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 2aat_1_A DATA FIRST_RESID 13 DATA SEQUENCE MFENITAAPA DPILGLADLF RADERPGKIN LGIGVYKDET GKTPVLTSVK DATA SEQUENCE KAEQYLLENE TTKNYLGIDG IPEFGRCTQE LLFGKGSALI NDKRARTAQT DATA SEQUENCE PGGTGALRVA ADFLAKNTSV KRVWVSNPSW PNHKSVFNSA GLEVREYAYY DATA SEQUENCE DAENHTLDFD ALINSLNEAQ AGDVVLFHGC CHNPTGIDPT LEQWQTLAQL DATA SEQUENCE SVEKGWLPLF DFAYQGFARG LEEDAEGLRA FAAMHKELIV ASSYSANFGL DATA SEQUENCE YNERVGACTL VAADSETVDR AFSQMKAAIR ANYSNPPAHG ASVVATILSN DATA SEQUENCE DALRAIWEQE LTDMRQRIQR MRQLFVNTLQ EKGANRDFSF IIKQNGMFSF DATA SEQUENCE SGLTKEQVLR LREEFGVYAV ASGRVNVAGM TPDNMAPLCE AIVAVL 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 13 M HA 0.000 nan 4.480 nan 0.000 0.227 13 M C 0.000 176.378 176.300 0.129 0.000 1.140 13 M CA 0.000 55.322 55.300 0.036 0.000 0.988 13 M CB 0.000 32.616 32.600 0.027 0.000 1.302 14 F N -0.427 119.522 119.950 -0.001 0.000 3.087 14 F HA 0.593 5.120 4.527 -0.000 0.000 0.371 14 F C 0.374 176.174 175.800 -0.000 0.000 1.144 14 F CA -0.311 57.689 58.000 -0.001 0.000 1.030 14 F CB -0.246 38.754 39.000 -0.000 0.000 1.366 14 F HN 0.381 nan 8.300 nan 0.000 0.522 15 E N 1.494 121.975 120.200 0.468 0.000 2.797 15 E HA 0.202 4.552 4.350 -0.000 0.000 0.315 15 E C 0.032 176.712 176.600 0.133 0.000 0.666 15 E CA 0.088 56.667 56.400 0.297 0.000 1.587 15 E CB -0.227 29.610 29.700 0.228 0.000 1.775 15 E HN 0.129 nan 8.360 nan 0.000 0.522 16 N N 1.025 119.778 118.700 0.089 0.000 2.453 16 N HA 0.051 4.791 4.740 -0.000 0.000 0.253 16 N C -0.322 175.212 175.510 0.039 0.000 1.252 16 N CA 0.158 53.240 53.050 0.053 0.000 0.917 16 N CB 0.327 38.837 38.487 0.038 0.000 1.117 16 N HN 0.373 nan 8.380 nan 0.000 0.442 17 I N 1.206 121.792 120.570 0.027 0.000 6.340 17 I HA -0.373 3.797 4.170 -0.000 0.000 0.126 17 I C -0.191 175.936 176.117 0.017 0.000 1.427 17 I CA 0.698 62.009 61.300 0.018 0.000 2.506 17 I CB -0.512 37.495 38.000 0.013 0.000 2.696 17 I HN 0.621 nan 8.210 nan 0.000 0.291 18 T N 5.331 119.892 114.554 0.010 0.000 2.292 18 T HA 0.930 5.280 4.350 -0.000 0.000 0.205 18 T C 0.212 174.911 174.700 -0.000 0.000 0.863 18 T CA 0.339 62.441 62.100 0.004 0.000 1.243 18 T CB 1.236 70.102 68.868 -0.003 0.000 3.036 18 T HN 1.010 nan 8.240 nan 0.000 0.446 19 A N -1.248 121.568 122.820 -0.006 0.000 4.056 19 A HA 0.846 5.166 4.320 -0.000 0.000 0.277 19 A C -0.324 177.252 177.584 -0.013 0.000 1.037 19 A CA 0.485 52.517 52.037 -0.008 0.000 0.572 19 A CB -0.079 18.917 19.000 -0.008 0.000 1.685 19 A HN 1.306 nan 8.150 nan 0.000 0.799 20 A N -1.656 121.155 122.820 -0.015 0.000 3.445 20 A HA 0.511 4.831 4.320 -0.000 0.000 0.184 20 A C -1.869 175.704 177.584 -0.018 0.000 1.331 20 A CA 1.113 53.139 52.037 -0.018 0.000 1.364 20 A CB -1.475 17.516 19.000 -0.015 0.000 1.117 20 A HN 1.211 nan 8.150 nan 0.000 0.502 21 P HA 0.687 nan 4.420 nan 0.000 0.281 21 P C 0.181 177.474 177.300 -0.012 0.000 1.281 21 P CA 0.371 63.465 63.100 -0.011 0.000 0.811 21 P CB 0.266 31.963 31.700 -0.006 0.000 1.154 22 A N 0.714 123.530 122.820 -0.006 0.000 2.142 22 A HA -0.184 4.136 4.320 -0.000 0.000 0.324 22 A C 0.245 177.824 177.584 -0.008 0.000 0.809 22 A CA 0.814 52.849 52.037 -0.002 0.000 1.411 22 A CB -1.480 17.524 19.000 0.007 0.000 0.644 22 A HN 0.717 nan 8.150 nan 0.000 0.258 23 D N 3.455 123.850 120.400 -0.008 0.000 2.348 23 D HA 0.393 5.033 4.640 -0.000 0.000 0.253 23 D C -1.521 174.780 176.300 0.001 0.000 1.161 23 D CA -1.242 52.748 54.000 -0.017 0.000 0.876 23 D CB 0.753 41.539 40.800 -0.023 0.000 1.160 23 D HN 0.345 nan 8.370 nan 0.000 0.459 24 P HA 0.135 nan 4.420 nan 0.000 0.230 24 P C -0.317 177.002 177.300 0.032 0.000 1.791 24 P CA 0.071 63.179 63.100 0.015 0.000 1.020 24 P CB 0.119 31.821 31.700 0.003 0.000 1.977 25 I N 0.480 121.075 120.570 0.042 0.000 4.665 25 I HA 0.036 4.206 4.170 -0.000 0.000 0.360 25 I C 1.345 177.499 176.117 0.062 0.000 1.259 25 I CA 0.138 61.474 61.300 0.060 0.000 1.301 25 I CB 0.530 38.566 38.000 0.060 0.000 1.746 25 I HN -0.022 nan 8.210 nan 0.000 0.598 26 L N 0.226 121.483 121.223 0.056 0.000 2.375 26 L HA 0.299 4.639 4.340 -0.000 0.000 0.215 26 L C 1.940 178.861 176.870 0.085 0.000 1.108 26 L CA 1.662 56.539 54.840 0.061 0.000 0.830 26 L CB -1.251 40.837 42.059 0.048 0.000 0.959 26 L HN 0.342 nan 8.230 nan 0.000 0.457 27 G N 1.109 109.957 108.800 0.081 0.000 4.735 27 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.223 27 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.223 27 G C 1.196 176.181 174.900 0.141 0.000 1.024 27 G CA 1.826 46.981 45.100 0.092 0.000 0.595 27 G HN 0.498 nan 8.290 nan 0.000 0.832 28 L N -3.153 118.173 121.223 0.172 0.000 1.978 28 L HA 0.343 4.683 4.340 -0.000 0.000 0.210 28 L C 2.415 179.403 176.870 0.197 0.000 1.184 28 L CA 1.082 56.088 54.840 0.277 0.000 1.208 28 L CB -1.535 40.738 42.059 0.357 0.000 2.497 28 L HN 0.399 nan 8.230 nan 0.000 0.519 29 A N 1.715 124.619 122.820 0.139 0.000 4.512 29 A HA -0.397 3.923 4.320 -0.000 0.000 0.353 29 A C 1.688 179.324 177.584 0.087 0.000 1.537 29 A CA 2.954 55.050 52.037 0.100 0.000 0.843 29 A CB -1.665 17.377 19.000 0.071 0.000 1.321 29 A HN 0.522 nan 8.150 nan 0.000 0.412 30 D N -0.833 119.596 120.400 0.048 0.000 2.144 30 D HA 0.021 4.661 4.640 -0.000 0.000 0.207 30 D C 1.909 178.185 176.300 -0.040 0.000 0.970 30 D CA 1.271 55.266 54.000 -0.008 0.000 0.853 30 D CB -0.539 40.256 40.800 -0.007 0.000 1.007 30 D HN 0.651 nan 8.370 nan 0.000 0.469 31 L N 1.014 122.260 121.223 0.038 0.000 2.483 31 L HA -0.215 4.125 4.340 -0.000 0.000 0.224 31 L C 1.807 178.719 176.870 0.070 0.000 1.135 31 L CA 1.198 56.092 54.840 0.090 0.000 0.790 31 L CB -0.646 41.503 42.059 0.151 0.000 0.911 31 L HN -0.063 nan 8.230 nan 0.000 0.445 32 F N 1.284 121.100 119.950 -0.222 0.000 2.053 32 F HA -0.119 4.408 4.527 -0.000 0.000 0.292 32 F C 2.718 178.241 175.800 -0.462 0.000 1.125 32 F CA 2.061 59.589 58.000 -0.786 0.000 1.193 32 F CB -0.688 37.704 39.000 -1.014 0.000 0.996 32 F HN 0.219 nan 8.300 nan 0.000 0.470 33 R N 1.033 120.792 120.500 -1.235 0.000 2.280 33 R HA 0.071 4.411 4.340 -0.000 0.000 0.207 33 R C 2.000 178.033 176.300 -0.445 0.000 1.043 33 R CA 0.827 56.331 56.100 -0.993 0.000 1.006 33 R CB -0.666 29.209 30.300 -0.708 0.000 0.885 33 R HN 0.411 nan 8.270 nan 0.000 0.467 34 A N 2.264 124.912 122.820 -0.286 0.000 2.261 34 A HA -0.368 3.952 4.320 -0.000 0.000 0.271 34 A C 1.598 179.140 177.584 -0.071 0.000 2.785 34 A CA 2.520 54.489 52.037 -0.112 0.000 1.014 34 A CB -1.563 17.426 19.000 -0.018 0.000 0.645 34 A HN 0.573 nan 8.150 nan 0.000 0.482 35 D N 0.215 120.603 120.400 -0.020 0.000 2.384 35 D HA 0.192 4.832 4.640 -0.000 0.000 0.222 35 D C -0.298 176.002 176.300 0.000 0.000 0.976 35 D CA 1.119 55.128 54.000 0.015 0.000 0.915 35 D CB -0.310 40.535 40.800 0.075 0.000 0.896 35 D HN 0.647 nan 8.370 nan 0.000 0.523 36 E N -0.122 120.050 120.200 -0.045 0.000 3.783 36 E HA -0.239 4.111 4.350 -0.000 0.000 0.154 36 E C -0.082 176.519 176.600 0.002 0.000 1.748 36 E CA 0.546 56.919 56.400 -0.044 0.000 0.854 36 E CB -0.825 28.857 29.700 -0.029 0.000 1.075 36 E HN 0.477 nan 8.360 nan 0.000 0.360 37 R N 0.176 120.686 120.500 0.018 0.000 3.086 37 R HA 0.284 4.624 4.340 -0.000 0.000 0.286 37 R C -3.033 173.343 176.300 0.126 0.000 0.958 37 R CA -1.518 54.623 56.100 0.068 0.000 0.822 37 R CB -0.030 30.316 30.300 0.077 0.000 1.382 37 R HN -0.002 nan 8.270 nan 0.000 0.519 38 P HA 0.023 nan 4.420 nan 0.000 0.231 38 P C 0.613 178.058 177.300 0.242 0.000 1.210 38 P CA 0.763 63.958 63.100 0.158 0.000 1.332 38 P CB -0.476 31.296 31.700 0.119 0.000 1.594 39 G N 3.060 112.069 108.800 0.348 0.000 3.155 39 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.213 39 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.213 39 G C 1.276 176.330 174.900 0.256 0.000 1.196 39 G CA 0.342 45.808 45.100 0.609 0.000 0.846 39 G HN 0.535 nan 8.290 nan 0.000 0.516 40 K N -1.227 119.274 120.400 0.169 0.000 8.495 40 K HA -0.330 3.990 4.320 -0.000 0.000 0.489 40 K C 0.221 176.798 176.600 -0.038 0.000 0.578 40 K CA 2.203 58.529 56.287 0.065 0.000 1.596 40 K CB -1.206 31.322 32.500 0.047 0.000 0.959 40 K HN 0.827 nan 8.250 nan 0.000 1.022 41 I N -0.496 119.945 120.570 -0.214 0.000 1.999 41 I HA 0.043 4.213 4.170 -0.000 0.000 0.319 41 I C -1.731 174.089 176.117 -0.496 0.000 2.694 41 I CA 0.138 61.152 61.300 -0.476 0.000 0.958 41 I CB 0.708 38.556 38.000 -0.254 0.000 2.060 41 I HN 0.548 nan 8.210 nan 0.000 0.670 42 N N 5.349 123.606 118.700 -0.739 0.000 2.971 42 N HA 0.185 4.925 4.740 -0.000 0.000 0.294 42 N C -0.510 174.935 175.510 -0.109 0.000 1.210 42 N CA -0.251 52.609 53.050 -0.317 0.000 1.157 42 N CB -0.098 38.282 38.487 -0.178 0.000 1.450 42 N HN 0.482 nan 8.380 nan 0.000 0.527 43 L N 1.347 122.526 121.223 -0.073 0.000 2.600 43 L HA 0.300 4.640 4.340 -0.000 0.000 0.278 43 L C 0.879 177.767 176.870 0.030 0.000 1.139 43 L CA 0.673 55.500 54.840 -0.022 0.000 0.933 43 L CB -0.195 41.845 42.059 -0.032 0.000 1.266 43 L HN 0.779 nan 8.230 nan 0.000 0.471 44 G N 4.619 113.455 108.800 0.059 0.000 2.246 44 G HA2 0.080 4.040 3.960 -0.000 0.000 0.196 44 G HA3 0.080 4.040 3.960 -0.000 0.000 0.196 44 G C -1.022 173.933 174.900 0.092 0.000 2.264 44 G CA -0.805 44.352 45.100 0.097 0.000 1.089 44 G HN 0.381 nan 8.290 nan 0.000 0.599 45 I N 0.296 120.946 120.570 0.134 0.000 3.002 45 I HA 0.716 4.886 4.170 -0.000 0.000 0.310 45 I C 1.288 177.516 176.117 0.187 0.000 1.087 45 I CA -0.674 60.699 61.300 0.122 0.000 1.017 45 I CB 2.400 40.451 38.000 0.085 0.000 1.226 45 I HN 0.379 nan 8.210 nan 0.000 0.443 46 G N 2.461 111.336 108.800 0.126 0.000 3.233 46 G HA2 0.435 4.395 3.960 -0.000 0.000 0.234 46 G HA3 0.435 4.395 3.960 -0.000 0.000 0.234 46 G C -0.289 174.673 174.900 0.104 0.000 1.137 46 G CA 0.152 45.320 45.100 0.113 0.000 0.763 46 G HN 0.280 nan 8.290 nan 0.000 0.549 47 V N -1.232 118.772 119.914 0.150 0.000 3.264 47 V HA 0.352 4.472 4.120 -0.000 0.000 0.294 47 V C -0.658 175.583 176.094 0.245 0.000 1.429 47 V CA -1.452 60.969 62.300 0.203 0.000 1.053 47 V CB 1.785 33.652 31.823 0.073 0.000 1.128 47 V HN 0.209 nan 8.190 nan 0.000 0.452 48 Y N 2.695 123.123 120.300 0.213 0.000 2.190 48 Y HA 0.385 4.935 4.550 -0.000 0.000 0.405 48 Y C 0.437 176.410 175.900 0.122 0.000 1.262 48 Y CA 0.437 58.648 58.100 0.185 0.000 1.867 48 Y CB 0.285 38.919 38.460 0.289 0.000 1.579 48 Y HN 0.640 nan 8.280 nan 0.000 0.726 49 K N 0.457 120.504 120.400 -0.589 0.000 3.035 49 K HA 0.093 4.413 4.320 -0.000 0.000 0.330 49 K C -2.043 174.209 176.600 -0.581 0.000 1.164 49 K CA -0.458 55.628 56.287 -0.336 0.000 0.919 49 K CB 0.612 33.033 32.500 -0.132 0.000 1.368 49 K HN 0.619 nan 8.250 nan 0.000 0.385 50 D N 0.157 120.394 120.400 -0.272 0.000 2.487 50 D HA 0.188 4.828 4.640 -0.000 0.000 0.262 50 D C 0.117 176.343 176.300 -0.124 0.000 1.130 50 D CA -0.564 53.316 54.000 -0.201 0.000 1.038 50 D CB 0.404 41.170 40.800 -0.057 0.000 1.142 50 D HN 0.382 nan 8.370 nan 0.000 0.575 51 E N -1.209 118.944 120.200 -0.078 0.000 2.385 51 E HA 0.109 4.459 4.350 -0.000 0.000 0.201 51 E C 0.028 176.612 176.600 -0.027 0.000 1.250 51 E CA 0.441 56.813 56.400 -0.047 0.000 1.104 51 E CB -0.648 29.036 29.700 -0.028 0.000 1.174 51 E HN 0.468 nan 8.360 nan 0.000 0.461 52 T N -1.987 112.548 114.554 -0.030 0.000 3.417 52 T HA 0.292 4.642 4.350 -0.000 0.000 0.279 52 T C 1.110 175.801 174.700 -0.015 0.000 0.918 52 T CA -0.190 61.903 62.100 -0.012 0.000 1.005 52 T CB 0.566 69.433 68.868 -0.001 0.000 1.212 52 T HN 0.273 nan 8.240 nan 0.000 0.510 53 G N 2.615 111.391 108.800 -0.041 0.000 2.291 53 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.271 53 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.271 53 G C -0.380 174.522 174.900 0.004 0.000 1.099 53 G CA 0.020 45.098 45.100 -0.036 0.000 0.919 53 G HN 0.480 nan 8.290 nan 0.000 0.496 54 K N 0.481 120.887 120.400 0.010 0.000 2.345 54 K HA 0.589 4.909 4.320 -0.000 0.000 0.255 54 K C 0.211 176.854 176.600 0.071 0.000 0.934 54 K CA -0.379 55.934 56.287 0.044 0.000 0.801 54 K CB 1.298 33.824 32.500 0.044 0.000 1.137 54 K HN 0.206 nan 8.250 nan 0.000 0.424 55 T N 1.857 116.476 114.554 0.109 0.000 3.005 55 T HA 0.302 4.652 4.350 -0.000 0.000 0.323 55 T C -2.047 172.750 174.700 0.161 0.000 1.131 55 T CA -1.686 60.521 62.100 0.178 0.000 0.977 55 T CB 0.048 69.056 68.868 0.232 0.000 1.055 55 T HN 0.275 nan 8.240 nan 0.000 0.562 56 P HA 0.204 nan 4.420 nan 0.000 0.275 56 P C 0.962 178.323 177.300 0.102 0.000 1.270 56 P CA -0.763 62.405 63.100 0.114 0.000 