382 117.565 119.070 -0.205 0.000 3.064 136 H HA 0.488 5.044 4.556 0.000 0.000 0.352 136 H C -1.224 174.325 175.328 0.369 0.000 1.260 136 H CA -0.901 55.205 56.048 0.097 0.000 1.160 136 H CB 0.516 30.314 29.762 0.060 0.000 1.879 136 H HN 0.156 nan 8.280 nan 0.000 0.544 137 I N 1.202 122.094 120.570 0.537 0.000 2.499 137 I HA 0.530 4.700 4.170 0.000 0.000 0.296 137 I C 0.579 176.815 176.117 0.199 0.000 0.992 137 I CA -0.291 61.134 61.300 0.208 0.000 1.297 137 I CB 1.775 39.837 38.000 0.102 0.000 1.410 137 I HN 0.787 nan 8.210 nan 0.000 0.507 138 G N 5.643 114.486 108.800 0.072 0.000 2.706 138 G HA2 0.650 4.610 3.960 0.000 0.000 0.297 138 G HA3 0.650 4.610 3.960 0.000 0.000 0.297 138 G C -1.232 173.708 174.900 0.068 0.000 1.403 138 G CA -0.506 44.665 45.100 0.119 0.000 0.954 138 G HN 0.434 nan 8.290 nan 0.000 0.500 139 I N 1.966 122.590 120.570 0.089 0.000 2.312 139 I HA 0.273 4.443 4.170 0.000 0.000 0.290 139 I C -0.955 175.228 176.117 0.110 0.000 1.008 139 I CA -0.718 60.645 61.300 0.105 0.000 1.226 139 I CB 1.690 39.753 38.000 0.106 0.000 1.371 139 I HN 0.242 nan 8.210 nan 0.000 0.468 140 D N 6.519 127.009 120.400 0.149 0.000 2.278 140 D HA 0.422 5.062 4.640 0.000 0.000 0.245 140 D C -0.606 175.744 176.300 0.082 0.000 1.052 140 D CA -0.231 53.861 54.000 0.153 0.000 0.834 140 D CB 2.903 43.892 40.800 0.316 0.000 1.194 140 D HN 0.039 nan 8.370 nan 0.000 0.481 141 V N 3.717 123.583 119.914 -0.080 0.000 2.380 141 V HA 0.188 4.308 4.120 0.000 0.000 0.286 141 V C 0.269 176.100 176.094 -0.439 0.000 1.015 141 V CA -0.777 61.398 62.300 -0.208 0.000 0.834 141 V CB 1.012 32.773 31.823 -0.102 0.000 1.009 141 V HN 0.532 nan 8.190 nan 0.000 0.428 142 N N 1.762 119.904 118.700 -0.930 0.000 2.857 142 N HA -0.184 4.556 4.740 0.000 0.000 0.242 142 N C 0.235 175.314 175.510 -0.717 0.000 0.983 142 N CA 1.799 54.285 53.050 -0.941 0.000 0.934 142 N CB -0.727 37.534 38.487 -0.376 0.000 1.115 142 N HN 0.994 nan 8.380 nan 0.000 0.593 143 S N -2.164 113.184 115.700 -0.586 0.000 2.570 143 S HA 0.515 4.985 4.470 0.000 0.000 0.270 143 S C 0.059 174.617 174.600 -0.069 0.000 1.149 143 S CA -0.225 57.781 58.200 -0.324 0.000 0.837 143 S CB 1.779 64.777 63.200 -0.337 0.000 1.124 143 S HN -0.094 nan 8.310 nan 0.000 0.465 144 V N 1.853 121.645 119.914 -0.204 0.000 3.623 144 V HA 0.350 4.470 4.120 0.000 0.000 0.271 144 V C 0.538 176.533 176.094 -0.166 0.000 1.248 144 V CA 0.496 62.760 62.300 -0.059 0.000 1.156 144 V CB -0.674 31.065 31.823 -0.141 0.000 0.870 144 V HN 0.690 nan 8.190 nan 0.000 0.453 145 I N 0.834 121.240 120.570 -0.274 0.000 2.276 145 I HA 0.384 4.554 4.170 0.000 0.000 0.290 145 I C 0.632 176.733 176.117 -0.027 0.000 1.109 145 I CA 0.136 61.344 61.300 -0.153 0.000 1.229 145 I CB 0.431 38.303 38.000 -0.212 0.000 1.452 145 I HN 0.002 nan 8.210 nan 0.000 0.497 146 S N 4.046 119.782 115.700 0.060 0.000 2.571 146 S HA -0.050 4.420 4.470 0.000 0.000 0.298 146 S C 1.628 176.244 174.600 0.027 0.000 1.280 146 S CA 0.590 58.827 58.200 0.062 0.000 1.052 146 S CB 0.410 63.663 63.200 0.087 0.000 0.799 146 S HN 0.834 nan 8.310 nan 0.000 0.501 147 T N -0.382 114.189 114.554 0.027 0.000 2.978 147 T HA 0.179 4.529 4.350 0.000 0.000 0.262 147 T C 0.367 175.083 174.700 0.025 0.000 1.063 147 T CA 0.537 62.648 62.100 0.018 0.000 1.140 147 T CB 0.020 68.899 68.868 0.019 0.000 0.886 147 T HN 0.343 nan 8.240 nan 0.000 0.470 148 K N 0.165 120.588 120.400 0.038 0.000 2.464 148 K HA 0.727 5.047 4.320 0.000 0.000 0.253 148 K C -1.328 175.298 176.600 0.043 0.000 0.933 148 