0.791 56 P CB 0.626 32.390 31.700 0.107 0.000 1.089 57 V N -0.689 119.273 119.914 0.080 0.000 3.307 57 V HA 0.059 4.179 4.120 -0.000 0.000 0.253 57 V C 1.129 177.261 176.094 0.064 0.000 1.149 57 V CA 1.078 63.419 62.300 0.068 0.000 1.112 57 V CB -0.568 31.295 31.823 0.067 0.000 0.777 57 V HN 0.528 nan 8.190 nan 0.000 0.464 58 L N -1.118 120.141 121.223 0.060 0.000 2.821 58 L HA -0.168 4.172 4.340 -0.000 0.000 0.455 58 L C 1.001 177.900 176.870 0.048 0.000 2.701 58 L CA 2.179 57.050 54.840 0.052 0.000 2.712 58 L CB -1.555 40.546 42.059 0.070 0.000 2.185 58 L HN 0.607 nan 8.230 nan 0.000 0.828 59 T N -2.869 111.721 114.554 0.059 0.000 13.262 59 T HA -0.242 4.108 4.350 -0.000 0.000 0.390 59 T C 0.956 175.697 174.700 0.068 0.000 1.453 59 T CA 2.967 65.099 62.100 0.053 0.000 2.198 59 T CB -1.924 66.967 68.868 0.039 0.000 2.729 59 T HN 2.033 nan 8.240 nan 0.000 0.170 60 S N 0.686 116.428 115.700 0.070 0.000 2.807 60 S HA -0.380 4.090 4.470 -0.000 0.000 0.360 60 S C 2.216 176.861 174.600 0.075 0.000 1.445 60 S CA 4.681 62.933 58.200 0.086 0.000 1.064 60 S CB -2.261 61.028 63.200 0.149 0.000 1.154 60 S HN 2.105 nan 8.310 nan 0.000 0.447 61 V N -0.353 119.618 119.914 0.096 0.000 2.725 61 V HA 0.278 4.398 4.120 -0.000 0.000 0.247 61 V C 2.386 178.514 176.094 0.057 0.000 1.058 61 V CA 1.903 64.250 62.300 0.079 0.000 1.080 61 V CB -0.758 31.137 31.823 0.121 0.000 0.713 61 V HN 0.494 nan 8.190 nan 0.000 0.465 62 K N 0.267 120.706 120.400 0.065 0.000 2.116 62 K HA 0.025 4.345 4.320 -0.000 0.000 0.203 62 K C 2.255 178.891 176.600 0.061 0.000 1.052 62 K CA 0.966 57.291 56.287 0.063 0.000 0.952 62 K CB -0.152 32.383 32.500 0.058 0.000 0.729 62 K HN 0.305 nan 8.250 nan 0.000 0.446 63 K N -0.354 120.078 120.400 0.055 0.000 2.362 63 K HA -0.039 4.281 4.320 -0.000 0.000 0.200 63 K C 1.464 178.102 176.600 0.063 0.000 1.046 63 K CA 1.108 57.425 56.287 0.049 0.000 0.952 63 K CB 0.257 32.777 32.500 0.033 0.000 0.753 63 K HN 0.227 nan 8.250 nan 0.000 0.466 64 A N 0.364 123.225 122.820 0.068 0.000 2.167 64 A HA 0.043 4.363 4.320 -0.000 0.000 0.208 64 A C 1.421 179.090 177.584 0.142 0.000 1.198 64 A CA -0.027 52.075 52.037 0.109 0.000 0.863 64 A CB 0.209 19.231 19.000 0.036 0.000 0.904 64 A HN 0.190 nan 8.150 nan 0.000 0.484 65 E N 0.078 120.336 120.200 0.096 0.000 2.478 65 E HA -0.153 4.197 4.350 -0.000 0.000 0.198 65 E C 1.714 178.370 176.600 0.093 0.000 1.046 65 E CA 0.574 57.038 56.400 0.106 0.000 0.870 65 E CB 0.049 29.822 29.700 0.122 0.000 0.818 65 E HN 0.674 nan 8.360 nan 0.000 0.527 66 Q N 0.154 120.013 119.800 0.098 0.000 2.165 66 Q HA -0.108 4.232 4.340 -0.000 0.000 0.197 66 Q C 1.789 177.833 176.000 0.074 0.000 0.952 66 Q CA 0.546 56.394 55.803 0.076 0.000 0.848 66 Q CB -0.062 28.723 28.738 0.078 0.000 0.931 66 Q HN 0.383 nan 8.270 nan 0.000 0.470 67 Y N 0.473 120.775 120.300 0.003 0.000 2.403 67 Y HA -0.176 4.374 4.550 -0.000 0.000 0.291 67 Y C 1.118 177.015 175.900 -0.005 0.000 1.143 67 Y CA 1.003 59.101 58.100 -0.004 0.000 1.257 67 Y CB 0.308 38.763 38.460 -0.009 0.000 0.984 67 Y HN 0.128 nan 8.280 nan 0.000 0.550 68 L N -0.394 120.733 121.223 -0.159 0.000 2.766 68 L HA 0.079 4.419 4.340 -0.000 0.000 0.242 68 L C 1.441 178.252 176.870 -0.099 0.000 1.136 68 L CA 0.221 54.964 54.840 -0.161 0.000 0.933 68 L CB 0.365 42.422 42.059 -0.003 0.000 1.241 68 L HN 0.302 nan 8.230 nan 0.000 0.522 69 L N -1.290 119.889 121.223 -0.072 0.000 2.556 69 L HA 0.187 4.527 4.340 -0.000 0.000 0.226 69 L C 1.840 178.667 176.870 -0.071 0.000 1.089 69 L CA 0.994 55.806 54.840 -0.047 0.000 0.864 69 L CB 0.138 42.191 42.059 -0.010 0.000 1.067 69 L HN 0.182 nan 8.230 nan 0.000 0.477 70 E N 1.310 121.443 120.200 -0.111 0.000 2.079 70 E HA 0.061 4.411 4.350 -0.000 0.000 0.191 70 E C 0.366 176.864 176.600 -0.171 0.000 0.961 70 E CA 0.698 57.023 56.400 -0.125 0.000 0.823 70 E CB 0.172 29.811 29.700 -0.102 0.000 0.789 70 E HN 0.712 nan 8.360 nan 0.000 0.459 71 N N 0.954 119.485 118.700 -0.281 0.000 2.918 71 N HA 0.229 4.969 4.740 -0.000 0.000 0.270 71 N C -0.518 174.869 175.510 -0.206 0.000 1.536 71 N CA -0.037 52.865 53.050 -0.247 0.000 0.877 71 N CB 0.909 39.245 38.487 -0.251 0.000 1.190 71 N HN -0.130 nan 8.380 nan 0.000 0.492 72 E N 0.881 120.999 120.200 -0.136 0.000 3.846 72 E HA 0.029 4.379 4.350 -0.000 0.000 0.216 72 E C 0.559 177.115 176.600 -0.074 0.000 1.092 72 E CA -0.145 56.195 56.400 -0.101 0.000 1.370 72 E CB 0.647 30.299 29.700 -0.081 0.000 1.227 72 E HN 0.368 nan 8.360 nan 0.000 0.442 73 T N -0.502 114.009 114.554 -0.072 0.000 3.026 73 T HA -0.255 4.095 4.350 -0.000 0.000 0.255 73 T C 0.959 175.632 174.700 -0.046 0.000 1.083 73 T CA 2.217 64.284 62.100 -0.055 0.000 1.166 73 T CB 0.066 68.904 68.868 -0.050 0.000 0.778 73 T HN 0.372 nan 8.240 nan 0.000 0.553 74 T N -1.280 113.245 114.554 -0.048 0.000 2.631 74 T HA 0.457 4.807 4.350 -0.000 0.000 0.217 74 T C -1.186 173.481 174.700 -0.056 0.000 0.958 74 T CA 0.238 62.310 62.100 -0.047 0.000 1.308 74 T CB 0.650 69.496 68.868 -0.037 0.000 1.866 74 T HN 0.335 nan 8.240 nan 0.000 0.429 75 K N 1.013 121.377 120.400 -0.059 0.000 1.776 75 K HA -0.004 4.316 4.320 -0.000 0.000 0.093 75 K C -0.736 175.803 176.600 -0.102 0.000 1.321 75 K CA 0.064 56.307 56.287 -0.073 0.000 0.300 75 K CB -1.738 30.716 32.500 -0.076 0.000 3.400 75 K HN 0.503 nan 8.250 nan 0.000 0.687 76 N N 1.010 119.665 118.700 -0.076 0.000 2.399 76 N HA 0.042 4.782 4.740 -0.000 0.000 0.250 76 N C -0.260 175.218 175.510 -0.054 0.000 1.272 76 N CA -0.175 52.825 53.050 -0.084 0.000 0.928 76 N CB 0.291 38.768 38.487 -0.016 0.000 1.158 76 N HN 0.172 nan 8.380 nan 0.000 0.463 77 Y N 0.143 120.441 120.300 -0.004 0.000 2.960 77 Y HA -0.117 4.433 4.550 -0.000 0.000 0.345 77 Y C 0.706 176.605 175.900 -0.001 0.000 1.277 77 Y CA 0.195 58.295 58.100 0.000 0.000 1.508 77 Y CB 0.270 38.734 38.460 0.008 0.000 1.317 77 Y HN 0.416 nan 8.280 nan 0.000 0.639 78 L N 1.417 122.765 121.223 0.209 0.000 2.334 78 L HA 0.592 4.932 4.340 -0.000 0.000 0.272 78 L C 0.516 177.451 176.870 0.108 0.000 1.020 78 L CA -0.360 54.543 54.840 0.106 0.000 0.812 78 L CB 1.499 43.591 42.059 0.055 0.000 1.264 78 L HN 0.708 nan 8.230 nan 0.000 0.439 79 G N 2.322 111.167 108.800 0.075 0.000 2.664 79 G HA2 0.267 4.227 3.960 -0.000 0.000 0.242 79 G HA3 0.267 4.227 3.960 -0.000 0.000 0.242 79 G C 0.622 175.571 174.900 0.082 0.000 1.225 79 G CA -0.391 44.751 45.100 0.069 0.000 0.849 79 G HN 0.763 nan 8.290 nan 0.000 0.581 80 I N -0.416 120.204 120.570 0.083 0.000 3.609 80 I HA 0.148 4.318 4.170 -0.000 0.000 0.305 80 I C 0.511 176.710 176.117 0.136 0.000 1.239 80 I CA 0.392 61.754 61.300 0.103 0.000 1.191 80 I CB -0.302 37.742 38.000 0.074 0.000 1.020 80 I HN 0.538 nan 8.210 nan 0.000 0.471 81 D N -0.096 120.389 120.400 0.142 0.000 2.615 81 D HA 0.137 4.777 4.640 -0.000 0.000 0.274 81 D C 0.915 177.306 176.300 0.151 0.000 1.512 81 D CA 0.317 54.437 54.000 0.201 0.000 0.803 81 D CB 0.403 41.388 40.800 0.308 0.000 1.182 81 D HN 0.342 nan 8.370 nan 0.000 0.473 82 G N 2.354 111.205 108.800 0.085 0.000 2.620 82 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.315 82 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.315 82 G C 0.121 175.040 174.900 0.031 0.000 1.179 82 G CA 1.152 46.259 45.100 0.012 0.000 0.971 82 G HN 0.665 nan 8.290 nan 0.000 0.544 83 I N -1.963 118.637 120.570 0.050 0.000 2.586 83 I HA 0.478 4.648 4.170 -0.000 0.000 0.288 83 I C -2.794 173.401 176.117 0.130 0.000 1.147 83 I CA -2.366 58.973 61.300 0.065 0.000 1.047 83 I CB 2.519 40.535 38.000 0.027 0.000 1.244 83 I HN 0.184 nan 8.210 nan 0.000 0.429 84 P HA 0.214 nan 4.420 nan 0.000 0.249 84 P C 0.156 177.465 177.300 0.014 0.000 1.593 84 P CA 0.393 63.524 63.100 0.050 0.000 0.896 84 P CB 0.267 31.976 31.700 0.015 0.000 1.581 85 E N -1.577 118.641 120.200 0.030 0.000 2.290 85 E HA 0.048 4.398 4.350 -0.000 0.000 0.197 85 E C 1.224 177.797 176.600 -0.046 0.000 0.948 85 E CA 0.174 56.566 56.400 -0.012 0.000 0.895 85 E CB -0.728 28.966 29.700 -0.011 0.000 0.865 85 E HN 0.174 nan 8.360 nan 0.000 0.486 86 F N 1.494 121.370 119.950 -0.123 0.000 2.146 86 F HA 0.042 4.569 4.527 -0.000 0.000 0.298 86 F C 2.011 177.740 175.800 -0.119 0.000 1.096 86 F CA 1.846 59.731 58.000 -0.191 0.000 1.275 86 F CB -0.553 38.310 39.000 -0.228 0.000 1.008 86 F HN 0.046 nan 8.300 nan 0.000 0.480 87 G N 0.786 109.535 108.800 -0.086 0.000 2.414 87 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.215 87 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.215 87 G C 1.622 176.453 174.900 -0.115 0.000 1.188 87 G CA 0.864 45.918 45.100 -0.077 0.000 0.783 87 G HN 0.498 nan 8.290 nan 0.000 0.537 88 R N 0.124 120.573 120.500 -0.086 0.000 2.115 88 R HA 0.002 4.342 4.340 -0.000 0.000 0.230 88 R C 2.444 178.688 176.300 -0.093 0.000 1.111 88 R CA 1.663 57.723 56.100 -0.067 0.000 0.976 88 R CB -1.251 29.022 30.300 -0.045 0.000 0.870 88 R HN 0.466 nan 8.270 nan 0.000 0.445 89 C N -1.319 117.894 119.300 -0.146 0.000 2.533 89 C HA 0.267 4.727 4.460 -0.000 0.000 0.272 89 C C 2.437 177.315 174.990 -0.186 0.000 1.371 89 C CA -0.049 58.884 59.018 -0.142 0.000 1.758 89 C CB -0.433 27.232 27.740 -0.124 0.000 1.972 89 C HN 0.432 nan 8.230 nan 0.000 0.522 90 T N 1.325 115.707 114.554 -0.286 0.000 2.607 90 T HA -0.249 4.101 4.350 -0.000 0.000 0.267 90 T C 1.949 176.494 174.700 -0.257 0.000 1.049 90 T CA 2.528 64.441 62.100 -0.312 0.000 1.162 90 T CB -0.396 68.174 68.868 -0.497 0.000 0.863 90 T HN 0.568 nan 8.240 nan 0.000 0.424 91 Q N 1.038 120.734 119.800 -0.173 0.000 1.943 91 Q HA -0.184 4.156 4.340 -0.000 0.000 0.213 91 Q C 2.154 178.131 176.000 -0.038 0.000 1.017 91 Q CA 2.602 58.385 55.803 -0.034 0.000 0.874 91 Q CB -0.607 28.149 28.738 0.030 0.000 0.960 91 Q HN 0.658 nan 8.270 nan 0.000 0.417 92 E N -0.754 119.424 120.200 -0.037 0.000 2.070 92 E HA -0.212 4.138 4.350 -0.000 0.000 0.197 92 E C 2.027 178.578 176.600 -0.082 0.000 1.004 92 E CA 1.371 57.754 56.400 -0.029 0.000 0.805 92 E CB -0.316 29.360 29.700 -0.040 0.000 0.744 92 E HN 0.446 nan 8.360 nan 0.000 0.451 93 L N 0.296 121.435 121.223 -0.141 0.000 2.217 93 L HA -0.082 4.258 4.340 -0.000 0.000 0.211 93 L C 2.083 178.776 176.870 -0.295 0.000 1.107 93 L CA 0.211 54.946 54.840 -0.175 0.000 0.783 93 L CB 0.032 41.989 42.059 -0.169 0.000 0.919 93 L HN 0.265 nan 8.230 nan 0.000 0.442 94 L N -1.448 119.517 121.223 -0.430 0.000 1.972 94 L HA -0.119 4.221 4.340 -0.000 0.000 0.209 94 L C 2.212 178.790 176.870 -0.487 0.000 1.125 94 L CA 1.131 55.564 54.840 -0.679 0.000 0.784 94 L CB -0.672 40.754 42.059 -1.055 0.000 0.902 94 L HN 0.026 nan 8.230 nan 0.000 0.444 95 F N 0.455 120.333 119.950 -0.120 0.000 2.176 95 F HA -0.127 4.400 4.527 -0.000 0.000 0.301 95 F C 1.312 177.072 175.800 -0.067 0.000 1.071 95 F CA 0.713 58.663 58.000 -0.084 0.000 1.289 95 F CB -0.825 38.139 39.000 -0.061 0.000 1.028 95 F HN 0.390 nan 8.300 nan 0.000 0.494 96 G N -0.178 108.649 108.800 0.045 0.000 2.697 96 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.686 96 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.686 96 G C 0.233 175.158 174.900 0.040 0.000 1.179 96 G CA -0.575 44.534 45.100 0.015 0.000 0.765 96 G HN 0.294 nan 8.290 nan 0.000 0.649 97 K N 0.700 121.106 120.400 0.010 0.000 1.989 97 K HA -0.253 4.067 4.320 -0.000 0.000 0.230 97 K C 2.560 179.169 176.600 0.015 0.000 0.947 97 K CA 2.939 59.230 56.287 0.007 0.000 1.009 97 K CB -1.086 31.415 32.500 0.002 0.000 0.725 97 K HN 1.625 nan 8.250 nan 0.000 0.511 98 G N 0.853 109.662 108.800 0.015 0.000 2.448 98 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.219 98 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.219 98 G C 0.119 175.028 174.900 0.015 0.000 1.127 98 G CA 0.558 45.666 45.100 0.013 0.000 0.766 98 G HN 0.575 nan 8.290 nan 0.000 0.552 99 S N 0.591 116.306 115.700 0.025 0.000 2.629 99 S HA 0.347 4.817 4.470 -0.000 0.000 0.302 99 S C 1.207 175.809 174.600 0.003 0.000 1.244 99 S CA 0.120 58.331 58.200 0.018 0.000 1.098 99 S CB 1.502 64.719 63.200 0.028 0.000 0.858 99 S HN 0.528 nan 8.310 nan 0.000 0.502 100 A N 3.566 126.382 122.820 -0.007 0.000 2.235 100 A HA 0.143 4.463 4.320 -0.000 0.000 0.208 100 A C 1.552 179.118 177.584 -0.030 0.000 1.172 100 A CA 0.055 52.084 52.037 -0.014 0.000 0.786 100 A CB -0.522 18.471 19.000 -0.012 0.000 0.804 100 A HN 0.950 nan 8.150 nan 0.000 0.479 101 L N -1.000 120.198 121.223 -0.041 0.000 2.131 101 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 101 L C 2.188 179.002 176.870 -0.094 0.000 1.092 101 L CA 1.483 56.273 54.840 -0.085 0.000 0.759 101 L CB -0.177 41.807 42.059 -0.125 0.000 0.903 101 L HN 0.494 nan 8.230 nan 0.000 0.435 102 I N -0.038 120.502 120.570 -0.051 0.000 2.252 102 I HA -0.302 3.868 4.170 -0.000 0.000 0.245 102 I C 1.168 177.266 176.117 -0.030 0.000 1.102 102 I CA 1.534 62.820 61.300 -0.023 0.000 1.385 102 I CB 0.091 38.102 38.000 0.018 0.000 1.064 102 I HN 0.341 nan 8.210 nan 0.000 0.414 103 N N -0.234 118.449 118.700 -0.027 0.000 2.467 103 N HA 0.004 4.744 4.740 -0.000 0.000 0.278 103 N C 0.080 175.573 175.510 -0.028 0.000 1.306 103 N CA -0.095 52.940 53.050 -0.026 0.000 0.905 103 N CB 0.369 38.844 38.487 -0.020 0.000 1.236 103 N HN 0.129 nan 8.380 nan 0.000 0.509 104 D N 0.633 121.010 120.400 -0.038 0.000 2.380 104 D HA 0.098 4.738 4.640 -0.000 0.000 0.212 104 D C -0.330 175.945 176.300 -0.041 0.000 1.021 104 D CA 0.615 54.592 54.000 -0.038 0.000 0.884 104 D CB 0.456 41.225 40.800 -0.050 0.000 1.001 104 D HN -0.026 nan 8.370 nan 0.000 0.506 105 K N 0.118 120.489 120.400 -0.049 0.000 5.946 105 K HA -0.193 4.127 4.320 -0.000 0.000 0.541 105 K C -0.282 176.282 176.600 -0.059 0.000 1.298 105 K CA 0.516 56.771 56.287 -0.053 0.000 1.487 105 K CB -1.219 31.255 32.500 -0.043 0.000 1.783 105 K HN 0.496 nan 8.250 nan 0.000 0.380 106 R N -0.278 120.175 120.500 -0.079 0.000 2.472 106 R HA 0.512 4.852 4.340 -0.000 0.000 0.368 106 R C -0.591 175.647 176.300 -0.105 0.000 0.825 106 R CA -0.003 56.050 56.100 -0.079 0.000 1.025 106 R CB 0.726 30.983 30.300 -0.071 0.000 1.541 106 R HN 0.444 nan 8.270 nan 0.000 0.589 107 A N 1.118 123.883 122.820 -0.091 0.000 2.583 107 A HA 0.713 5.033 4.320 -0.000 0.000 0.298 107 A C -1.461 176.110 177.584 -0.022 0.000 1.055 107 A CA -0.951 51.057 52.037 -0.049 0.000 0.714 107 A CB 1.335 20.241 19.000 -0.156 0.000 1.277 107 A HN 0.257 nan 8.150 nan 0.000 0.406 108 R N 0.153 120.665 120.500 0.021 0.000 2.771 108 R HA 0.831 5.171 4.340 -0.000 0.000 0.274 108 R C -1.163 175.276 176.300 0.232 0.000 0.987 108 R CA -0.556 55.468 56.100 -0.127 0.000 0.908 108 R CB 2.362 32.216 30.300 -0.743 0.000 1.213 108 R HN 0.865 nan 8.270 nan 0.000 0.468 109 T N -0.219 114.470 114.554 0.224 0.000 2.921 109 T HA 0.676 5.026 4.350 -0.000 0.000 0.297 109 T C -0.962 173.989 174.700 0.418 0.000 1.013 109 T CA -0.409 61.903 62.100 0.352 0.000 0.990 109 T CB 1.514 70.498 68.868 0.194 0.000 1.023 109 T HN 0.692 nan 8.240 nan 0.000 0.447 110 A N 3.737 126.822 122.820 0.441 0.000 2.256 110 A HA 0.742 5.062 4.320 -0.000 0.000 0.318 110 A C 0.196 177.947 177.584 0.278 0.000 1.103 110 A CA -0.751 51.511 52.037 0.374 0.000 0.860 110 A CB 0.953 20.097 19.000 0.240 0.000 1.182 110 A HN 0.876 nan 8.150 nan 0.000 0.501 111 Q N -0.661 119.254 119.800 0.191 0.000 2.317 111 Q HA 0.547 4.886 4.340 -0.000 0.000 0.229 111 Q C -0.832 175.196 176.000 0.047 0.000 0.984 111 Q CA 0.028 55.872 55.803 0.068 0.000 0.911 111 Q CB 1.184 29.820 28.738 -0.170 0.000 1.217 111 Q HN 0.746 nan 8.270 nan 0.000 0.501 112 T N 1.351 115.879 114.554 -0.043 0.000 2.957 112 T HA 0.338 4.688 4.350 -0.000 0.000 0.336 112 T C -2.794 171.801 174.700 -0.176 0.000 1.462 112 T CA -1.278 60.786 62.100 -0.060 0.000 1.073 112 T CB 1.280 70.207 68.868 0.099 0.000 1.319 112 T HN 0.311 nan 8.240 nan 0.000 0.485 113 P HA 0.272 nan 4.420 nan 0.000 0.256 113 P C 0.693 177.933 177.300 -0.101 0.000 1.688 113 P CA 0.169 63.115 63.100 -0.258 0.000 1.162 113 P CB -0.517 30.973 31.700 -0.350 0.000 1.870 114 G N 2.934 111.697 108.800 -0.061 0.000 3.253 114 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.276 114 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.276 114 G C 1.077 175.972 174.900 -0.010 0.000 0.492 114 G CA -0.017 45.078 45.100 -0.009 0.000 1.198 114 G HN 0.742 nan 8.290 nan 0.000 0.301 115 G N 0.986 109.770 108.800 -0.026 0.000 2.805 115 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.360 115 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.360 115 G C 1.969 176.848 174.900 -0.034 0.000 1.164 115 G CA 2.970 48.015 45.100 -0.092 0.000 0.954 115 G HN 2.448 nan 8.290 nan 0.000 0.597 116 T N 0.534 115.079 114.554 -0.015 0.000 2.977 116 T HA 0.240 4.590 4.350 -0.000 0.000 0.271 116 T C 2.213 176.968 174.700 0.093 0.000 1.105 116 T CA 1.815 64.013 62.100 0.164 0.000 1.116 116 T CB -0.546 68.587 68.868 0.442 0.000 0.878 116 T HN 1.410 nan 8.240 nan 0.000 0.509 117 G N -0.505 108.336 108.800 0.067 0.000 2.880 117 G HA2 0.433 4.393 3.960 -0.000 0.000 0.209 117 G HA3 0.433 4.393 3.960 -0.000 0.000 0.209 117 G C 1.458 176.425 174.900 0.113 0.000 1.157 117 G CA 0.416 45.567 45.100 0.085 0.000 0.779 117 G HN 0.654 nan 8.290 nan 0.000 0.539 118 A N 0.077 122.951 122.820 0.090 0.000 2.197 118 A HA 0.434 4.754 4.320 -0.000 0.000 0.210 118 A C 2.055 179.702 177.584 0.105 0.000 1.180 118 A CA 0.047 52.152 52.037 0.114 0.000 0.846 118 A CB 0.014 19.088 19.000 0.123 0.000 0.884 118 A HN 0.273 nan 8.150 nan 0.000 0.487 119 L N -1.181 120.082 121.223 0.066 0.000 2.270 119 L HA 0.128 4.468 4.340 -0.000 0.000 0.210 119 L C 2.476 179.260 176.870 -0.143 0.000 1.104 119 L CA 0.780 55.621 54.840 0.001 0.000 0.804 119 L CB -0.353 41.703 42.059 -0.006 0.000 0.937 119 L HN 0.344 nan 8.230 nan 0.000 0.450 120 R N 0.282 120.729 120.500 -0.087 0.000 2.161 120 R HA -0.049 4.291 4.340 -0.000 0.000 0.213 120 R C 2.150 178.445 176.300 -0.007 0.000 1.055 120 R CA 0.683 56.728 56.100 -0.091 0.000 0.996 120 R CB 0.134 30.402 30.300 -0.053 0.000 0.901 120 R HN 0.232 nan 8.270 nan 0.000 0.456 121 V N 0.741 120.680 119.914 0.042 0.000 2.809 121 V HA -0.025 4.095 4.120 -0.000 0.000 0.256 121 V C 2.004 178.166 176.094 0.114 0.000 1.080 121 V CA 1.614 63.949 62.300 0.057 0.000 1.102 121 V CB 0.067 31.937 31.823 0.078 0.000 0.705 121 V HN 0.431 nan 8.190 nan 0.000 0.475 122 A N -0.075 122.828 122.820 0.139 0.000 1.897 122 A HA 0.093 4.413 4.320 -0.000 0.000 0.215 122 A C 2.414 180.167 177.584 0.282 0.000 1.181 122 A CA 1.659 53.846 52.037 0.251 0.000 0.620 122 A CB -0.822 18.328 19.000 0.249 0.000 0.821 122 A HN 0.747 nan 8.150 nan 0.000 0.443 123 A N 0.936 123.862 122.820 0.176 0.000 1.902 123 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 123 A C 1.577 179.217 177.584 0.094 0.000 1.181 123 A CA 1.977 54.107 52.037 0.155 0.000 0.623 123 A CB -0.520 18.508 19.000 0.046 0.000 0.818 123 A HN 0.568 nan 8.150 nan 0.000 0.443 124 D N -1.477 118.966 120.400 0.073 0.000 2.346 124 D HA 0.015 4.655 4.640 -0.000 0.000 0.206 124 D C 1.439 177.768 176.300 0.048 0.000 1.001 124 D CA 0.496 54.518 54.000 0.037 0.000 0.871 124 D CB -0.572 40.237 40.800 0.016 0.000 0.943 124 D HN 0.490 nan 8.370 nan 0.000 0.518 125 F N 1.502 121.460 119.950 0.014 0.000 2.098 125 F HA -0.008 4.519 4.527 0.000 0.000 0.294 125 F C 1.750 177.574 175.800 0.039 0.000 1.107 125 F CA 0.749 58.754 58.000 0.008 0.000 1.234 125 F CB -0.472 38.527 39.000 -0.001 0.000 1.002 125 F HN -0.088 nan 8.300 nan 0.000 0.472 126 L N 0.935 121.986 121.223 -0.287 0.000 2.131 126 L HA 0.022 4.362 4.340 -0.000 0.000 0.210 126 L C 2.577 179.306 176.870 -0.234 0.000 1.092 126 L CA 1.652 56.267 54.840 -0.374 0.000 0.759 126 L CB -1.501 40.547 42.059 -0.019 0.000 0.903 126 L HN 0.337 nan 8.230 nan 0.000 0.435 127 A N -0.024 122.725 122.820 -0.117 0.000 1.851 127 A HA -0.215 4.105 4.320 -0.000 0.000 0.216 127 A C 1.646 179.154 177.584 -0.127 0.000 1.195 127 A CA 1.790 53.780 52.037 -0.079 0.000 0.622 127 A CB -0.579 18.399 19.000 -0.038 0.000 0.831 127 A HN 0.545 nan 8.150 nan 0.000 0.444 128 K N -0.587 119.724 120.400 -0.148 0.000 2.797 128 K HA -0.009 4.311 4.320 -0.000 0.000 0.307 128 K C 1.303 177.759 176.600 -0.241 0.000 1.072 128 K CA 0.220 56.421 56.287 -0.143 0.000 0.981 128 K CB -0.302 32.153 32.500 -0.076 0.000 1.078 128 K HN 0.360 nan 8.250 nan 0.000 0.459 129 N N -0.248 118.343 118.700 -0.182 0.000 1.972 129 N HA -0.293 4.447 4.740 -0.000 0.000 0.131 129 N C -0.562 174.854 175.510 -0.158 0.000 0.187 129 N CA 2.699 55.667 53.050 -0.136 0.000 1.494 129 N CB -1.568 36.904 38.487 -0.026 0.000 1.036 129 N HN 0.710 nan 8.380 nan 0.000 0.738 130 T N 0.885 115.264 114.554 -0.292 0.000 2.888 130 T HA 0.183 4.533 4.350 -0.000 0.000 0.301 130 T C 0.789 175.429 174.700 -0.100 0.000 1.001 130 T CA 0.410 62.407 62.100 -0.170 0.000 1.147 130 T CB 0.546 69.265 68.868 -0.248 0.000 0.931 130 T HN 0.482 nan 8.240 nan 0.000 0.541 131 S N 2.486 118.161 115.700 -0.041 0.000 2.596 131 S HA 0.326 4.796 4.470 -0.000 0.000 0.248 131 S C 0.228 174.823 174.600 -0.008 0.000 1.162 131 S CA -0.721 57.467 58.200 -0.021 0.000 1.185 131 S CB -0.216 62.983 63.200 -0.001 0.000 0.833 131 S HN 0.407 nan 8.310 nan 0.000 0.472 132 V N 1.198 121.102 119.914 -0.016 0.000 2.837 132 V HA 0.461 4.581 4.120 -0.000 0.000 0.310 132 V C 0.559 176.646 176.094 -0.012 0.000 1.059 132 V CA -0.509 61.792 62.300 0.001 0.000 1.004 132 V CB 1.957 33.793 31.823 0.021 0.000 1.045 132 V HN 0.525 nan 8.190 nan 0.000 0.465 133 K N 2.694 123.084 120.400 -0.017 0.000 2.517 133 K HA 0.317 4.637 4.320 -0.000 0.000 0.210 133 K C 0.072 176.632 176.600 -0.066 0.000 1.166 133 K CA -0.169 56.097 56.287 -0.035 0.000 1.030 133 K CB 0.783 33.261 32.500 -0.037 0.000 0.974 133 K HN 0.705 nan 8.250 nan 0.000 0.585 134 R N -0.779 119.677 120.500 -0.073 0.000 2.709 134 R HA 0.353 4.693 4.340 -0.000 0.000 0.270 134 R C -2.182 174.023 176.300 -0.158 0.000 1.038 134 R CA -0.775 55.239 56.100 -0.144 0.000 0.872 134 R CB 1.406 31.566 30.300 -0.233 0.000 1.259 134 R HN -0.104 nan 8.270 nan 0.000 0.473 135 V N 2.577 122.332 119.914 -0.264 0.000 2.525 135 V HA 0.685 4.805 4.120 -0.000 0.000 0.299 135 V C -1.754 174.191 176.094 -0.248 0.000 1.034 135 V CA -0.603 61.507 62.300 -0.317 0.000 0.863 135 V CB 1.320 32.775 31.823 -0.614 0.000 0.999 135 V HN 0.709 nan 8.190 nan 0.000 0.423 136 W N 5.912 127.024 121.300 -0.314 0.000 2.390 136 W HA 0.697 5.357 4.660 -0.000 0.000 0.312 136 W C 0.285 176.582 176.519 -0.370 0.000 1.123 136 W CA -1.013 56.164 57.345 -0.281 0.000 1.202 136 W CB 0.258 29.618 29.460 -0.167 0.000 1.251 136 W HN 0.369 nan 8.180 nan 0.000 0.511 137 V N 1.454 121.187 119.914 -0.301 0.000 2.523 137 V HA 0.374 4.494 4.120 -0.000 0.000 0.226 137 V C 0.610 176.051 176.094 -1.088 0.000 1.107 137 V CA 1.064 63.050 62.300 -0.522 0.000 1.121 137 V CB -0.477 31.156 31.823 -0.317 0.000 0.753 137 V HN 0.713 nan 8.190 nan 0.000 0.497 138 S N 0.039 115.127 115.700 -1.020 0.000 2.925 138 S HA 0.066 4.536 4.470 -0.000 0.000 0.262 138 S C -1.826 172.581 174.600 -0.323 0.000 0.725 138 S CA -0.625 57.007 58.200 -0.947 0.000 0.871 138 S CB -0.031 62.845 63.200 -0.541 0.000 1.096 138 S HN 0.567 nan 8.310 nan 0.000 0.551 139 N N 3.872 122.461 118.700 -0.185 0.000 2.491 139 N HA 0.553 5.293 4.740 -0.000 0.000 0.274 139 N C -2.786 172.821 175.510 0.161 0.000 1.023 139 N CA -1.439 51.625 53.050 0.022 0.000 0.902 139 N CB 2.281 40.789 38.487 0.035 0.000 1.267 139 N HN 0.589 nan 8.380 nan 0.000 0.503 140 P HA 0.169 nan 4.420 nan 0.000 0.276 140 P C -0.237 177.186 177.300 0.204 0.000 1.244 140 P CA -0.190 63.039 63.100 0.215 0.000 0.801 140 P CB 1.924 33.781 31.700 0.261 0.000 1.006 141 S N 0.527 116.310 115.700 0.138 0.000 4.400 141 S HA 0.549 5.019 4.470 -0.000 0.000 0.209 141 S C -1.571 173.145 174.600 0.193 0.000 1.056 141 S CA -0.483 57.818 58.200 0.169 0.000 1.814 141 S CB 0.011 63.293 63.200 0.137 0.000 0.808 141 S HN 0.606 nan 8.310 nan 0.000 0.749 142 W N 2.739 124.080 121.300 0.069 0.000 2.802 142 W HA 0.543 5.203 4.660 0.000 0.000 0.331 142 W C -2.786 173.772 176.519 0.065 0.000 1.021 142 W CA -2.027 55.321 57.345 0.006 0.000 1.259 142 W CB 1.602 31.008 29.460 -0.090 0.000 1.323 142 W HN 0.363 nan 8.180 nan 0.000 0.432 143 P HA -0.054 nan 4.420 nan 0.000 0.239 143 P C 0.613 177.562 177.300 -0.585 0.000 1.184 143 P CA 1.378 64.251 63.100 -0.378 0.000 0.760 143 P CB 0.311 31.890 31.700 -0.200 0.000 0.884 144 N N -1.787 116.177 118.700 -1.227 0.000 2.356 144 N HA -0.019 4.721 4.740 -0.000 0.000 0.178 144 N C 1.639 176.654 175.510 -0.825 0.000 1.075 144 N CA 0.037 52.449 53.050 -1.063 0.000 0.889 144 N CB -0.199 37.537 38.487 -1.251 0.000 0.999 144 N HN 0.123 nan 8.380 nan 0.000 0.464 145 H N 0.478 119.018 119.070 -0.884 0.000 2.293 145 H HA -0.111 4.445 4.556 0.000 0.000 0.300 145 H C 1.825 177.192 175.328 0.066 0.000 1.082 145 H CA 1.403 57.333 56.048 -0.195 0.000 1.308 145 H CB 0.223 30.021 29.762 0.059 0.000 1.375 145 H HN 0.149 nan 8.280 nan 0.000 0.495 146 K N 0.327 120.785 120.400 0.097 0.000 