K CA -0.384 55.927 56.287 0.041 0.000 0.801 148 K CB 2.616 35.150 32.500 0.056 0.000 1.271 148 K HN 0.062 nan 8.250 nan 0.000 0.430 149 T N 0.817 115.389 114.554 0.030 0.000 2.916 149 T HA 0.648 4.999 4.350 0.000 0.000 0.305 149 T C -1.880 172.858 174.700 0.065 0.000 1.119 149 T CA -0.619 61.494 62.100 0.021 0.000 1.008 149 T CB 1.567 70.368 68.868 -0.112 0.000 1.129 149 T HN 0.287 nan 8.240 nan 0.000 0.480 150 V N 5.289 125.282 119.914 0.131 0.000 2.777 150 V HA 0.714 4.834 4.120 0.000 0.000 0.306 150 V C -2.709 173.528 176.094 0.239 0.000 1.112 150 V CA -2.303 60.103 62.300 0.176 0.000 0.917 150 V CB 2.592 34.539 31.823 0.207 0.000 1.018 150 V HN 0.683 nan 8.190 nan 0.000 0.426 151 P HA 0.433 nan 4.420 nan 0.000 0.278 151 P C -1.368 176.005 177.300 0.122 0.000 1.238 151 P CA -0.024 63.161 63.100 0.142 0.000 0.794 151 P CB 1.066 32.821 31.700 0.092 0.000 0.955 152 F N -1.666 118.198 119.950 -0.144 0.000 2.631 152 F HA 0.596 5.123 4.527 0.000 0.000 0.308 152 F C -1.206 174.460 175.800 -0.223 0.000 1.097 152 F CA -0.955 56.692 58.000 -0.588 0.000 0.952 152 F CB 0.925 39.337 39.000 -0.979 0.000 1.307 152 F HN 0.029 nan 8.300 nan 0.000 0.450 153 T N 4.403 118.998 114.554 0.067 0.000 2.749 153 T HA 0.459 4.809 4.350 0.000 0.000 0.287 153 T C -0.594 174.136 174.700 0.051 0.000 0.970 153 T CA -0.344 61.778 62.100 0.037 0.000 0.980 153 T CB 0.927 69.851 68.868 0.093 0.000 0.924 153 T HN 0.751 nan 8.240 nan 0.000 0.456 154 L N 3.549 124.766 121.223 -0.010 0.000 2.416 154 L HA 0.316 4.656 4.340 0.000 0.000 0.272 154 L C 0.187 176.852 176.870 -0.341 0.000 1.161 154 L CA -0.097 54.714 54.840 -0.048 0.000 0.845 154 L CB 0.542 42.697 42.059 0.159 0.000 1.119 154 L HN 0.492 nan 8.230 nan 0.000 0.464 155 D N 3.752 123.751 120.400 -0.668 0.000 2.479 155 D HA 0.066 4.706 4.640 0.000 0.000 0.218 155 D C -0.200 176.042 176.300 -0.096 0.000 1.131 155 D CA -0.225 53.551 54.000 -0.373 0.000 0.916 155 D CB -0.183 40.398 40.800 -0.366 0.000 1.022 155 D HN 0.463 nan 8.370 nan 0.000 0.515 156 N N 2.836 121.502 118.700 -0.057 0.000 2.315 156 N HA -0.002 4.738 4.740 0.000 0.000 0.270 156 N C 1.413 176.924 175.510 0.002 0.000 1.329 156 N CA 1.604 54.649 53.050 -0.009 0.000 0.860 156 N CB 0.334 38.806 38.487 -0.026 0.000 1.095 156 N HN 0.743 nan 8.380 nan 0.000 0.487 157 G N 1.837 110.655 108.800 0.029 0.000 2.245 157 G HA2 -0.250 3.710 3.960 0.000 0.000 0.264 157 G HA3 -0.250 3.710 3.960 0.000 0.000 0.264 157 G C 0.642 175.567 174.900 0.041 0.000 0.985 157 G CA 0.621 45.736 45.100 0.025 0.000 0.625 157 G HN 0.900 nan 8.290 nan 0.000 0.536 158 G N -0.664 108.167 108.800 0.052 0.000 2.611 158 G HA2 0.546 4.506 3.960 0.000 0.000 0.273 158 G HA3 0.546 4.506 3.960 0.000 0.000 0.273 158 G C 0.134 175.083 174.900 0.081 0.000 1.305 158 G CA -0.387 44.751 45.100 0.064 0.000 1.010 158 G HN 0.630 nan 8.290 nan 0.000 0.509 159 I N 0.407 121.010 120.570 0.054 0.000 2.437 159 I HA 0.513 4.683 4.170 0.000 0.000 0.298 159 I C 0.441 176.477 176.117 -0.135 0.000 0.984 159 I CA -0.579 60.697 61.300 -0.041 0.000 1.214 159 I CB 1.869 39.841 38.000 -0.047 0.000 1.365 159 I HN 0.503 nan 8.210 nan 0.000 0.469 160 A N 5.936 128.464 122.820 -0.486 0.000 2.355 160 A HA 0.656 4.976 4.320 0.000 0.000 0.317 160 A C -0.980 176.109 177.584 -0.826 0.000 1.094 160 A CA -0.760 50.711 52.037 -0.943 0.000 0.764 160 A CB 0.922 18.842 19.000 -1.801 0.000 1.230 160 A HN 0.689 nan 8.150 nan 0.000 0.448 161 N N 0.941 119.238 118.700 -0.671 0.000 2.392 161 N HA 0.542 5.282 4.740 0.000 0.000 0.283 