2.439 146 K HA -0.024 4.296 4.320 -0.000 0.000 0.197 146 K C 1.479 178.108 176.600 0.047 0.000 1.041 146 K CA 1.397 57.732 56.287 0.081 0.000 0.970 146 K CB 0.286 32.782 32.500 -0.006 0.000 0.773 146 K HN 0.115 nan 8.250 nan 0.000 0.479 147 S N 0.787 116.461 115.700 -0.043 0.000 2.456 147 S HA -0.041 4.429 4.470 -0.000 0.000 0.224 147 S C 1.591 176.148 174.600 -0.071 0.000 1.035 147 S CA 0.606 58.759 58.200 -0.078 0.000 0.940 147 S CB 0.610 63.719 63.200 -0.152 0.000 0.799 147 S HN 0.376 nan 8.310 nan 0.000 0.508 148 V N -1.622 118.223 119.914 -0.116 0.000 3.444 148 V HA 0.436 4.556 4.120 -0.000 0.000 0.308 148 V C 0.230 176.158 176.094 -0.277 0.000 1.371 148 V CA 0.309 62.501 62.300 -0.180 0.000 1.141 148 V CB -0.630 31.057 31.823 -0.228 0.000 1.037 148 V HN 0.299 nan 8.190 nan 0.000 0.433 149 F N 0.521 120.481 119.950 0.017 0.000 2.772 149 F HA 0.557 5.084 4.527 0.000 0.000 0.316 149 F C 1.367 177.158 175.800 -0.016 0.000 1.114 149 F CA -0.581 57.428 58.000 0.016 0.000 1.191 149 F CB 0.385 39.395 39.000 0.016 0.000 1.065 149 F HN 0.211 nan 8.300 nan 0.000 0.534 150 N N -1.493 117.293 118.700 0.144 0.000 2.181 150 N HA 0.064 4.804 4.740 -0.000 0.000 0.207 150 N C 1.736 177.271 175.510 0.041 0.000 1.182 150 N CA 0.353 53.443 53.050 0.067 0.000 0.893 150 N CB 0.517 39.019 38.487 0.026 0.000 1.032 150 N HN -0.099 nan 8.380 nan 0.000 0.513 151 S N 1.094 116.818 115.700 0.040 0.000 2.365 151 S HA -0.089 4.381 4.470 -0.000 0.000 0.221 151 S C 1.197 175.809 174.600 0.020 0.000 1.037 151 S CA 1.286 59.495 58.200 0.015 0.000 1.060 151 S CB -0.181 63.016 63.200 -0.006 0.000 0.974 151 S HN 0.443 nan 8.310 nan 0.000 0.427 152 A N 0.609 123.453 122.820 0.039 0.000 3.078 152 A HA 0.553 4.873 4.320 -0.000 0.000 0.279 152 A C 1.487 179.087 177.584 0.027 0.000 1.594 152 A CA 0.405 52.459 52.037 0.028 0.000 1.301 152 A CB -1.346 17.672 19.000 0.030 0.000 1.162 152 A HN 0.707 nan 8.150 nan 0.000 0.585 153 G N 1.100 109.909 108.800 0.015 0.000 3.122 153 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.231 153 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.231 153 G C 0.709 175.611 174.900 0.003 0.000 1.188 153 G CA 0.683 45.785 45.100 0.004 0.000 0.977 153 G HN 0.787 nan 8.290 nan 0.000 0.589 154 L N 1.533 122.765 121.223 0.015 0.000 2.999 154 L HA -0.060 4.280 4.340 -0.000 0.000 0.304 154 L C 0.796 177.661 176.870 -0.008 0.000 1.104 154 L CA 1.357 56.203 54.840 0.010 0.000 0.911 154 L CB -0.268 41.838 42.059 0.078 0.000 1.341 154 L HN 0.541 nan 8.230 nan 0.000 0.487 155 E N 1.745 121.908 120.200 -0.063 0.000 2.222 155 E HA 0.379 4.729 4.350 -0.000 0.000 0.272 155 E C -0.434 176.071 176.600 -0.157 0.000 0.982 155 E CA -0.681 55.668 56.400 -0.086 0.000 0.842 155 E CB 2.452 32.099 29.700 -0.089 0.000 1.144 155 E HN 0.479 nan 8.360 nan 0.000 0.397 156 V N 0.942 120.763 119.914 -0.155 0.000 2.686 156 V HA 0.543 4.663 4.120 -0.000 0.000 0.295 156 V C -0.118 175.825 176.094 -0.251 0.000 1.057 156 V CA -0.496 61.677 62.300 -0.212 0.000 1.012 156 V CB 1.510 33.251 31.823 -0.137 0.000 1.006 156 V HN 0.566 nan 8.190 nan 0.000 0.477 157 R N 1.592 121.926 120.500 -0.276 0.000 2.944 157 R HA 0.653 4.993 4.340 -0.000 0.000 0.233 157 R C -0.689 175.584 176.300 -0.045 0.000 1.346 157 R CA -0.613 55.321 56.100 -0.276 0.000 1.082 157 R CB 1.443 31.250 30.300 -0.821 0.000 1.434 157 R HN 0.935 nan 8.270 nan 0.000 0.510 158 E N 0.927 121.174 120.200 0.078 0.000 2.279 158 E HA 0.159 4.509 4.350 -0.000 0.000 0.252 158 E C -0.812 175.872 176.600 0.141 0.000 0.894 158 E CA -0.442 55.959 56.400 0.003 0.000 0.785 158 E CB 1.057 30.736 29.700 -0.035 0.000 1.237 158 E HN 0.475 nan 8.360 nan 0.000 0.418 159 Y N 1.935 122.283 120.300 0.080 0.000 3.166 159 Y HA 0.687 5.237 4.550 -0.000 0.000 0.494 159 Y C 0.175 176.034 175.900 -0.069 0.000 1.234 159 Y CA -0.734 57.310 58.100 -0.092 0.000 2.022 159 Y CB 0.045 38.281 38.460 -0.372 0.000 1.658 159 Y HN 0.303 nan 8.280 nan 0.000 0.684 160 A N -0.229 122.741 122.820 0.249 0.000 1.246 160 A HA 0.400 4.720 4.320 -0.000 0.000 0.216 160 A C -1.556 176.168 177.584 0.234 0.000 1.117 160 A CA -0.527 51.611 52.037 0.168 0.000 0.895 160 A CB -1.437 17.645 19.000 0.137 0.000 0.766 160 A HN 1.196 nan 8.150 nan 0.000 0.413 161 Y N -0.161 120.218 120.300 0.131 0.000 2.662 161 Y HA 0.769 5.319 4.550 -0.000 0.000 0.335 161 Y C -0.107 175.873 175.900 0.134 0.000 1.066 161 Y CA -2.480 55.664 58.100 0.075 0.000 1.116 161 Y CB 0.284 38.755 38.460 0.018 0.000 1.308 161 Y HN 1.679 nan 8.280 nan 0.000 0.502 162 Y N 1.327 121.700 120.300 0.121 0.000 2.991 162 Y HA -0.165 4.385 4.550 -0.000 0.000 0.124 162 Y C -0.453 175.530 175.900 0.138 0.000 2.010 162 Y CA 0.776 58.924 58.100 0.079 0.000 1.007 162 Y CB -1.290 37.275 38.460 0.176 0.000 1.603 162 Y HN 0.845 nan 8.280 nan 0.000 0.346 163 D N 3.135 123.441 120.400 -0.158 0.000 2.349 163 D HA 0.495 5.135 4.640 -0.000 0.000 0.214 163 D C 1.210 177.412 176.300 -0.162 0.000 1.063 163 D CA 1.454 55.429 54.000 -0.041 0.000 0.847 163 D CB 0.137 40.941 40.800 0.008 0.000 0.933 163 D HN 0.963 nan 8.370 nan 0.000 0.513 164 A N 0.353 122.845 122.820 -0.548 0.000 6.310 164 A HA -0.217 4.103 4.320 -0.000 0.000 0.220 164 A C 0.716 178.040 177.584 -0.432 0.000 2.390 164 A CA 0.656 52.405 52.037 -0.481 0.000 0.691 164 A CB -1.108 17.884 19.000 -0.012 0.000 0.836 164 A HN 0.249 nan 8.150 nan 0.000 0.346 165 E N -1.765 118.200 120.200 -0.392 0.000 3.213 165 E HA -0.328 4.022 4.350 -0.000 0.000 0.374 165 E C 0.415 176.375 176.600 -1.066 0.000 1.500 165 E CA 1.167 57.241 56.400 -0.543 0.000 1.497 165 E CB -1.144 28.385 29.700 -0.286 0.000 1.692 165 E HN 1.203 nan 8.360 nan 0.000 0.494 166 N N 2.524 120.797 118.700 -0.712 0.000 2.332 166 N HA -0.088 4.652 4.740 -0.000 0.000 0.274 166 N C -0.619 174.444 175.510 -0.743 0.000 1.351 166 N CA 0.033 52.672 53.050 -0.685 0.000 0.875 166 N CB 0.166 38.446 38.487 -0.345 0.000 1.140 166 N HN 0.212 nan 8.380 nan 0.000 0.489 167 H N 2.774 121.577 119.070 -0.445 0.000 3.109 167 H HA 0.161 4.717 4.556 -0.000 0.000 0.266 167 H C -0.120 175.041 175.328 -0.277 0.000 1.334 167 H CA -0.193 55.581 56.048 -0.456 0.000 1.456 167 H CB -0.461 29.125 29.762 -0.293 0.000 1.587 167 H HN 0.490 nan 8.280 nan 0.000 0.500 168 T N -0.485 113.871 114.554 -0.331 0.000 3.087 168 T HA 0.155 4.505 4.350 -0.000 0.000 0.351 168 T C -0.296 174.217 174.700 -0.312 0.000 1.520 168 T CA -1.115 60.834 62.100 -0.251 0.000 1.111 168 T CB 1.540 70.302 68.868 -0.177 0.000 1.353 168 T HN 0.345 nan 8.240 nan 0.000 0.481 169 L N 1.701 122.713 121.223 -0.352 0.000 2.822 169 L HA 0.138 4.478 4.340 -0.000 0.000 0.288 169 L C -0.471 176.292 176.870 -0.179 0.000 1.182 169 L CA 0.918 55.523 54.840 -0.391 0.000 0.936 169 L CB -0.232 41.524 42.059 -0.506 0.000 1.269 169 L HN 0.730 nan 8.230 nan 0.000 0.476 170 D N 5.015 125.384 120.400 -0.052 0.000 2.441 170 D HA 0.091 4.731 4.640 -0.000 0.000 0.221 170 D C 0.671 177.075 176.300 0.173 0.000 1.156 170 D CA -0.139 53.891 54.000 0.049 0.000 0.896 170 D CB 0.461 41.288 40.800 0.044 0.000 1.028 170 D HN 0.514 nan 8.370 nan 0.000 0.509 171 F N 2.140 122.065 119.950 -0.041 0.000 2.171 171 F HA -0.148 4.379 4.527 0.000 0.000 0.300 171 F C 1.732 177.522 175.800 -0.017 0.000 1.090 171 F CA 1.170 59.149 58.000 -0.035 0.000 1.293 171 F CB 0.086 39.057 39.000 -0.049 0.000 1.013 171 F HN 0.338 nan 8.300 nan 0.000 0.486 172 D N 0.074 120.555 120.400 0.135 0.000 2.092 172 D HA -0.159 4.481 4.640 -0.000 0.000 0.193 172 D C 2.287 178.596 176.300 0.015 0.000 0.994 172 D CA 1.680 55.691 54.000 0.019 0.000 0.828 172 D CB -0.254 40.566 40.800 0.032 0.000 0.963 172 D HN 0.305 nan 8.370 nan 0.000 0.450 173 A N 1.108 123.960 122.820 0.053 0.000 1.968 173 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 173 A C 2.190 179.801 177.584 0.046 0.000 1.169 173 A CA 0.500 52.568 52.037 0.052 0.000 0.638 173 A CB -0.497 18.543 19.000 0.068 0.000 0.812 173 A HN 0.265 nan 8.150 nan 0.000 0.446 174 L N -0.006 121.256 121.223 0.065 0.000 1.925 174 L HA -0.144 4.196 4.340 -0.000 0.000 0.215 174 L C 2.258 179.076 176.870 -0.086 0.000 1.082 174 L CA 1.890 56.736 54.840 0.011 0.000 0.764 174 L CB -0.624 41.487 42.059 0.087 0.000 0.887 174 L HN 0.292 nan 8.230 nan 0.000 0.432 175 I N 0.922 121.444 120.570 -0.081 0.000 2.285 175 I HA -0.391 3.779 4.170 -0.000 0.000 0.253 175 I C 2.298 178.379 176.117 -0.060 0.000 1.104 175 I CA 1.691 62.935 61.300 -0.093 0.000 1.372 175 I CB -1.120 36.768 38.000 -0.186 0.000 1.057 175 I HN 0.562 nan 8.210 nan 0.000 0.431 176 N N -0.413 118.249 118.700 -0.063 0.000 2.220 176 N HA -0.078 4.662 4.740 -0.000 0.000 0.182 176 N C 1.932 177.419 175.510 -0.038 0.000 1.023 176 N CA 1.036 54.064 53.050 -0.035 0.000 0.856 176 N CB -0.014 38.461 38.487 -0.021 0.000 0.997 176 N HN 0.171 nan 8.380 nan 0.000 0.429 177 S N 0.951 116.620 115.700 -0.051 0.000 2.428 177 S HA 0.026 4.496 4.470 -0.000 0.000 0.230 177 S C 1.804 176.245 174.600 -0.264 0.000 1.014 177 S CA 0.316 58.494 58.200 -0.037 0.000 0.957 177 S CB -0.014 63.205 63.200 0.031 0.000 0.784 177 S HN 0.128 nan 8.310 nan 0.000 0.499 178 L N 3.165 124.189 121.223 -0.331 0.000 2.013 178 L HA -0.016 4.324 4.340 -0.000 0.000 0.204 178 L C 2.123 178.723 176.870 -0.450 0.000 1.081 178 L CA 2.289 56.740 54.840 -0.648 0.000 0.751 178 L CB -1.185 40.496 42.059 -0.630 0.000 0.901 178 L HN 0.441 nan 8.230 nan 0.000 0.440 179 N N -0.025 118.682 118.700 0.011 0.000 2.111 179 N HA -0.340 4.400 4.740 -0.000 0.000 0.197 179 N C 1.590 177.226 175.510 0.210 0.000 1.011 179 N CA 2.141 55.372 53.050 0.302 0.000 0.880 179 N CB -0.848 37.721 38.487 0.137 0.000 1.031 179 N HN 0.620 nan 8.380 nan 0.000 0.444 180 E N 0.423 120.667 120.200 0.073 0.000 2.242 180 E HA -0.327 4.023 4.350 -0.000 0.000 0.247 180 E C 0.688 177.493 176.600 0.341 0.000 1.056 180 E CA 2.072 58.576 56.400 0.173 0.000 0.999 180 E CB -0.569 29.266 29.700 0.224 0.000 0.891 180 E HN 0.580 nan 8.360 nan 0.000 0.512 181 A N 0.525 123.732 122.820 0.645 0.000 2.275 181 A HA 0.146 4.466 4.320 -0.000 0.000 0.282 181 A C 0.021 177.887 177.584 0.470 0.000 1.275 181 A CA -0.389 52.015 52.037 0.612 0.000 0.842 181 A CB 0.264 19.622 19.000 0.596 0.000 1.280 181 A HN 0.365 nan 8.150 nan 0.000 0.508 182 Q N -0.833 119.177 119.800 0.350 0.000 2.369 182 Q HA 0.115 4.455 4.340 -0.000 0.000 0.295 182 Q C 1.503 177.676 176.000 0.287 0.000 1.075 182 Q CA 0.563 56.515 55.803 0.249 0.000 0.941 182 Q CB 0.459 29.292 28.738 0.159 0.000 1.260 182 Q HN 0.790 nan 8.270 nan 0.000 0.417 183 A N 3.514 126.440 122.820 0.177 0.000 1.885 183 A HA -0.168 4.152 4.320 -0.000 0.000 0.215 183 A C 1.204 178.906 177.584 0.198 0.000 1.255 183 A CA 1.699 53.821 52.037 0.141 0.000 0.692 183 A CB -1.363 17.672 19.000 0.059 0.000 0.842 183 A HN 0.837 nan 8.150 nan 0.000 0.465 184 G N 0.433 109.315 108.800 0.137 0.000 2.635 184 G HA2 0.378 4.338 3.960 -0.000 0.000 0.289 184 G HA3 0.378 4.338 3.960 -0.000 0.000 0.289 184 G C -0.393 174.596 174.900 0.148 0.000 0.705 184 G CA 0.421 45.597 45.100 0.127 0.000 2.034 184 G HN 0.544 nan 8.290 nan 0.000 0.519 185 D N 0.233 120.760 120.400 0.211 0.000 2.661 185 D HA 0.386 5.026 4.640 -0.000 0.000 0.228 185 D C -1.113 175.300 176.300 0.189 0.000 1.210 185 D CA -0.457 53.666 54.000 0.206 0.000 0.826 185 D CB 2.987 43.989 40.800 0.337 0.000 1.542 185 D HN 0.229 nan 8.370 nan 0.000 0.447 186 V N 2.204 122.183 119.914 0.107 0.000 2.495 186 V HA 0.676 4.796 4.120 -0.000 0.000 0.298 186 V C -0.362 175.712 176.094 -0.033 0.000 1.031 186 V CA -0.346 61.981 62.300 0.044 0.000 0.871 186 V CB 1.315 33.165 31.823 0.045 0.000 0.988 186 V HN 0.364 nan 8.190 nan 0.000 0.432 187 V N 4.555 124.367 119.914 -0.169 0.000 3.109 187 V HA 0.794 4.914 4.120 -0.000 0.000 0.317 187 V C -0.501 175.422 176.094 -0.285 0.000 1.074 187 V CA -0.784 61.305 62.300 -0.352 0.000 1.033 187 V CB 1.633 32.951 31.823 -0.842 0.000 1.111 187 V HN 1.096 nan 8.190 nan 0.000 0.458 188 L N 3.722 124.802 121.223 -0.240 0.000 2.415 188 L HA 0.663 5.003 4.340 -0.000 0.000 0.268 188 L C -0.908 176.008 176.870 0.078 0.000 0.984 188 L CA -0.349 54.438 54.840 -0.088 0.000 0.853 188 L CB 1.161 43.137 42.059 -0.139 0.000 1.215 188 L HN 0.764 nan 8.230 nan 0.000 0.419 189 F N 2.118 121.999 119.950 -0.115 0.000 2.610 189 F HA 0.505 5.032 4.527 -0.000 0.000 0.355 189 F C -0.316 175.424 175.800 -0.100 0.000 1.140 189 F CA -1.104 56.828 58.000 -0.114 0.000 1.037 189 F CB 0.361 39.299 39.000 -0.102 0.000 1.287 189 F HN 0.556 nan 8.300 nan 0.000 0.457 190 H N 2.158 121.355 119.070 0.213 0.000 3.070 190 H HA 0.135 4.691 4.556 -0.000 0.000 0.313 190 H C 1.374 176.772 175.328 0.116 0.000 0.997 190 H CA -0.369 55.785 56.048 0.177 0.000 1.438 190 H CB 0.865 30.774 29.762 0.245 0.000 1.455 190 H HN 0.963 nan 8.280 nan 0.000 0.575 191 G N 2.465 111.169 108.800 -0.160 0.000 2.867 191 G HA2 -0.444 3.516 3.960 -0.000 0.000 0.244 191 G HA3 -0.444 3.516 3.960 -0.000 0.000 0.244 191 G C 0.926 175.709 174.900 -0.194 0.000 1.151 191 G CA 1.891 46.393 45.100 -0.996 0.000 0.750 191 G HN 0.799 nan 8.290 nan 0.000 0.652 192 C N -2.317 117.043 119.300 0.101 0.000 3.184 192 C HA 0.629 5.089 4.460 -0.000 0.000 0.090 192 C C 0.508 175.634 174.990 0.227 0.000 2.503 192 C CA -0.278 58.888 59.018 0.247 0.000 1.143 192 C CB 0.312 28.195 27.740 0.239 0.000 2.015 192 C HN 0.591 nan 8.230 nan 0.000 0.535 193 C N 1.080 120.502 119.300 0.204 0.000 2.455 193 C HA 0.596 5.056 4.460 -0.000 0.000 0.320 193 C C 0.200 175.347 174.990 0.263 0.000 1.226 193 C CA -0.292 58.843 59.018 0.194 0.000 1.569 193 C CB -0.574 27.220 27.740 0.090 0.000 2.200 193 C HN 0.772 nan 8.230 nan 0.000 0.491 194 H N 1.918 121.097 119.070 0.183 0.000 3.077 194 H HA -0.037 4.519 4.556 -0.000 0.000 0.361 194 H C -0.059 175.392 175.328 0.205 0.000 1.195 194 H CA 1.416 57.608 56.048 0.241 0.000 1.389 194 H CB 0.464 30.306 29.762 0.132 0.000 1.323 194 H HN 0.810 nan 8.280 nan 0.000 0.606 195 N N 2.516 121.046 118.700 -0.283 0.000 2.519 195 N HA 0.176 4.916 4.740 -0.000 0.000 0.286 195 N C -2.589 172.547 175.510 -0.623 0.000 1.079 195 N CA -1.741 51.057 53.050 -0.420 0.000 0.878 195 N CB 1.521 39.754 38.487 -0.424 0.000 1.375 195 N HN 0.310 nan 8.380 nan 0.000 0.514 196 P HA 0.134 nan 4.420 nan 0.000 0.259 196 P C -0.701 176.425 177.300 -0.290 0.000 1.530 196 P CA 0.204 63.085 63.100 -0.365 0.000 1.022 196 P CB 0.082 31.466 31.700 -0.526 0.000 1.514 197 T N -3.424 111.218 114.554 0.147 0.000 3.209 197 T HA 0.407 4.757 4.350 -0.000 0.000 0.366 197 T C 0.752 175.528 174.700 0.127 0.000 1.293 197 T CA -0.644 61.471 62.100 0.025 0.000 1.417 197 T CB -0.311 68.457 68.868 -0.167 0.000 1.013 197 T HN 0.023 nan 8.240 nan 0.000 0.572 198 G N 3.651 112.514 108.800 0.104 0.000 2.809 198 G HA2 0.198 4.158 3.960 -0.000 0.000 0.260 198 G HA3 0.198 4.158 3.960 -0.000 0.000 0.260 198 G C 0.581 175.494 174.900 0.021 0.000 0.734 198 G CA -0.034 45.110 45.100 0.074 0.000 2.020 198 G HN 0.812 nan 8.290 nan 0.000 0.578 199 I N -0.260 120.300 120.570 -0.017 0.000 6.460 199 I HA 0.248 4.418 4.170 -0.000 0.000 0.171 199 I C 0.668 176.675 176.117 -0.184 0.000 0.892 199 I CA 0.421 61.629 61.300 -0.153 0.000 1.533 199 I CB 0.137 37.947 38.000 -0.317 0.000 1.307 199 I HN 0.441 nan 8.210 nan 0.000 0.472 200 D N 0.105 120.309 120.400 -0.327 0.000 10.645 200 D HA -0.061 4.579 4.640 -0.000 0.000 0.291 200 D C -2.981 173.081 176.300 -0.396 0.000 3.063 200 D CA -0.778 53.045 54.000 -0.295 0.000 2.875 200 D CB -0.570 40.150 40.800 -0.134 0.000 1.157 200 D HN -0.008 nan 8.370 nan 0.000 0.901 201 P HA 0.250 nan 4.420 nan 0.000 0.282 201 P C 0.416 177.504 177.300 -0.353 0.000 1.262 201 P CA 0.022 62.738 63.100 -0.641 0.000 0.773 201 P CB 0.915 31.996 31.700 -1.032 0.000 0.879 202 T N 1.312 115.720 114.554 -0.243 0.000 2.773 202 T HA 0.046 4.396 4.350 -0.000 0.000 0.337 202 T C 1.322 176.061 174.700 0.066 0.000 1.086 202 T CA -0.494 61.570 62.100 -0.060 0.000 0.998 202 T CB -0.000 68.826 68.868 -0.069 0.000 1.281 202 T HN 0.006 nan 8.240 nan 0.000 0.525 203 L N 1.111 122.400 121.223 0.110 0.000 1.970 203 L HA -0.064 4.276 4.340 -0.000 0.000 0.212 203 L C 2.618 179.601 176.870 0.187 0.000 1.071 203 L CA 1.950 56.894 54.840 0.173 0.000 0.751 203 L CB -1.880 40.250 42.059 0.118 0.000 0.889 203 L HN 0.656 nan 8.230 nan 0.000 0.432 204 E N -0.454 119.818 120.200 0.121 0.000 2.204 204 E HA -0.200 4.150 4.350 -0.000 0.000 0.195 204 E C 2.100 178.808 176.600 0.180 0.000 0.990 204 E CA 0.933 57.414 56.400 0.135 0.000 0.821 204 E CB -0.413 29.348 29.700 0.102 0.000 0.750 204 E HN 0.631 nan 8.360 nan 0.000 0.477 205 Q N -1.116 118.734 119.800 0.085 0.000 2.187 205 Q HA -0.048 4.292 4.340 -0.000 0.000 0.199 205 Q C 1.969 178.076 176.000 0.179 0.000 0.957 205 Q CA 0.786 56.585 55.803 -0.007 0.000 0.857 205 Q CB -0.304 28.109 28.738 -0.541 0.000 0.929 205 Q HN 0.398 nan 8.270 nan 0.000 0.453 206 W N 1.862 123.210 121.300 0.081 0.000 2.407 206 W HA -0.160 4.500 4.660 0.000 0.000 0.305 206 W C 2.416 179.177 176.519 0.403 0.000 1.196 206 W CA 0.635 58.070 57.345 0.149 0.000 1.311 206 W CB 0.184 29.665 29.460 0.035 0.000 1.135 206 W HN 0.185 nan 8.180 nan 0.000 0.514 207 Q N -0.586 119.523 119.800 0.514 0.000 2.133 207 Q HA -0.253 4.087 4.340 -0.000 0.000 0.208 207 Q C 1.996 178.177 176.000 0.301 0.000 0.991 207 Q CA 2.836 58.841 55.803 0.338 0.000 0.867 207 Q CB -0.573 28.301 28.738 0.227 0.000 0.911 207 Q HN 0.143 nan 8.270 nan 0.000 0.417 208 T N 0.142 114.909 114.554 0.356 0.000 2.708 208 T HA -0.128 4.222 4.350 -0.000 0.000 0.266 208 T C 1.428 176.293 174.700 0.274 0.000 1.037 208 T CA 1.005 63.296 62.100 0.317 0.000 1.146 208 T CB -0.136 69.011 68.868 0.465 0.000 0.865 208 T HN 0.100 nan 8.240 nan 0.000 0.435 209 L N 0.304 121.778 121.223 0.419 0.000 2.492 209 L HA 0.332 4.672 4.340 -0.000 0.000 0.223 209 L C 2.294 179.483 176.870 0.531 0.000 1.132 209 L CA 0.547 55.692 54.840 0.508 0.000 0.850 209 L CB -0.494 41.973 42.059 0.680 0.000 0.966 209 L HN 0.190 nan 8.230 nan 0.000 0.454 210 A N -0.771 122.128 122.820 0.132 0.000 1.878 210 A HA -0.150 4.170 4.320 -0.000 0.000 0.213 210 A C 2.048 179.527 177.584 -0.175 0.000 1.192 210 A CA 0.907 52.592 52.037 -0.587 0.000 0.619 210 A CB -0.311 17.779 19.000 -1.516 0.000 0.837 210 A HN 0.503 nan 8.150 nan 0.000 0.446 211 Q N 0.412 120.163 119.800 -0.081 0.000 2.217 211 Q HA -0.127 4.213 4.340 -0.000 0.000 0.209 211 Q C 1.622 177.564 176.000 -0.096 0.000 0.988 211 Q CA 1.718 57.479 55.803 -0.070 0.000 0.878 211 Q CB -0.494 28.218 28.738 -0.043 0.000 0.909 211 Q HN 0.532 nan 8.270 nan 0.000 0.424 212 L N 0.637 121.832 121.223 -0.047 0.000 2.249 212 L HA 0.035 4.375 4.340 -0.000 0.000 0.207 212 L C 2.328 179.080 176.870 -0.197 0.000 1.090 212 L CA 1.298 56.050 54.840 -0.147 0.000 0.802 212 L CB -1.062 40.991 42.059 -0.010 0.000 0.947 212 L HN 0.352 nan 8.230 nan 0.000 0.453 213 S N 0.257 116.080 115.700 0.205 0.000 2.370 213 S HA -0.146 4.324 4.470 -0.000 0.000 0.226 213 S C 2.010 176.607 174.600 -0.006 0.000 1.033 213 S CA 1.122 59.620 58.200 0.496 0.000 1.011 213 S CB -1.016 62.803 63.200 1.032 0.000 0.852 213 S HN 0.145 nan 8.310 nan 0.000 0.457 214 V N 2.455 122.282 119.914 -0.145 0.000 2.232 214 V HA -0.211 3.909 4.120 -0.000 0.000 0.241 214 V C 2.757 178.696 176.094 -0.258 0.000 1.036 214 V CA 2.344 64.489 62.300 -0.258 0.000 0.993 214 V CB -0.957 30.732 31.823 -0.223 0.000 0.639 214 V HN 0.374 nan 8.190 nan 0.000 0.459 215 E N -0.614 119.440 120.200 -0.244 0.000 2.208 215 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 215 E C 2.068 178.493 176.600 -0.292 0.000 0.988 215 E CA 0.830 57.097 56.400 -0.223 0.000 0.828 215 E CB -0.270 29.336 29.700 -0.157 0.000 0.763 215 E HN 0.471 nan 8.360 nan 0.000 0.478 216 K N -1.393 118.725 120.400 -0.471 0.000 2.032 216 K HA -0.113 4.207 4.320 -0.000 0.000 0.209 216 K C 1.284 177.549 176.600 -0.558 0.000 1.048 216 K CA 1.710 57.598 56.287 -0.665 0.000 0.927 216 K CB -0.063 31.699 32.500 -1.229 0.000 0.712 216 K HN 0.248 nan 8.250 nan 0.000 0.441 217 G N -2.635 105.837 108.800 -0.545 0.000 2.650 217 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.193 217 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.193 217 G C -0.165 174.747 174.900 0.020 0.000 2.403 217 G CA 0.009 44.980 45.100 -0.216 0.000 1.493 217 G HN 0.162 nan 8.290 nan 0.000 0.459 218 W N -0.237 121.114 121.300 0.085 0.000 2.023 218 W HA -0.202 4.458 4.660 -0.000 0.000 0.320 218 W C 1.041 177.657 176.519 0.162 0.000 1.838 218 W CA 2.251 59.662 57.345 0.110 0.000 2.097 218 W CB -1.876 27.640 29.460 0.093 0.000 0.931 218 W HN 1.530 nan 8.180 nan 0.000 0.456 219 L N -2.063 119.503 121.223 0.571 0.000 2.053 219 L HA -0.113 4.227 4.340 -0.000 0.000 0.572 219 L C -2.259 174.814 176.870 0.340 0.000 1.000 219 L CA -0.351 54.788 54.840 0.498 0.000 1.241 219 L CB -1.737 40.540 42.059 0.363 0.000 1.982 219 L HN -0.104 nan 8.230 nan 0.000 1.021 220 P HA 0.223 nan 4.420 nan 0.000 0.271 220 P C 0.294 177.750 177.300 0.259 0.000 1.218 220 P CA -0.438 62.800 63.100 0.229 0.000 0.780 220 P CB 0.850 32.811 31.700 0.435 0.000 0.901 221 L N 3.523 124.832 121.223 0.143 0.000 2.496 221 L HA 0.429 4.769 4.340 -0.000 0.000 0.189 221 L C 0.003 177.145 176.870 0.453 0.000 1.308 221 L CA 0.951 55.956 54.840 0.274 0.000 0.912 221 L CB -0.834 41.374 42.059 0.250 0.000 1.148 221 L HN 0.359 nan 8.230 nan 0.000 0.537 222 F N 0.744 120.884 119.950 0.317 0.000 2.189 222 F HA -0.100 4.427 4.527 0.000 0.000 0.524 222 F C -0.386 175.584 175.800 0.284 0.000 1.289 222 F CA -0.487 57.684 58.000 0.285 0.000 1.678 222 F CB -1.170 37.968 39.000 0.231 0.000 2.675 222 F HN 0.330 nan 8.300 nan 0.000 0.724 223 D N 2.981 123.657 120.400 0.460 0.000 2.277 223 D HA 0.368 5.008 4.640 -0.000 0.000 0.249 223 D C -0.518 175.991 176.300 0.349 0.000 1.134 223 D CA 0.271 54.502 54.000 0.385 0.000 0.863 223 D CB 0.421 41.443 40.800 0.369 0.000 1.143 223 D HN 0.325 nan 8.370 nan 0.000 0.458 224 F N 3.147 123.221 119.950 0.206 0.000 2.542 224 F HA 0.484 5.011 4.527 0.000 0.000 0.323 224 F C 0.045 175.840 175.800 -0.009 0.000 1.411 224 F CA -0.751 57.326 58.000 0.128 0.000 1.124 224 F CB 0.623 39.671 39.000 0.079 0.000 1.331 224 F HN 0.465 nan 8.300 nan 0.000 0.560 225 A N 0.147 123.068 122.820 0.169 0.000 2.261 225 A HA 0.546 4.866 4.320 -0.000 0.000 0.323 225 A C 0.170 177.752 177.584 -0.002 0.000 1.107 225 A CA -0.207 51.748 52.037 -0.138 0.000 0.883 225 A CB 0.326 19.036 19.000 -0.483 0.000 1.251 225 A HN 0.789 nan 8.150 nan 0.000 0.502 226 Y N -2.289 118.108 120.300 0.162 0.000 4.138 226 Y HA -0.308 4.242 4.550 -0.000 0.000 0.347 226 Y C 1.238 177.324 175.900 0.310 0.000 1.116 226 Y CA 1.149 59.422 58.100 0.289 0.000 2.132 226 Y CB -1.209 37.456 38.460 0.342 0.000 0.967 226 Y HN 0.777 nan 8.280 nan 0.000 0.470 227 Q N 2.027 122.082 119.800 0.424 0.000 2.492 227 Q HA -0.032 4.308 4.340 -0.000 0.000 0.366 227 Q C 1.242 177.362 176.000 0.200 0.000 1.172 227 Q CA 1.648 57.633 55.803 0.303 0.000 1.089 227 Q CB 0.385 28.983 28.738 -0.234 0.000 1.174 227 Q HN 0.702 nan 8.270 nan 0.000 0.421 228 G N 4.068 112.979 108.800 0.185 0.000 2.359 228 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.278 228 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.278 228 G C -0.163 174.840 174.900 0.171 0.000 0.872 228 G CA 0.740 45.917 45.100 0.129 0.000 1.185 228 G HN 0.687 nan 8.290 nan 0.000 0.474 229 F N -0.901 119.061 119.950 0.019 0.000 2.953 229 F HA 0.506 5.033 4.527 -0.000 0.000 0.382 229 F C 1.514 177.295 175.800 -0.031 0.000 0.965 229 F CA 0.408 58.389 58.000 -0.031 0.000 1.081 229 F CB 0.063 39.084 39.000 0.034 0.000 1.132 229 F HN 0.403 nan 8.300 nan 0.000 0.567 230 A N -0.065 122.780 122.820 0.042 0.000 2.538 230 A HA 0.531 4.851 4.320 -0.000 0.000 0.269 230 A C 1.196 178.784 177.584 0.007 0.000 1.231 230 A CA -0.057 51.953 52.037 -0.044 0.000 0.948 230 A CB 0.121 19.159 19.000 0.063 0.000 1.110 230 A HN 0.129 nan 8.150 nan 0.000 0.529 231 R N -1.907 118.609 120.500 0.027 0.000 2.395 231 R HA 0.136 4.476 4.340 -0.000 0.000 0.280 231 R C 0.925 177.237 176.300 0.021 0.000 0.742 231 R CA 0.756 56.877 56.100 0.036 0.000 0.969 231 R CB 0.077 30.435 30.300 0.097 0.000 1.679 231 R HN 0.963 nan 8.270 nan 0.000 0.480 232 G N 1.536 110.336 108.800 -0.002 0.000 2.179 232 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.260 232 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.260 232 G C 0.619 175.518 174.900 -0.003 0.000 0.977 232 G CA 0.650 45.743 45.100 -0.011 0.000 0.641 232 G HN 0.295 nan 8.290 nan 0.000 0.533 233 L N -3.015 118.219 121.223 0.018 0.000 2.365 233 L HA -0.215 4.125 4.340 -0.000 0.000 0.460 233 L C 1.688 178.571 176.870 0.021 0.000 0.704 233 L CA 3.454 58.305 54.840 0.018 0.000 3.226 233 L CB -1.491 40.569 42.059 0.000 0.000 0.636 233 L HN 0.481 nan 8.230 nan 0.000 0.771 234 E N -0.071 120.143 120.200 0.023 0.000 2.021 234 E HA -0.109 4.241 4.350 -0.000 0.000 0.191 234 E C 1.521 178.150 176.600 0.048 0.000 0.971 234 E CA 