161 N C -1.205 173.981 175.510 -0.540 0.000 1.003 161 N CA -0.214 52.544 53.050 -0.486 0.000 0.892 161 N CB 2.032 40.340 38.487 -0.299 0.000 1.193 161 N HN 0.316 nan 8.380 nan 0.000 0.487 162 V N 1.829 121.377 119.914 -0.610 0.000 2.604 162 V HA 0.488 4.608 4.120 0.000 0.000 0.305 162 V C -0.238 175.592 176.094 -0.440 0.000 1.043 162 V CA -0.770 61.171 62.300 -0.599 0.000 0.888 162 V CB 2.291 33.514 31.823 -1.001 0.000 0.995 162 V HN 0.301 nan 8.190 nan 0.000 0.429 163 V N 6.038 125.805 119.914 -0.245 0.000 2.443 163 V HA 0.528 4.648 4.120 0.000 0.000 0.293 163 V C -0.435 175.592 176.094 -0.113 0.000 1.021 163 V CA -0.300 61.905 62.300 -0.160 0.000 0.848 163 V CB 1.648 33.384 31.823 -0.145 0.000 0.998 163 V HN 0.678 nan 8.190 nan 0.000 0.424 164 I N 4.760 125.297 120.570 -0.056 0.000 2.406 164 I HA 0.552 4.722 4.170 0.000 0.000 0.290 164 I C -0.239 175.860 176.117 -0.030 0.000 0.999 164 I CA -0.524 60.778 61.300 0.002 0.000 1.124 164 I CB 1.850 39.916 38.000 0.110 0.000 1.289 164 I HN 0.496 nan 8.210 nan 0.000 0.441 165 K N 5.584 125.885 120.400 -0.166 0.000 2.427 165 K HA 0.443 4.763 4.320 0.000 0.000 0.252 165 K C -1.913 174.599 176.600 -0.147 0.000 0.931 165 K CA -0.704 55.446 56.287 -0.229 0.000 0.793 165 K CB 2.203 34.458 32.500 -0.408 0.000 1.211 165 K HN 0.451 nan 8.250 nan 0.000 0.426 166 Y N 2.551 122.535 120.300 -0.527 0.000 2.338 166 Y HA 0.300 4.850 4.550 0.000 0.000 0.333 166 Y C -1.417 174.286 175.900 -0.328 0.000 0.968 166 Y CA -1.086 56.695 58.100 -0.531 0.000 1.123 166 Y CB 1.471 39.221 38.460 -1.183 0.000 1.165 166 Y HN 0.618 nan 8.280 nan 0.000 0.452 167 D N 4.475 124.389 120.400 -0.811 0.000 2.392 167 D HA 0.457 5.097 4.640 0.000 0.000 0.228 167 D C 0.587 176.421 176.300 -0.778 0.000 1.074 167 D CA 0.204 53.860 54.000 -0.575 0.000 0.838 167 D CB 1.669 42.282 40.800 -0.312 0.000 1.067 167 D HN 0.702 nan 8.370 nan 0.000 0.511 168 A N 2.950 125.471 122.820 -0.499 0.000 1.972 168 A HA -0.145 4.175 4.320 0.000 0.000 0.219 168 A C 2.125 179.615 177.584 -0.156 0.000 1.169 168 A CA 1.826 53.713 52.037 -0.250 0.000 0.635 168 A CB -0.641 18.373 19.000 0.024 0.000 0.810 168 A HN 0.620 nan 8.150 nan 0.000 0.446 169 S N -0.264 115.349 115.700 -0.145 0.000 2.382 169 S HA -0.157 4.313 4.470 0.000 0.000 0.228 169 S C 1.787 176.324 174.600 -0.106 0.000 1.027 169 S CA 1.988 60.132 58.200 -0.095 0.000 0.991 169 S CB -1.057 62.095 63.200 -0.080 0.000 0.823 169 S HN 0.810 nan 8.310 nan 0.000 0.469 170 T N -2.028 112.430 114.554 -0.161 0.000 3.022 170 T HA 0.360 4.710 4.350 0.000 0.000 0.250 170 T C 0.533 175.150 174.700 -0.138 0.000 1.060 170 T CA 0.073 62.090 62.100 -0.138 0.000 1.013 170 T CB -0.487 68.291 68.868 -0.151 0.000 0.982 170 T HN 0.461 nan 8.240 nan 0.000 0.508 171 K N 0.619 120.888 120.400 -0.218 0.000 3.281 171 K HA -0.122 4.198 4.320 0.000 0.000 0.295 171 K C -0.540 176.036 176.600 -0.041 0.000 1.233 171 K CA 0.475 56.696 56.287 -0.109 0.000 0.866 171 K CB -2.106 30.428 32.500 0.056 0.000 1.265 171 K HN 0.556 nan 8.250 nan 0.000 0.482 172 I N 1.639 122.086 120.570 -0.205 0.000 2.342 172 I HA 0.142 4.312 4.170 0.000 0.000 0.291 172 I C 0.114 176.259 176.117 0.046 0.000 1.010 172 I CA -0.864 60.388 61.300 -0.079 0.000 1.308 172 I CB 0.766 38.653 38.000 -0.187 0.000 1.400 172 I HN -0.001 nan 8.210 nan 0.000 0.488 173 L N 8.732 130.102 121.223 0.246 0.000 2.277 173 L HA 0.397 4.737 4.340 0.000 0.000 0.284 173 L C -0.522 176.532 176.870 0.306 0.000 1.028 173 L CA 0.039 55.095 54.840 0.360 0.000 0.835 173 L CB 