0.935 57.351 56.400 0.026 0.000 0.825 234 E CB -0.247 29.463 29.700 0.018 0.000 0.788 234 E HN 0.700 nan 8.360 nan 0.000 0.460 235 E N 1.434 121.669 120.200 0.059 0.000 2.301 235 E HA -0.327 4.023 4.350 -0.000 0.000 0.202 235 E C 1.266 177.937 176.600 0.117 0.000 1.017 235 E CA 1.587 58.036 56.400 0.082 0.000 0.831 235 E CB -0.087 29.667 29.700 0.090 0.000 0.742 235 E HN 0.112 nan 8.360 nan 0.000 0.491 236 D N 0.773 121.257 120.400 0.139 0.000 2.182 236 D HA -0.164 4.476 4.640 -0.000 0.000 0.193 236 D C 1.338 177.804 176.300 0.278 0.000 0.999 236 D CA 2.241 56.391 54.000 0.250 0.000 0.850 236 D CB -0.512 40.440 40.800 0.254 0.000 0.994 236 D HN 0.351 nan 8.370 nan 0.000 0.450 237 A N -0.011 122.860 122.820 0.086 0.000 2.346 237 A HA 0.047 4.367 4.320 -0.000 0.000 0.242 237 A C 1.503 179.087 177.584 0.001 0.000 1.323 237 A CA 0.325 52.361 52.037 -0.002 0.000 0.940 237 A CB -0.304 18.591 19.000 -0.174 0.000 0.943 237 A HN 0.253 nan 8.150 nan 0.000 0.501 238 E N -0.758 119.459 120.200 0.027 0.000 2.134 238 E HA 0.059 4.409 4.350 -0.000 0.000 0.194 238 E C 2.239 178.806 176.600 -0.055 0.000 0.937 238 E CA 0.377 56.788 56.400 0.019 0.000 0.874 238 E CB -0.336 29.394 29.700 0.050 0.000 0.853 238 E HN 0.510 nan 8.360 nan 0.000 0.471 239 G N 3.143 111.900 108.800 -0.072 0.000 2.703 239 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.222 239 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.222 239 G C 1.497 175.953 174.900 -0.739 0.000 1.183 239 G CA 1.373 46.224 45.100 -0.416 0.000 0.775 239 G HN 0.226 nan 8.290 nan 0.000 0.615 240 L N 0.620 121.625 121.223 -0.363 0.000 2.023 240 L HA 0.056 4.396 4.340 -0.000 0.000 0.205 240 L C 2.952 179.732 176.870 -0.150 0.000 1.073 240 L CA 2.291 56.889 54.840 -0.404 0.000 0.745 240 L CB -0.677 41.203 42.059 -0.298 0.000 0.900 240 L HN 0.419 nan 8.230 nan 0.000 0.435 241 R N 0.969 121.443 120.500 -0.044 0.000 2.094 241 R HA -0.191 4.149 4.340 -0.000 0.000 0.239 241 R C 2.261 178.621 176.300 0.099 0.000 1.137 241 R CA 2.160 58.295 56.100 0.058 0.000 0.943 241 R CB -0.916 29.417 30.300 0.056 0.000 0.850 241 R HN 0.447 nan 8.270 nan 0.000 0.433 242 A N 0.093 122.969 122.820 0.093 0.000 1.940 242 A HA -0.210 4.110 4.320 -0.000 0.000 0.221 242 A C 1.856 179.572 177.584 0.220 0.000 1.190 242 A CA 1.726 53.853 52.037 0.149 0.000 0.647 242 A CB -0.860 18.236 19.000 0.159 0.000 0.821 242 A HN 0.518 nan 8.150 nan 0.000 0.457 243 F N -1.145 118.822 119.950 0.028 0.000 2.693 243 F HA 0.405 4.932 4.527 -0.000 0.000 0.303 243 F C 1.891 177.768 175.800 0.129 0.000 1.143 243 F CA 0.177 58.249 58.000 0.119 0.000 1.389 243 F CB 0.133 39.195 39.000 0.102 0.000 1.060 243 F HN 0.272 nan 8.300 nan 0.000 0.535 244 A N -0.918 122.031 122.820 0.215 0.000 2.070 244 A HA 0.526 4.846 4.320 -0.000 0.000 0.202 244 A C 1.861 179.512 177.584 0.111 0.000 1.277 244 A CA 0.663 52.797 52.037 0.162 0.000 0.872 244 A CB -0.389 18.702 19.000 0.152 0.000 0.933 244 A HN 0.104 nan 8.150 nan 0.000 0.475 245 A N -1.277 121.596 122.820 0.089 0.000 2.379 245 A HA 0.467 4.787 4.320 -0.000 0.000 0.236 245 A C 1.564 179.181 177.584 0.055 0.000 1.272 245 A CA 0.320 52.390 52.037 0.055 0.000 0.886 245 A CB -0.248 18.774 19.000 0.038 0.000 0.962 245 A HN 0.338 nan 8.150 nan 0.000 0.504 246 M N -1.242 118.408 119.600 0.084 0.000 2.718 246 M HA 0.174 4.654 4.480 -0.000 0.000 0.259 246 M C 1.486 177.849 176.300 0.105 0.000 1.240 246 M CA 1.096 56.437 55.300 0.069 0.000 1.210 246 M CB -0.949 31.675 32.600 0.039 0.000 1.281 246 M HN 0.613 nan 8.290 nan 0.000 0.515 247 H N 0.062 119.154 119.070 0.037 0.000 4.157 247 H HA -0.064 4.492 4.556 -0.000 0.000 0.270 247 H C 0.942 176.304 175.328 0.056 0.000 1.125 247 H CA 1.350 57.440 56.048 0.069 0.000 1.099 247 H CB 0.599 30.455 29.762 0.157 0.000 1.985 247 H HN 0.065 nan 8.280 nan 0.000 1.251 248 K N -1.827 118.719 120.400 0.243 0.000 1.335 248 K HA 0.025 4.345 4.320 -0.000 0.000 0.085 248 K C -0.860 175.850 176.600 0.183 0.000 2.442 248 K CA 0.177 56.544 56.287 0.132 0.000 1.048 248 K CB 0.352 32.886 32.500 0.057 0.000 2.722 248 K HN 0.306 nan 8.250 nan 0.000 0.345 249 E N 0.633 121.016 120.200 0.305 0.000 2.292 249 E HA 0.640 4.990 4.350 -0.000 0.000 0.272 249 E C -1.610 175.229 176.600 0.398 0.000 0.881 249 E CA -0.816 55.766 56.400 0.303 0.000 0.754 249 E CB 2.447 32.305 29.700 0.264 0.000 1.201 249 E HN 0.167 nan 8.360 nan 0.000 0.425 250 L N -0.214 121.192 121.223 0.306 0.000 2.869 250 L HA 0.682 5.022 4.340 -0.000 0.000 0.265 250 L C -1.445 175.615 176.870 0.317 0.000 1.011 250 L CA -1.072 53.961 54.840 0.322 0.000 0.913 250 L CB 1.215 43.457 42.059 0.304 0.000 1.490 250 L HN 0.595 nan 8.230 nan 0.000 0.410 251 I N 1.055 121.843 120.570 0.362 0.000 2.531 251 I HA 0.724 4.894 4.170 -0.000 0.000 0.283 251 I C -1.671 174.679 176.117 0.388 0.000 1.083 251 I CA -0.611 60.894 61.300 0.343 0.000 1.071 251 I CB 1.704 39.911 38.000 0.344 0.000 1.210 251 I HN 0.661 nan 8.210 nan 0.000 0.450 252 V N 7.314 127.430 119.914 0.336 0.000 2.435 252 V HA 0.930 5.050 4.120 -0.000 0.000 0.290 252 V C -0.065 176.181 176.094 0.255 0.000 1.030 252 V CA 0.172 62.660 62.300 0.313 0.000 0.881 252 V CB 1.439 33.368 31.823 0.178 0.000 0.983 252 V HN 0.920 nan 8.190 nan 0.000 0.445 253 A N 5.250 128.240 122.820 0.284 0.000 2.318 253 A HA 0.902 5.222 4.320 -0.000 0.000 0.317 253 A C -0.180 177.521 177.584 0.195 0.000 1.159 253 A CA -0.435 51.736 52.037 0.224 0.000 0.799 253 A CB 1.475 20.614 19.000 0.231 0.000 1.194 253 A HN 1.036 nan 8.150 nan 0.000 0.479 254 S N 0.602 116.375 115.700 0.121 0.000 2.671 254 S HA 0.889 5.359 4.470 -0.000 0.000 0.299 254 S C -0.357 174.259 174.600 0.027 0.000 1.116 254 S CA -0.433 57.790 58.200 0.039 0.000 0.912 254 S CB 1.729 64.882 63.200 -0.078 0.000 1.130 254 S HN 1.781 nan 8.310 nan 0.000 0.501 255 S N 0.078 115.731 115.700 -0.079 0.000 2.584 255 S HA 0.327 4.797 4.470 -0.000 0.000 0.282 255 S C -1.154 173.358 174.600 -0.148 0.000 1.138 255 S CA -0.657 57.517 58.200 -0.043 0.000 0.987 255 S CB -0.056 63.111 63.200 -0.056 0.000 1.137 255 S HN 0.596 nan 8.310 nan 0.000 0.457 256 Y N 2.593 122.856 120.300 -0.061 0.000 2.578 256 Y HA 0.200 4.750 4.550 0.000 0.000 0.297 256 Y C 1.356 177.211 175.900 -0.076 0.000 1.176 256 Y CA 0.171 58.227 58.100 -0.074 0.000 1.315 256 Y CB 0.253 38.480 38.460 -0.388 0.000 1.031 256 Y HN 0.634 nan 8.280 nan 0.000 0.524 257 S N 0.737 116.448 115.700 0.017 0.000 3.072 257 S HA 0.511 4.981 4.470 -0.000 0.000 0.306 257 S C 0.766 175.353 174.600 -0.021 0.000 1.207 257 S CA 0.327 58.504 58.200 -0.038 0.000 1.008 257 S CB -0.013 63.301 63.200 0.190 0.000 1.390 257 S HN 0.531 nan 8.310 nan 0.000 0.523 258 A N 3.288 125.954 122.820 -0.256 0.000 3.565 258 A HA -0.103 4.217 4.320 -0.000 0.000 0.131 258 A C 1.470 178.765 177.584 -0.481 0.000 1.299 258 A CA 0.133 52.064 52.037 -0.177 0.000 1.184 258 A CB -1.043 17.854 19.000 -0.172 0.000 0.831 258 A HN 0.598 nan 8.150 nan 0.000 0.398 259 N N -0.037 118.380 118.700 -0.471 0.000 2.585 259 N HA -0.038 4.702 4.740 -0.000 0.000 0.188 259 N C 0.920 176.457 175.510 0.044 0.000 1.102 259 N CA 1.972 54.790 53.050 -0.387 0.000 0.920 259 N CB -0.227 38.162 38.487 -0.164 0.000 0.963 259 N HN 0.581 nan 8.380 nan 0.000 0.447 260 F N -0.894 119.009 119.950 -0.078 0.000 2.880 260 F HA 0.317 4.844 4.527 -0.000 0.000 0.346 260 F C 1.191 176.967 175.800 -0.039 0.000 1.054 260 F CA 0.394 58.482 58.000 0.147 0.000 1.151 260 F CB 0.707 39.834 39.000 0.211 0.000 1.066 260 F HN 0.095 nan 8.300 nan 0.000 0.566 261 G N 1.613 110.363 108.800 -0.082 0.000 2.326 261 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.286 261 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.286 261 G C 0.212 174.977 174.900 -0.225 0.000 1.096 261 G CA 0.384 45.364 45.100 -0.201 0.000 1.003 261 G HN 0.232 nan 8.290 nan 0.000 0.503 262 L N -1.091 119.862 121.223 -0.449 0.000 2.840 262 L HA 0.328 4.668 4.340 -0.000 0.000 0.249 262 L C 2.168 178.909 176.870 -0.216 0.000 1.119 262 L CA -0.072 54.601 54.840 -0.279 0.000 0.930 262 L CB -0.979 40.986 42.059 -0.156 0.000 1.295 262 L HN 0.547 nan 8.230 nan 0.000 0.534 263 Y N -0.025 120.285 120.300 0.018 0.000 2.436 263 Y HA -0.310 4.240 4.550 0.000 0.000 0.397 263 Y C 2.243 178.147 175.900 0.006 0.000 0.676 263 Y CA 0.907 59.008 58.100 0.002 0.000 1.679 263 Y CB -1.004 37.466 38.460 0.016 0.000 1.346 263 Y HN 0.189 nan 8.280 nan 0.000 0.763 264 N N -0.195 118.660 118.700 0.258 0.000 2.277 264 N HA -0.300 4.440 4.740 -0.000 0.000 0.218 264 N C -0.531 175.023 175.510 0.074 0.000 0.498 264 N CA 2.277 55.407 53.050 0.135 0.000 3.895 264 N CB -1.280 37.297 38.487 0.149 0.000 0.804 264 N HN 0.779 nan 8.380 nan 0.000 0.289 265 E N 2.047 122.287 120.200 0.066 0.000 2.070 265 E HA 0.217 4.567 4.350 -0.000 0.000 0.261 265 E C -0.386 176.203 176.600 -0.019 0.000 0.926 265 E CA -0.568 55.849 56.400 0.027 0.000 0.760 265 E CB 0.573 30.320 29.700 0.078 0.000 1.133 265 E HN 0.248 nan 8.360 nan 0.000 0.420 266 R N 1.776 122.249 120.500 -0.045 0.000 2.633 266 R HA 0.083 4.423 4.340 -0.000 0.000 0.357 266 R C -0.127 176.091 176.300 -0.135 0.000 0.923 266 R CA -0.028 56.027 56.100 -0.074 0.000 1.046 266 R CB -0.297 29.937 30.300 -0.110 0.000 0.924 266 R HN 0.315 nan 8.270 nan 0.000 0.413 267 V N 1.824 121.679 119.914 -0.099 0.000 2.638 267 V HA 0.816 4.936 4.120 -0.000 0.000 0.306 267 V C 0.125 176.273 176.094 0.090 0.000 1.052 267 V CA 0.314 62.538 62.300 -0.127 0.000 0.885 267 V CB 1.799 33.475 31.823 -0.245 0.000 0.999 267 V HN 1.003 nan 8.190 nan 0.000 0.424 268 G N 4.144 113.068 108.800 0.208 0.000 2.367 268 G HA2 0.787 4.747 3.960 -0.000 0.000 0.272 268 G HA3 0.787 4.747 3.960 -0.000 0.000 0.272 268 G C -0.848 174.350 174.900 0.496 0.000 1.271 268 G CA 0.138 45.553 45.100 0.525 0.000 0.893 268 G HN 2.008 nan 8.290 nan 0.000 0.485 269 A N -2.148 120.894 122.820 0.370 0.000 2.567 269 A HA 0.650 4.970 4.320 -0.000 0.000 0.291 269 A C -1.111 176.597 177.584 0.208 0.000 1.048 269 A CA 0.276 52.504 52.037 0.319 0.000 0.661 269 A CB 1.010 20.340 19.000 0.550 0.000 1.288 269 A HN 2.313 nan 8.150 nan 0.000 0.424 270 C N 1.482 120.897 119.300 0.191 0.000 2.273 270 C HA 0.842 5.302 4.460 -0.000 0.000 0.328 270 C C 0.570 175.671 174.990 0.184 0.000 1.275 270 C CA 0.545 59.661 59.018 0.164 0.000 1.704 270 C CB -0.258 27.555 27.740 0.121 0.000 2.326 270 C HN 1.239 nan 8.230 nan 0.000 0.517 271 T N 6.568 121.241 114.554 0.198 0.000 2.792 271 T HA 0.531 4.881 4.350 -0.000 0.000 0.280 271 T C -0.820 174.033 174.700 0.254 0.000 0.990 271 T CA -0.482 61.771 62.100 0.254 0.000 0.960 271 T CB 0.816 69.841 68.868 0.262 0.000 0.939 271 T HN 0.793 nan 8.240 nan 0.000 0.439 272 L N 5.753 127.124 121.223 0.246 0.000 2.343 272 L HA 0.916 5.256 4.340 -0.000 0.000 0.275 272 L C -0.728 176.245 176.870 0.172 0.000 1.056 272 L CA -0.533 54.413 54.840 0.176 0.000 0.804 272 L CB 1.517 43.654 42.059 0.130 0.000 1.203 272 L HN 0.644 nan 8.230 nan 0.000 0.440 273 V N 3.988 123.979 119.914 0.128 0.000 3.048 273 V HA 0.984 5.104 4.120 -0.000 0.000 0.303 273 V C -1.235 174.902 176.094 0.073 0.000 1.214 273 V CA 0.429 62.754 62.300 0.042 0.000 0.984 273 V CB 1.715 33.517 31.823 -0.035 0.000 1.054 273 V HN 1.209 nan 8.190 nan 0.000 0.430 274 A N 3.942 126.785 122.820 0.037 0.000 2.534 274 A HA 0.991 5.311 4.320 -0.000 0.000 0.300 274 A C 0.648 178.247 177.584 0.025 0.000 1.223 274 A CA 0.047 52.121 52.037 0.062 0.000 0.666 274 A CB 0.821 19.868 19.000 0.079 0.000 1.316 274 A HN 2.187 nan 8.150 nan 0.000 0.468 275 A N -0.854 121.987 122.820 0.035 0.000 1.984 275 A HA 0.337 4.657 4.320 -0.000 0.000 0.214 275 A C 0.006 177.596 177.584 0.010 0.000 1.173 275 A CA 1.119 53.167 52.037 0.018 0.000 0.673 275 A CB -0.173 18.842 19.000 0.025 0.000 0.830 275 A HN 0.631 nan 8.150 nan 0.000 0.453 276 D N -0.574 119.838 120.400 0.020 0.000 2.233 276 D HA 0.335 4.975 4.640 -0.000 0.000 0.240 276 D C 0.341 176.647 176.300 0.010 0.000 1.074 276 D CA -0.106 53.903 54.000 0.015 0.000 0.838 276 D CB 1.695 42.510 40.800 0.025 0.000 1.124 276 D HN -0.003 nan 8.370 nan 0.000 0.475 277 S N 1.116 116.815 115.700 -0.002 0.000 2.547 277 S HA -0.132 4.338 4.470 -0.000 0.000 0.235 277 S C 1.450 176.052 174.600 0.003 0.000 0.980 277 S CA 0.686 58.879 58.200 -0.011 0.000 0.941 277 S CB 0.149 63.335 63.200 -0.023 0.000 0.763 277 S HN 0.392 nan 8.310 nan 0.000 0.532 278 E N 0.869 121.077 120.200 0.013 0.000 2.030 278 E HA -0.061 4.289 4.350 -0.000 0.000 0.189 278 E C 1.754 