0.222 42.492 42.059 0.351 0.000 1.215 173 L HN 0.607 nan 8.230 nan 0.000 0.425 174 H N 3.193 122.304 119.070 0.068 0.000 2.489 174 H HA 0.750 5.306 4.556 0.000 0.000 0.343 174 H C -0.914 174.454 175.328 0.068 0.000 1.086 174 H CA -1.295 54.787 56.048 0.057 0.000 1.198 174 H CB 1.762 31.536 29.762 0.021 0.000 1.490 174 H HN 0.459 nan 8.280 nan 0.000 0.504 175 V N 3.046 123.032 119.914 0.121 0.000 2.715 175 V HA 0.707 4.827 4.120 0.000 0.000 0.310 175 V C -1.194 174.937 176.094 0.061 0.000 1.054 175 V CA -0.639 61.699 62.300 0.063 0.000 0.928 175 V CB 1.743 33.639 31.823 0.123 0.000 1.007 175 V HN 0.694 nan 8.190 nan 0.000 0.437 176 V N 6.083 126.007 119.914 0.015 0.000 2.638 176 V HA 0.582 4.702 4.120 0.000 0.000 0.306 176 V C -0.754 175.325 176.094 -0.025 0.000 1.052 176 V CA -0.520 61.786 62.300 0.010 0.000 0.885 176 V CB 1.499 33.297 31.823 -0.042 0.000 0.999 176 V HN 0.970 nan 8.190 nan 0.000 0.424 177 L N 6.189 127.416 121.223 0.007 0.000 2.356 177 L HA 0.875 5.215 4.340 0.000 0.000 0.277 177 L C -0.908 175.860 176.870 -0.170 0.000 0.996 177 L CA -0.102 54.658 54.840 -0.132 0.000 0.822 177 L CB 1.867 43.874 42.059 -0.087 0.000 1.256 177 L HN 0.450 nan 8.230 nan 0.000 0.413 178 V N 5.430 125.114 119.914 -0.383 0.000 2.638 178 V HA 0.457 4.577 4.120 0.000 0.000 0.306 178 V C -0.978 174.848 176.094 -0.447 0.000 1.052 178 V CA -0.327 61.802 62.300 -0.284 0.000 0.885 178 V CB 1.785 33.502 31.823 -0.177 0.000 0.999 178 V HN 0.534 nan 8.190 nan 0.000 0.424 179 F N 6.292 126.213 119.950 -0.047 0.000 2.291 179 F HA 0.400 4.927 4.527 0.000 0.000 0.368 179 F C -1.064 174.708 175.800 -0.047 0.000 1.085 179 F CA -2.185 55.780 58.000 -0.058 0.000 1.165 179 F CB 1.415 40.427 39.000 0.020 0.000 1.429 179 F HN 0.372 nan 8.300 nan 0.000 0.503 180 P HA -0.223 nan 4.420 nan 0.000 0.217 180 P C 1.383 178.711 177.300 0.046 0.000 1.151 180 P CA 1.473 64.587 63.100 0.024 0.000 0.849 180 P CB 0.311 32.001 31.700 -0.017 0.000 0.787 181 S N -0.569 115.171 115.700 0.067 0.000 2.447 181 S HA 0.014 4.484 4.470 0.000 0.000 0.233 181 S C 1.849 176.478 174.600 0.047 0.000 1.006 181 S CA 0.838 59.067 58.200 0.048 0.000 0.957 181 S CB -0.523 62.703 63.200 0.043 0.000 0.773 181 S HN 0.201 nan 8.310 nan 0.000 0.507 182 L N -0.388 120.881 121.223 0.077 0.000 2.638 182 L HA 0.328 4.668 4.340 0.000 0.000 0.232 182 L C 1.636 178.540 176.870 0.056 0.000 1.099 182 L CA 0.328 55.204 54.840 0.059 0.000 0.883 182 L CB -0.377 41.717 42.059 0.058 0.000 1.136 182 L HN 0.401 nan 8.230 nan 0.000 0.492 183 G N 1.622 110.459 108.800 0.063 0.000 2.168 183 G HA2 -0.294 3.666 3.960 0.000 0.000 0.257 183 G HA3 -0.294 3.666 3.960 0.000 0.000 0.257 183 G C 0.388 175.297 174.900 0.014 0.000 0.997 183 G CA 0.592 45.709 45.100 0.029 0.000 0.708 183 G HN 0.416 nan 8.290 nan 0.000 0.520 184 T N -0.941 113.647 114.554 0.057 0.000 2.889 184 T HA 0.714 5.064 4.350 0.000 0.000 0.291 184 T C 0.196 174.828 174.700 -0.113 0.000 0.995 184 T CA -0.586 61.495 62.100 -0.031 0.000 1.092 184 T CB 2.321 71.234 68.868 0.076 0.000 0.954 184 T HN 0.527 nan 8.240 nan 0.000 0.506 185 I N 2.226 122.596 120.570 -0.334 0.000 2.498 185 I HA 0.419 4.589 4.170 0.000 0.000 0.290 185 I C -1.281 174.564 176.117 -0.453 0.000 1.032 185 I CA -1.166 59.974 61.300 -0.266 0.000 1.073 185 I CB 1.714 39.633 38.000 -0.135 0.000 1.251 185 I HN 0.633 nan 8.210 nan 0.000 0.426 186 Y N 3.006 123.348 120.300 0.070 0.000 2.425 186 Y HA 0.605 5.155 4.550 0.000 0.000 0.344 186 Y C 0.273 176.218 175.900 0.076 0.000 0.969 186 Y