178.379 176.600 0.040 0.000 0.974 278 E CA 1.347 57.761 56.400 0.023 0.000 0.807 278 E CB -0.596 29.117 29.700 0.023 0.000 0.771 278 E HN 0.423 nan 8.360 nan 0.000 0.451 279 T N 1.007 115.590 114.554 0.047 0.000 2.849 279 T HA -0.134 4.216 4.350 -0.000 0.000 0.270 279 T C 1.741 176.495 174.700 0.090 0.000 1.066 279 T CA 1.377 63.519 62.100 0.070 0.000 1.130 279 T CB -0.145 68.765 68.868 0.070 0.000 0.864 279 T HN 0.133 nan 8.240 nan 0.000 0.481 280 V N 0.428 120.385 119.914 0.071 0.000 3.471 280 V HA 0.067 4.187 4.120 -0.000 0.000 0.258 280 V C 1.495 177.643 176.094 0.090 0.000 1.192 280 V CA 0.822 63.174 62.300 0.086 0.000 1.116 280 V CB -0.080 31.780 31.823 0.062 0.000 0.792 280 V HN 0.172 nan 8.190 nan 0.000 0.459 281 D N 0.348 120.780 120.400 0.054 0.000 2.183 281 D HA -0.070 4.570 4.640 -0.000 0.000 0.203 281 D C 2.164 178.533 176.300 0.115 0.000 0.969 281 D CA 0.708 54.735 54.000 0.045 0.000 0.842 281 D CB 0.081 40.893 40.800 0.021 0.000 0.957 281 D HN 0.283 nan 8.370 nan 0.000 0.484 282 R N 1.210 121.778 120.500 0.114 0.000 2.056 282 R HA 0.089 4.429 4.340 -0.000 0.000 0.227 282 R C 2.057 178.451 176.300 0.157 0.000 1.149 282 R CA 1.629 57.801 56.100 0.121 0.000 0.937 282 R CB -1.091 29.270 30.300 0.101 0.000 0.835 282 R HN 0.051 nan 8.270 nan 0.000 0.430 283 A N -0.656 122.270 122.820 0.176 0.000 1.972 283 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 283 A C 2.275 179.898 177.584 0.066 0.000 1.169 283 A CA 1.340 53.508 52.037 0.218 0.000 0.635 283 A CB -0.796 18.346 19.000 0.237 0.000 0.810 283 A HN 0.430 nan 8.150 nan 0.000 0.446 284 F N 1.576 121.484 119.950 -0.068 0.000 2.146 284 F HA -0.202 4.325 4.527 0.000 0.000 0.298 284 F C 2.858 178.640 175.800 -0.030 0.000 1.096 284 F CA 1.958 59.897 58.000 -0.103 0.000 1.275 284 F CB -0.111 38.850 39.000 -0.065 0.000 1.008 284 F HN 0.353 nan 8.300 nan 0.000 0.480 285 S N -0.581 115.255 115.700 0.226 0.000 2.400 285 S HA -0.310 4.160 4.470 -0.000 0.000 0.232 285 S C 1.902 176.552 174.600 0.083 0.000 1.025 285 S CA 1.660 59.954 58.200 0.158 0.000 0.993 285 S CB -0.637 62.642 63.200 0.132 0.000 0.808 285 S HN 0.634 nan 8.310 nan 0.000 0.478 286 Q N 0.185 120.038 119.800 0.088 0.000 2.165 286 Q HA 0.248 4.588 4.340 -0.000 0.000 0.197 286 Q C 2.252 178.297 176.000 0.076 0.000 0.952 286 Q CA 0.963 56.829 55.803 0.105 0.000 0.848 286 Q CB -0.218 28.623 28.738 0.172 0.000 0.931 286 Q HN 0.717 nan 8.270 nan 0.000 0.470 287 M N 0.685 120.279 119.600 -0.009 0.000 2.106 287 M HA -0.216 4.264 4.480 -0.000 0.000 0.259 287 M C 0.876 177.044 176.300 -0.220 0.000 1.068 287 M CA 1.618 56.804 55.300 -0.189 0.000 1.100 287 M CB 0.084 32.268 32.600 -0.694 0.000 1.351 287 M HN -0.063 nan 8.290 nan 0.000 0.404 288 K N 0.041 120.308 120.400 -0.222 0.000 2.616 288 K HA -0.009 4.311 4.320 -0.000 0.000 0.192 288 K C 1.257 177.822 176.600 -0.058 0.000 1.031 288 K CA 0.750 56.965 56.287 -0.120 0.000 1.004 288 K CB -0.213 32.296 32.500 0.015 0.000 0.810 288 K HN 0.490 nan 8.250 nan 0.000 0.497 289 A N 0.713 123.504 122.820 -0.049 0.000 2.192 289 A HA 0.333 4.653 4.320 -0.000 0.000 0.208 289 A C 2.232 179.783 177.584 -0.054 0.000 1.220 289 A CA 0.542 52.558 52.037 -0.034 0.000 0.900 289 A CB 0.034 19.032 19.000 -0.004 0.000 0.937 289 A HN 0.211 nan 8.150 nan 0.000 0.487 290 A N 1.290 124.082 122.820 -0.046 0.000 1.873 290 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 290 A C 1.991 179.486 177.584 -0.149 0.000 1.193 290 A CA 1.846 53.851 52.037 -0.053 0.000 0.629 290 A CB -0.685 18.318 19.000 0.005 0.000 0.826 290 A HN 0.448 nan 8.150 nan 0.000 0.447 291 I N -0.563 119.886 120.570 -0.200 0.000 2.099 291 I HA -0.255 3.915 4.170 -0.000 0.000 0.239 291 I C 2.500 178.402 176.117 -0.359 0.000 1.066 291 I CA 2.135 63.207 61.300 -0.379 0.000 1.324 291 I CB -1.526 36.358 38.000 -0.195 0.000 1.037 291 I HN 0.369 nan 8.210 nan 0.000 0.401 292 R N 1.582 121.975 120.500 -0.179 0.000 2.185 292 R HA -0.159 4.181 4.340 -0.000 0.000 0.247 292 R C 2.090 178.317 176.300 -0.121 0.000 1.159 292 R CA 1.782 57.810 56.100 -0.119 0.000 0.988 292 R CB -0.390 29.868 30.300 -0.070 0.000 0.871 292 R HN 0.472 nan 8.270 nan 0.000 0.458 293 A N -0.475 122.260 122.820 -0.141 0.000 1.887 293 A HA 0.057 4.377 4.320 -0.000 0.000 0.212 293 A C 1.359 178.853 177.584 -0.151 0.000 1.198 293 A CA 0.910 52.880 52.037 -0.111 0.000 0.628 293 A CB -0.450 18.501 19.000 -0.081 0.000 0.847 293 A HN 0.533 nan 8.150 nan 0.000 0.449 294 N N -0.711 117.830 118.700 -0.266 0.000 2.019 294 N HA -0.009 4.731 4.740 -0.000 0.000 0.182 294 N C 0.064 175.465 175.510 -0.181 0.000 1.142 294 N CA 1.250 54.130 53.050 -0.283 0.000 0.960 294 N CB -0.562 37.670 38.487 -0.424 0.000 1.003 294 N HN 0.572 nan 8.380 nan 0.000 0.417 295 Y N -0.135 120.167 120.300 0.004 0.000 2.346 295 Y HA 0.343 4.893 4.550 -0.000 0.000 0.330 295 Y C -0.288 175.617 175.900 0.007 0.000 1.178 295 Y CA -1.194 56.911 58.100 0.010 0.000 1.331 295 Y CB 0.409 38.873 38.460 0.008 0.000 1.253 295 Y HN 0.041 nan 8.280 nan 0.000 0.529 296 S N 3.861 119.641 115.700 0.134 0.000 3.170 296 S HA 0.339 4.809 4.470 -0.000 0.000 0.257 296 S C -0.953 173.727 174.600 0.134 0.000 1.284 296 S CA -0.481 57.751 58.200 0.053 0.000 0.973 296 S CB -1.423 61.772 63.200 -0.008 0.000 1.330 296 S HN 0.957 nan 8.310 nan 0.000 0.493 297 N N -0.301 118.541 118.700 0.236 0.000 4.218 297 N HA -0.106 4.634 4.740 -0.000 0.000 0.320 297 N C -3.389 172.232 175.510 0.186 0.000 2.219 297 N CA -0.742 52.431 53.050 0.205 0.000 2.794 297 N CB -1.576 36.995 38.487 0.139 0.000 0.342 297 N HN 0.298 nan 8.380 nan 0.000 0.582 298 P HA 0.122 nan 4.420 nan 0.000 0.266 298 P C -2.150 175.079 177.300 -0.118 0.000 1.193 298 P CA -0.577 62.457 63.100 -0.109 0.000 0.770 298 P CB -0.197 31.410 31.700 -0.154 0.000 0.836 299 P HA -0.009 nan 4.420 nan 0.000 0.235 299 P C 0.979 178.194 177.300 -0.141 0.000 1.670 299 P CA 0.264 63.278 63.100 -0.144 0.000 1.017 299 P CB -0.757 30.841 31.700 -0.169 0.000 1.945 300 A N 1.058 123.807 122.820 -0.118 0.000 2.054 300 A HA -0.313 4.007 4.320 -0.000 0.000 0.225 300 A C 2.144 179.668 177.584 -0.100 0.000 1.209 300 A CA 2.373 54.339 52.037 -0.118 0.000 0.678 300 A CB -1.715 17.249 19.000 -0.059 0.000 0.823 300 A HN 0.420 nan 8.150 nan 0.000 0.484 301 H N -0.575 118.404 119.070 -0.150 0.000 2.387 301 H HA -0.039 4.517 4.556 -0.000 0.000 0.299 301 H C 2.137 177.364 175.328 -0.168 0.000 1.099 301 H CA 1.990 57.958 56.048 -0.132 0.000 1.315 301 H CB -0.676 29.024 29.762 -0.104 0.000 1.380 301 H HN 0.348 nan 8.280 nan 0.000 0.513 302 G N -0.173 108.462 108.800 -0.275 0.000 2.434 302 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.214 302 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.214 302 G C 1.994 176.583 174.900 -0.518 0.000 1.202 302 G CA 1.134 45.989 45.100 -0.407 0.000 0.788 302 G HN 0.608 nan 8.290 nan 0.000 0.539 303 A N 0.847 123.315 122.820 -0.586 0.000 1.927 303 A HA -0.106 4.214 4.320 -0.000 0.000 0.220 303 A C 2.708 180.071 177.584 -0.369 0.000 1.185 303 A CA 2.617 54.215 52.037 -0.732 0.000 0.639 303 A CB -0.774 17.875 19.000 -0.584 0.000 0.820 303 A HN 0.345 nan 8.150 nan 0.000 0.451 304 S N -1.081 114.446 115.700 -0.288 0.000 2.368 304 S HA -0.097 4.373 4.470 -0.000 0.000 0.225 304 S C 1.612 176.112 174.600 -0.166 0.000 1.030 304 S CA 1.265 59.363 58.200 -0.170 0.000 0.999 304 S CB -0.381 62.748 63.200 -0.119 0.000 0.844 304 S HN 0.302 nan 8.310 nan 0.000 0.459 305 V N 1.227 120.984 119.914 -0.262 0.000 3.630 305 V HA 0.106 4.226 4.120 -0.000 0.000 0.273 305 V C 1.203 177.158 176.094 -0.232 0.000 1.248 305 V CA 0.735 62.899 62.300 -0.227 0.000 1.170 305 V CB 0.198 31.828 31.823 -0.321 0.000 0.899 305 V HN 0.301 nan 8.190 nan 0.000 0.457 306 V N -1.317 118.402 119.914 -0.325 0.000 3.473 306 V HA 0.279 4.399 4.120 -0.000 0.000 0.253 306 V C 2.148 178.074 176.094 -0.280 0.000 1.340 306 V CA 1.098 63.107 62.300 -0.486 0.000 1.103 306 V CB 0.840 32.111 31.823 -0.919 0.000 0.881 306 V HN 0.471 nan 8.190 nan 0.000 0.451 307 A N 0.004 122.724 122.820 -0.167 0.000 1.935 307 A HA -0.075 4.245 4.320 -0.000 0.000 0.214 307 A C 2.252 179.770 177.584 -0.110 0.000 1.178 307 A CA 2.109 54.083 52.037 -0.105 0.000 0.640 307 A CB -0.594 18.388 19.000 -0.029 0.000 0.825 307 A HN 0.443 nan 8.150 nan 0.000 0.447 308 T N 1.145 115.635 114.554 -0.107 0.000 2.643 308 T HA -0.122 4.228 4.350 -0.000 0.000 0.264 308 T C 1.829 176.447 174.700 -0.137 0.000 1.045 308 T CA 1.593 63.620 62.100 -0.122 0.000 1.155 308 T CB -0.382 68.427 68.868 -0.098 0.000 0.863 308 T HN 0.336 nan 8.240 nan 0.000 0.420 309 I N 0.974 121.473 120.570 -0.119 0.000 2.264 309 I HA -0.106 4.064 4.170 -0.000 0.000 0.248 309 I C 2.178 178.191 176.117 -0.174 0.000 1.111 309 I CA 1.271 62.490 61.300 -0.135 0.000 1.382 309 I CB -1.250 36.612 38.000 -0.230 0.000 1.060 309 I HN 0.205 nan 8.210 nan 0.000 0.418 310 L N 0.692 121.810 121.223 -0.174 0.000 2.291 310 L HA -0.051 4.289 4.340 -0.000 0.000 0.214 310 L C 2.003 178.805 176.870 -0.113 0.000 1.120 310 L CA 1.334 56.076 54.840 -0.164 0.000 0.799 310 L CB -0.869 41.089 42.059 -0.168 0.000 0.925 310 L HN 0.350 nan 8.230 nan 0.000 0.446 311 S N -1.686 113.951 115.700 -0.106 0.000 2.526 311 S HA 0.244 4.714 4.470 -0.000 0.000 0.245 311 S C 0.194 174.739 174.600 -0.092 0.000 1.103 311 S CA -0.604 57.545 58.200 -0.086 0.000 1.095 311 S CB -0.548 62.604 63.200 -0.081 0.000 0.826 311 S HN 0.407 nan 8.310 nan 0.000 0.468 312 N N 0.819 119.466 118.700 -0.088 0.000 2.572 312 N HA 0.141 4.881 4.740 -0.000 0.000 0.287 312 N C -0.820 174.658 175.510 -0.053 0.000 1.136 312 N CA -0.314 52.684 53.050 -0.087 0.000 0.900 312 N CB 1.634 40.048 38.487 -0.123 0.000 1.484 312 N HN 0.334 nan 8.380 nan 0.000 0.526 313 D N 1.928 122.304 120.400 -0.041 0.000 2.178 313 D HA -0.064 4.576 4.640 -0.000 0.000 0.202 313 D C 1.743 178.036 176.300 -0.013 0.000 0.974 313 D CA 0.685 54.673 54.000 -0.021 0.000 0.841 313 D CB 0.243 41.032 40.800 -0.019 0.000 0.953 313 D HN 0.418 nan 8.370 nan 0.000 0.478 314 A N 0.559 123.366 122.820 -0.023 0.000 1.854 314 A HA -0.029 4.291 4.320 -0.000 0.000 0.214 314 A C 2.029 179.607 177.584 -0.009 0.000 1.192 314 A CA 0.771 52.797 52.037 -0.018 0.000 0.611 314 A CB -0.704 18.279 19.000 -0.030 0.000 0.832 314 A HN 0.186 nan 8.150 nan 0.000 0.442 315 L N -0.558 120.652 121.223 -0.021 0.000 2.109 315 L HA 0.036 4.376 4.340 -0.000 0.000 0.207 315 L C 2.483 179.368 176.870 0.025 0.000 1.086 315 L CA 1.431 56.263 54.840 -0.012 0.000 0.760 315 L CB -0.905 41.120 42.059 -0.057 0.000 0.910 315 L HN 0.310 nan 8.230 nan 0.000 0.437 316 R N -0.817 119.692 120.500 0.014 0.000 2.148 316 R HA 0.016 4.356 4.340 -0.000 0.000 0.223 316 R C 1.895 178.270 176.300 0.125 0.000 1.088 316 R CA 1.033 57.171 56.100 0.063 0.000 0.985 316 R CB -0.043 30.267 30.300 0.016 0.000 0.880 316 R HN 0.346 nan 8.270 nan 0.000 0.451 317 A N 0.298 123.155 122.820 0.061 0.000 2.067 317 A HA 0.001 4.321 4.320 -0.000 0.000 0.217 317 A C 2.010 179.610 177.584 0.027 0.000 1.156 317 A CA 0.526 52.586 52.037 0.038 0.000 0.683 317 A CB -0.121 18.887 19.000 0.014 0.000 0.808 317 A HN 0.198 nan 8.150 nan 0.000 0.455 318 I N -2.837 117.760 120.570 0.044 0.000 2.235 318 I HA -0.148 4.022 4.170 -0.000 0.000 0.241 318 I C 2.356 178.486 176.117 0.022 0.000 1.085 318 I CA 1.040 62.356 61.300 0.027 0.000 1.378 318 I CB -0.516 37.503 38.000 0.032 0.000 1.076 318 I HN 0.591 nan 8.210 nan 0.000 0.415 319 W N 2.857 124.081 121.300 -0.127 0.000 2.333 319 W HA -0.226 4.434 4.660 -0.000 0.000 0.316 319 W C 2.428 178.827 176.519 -0.200 0.000 1.215 319 W CA 1.861 59.083 57.345 -0.206 0.000 1.278 319 W CB -0.184 29.101 29.460 -0.292 0.000 1.154 319 W HN 0.081 nan 8.180 nan 0.000 0.486 320 E N -0.553 119.615 120.200 -0.053 0.000 2.265 320 E HA -0.263 4.087 4.350 -0.000 0.000 0.196 320 E C 1.983 178.423 176.600 -0.266 0.000 0.996 320 E CA 0.966 57.218 56.400 -0.246 0.000 0.832 320 E CB -0.441 29.231 29.700 -0.047 0.000 0.756 320 E HN 0.457 nan 8.360 nan 0.000 0.491 321 Q N 0.775 120.465 119.800 -0.183 0.000 2.250 321 Q HA -0.104 4.236 4.340 -0.000 0.000 0.200 321 Q C 1.812 177.690 176.000 -0.203 0.000 0.941 321 Q CA 0.592 56.303 55.803 -0.153 0.000 0.872 321 Q CB 0.378 29.065 28.738 -0.085 0.000 0.965 321 Q HN 0.349 nan 8.270 nan 0.000 0.480 322 E N 0.709 120.752 120.200 -0.262 0.000 2.051 322 E HA -0.202 4.148 4.350 -0.000 0.000 0.192 322 E C 2.114 178.486 176.600 -0.379 0.000 0.991 322 E CA 0.728 56.962 56.400 -0.277 0.000 0.799 