CA -0.762 57.403 58.100 0.107 0.000 1.052 186 Y CB 2.380 40.938 38.460 0.164 0.000 1.215 186 Y HN 0.428 nan 8.280 nan 0.000 0.451 187 T N 4.451 119.145 114.554 0.232 0.000 2.909 187 T HA 0.792 5.142 4.350 0.000 0.000 0.299 187 T C -1.633 173.167 174.700 0.166 0.000 1.073 187 T CA -0.526 61.672 62.100 0.163 0.000 0.999 187 T CB 0.936 69.871 68.868 0.112 0.000 1.098 187 T HN 0.680 nan 8.240 nan 0.000 0.477 188 I N 2.624 123.284 120.570 0.151 0.000 2.841 188 I HA 0.763 4.933 4.170 0.000 0.000 0.298 188 I C -1.640 174.562 176.117 0.142 0.000 1.304 188 I CA -0.592 60.791 61.300 0.137 0.000 1.019 188 I CB 1.841 39.923 38.000 0.136 0.000 1.282 188 I HN 0.950 nan 8.210 nan 0.000 0.432 189 A N 4.332 127.224 122.820 0.120 0.000 2.606 189 A HA 0.825 5.145 4.320 0.000 0.000 0.293 189 A C -1.921 175.717 177.584 0.091 0.000 1.082 189 A CA -0.368 51.744 52.037 0.124 0.000 0.685 189 A CB 2.008 21.064 19.000 0.094 0.000 1.284 189 A HN 0.692 nan 8.150 nan 0.000 0.408 190 D N -0.592 119.866 120.400 0.097 0.000 2.671 190 D HA 0.488 5.129 4.640 0.000 0.000 0.273 190 D C -1.436 174.918 176.300 0.089 0.000 1.264 190 D CA -0.312 53.735 54.000 0.078 0.000 0.788 190 D CB 1.203 42.053 40.800 0.083 0.000 1.324 190 D HN 0.477 nan 8.370 nan 0.000 0.424 191 I N 1.513 122.125 120.570 0.070 0.000 2.315 191 I HA 0.463 4.633 4.170 0.000 0.000 0.291 191 I C -0.511 175.666 176.117 0.100 0.000 1.006 191 I CA -0.778 60.571 61.300 0.081 0.000 1.265 191 I CB 1.378 39.402 38.000 0.041 0.000 1.387 191 I HN 0.073 nan 8.210 nan 0.000 0.475 192 V N 4.833 124.846 119.914 0.165 0.000 2.638 192 V HA 0.257 4.377 4.120 0.000 0.000 0.306 192 V C -0.464 175.713 176.094 0.139 0.000 1.052 192 V CA -0.700 61.672 62.300 0.120 0.000 0.885 192 V CB 2.256 34.133 31.823 0.091 0.000 0.999 192 V HN 0.651 nan 8.190 nan 0.000 0.424 193 D N 4.105 124.536 120.400 0.052 0.000 2.479 193 D HA 0.317 4.957 4.640 0.000 0.000 0.218 193 D C 1.069 177.337 176.300 -0.053 0.000 1.131 193 D CA -0.201 53.813 54.000 0.023 0.000 0.916 193 D CB 1.253 42.039 40.800 -0.023 0.000 1.022 193 D HN 0.492 nan 8.370 nan 0.000 0.515 194 L N 3.027 124.210 121.223 -0.065 0.000 2.043 194 L HA -0.184 4.156 4.340 0.000 0.000 0.212 194 L C 2.503 179.237 176.870 -0.226 0.000 1.075 194 L CA 1.072 55.850 54.840 -0.102 0.000 0.752 194 L CB -0.295 41.724 42.059 -0.065 0.000 0.891 194 L HN 0.341 nan 8.230 nan 0.000 0.432 195 K N -0.136 119.996 120.400 -0.447 0.000 2.209 195 K HA -0.242 4.078 4.320 0.000 0.000 0.204 195 K C 2.097 178.302 176.600 -0.658 0.000 1.048 195 K CA 1.308 56.964 56.287 -1.052 0.000 0.940 195 K CB 0.135 32.083 32.500 -0.920 0.000 0.729 195 K HN 0.146 nan 8.250 nan 0.000 0.451 196 Q N -0.525 119.087 119.800 -0.313 0.000 2.398 196 Q HA -0.018 4.322 4.340 0.000 0.000 0.204 196 Q C 1.574 177.526 176.000 -0.080 0.000 0.932 196 Q CA 0.721 56.423 55.803 -0.169 0.000 0.916 196 Q CB 0.858 29.529 28.738 -0.112 0.000 1.024 196 Q HN 0.340 nan 8.270 nan 0.000 0.504 197 V N -4.040 115.839 119.914 -0.058 0.000 3.484 197 V HA 0.389 4.509 4.120 0.000 0.000 0.252 197 V C 0.495 176.631 176.094 0.069 0.000 1.282 197 V CA -0.021 62.277 62.300 -0.002 0.000 1.104 197 V CB 0.193 32.003 31.823 -0.022 0.000 0.868 197 V HN -0.000 nan 8.190 nan 0.000 0.457 198 L N 1.998 123.292 121.223 0.119 0.000 2.322 198 L HA 0.637 4.977 4.340 0.000 0.000 0.269 198 L C -2.397 174.731 176.870 0.431 0.000 1.012 198 L CA -2.120 52.857 54.840 0.227 0.000 0.815 198 L CB 2.217 44.406 42.059 0.216 0.000 1.295 198 L HN 0.023 nan 8.230 nan 0.000 0.438 199 P HA 0.140 nan 4.420 nan 0.000 0.277 199 P C -0.139 177.252 177.300 0.152 0.000 1.271 199 P CA -0.370 62.893 63.100 0.272 0.000 0.795 199 P CB 0.970 32.734 31.700 0.108 0.000 1.101 200 E N -0.480 119.514 120.200 -0.344 0.000 2.085 200 E HA -0.073 4.278 4.350 0.000 0.000 0.194 200 E C 0.303 176.766 176.600 -0.230 0.000 0.994 200 E CA 1.261 57.241 56.400 -0.700 0.000 0.801 200 E CB -0.105 29.127 29.700 -0.781 0.000 0.743 200 E HN 0.334 nan 8.360 nan 0.000 0.453 201 S N 0.035 115.664 115.700 -0.117 0.000 2.472 201 S HA 0.427 4.897 4.470 0.000 0.000 0.303 201 S C -0.369 174.229 174.600 -0.003 0.000 1.099 201 S CA -0.809 57.367 58.200 -0.040 0.000 1.077 201 S CB 1.760 64.932 63.200 -0.047 0.000 1.031 201 S HN 0.166 nan 8.310 nan 0.000 0.487 202 V N 1.523 121.444 119.914 0.011 0.000 3.156 202 V HA 0.696 4.816 4.120 0.000 0.000 0.310 202 V C -0.978 175.090 176.094 -0.045 0.000 1.234 202 V CA -1.164 61.132 62.300 -0.005 0.000 1.065 202 V CB 1.736 33.568 31.823 0.016 0.000 1.088 202 V HN 0.790 nan 8.190 nan 0.000 0.451 203 N N -0.562 118.079 118.700 -0.099 0.000 2.319 203 N HA 0.789 5.529 4.740 0.000 0.000 0.305 203 N C -1.127 174.192 175.510 -0.319 0.000 1.103 203 N CA -0.705 52.253 53.050 -0.154 0.000 0.815 203 N CB 2.444 40.838 38.487 -0.155 0.000 1.288 203 N HN 0.919 nan 8.380 nan 0.000 0.493 204 V N -1.344 118.372 119.914 -0.329 0.000 2.769 204 V HA 1.054 5.174 4.120 0.000 0.000 0.312 204 V C 0.311 176.108 176.094 -0.496 0.000 1.061 204 V CA -0.406 61.576 62.300 -0.530 0.000 0.931 204 V CB 1.071 32.658 31.823 -0.393 0.000 1.010 204 V HN 0.842 nan 8.190 nan 0.000 0.433 205 G N 1.774 109.955 108.800 -1.031 0.000 2.341 205 G HA2 0.577 4.537 3.960 0.000 0.000 0.299 205 G HA3 0.577 4.537 3.960 0.000 0.000 0.299 205 G C -1.976 172.195 174.900 -1.215 0.000 1.274 205 G CA -0.698 43.839 45.100 -0.939 0.000 0.853 205 G HN 0.741 nan 8.290 nan 0.000 0.493 206 F N -0.078 119.629 119.950 -0.405 0.000 2.579 206 F HA 0.868 5.395 4.527 0.000 0.000 0.324 206 F C 0.542 176.352 175.800 0.017 0.000 1.058 206 F CA -0.772 57.096 58.000 -0.220 0.000 0.944 206 F CB 2.653 41.422 39.000 -0.385 0.000 1.245 206 F HN 0.557 nan 8.300 nan 0.000 0.477 207 S N 0.702 116.516 115.700 0.189 0.000 2.533 207 S HA 0.888 5.358 4.470 0.000 0.000 0.271 207 S C -1.464 173.118 174.600 -0.030 0.000 1.143 207 S CA -0.243 57.989 58.200 0.053 0.000 0.891 207 S CB 1.295 64.448 63.200 -0.078 0.000 1.105 207 S HN 1.120 nan 8.310 nan 0.000 0.468 208 A N 2.114 124.894 122.820 -0.067 0.000 2.593 208 A HA 1.055 5.375 4.320 0.000 0.000 0.290 208 A C -0.933 176.569 177.584 -0.136 0.000 1.126 208 A CA -0.247 51.676 52.037 -0.191 0.000 0.695 208 A CB 1.228 19.992 19.000 -0.392 0.000 1.290 208 A HN 1.934 nan 8.150 nan 0.000 0.414 209 A N -0.319 122.378 122.820 -0.206 0.000 2.604 209 A HA 0.848 5.168 4.320 0.000 0.000 0.295 209 A C -0.256 177.338 177.584 0.017 0.000 1.067 209 A CA 0.221 52.224 52.037 -0.057 0.000 0.683 209 A CB 0.803 19.793 19.000 -0.017 0.000 1.281 209 A HN 2.128 nan 8.150 nan 0.000 0.407 210 T N -0.917 113.687 114.554 0.083 0.000 2.919 210 T HA 0.725 5.075 4.350 0.000 0.000 0.282 210 T C 0.831 175.557 174.700 0.043 0.000 1.020 210 T CA -0.100 62.092 62.100 0.153 0.000 0.994 210 T CB 0.971 69.972 68.868 0.221 0.000 1.180 210 T HN 2.013 nan 8.240 nan 0.000 0.566 211 G N 0.429 109.273 108.800 0.074 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 -0.286 174.554 174.900 -0.101 0.000 1.200 211 G CA -0.056 45.039 45.100 -0.008 0.000 0.888 211 G HN 0.947 nan 8.290 nan 0.000 0.482 212 D N 2.321 122.600 120.400 -0.201 0.000 2.302 212 D HA 0.309 4.949 4.640 0.000 0.000 0.248 212 D C -1.015 175.076 176.300 -0.348 0.000 1.094 212 D CA -1.596 52.244 54.000 -0.267 0.000 0.897 212 D CB 1.445 42.126 40.800 -0.197 0.000 1.200 212 D HN 0.065 nan 8.370 nan 0.000 0.429 213 P HA -0.189 nan 4.420 nan 0.000 0.216 213 P C 1.150 178.323 177.300 -0.212 0.000 1.150 213 P CA 1.301 63.996 63.100 -0.674 0.000 0.843 213 P CB 0.008 31.341 31.700 -0.613 0.000 0.787 214 S N -1.236 114.376 115.700 -0.147 0.000 2.440 214 S HA -0.117 4.353 4.470 0.000 0.000 0.238 214 S C 2.180 176.778 174.600 -0.003 0.000 1.010 214 S CA 1.393 59.561 58.200 -0.053 0.000 0.972 214 S CB -1.804 61.369 63.200 -0.046 0.000 0.774 214 S HN 0.238 nan 8.310 nan 0.000 0.501 215 G N 1.018 109.816 108.800 -0.004 0.000 2.572 215 G HA2 0.068 4.028 3.960 0.000 0.000 0.216 215 G HA3 0.068 4.028 3.960 0.000 0.000 0.216 215 G C 0.438 175.427 174.900 0.149 0.000 1.133 215 G CA -0.000 45.134 45.100 0.057 0.000 0.791 215 G HN 0.567 nan 8.290 nan 0.000 0.538 216 K N -0.619 119.906 120.400 0.209 0.000 3.150 216 K HA -0.140 4.180 4.320 0.000 0.000 0.267 216 K C -0.704 176.033 176.600 0.227 0.000 1.028 216 K CA 0.664 57.106 56.287 0.260 0.000 0.753 216 K CB -0.930 31.652 32.500 0.138 0.000 1.288 216 K HN 0.336 nan 8.250 nan 0.000 0.473 217 Q N -0.046 119.958 119.800 0.339 0.000 2.483 217 Q HA 0.186 4.526 4.340 0.000 0.000 0.245 217 Q C 0.166 176.189 176.000 0.039 0.000 0.902 217 Q CA -0.350 55.521 55.803 0.113 0.000 0.767 217 Q CB 1.418 30.237 28.738 0.135 0.000 1.341 217 Q HN 0.181 nan 8.270 nan 0.000 0.453 218 R N 0.575 120.778 120.500 -0.496 0.000 2.237 218 R HA -0.024 4.316 4.340 0.000 0.000 0.219 218 R C 1.030 177.119 176.300 -0.353 0.000 1.080 218 R CA 0.807 56.379 56.100 -0.880 0.000 0.995 218 R CB 0.304 29.926 30.300 -1.130 0.000 0.875 218 R HN 0.340 nan 8.270 nan 0.000 0.462 219 N N 0.776 119.331 118.700 -0.241 0.000 2.457 219 N HA -0.011 4.729 4.740 0.000 0.000 0.180 219 N C 0.047 175.642 175.510 0.143 0.000 1.050 219 N CA 0.600 53.567 53.050 -0.138 0.000 0.906 219 N CB 0.198 38.584 38.487 -0.168 0.000 0.968 219 N HN 0.121 nan 8.380 nan 0.000 0.445 220 A N 0.403 123.333 122.820 0.182 0.000 3.026 220 A HA 0.335 4.655 4.320 0.000 0.000 0.272 220 A C 0.486 178.230 177.584 0.267 0.000 1.782 220 A CA 0.176 52.387 52.037 0.289 0.000 1.451 220 A CB -0.572 18.605 19.000 0.295 0.000 1.081 220 A HN 0.097 nan 8.150 nan 0.000 0.611 221 T N 0.217 114.938 114.554 0.279 0.000 2.762 221 T HA 0.661 5.011 4.350 0.000 0.000 0.301 221 T C -1.444 173.366 174.700 0.183 0.000 1.299 221 T CA 0.058 62.312 62.100 0.256 0.000 1.005 221 T CB 1.338 70.378 68.868 0.287 0.000 1.377 221 T HN 0.904 nan 8.240 nan 0.000 0.504 222 E N -0.555 119.701 120.200 0.093 0.000 2.421 222 E HA 0.439 4.789 4.350 0.000 0.000 0.278 222 E C -1.330 175.139 176.600 -0.218 0.000 1.141 222 E CA -1.128 55.229 56.400 -0.073 0.000 0.880 222 E CB 0.314 29.953 29.700 -0.102 0.000 1.381 222 E HN 0.722 nan 8.360 nan 0.000 0.436 223 T N -1.452 112.938 114.554 -0.272 0.000 2.902 223 T HA 0.544 4.894 4.350 0.000 0.000 0.280 223 T C -0.450 173.927 174.700 -0.538 0.000 0.992 223 T CA -0.529 61.421 62.100 -0.250 0.000 1.015 223 T CB 0.663 69.471 68.868 -0.100 0.000 1.044 223 T HN 0.576 nan 8.240 nan 0.000 0.520 224 H N 0.001 119.083 119.070 0.020 0.000 2.538 224 H HA 0.347 4.903 4.556 0.000 0.000 0.239 224 H C -1.168 174.133 175.328 -0.046 0.000 1.401 224 H CA -0.794 55.243 56.048 -0.018 0.000 1.499 224 H CB 0.304 30.047 29.762 -0.032 0.000 1.624 224 H HN 0.559 nan 8.280 nan 0.000 0.524 225 D N 2.360 122.793 120.400 0.054 0.000 2.177 225 D HA 0.217 4.857 4.640 0.000 0.000 0.247 225 D C 0.196 176.511 176.300 0.025 0.000 1.063 225 D CA -0.438 53.576 54.000 0.024 0.000 0.867 225 D CB 2.146 42.973 40.800 0.045 0.000 1.168 225 D HN 0.308 nan 8.370 nan 0.000 0.445 226 I N 3.265 123.786 120.570 -0.083 0.000 2.328 226 I HA 0.046 4.216 4.170 0.000 0.000 0.287 226 I C 1.234 177.439 176.117 0.147 0.000 1.012 226 I CA -0.459 60.781 61.300 -0.100 0.000 1.195 226 I CB 1.555 39.240 38.000 -0.524 0.000 1.350 226 I HN 0.231 nan 8.210 nan 0.000 0.464 227 L N 4.107 125.449 121.223 0.198 0.000 2.127 227 L HA 0.056 4.396 4.340 0.000 0.000 0.203 227 L C 1.039 178.056 176.870 0.244 0.000 1.080 227 L CA 1.156 56.124 54.840 0.213 0.000 0.768 227 L CB -0.689 41.443 42.059 0.121 0.000 0.924 227 L HN 0.753 nan 8.230 nan 0.000 0.444 228 S N -3.105 112.763 115.700 0.280 0.000 2.596 228 S HA 0.519 4.989 4.470 0.000 0.000 0.270 228 S C -1.958 172.952 174.600 0.516 0.000 1.155 228 S CA -0.729 57.609 58.200 0.231 0.000 0.827 228 S CB 2.568 65.845 63.200 0.129 0.000 1.130 228 S HN 0.145 nan 8.310 nan 0.000 0.467 229 W N 2.010 123.492 121.300 0.303 0.000 3.827 229 W HA 0.639 5.299 4.660 0.000 0.000 0.307 229 W C -1.558 175.239 176.519 0.463 0.000 1.204 229 W CA -0.262 57.385 57.345 0.503 0.000 1.250 229 W CB 1.353 31.245 29.460 0.720 0.000 1.281 229 W HN 1.250 nan 8.180 nan 0.000 0.494 230 S N 5.067 120.998 115.700 0.384 0.000 2.526 230 S HA 0.872 5.342 4.470 0.000 0.000 0.293 230 S C -1.555 172.947 174.600 -0.163 0.000 1.092 230 S CA -0.561 57.619 58.200 -0.033 0.000 0.980 230 S CB 2.493 65.691 63.200 -0.004 0.000 1.048 230 S HN 0.606 nan 8.310 nan 0.000 0.483 231 F N 1.236 120.680 119.950 -0.843 0.000 2.599 231 F HA 0.799 5.326 4.527 0.000 0.000 0.311 231 F C -0.663 174.723 175.800 -0.689 0.000 1.076 231 F CA -0.145 57.359 58.000 -0.827 0.000 0.937 231 F CB 2.230 40.340 39.000 -1.484 0.000 1.282 231 F HN 0.877 nan 8.300 nan 0.000 0.460 232 S N 3.224 118.188 115.700 -1.226 0.000 2.584 232 S HA 0.821 5.291 4.470 0.000 0.000 0.280 232 S C -1.913 172.228 174.600 -0.766 0.000 1.162 232 S CA -0.033 57.707 58.200 -0.767 0.000 0.951 232 S CB 0.830 63.791 63.200 -0.398 0.000 1.108 232 S HN 1.380 nan 8.310 nan 0.000 0.464 233 A N 2.947 125.515 122.820 -0.420 0.000 2.422 233 A HA 0.838 5.158 4.320 0.000 0.000 0.302 233 A C -0.650 176.934 177.584 0.001 0.000 1.041 233 A CA -0.644 51.321 52.037 -0.119 0.000 0.708 233 A CB 1.986 21.015 19.000 0.048 0.000 1.257 233 A HN 0.759 nan 8.150 nan 0.000 0.414 234 S N 1.845 117.576 115.700 0.052 0.000 2.594 234 S HA 0.447 4.917 4.470 0.000 0.000 0.322 234 S C -0.789 173.867 174.600 0.093 0.000 1.085 234 S CA -0.290 57.941 58.200 0.051 0.000 1.116 234 S CB 0.607 63.819 63.200 0.021 0.000 0.979 234 S HN 0.621 nan 8.310 nan 0.000 0.465 235 L N 6.337 127.619 121.223 0.099 0.000 2.283 235 L HA 0.418 4.758 4.340 0.000 0.000 0.281 235 L C -2.182 174.739 176.870 0.086 0.000 1.033 235 L CA -2.299 52.611 54.840 0.118 0.000 0.848 235 L CB 1.324 43.462 42.059 0.131 0.000 1.226 235 L HN 0.332 nan 8.230 nan 0.000 0.429 236 P HA 0.218 nan 4.420 nan 0.000 0.266 236 P C 0.086 177.423 177.300 0.061 0.000 1.419 236 P CA 0.567 63.702 63.100 0.058 0.000 1.112 236 P CB 0.251 31.981 31.700 0.050 0.000 1.438 237 G N 0.000 108.832 108.800 0.053 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 45.129 45.100 0.048 0.000 0.502 237 G HN 0.000 nan 8.290 nan 0.000 0.925