322 E CB -0.316 29.220 29.700 -0.273 0.000 0.748 322 E HN 0.186 nan 8.360 nan 0.000 0.449 323 L N 1.570 122.422 121.223 -0.619 0.000 2.017 323 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 323 L C 2.414 179.104 176.870 -0.300 0.000 1.073 323 L CA 1.947 56.441 54.840 -0.575 0.000 0.745 323 L CB -1.080 40.453 42.059 -0.877 0.000 0.894 323 L HN 0.063 nan 8.230 nan 0.000 0.432 324 T N -0.485 113.907 114.554 -0.271 0.000 2.699 324 T HA -0.204 4.146 4.350 -0.000 0.000 0.268 324 T C 1.472 176.102 174.700 -0.117 0.000 1.036 324 T CA 1.681 63.683 62.100 -0.163 0.000 1.147 324 T CB -0.293 68.490 68.868 -0.141 0.000 0.862 324 T HN 0.395 nan 8.240 nan 0.000 0.446 325 D N 0.535 120.864 120.400 -0.119 0.000 2.084 325 D HA -0.052 4.588 4.640 -0.000 0.000 0.194 325 D C 2.023 178.304 176.300 -0.032 0.000 0.990 325 D CA 0.918 54.881 54.000 -0.061 0.000 0.826 325 D CB -0.502 40.274 40.800 -0.040 0.000 0.971 325 D HN 0.291 nan 8.370 nan 0.000 0.453 326 M N 0.114 119.669 119.600 -0.075 0.000 2.116 326 M HA -0.280 4.200 4.480 -0.000 0.000 0.255 326 M C 2.079 178.316 176.300 -0.104 0.000 1.075 326 M CA 1.629 56.856 55.300 -0.122 0.000 1.087 326 M CB 0.133 32.558 32.600 -0.292 0.000 1.340 326 M HN -0.143 nan 8.290 nan 0.000 0.402 327 R N -0.449 119.980 120.500 -0.118 0.000 2.064 327 R HA -0.123 4.217 4.340 -0.000 0.000 0.228 327 R C 2.187 178.429 176.300 -0.097 0.000 1.144 327 R CA 1.574 57.582 56.100 -0.152 0.000 0.932 327 R CB -0.796 29.430 30.300 -0.123 0.000 0.833 327 R HN 0.394 nan 8.270 nan 0.000 0.429 328 Q N 0.747 120.509 119.800 -0.062 0.000 2.135 328 Q HA -0.312 4.028 4.340 -0.000 0.000 0.218 328 Q C 1.591 177.571 176.000 -0.033 0.000 1.058 328 Q CA 2.296 58.076 55.803 -0.040 0.000 0.926 328 Q CB -0.287 28.436 28.738 -0.025 0.000 1.065 328 Q HN 0.400 nan 8.270 nan 0.000 0.433 329 R N -0.562 119.934 120.500 -0.006 0.000 2.346 329 R HA 0.027 4.367 4.340 -0.000 0.000 0.199 329 R C 1.449 177.723 176.300 -0.042 0.000 1.015 329 R CA 0.382 56.480 56.100 -0.003 0.000 1.058 329 R CB 0.035 30.368 30.300 0.054 0.000 0.921 329 R HN 0.282 nan 8.270 nan 0.000 0.475 330 I N -0.728 119.788 120.570 -0.089 0.000 4.471 330 I HA -0.031 4.139 4.170 -0.000 0.000 0.326 330 I C 1.948 177.989 176.117 -0.126 0.000 1.300 330 I CA 0.337 61.549 61.300 -0.148 0.000 1.237 330 I CB 0.580 38.425 38.000 -0.260 0.000 1.195 330 I HN 0.007 nan 8.210 nan 0.000 0.427 331 Q N 0.124 119.865 119.800 -0.098 0.000 2.107 331 Q HA -0.075 4.265 4.340 -0.000 0.000 0.195 331 Q C 2.088 178.057 176.000 -0.052 0.000 0.964 331 Q CA 1.065 56.825 55.803 -0.073 0.000 0.833 331 Q CB 0.025 28.726 28.738 -0.062 0.000 0.910 331 Q HN 0.282 nan 8.270 nan 0.000 0.465 332 R N 0.666 121.139 120.500 -0.045 0.000 2.064 332 R HA -0.084 4.256 4.340 -0.000 0.000 0.228 332 R C 2.137 178.422 176.300 -0.025 0.000 1.144 332 R CA 1.616 57.699 56.100 -0.029 0.000 0.932 332 R CB -0.447 29.839 30.300 -0.023 0.000 0.833 332 R HN 0.078 nan 8.270 nan 0.000 0.429 333 M N 0.715 120.296 119.600 -0.031 0.000 2.144 333 M HA -0.163 4.317 4.480 -0.000 0.000 0.260 333 M C 2.390 178.682 176.300 -0.014 0.000 1.067 333 M CA 1.751 57.036 55.300 -0.025 0.000 1.095 333 M CB -0.875 31.695 32.600 -0.049 0.000 1.365 333 M HN 0.287 nan 8.290 nan 0.000 0.406 334 R N -0.059 120.413 120.500 -0.047 0.000 2.117 334 R HA -0.228 4.112 4.340 -0.000 0.000 0.243 334 R C 2.258 178.564 176.300 0.010 0.000 1.143 334 R CA 2.028 58.096 56.100 -0.053 0.000 0.968 334 R CB -0.255 29.992 30.300 -0.089 0.000 0.863 334 R HN 0.508 nan 8.270 nan 0.000 0.444 335 Q N -0.027 119.778 119.800 0.008 0.000 2.030 335 Q HA -0.219 4.121 4.340 -0.000 0.000 0.204 335 Q C 1.878 177.906 176.000 0.046 0.000 0.986 335 Q CA 1.457 57.274 55.803 0.022 0.000 0.843 335 Q CB -0.094 28.647 28.738 0.005 0.000 0.904 335 Q HN 0.254 nan 8.270 nan 0.000 0.420 336 L N 0.588 121.836 121.223 0.042 0.000 1.976 336 L HA -0.241 4.099 4.340 -0.000 0.000 0.223 336 L C 2.339 179.245 176.870 0.060 0.000 1.081 336 L CA 2.198 57.061 54.840 0.039 0.000 0.784 336 L CB -1.677 40.407 42.059 0.041 0.000 0.896 336 L HN 0.440 nan 8.230 nan 0.000 0.438 337 F N -0.192 119.728 119.950 -0.051 0.000 2.085 337 F HA -0.321 4.206 4.527 -0.000 0.000 0.299 337 F C 2.327 178.092 175.800 -0.058 0.000 1.096 337 F CA 2.263 60.233 58.000 -0.050 0.000 1.227 337 F CB -0.459 38.518 39.000 -0.039 0.000 0.983 337 F HN -0.057 nan 8.300 nan 0.000 0.482 338 V N 0.423 120.397 119.914 0.100 0.000 2.358 338 V HA -0.332 3.788 4.120 -0.000 0.000 0.246 338 V C 2.147 178.178 176.094 -0.105 0.000 1.047 338 V CA 2.292 64.580 62.300 -0.020 0.000 1.035 338 V CB -1.054 30.838 31.823 0.116 0.000 0.658 338 V HN 0.565 nan 8.190 nan 0.000 0.452 339 N N -0.300 118.358 118.700 -0.070 0.000 2.244 339 N HA -0.164 4.576 4.740 -0.000 0.000 0.183 339 N C 1.740 177.177 175.510 -0.121 0.000 1.016 339 N CA 1.556 54.561 53.050 -0.076 0.000 0.866 339 N CB -0.015 38.446 38.487 -0.043 0.000 0.980 339 N HN 0.502 nan 8.380 nan 0.000 0.430 340 T N 1.043 115.506 114.554 -0.151 0.000 2.684 340 T HA -0.143 4.207 4.350 -0.000 0.000 0.267 340 T C 1.797 176.347 174.700 -0.249 0.000 1.036 340 T CA 0.970 62.961 62.100 -0.182 0.000 1.148 340 T CB -0.318 68.451 68.868 -0.165 0.000 0.863 340 T HN 0.222 nan 8.240 nan 0.000 0.436 341 L N 0.788 121.788 121.223 -0.371 0.000 2.291 341 L HA -0.041 4.299 4.340 -0.000 0.000 0.214 341 L C 2.818 179.517 176.870 -0.286 0.000 1.120 341 L CA 1.029 55.608 54.840 -0.434 0.000 0.799 341 L CB -0.540 41.062 42.059 -0.762 0.000 0.925 341 L HN 0.359 nan 8.230 nan 0.000 0.446 342 Q N 0.525 120.205 119.800 -0.201 0.000 2.437 342 Q HA -0.167 4.173 4.340 -0.000 0.000 0.210 342 Q C 0.986 176.926 176.000 -0.098 0.000 0.972 342 Q CA 1.094 56.826 55.803 -0.118 0.000 0.903 342 Q CB 0.314 29.010 28.738 -0.070 0.000 0.967 342 Q HN 0.496 nan 8.270 nan 0.000 0.486 343 E N -1.200 118.929 120.200 -0.119 0.000 2.660 343 E HA 0.150 4.500 4.350 -0.000 0.000 0.216 343 E C -0.274 176.265 176.600 -0.101 0.000 0.986 343 E CA -0.147 56.196 56.400 -0.095 0.000 1.037 343 E CB 0.777 30.425 29.700 -0.087 0.000 1.041 343 E HN 0.040 nan 8.360 nan 0.000 0.480 344 K N -1.329 118.994 120.400 -0.128 0.000 1.736 344 K HA 0.197 4.517 4.320 -0.000 0.000 0.307 344 K C 1.162 177.676 176.600 -0.144 0.000 0.932 344 K CA 0.135 56.349 56.287 -0.121 0.000 0.437 344 K CB -0.914 31.510 32.500 -0.127 0.000 3.354 344 K HN 0.133 nan 8.250 nan 0.000 1.196 345 G N 1.562 110.249 108.800 -0.189 0.000 3.451 345 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.371 345 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.371 345 G C 0.357 175.174 174.900 -0.139 0.000 0.895 345 G CA 3.097 48.072 45.100 -0.208 0.000 0.744 345 G HN 1.570 nan 8.290 nan 0.000 1.227 346 A N -1.791 120.935 122.820 -0.158 0.000 3.040 346 A HA -0.078 4.242 4.320 -0.000 0.000 0.279 346 A C 0.666 178.233 177.584 -0.028 0.000 1.380 346 A CA 1.330 53.316 52.037 -0.085 0.000 0.734 346 A CB -1.635 17.323 19.000 -0.069 0.000 1.061 346 A HN 1.067 nan 8.150 nan 0.000 0.446 347 N N -0.404 118.296 118.700 -0.000 0.000 2.082 347 N HA 0.071 4.811 4.740 -0.000 0.000 0.228 347 N C 0.083 175.678 175.510 0.143 0.000 1.341 347 N CA 0.471 53.561 53.050 0.066 0.000 0.873 347 N CB 0.616 39.142 38.487 0.064 0.000 1.137 347 N HN 0.951 nan 8.380 nan 0.000 0.505 348 R N 0.248 120.863 120.500 0.193 0.000 2.765 348 R HA 0.060 4.400 4.340 -0.000 0.000 0.277 348 R C -1.981 174.531 176.300 0.354 0.000 1.028 348 R CA -0.579 55.697 56.100 0.292 0.000 0.860 348 R CB -0.058 30.444 30.300 0.337 0.000 1.270 348 R HN -0.189 nan 8.270 nan 0.000 0.484 349 D N 1.320 121.912 120.400 0.319 0.000 2.541 349 D HA 0.089 4.729 4.640 -0.000 0.000 0.231 349 D C -0.318 176.296 176.300 0.523 0.000 1.163 349 D CA -0.316 53.864 54.000 0.300 0.000 1.077 349 D CB -0.529 40.390 40.800 0.200 0.000 1.110 349 D HN 0.365 nan 8.370 nan 0.000 0.499 350 F N 1.286 121.404 119.950 0.280 0.000 2.754 350 F HA -0.012 4.515 4.527 -0.000 0.000 0.303 350 F C 2.308 178.195 175.800 0.145 0.000 1.196 350 F CA -0.047 58.173 58.000 0.367 0.000 1.416 350 F CB -0.839 38.263 39.000 0.171 0.000 1.092 350 F HN 0.288 nan 8.300 nan 0.000 0.541 351 S N 1.188 117.130 115.700 0.403 0.000 2.404 351 S HA -0.372 4.098 4.470 -0.000 0.000 0.230 351 S C 2.068 176.773 174.600 0.175 0.000 1.046 351 S CA 1.682 60.024 58.200 0.236 0.000 1.135 351 S CB -1.698 61.628 63.200 0.210 0.000 1.056 351 S HN 0.448 nan 8.310 nan 0.000 0.426 352 F N 3.899 123.914 119.950 0.108 0.000 2.133 352 F HA -0.400 4.127 4.527 0.000 0.000 0.285 352 F C 2.138 177.971 175.800 0.054 0.000 1.111 352 F CA 1.208 59.258 58.000 0.083 0.000 1.310 352 F CB -1.907 37.181 39.000 0.146 0.000 0.921 352 F HN 0.387 nan 8.300 nan 0.000 0.517 353 I N 1.070 121.181 120.570 -0.766 0.000 2.103 353 I HA -0.399 3.771 4.170 -0.000 0.000 0.241 353 I C 2.319 178.319 176.117 -0.196 0.000 1.036 353 I CA 2.987 63.973 61.300 -0.523 0.000 1.300 353 I CB -0.720 36.939 38.000 -0.568 0.000 1.010 353 I HN 0.407 nan 8.210 nan 0.000 0.406 354 I N 0.184 120.683 120.570 -0.118 0.000 2.091 354 I HA -0.266 3.904 4.170 -0.000 0.000 0.240 354 I C 1.246 177.343 176.117 -0.033 0.000 1.046 354 I CA 1.704 62.980 61.300 -0.040 0.000 1.306 354 I CB -0.757 37.247 38.000 0.006 0.000 1.018 354 I HN 0.220 nan 8.210 nan 0.000 0.404 355 K N 1.204 121.599 120.400 -0.008 0.000 2.527 355 K HA 0.350 4.670 4.320 -0.000 0.000 0.240 355 K C -0.798 175.810 176.600 0.013 0.000 0.989 355 K CA -0.301 55.983 56.287 -0.004 0.000 0.985 355 K CB 0.644 33.144 32.500 -0.000 0.000 1.221 355 K HN 0.282 nan 8.250 nan 0.000 0.458 356 Q N 3.925 123.721 119.800 -0.006 0.000 3.958 356 Q HA 0.012 4.352 4.340 -0.000 0.000 0.162 356 Q C -0.947 175.037 176.000 -0.028 0.000 0.731 356 Q CA -0.327 55.478 55.803 0.004 0.000 0.883 356 Q CB -0.012 28.767 28.738 0.069 0.000 1.557 356 Q HN 0.649 nan 8.270 nan 0.000 0.405 357 N N 0.826 119.502 118.700 -0.041 0.000 2.068 357 N HA 0.096 4.836 4.740 -0.000 0.000 0.244 357 N C 0.682 176.139 175.510 -0.088 0.000 1.248 357 N CA 2.914 55.926 53.050 -0.063 0.000 0.858 357 N CB 0.134 38.599 38.487 -0.036 0.000 1.054 357 N HN 0.929 nan 8.380 nan 0.000 0.471 358 G N 0.162 108.869 108.800 -0.154 0.000 2.615 358 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.218 358 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.218 358 G C 0.407 175.078 174.900 -0.381 0.000 1.339 358 G CA 0.437 45.378 45.100 -0.266 0.000 0.884 358 G HN 1.460 nan 8.290 nan 0.000 0.559 359 M N -1.310 117.934 119.600 -0.593 0.000 2.412 359 M HA 0.683 5.163 4.480 -0.000 0.000 0.315 359 M C -0.714 175.208 176.300 -0.629 0.000 1.092 359 M CA -0.070 54.855 55.300 -0.625 0.000 0.974 359 M CB 0.426 32.582 32.600 -0.740 0.000 1.437 359 M HN 0.282 nan 8.290 nan 0.000 0.524 360 F N 0.715 120.550 119.950 -0.192 0.000 2.546 360 F HA 0.807 5.334 4.527 0.000 0.000 0.320 360 F C -0.259 175.460 175.800 -0.135 0.000 1.076 360 F CA -1.190 56.717 58.000 -0.154 0.000 0.928 360 F CB 2.207 41.104 39.000 -0.171 0.000 1.189 360 F HN 0.075 nan 8.300 nan 0.000 0.465 361 S N 1.602 117.367 115.700 0.108 0.000 2.669 361 S HA 0.417 4.887 4.470 -0.000 0.000 0.304 361 S C -1.159 173.502 174.600 0.103 0.000 1.021 361 S CA -1.067 57.154 58.200 0.036 0.000 0.854 361 S CB 0.563 63.734 63.200 -0.047 0.000 1.048 361 S HN 0.551 nan 8.310 nan 0.000 0.452 362 F N 0.488 120.447 119.950 0.015 0.000 2.408 362 F HA 0.944 5.471 4.527 -0.000 0.000 0.325 362 F C 0.224 176.038 175.800 0.023 0.000 1.082 362 F CA -0.657 57.331 58.000 -0.021 0.000 1.032 362 F CB 1.068 40.005 39.000 -0.104 0.000 1.259 362 F HN 0.457 nan 8.300 nan 0.000 0.503 363 S N -0.680 115.102 115.700 0.137 0.000 2.697 363 S HA 0.510 4.980 4.470 -0.000 0.000 0.289 363 S C 0.157 174.711 174.600 -0.076 0.000 1.149 363 S CA -0.403 57.794 58.200 -0.006 0.000 0.850 363 S CB 1.541 64.754 63.200 0.021 0.000 1.151 363 S HN 1.030 nan 8.310 nan 0.000 0.491 364 G N 1.169 109.910 108.800 -0.097 0.000 3.397 364 G HA2 0.303 4.263 3.960 -0.000 0.000 0.248 364 G HA3 0.303 4.263 3.960 -0.000 0.000 0.248 364 G C -0.249 174.664 174.900 0.022 0.000 1.284 364 G CA -0.034 45.054 45.100 -0.021 0.000 1.570 364 G HN 0.419 nan 8.290 nan 0.000 0.587 365 L N 2.440 123.664 121.223 0.003 0.000 2.314 365 L HA 0.204 4.544 4.340 -0.000 0.000 0.275 365 L C 0.608 177.467 176.870 -0.017 0.000 1.068 365 L CA -0.303 54.546 54.840 0.015 0.000 0.894 365 L CB -0.174 41.899 42.059 0.024 0.000 1.275 365 L HN 0.172 nan 8.230 nan 0.000 0.432 366 T N 0.058 114.607 114.554 -0.007 0.000 2.800 366 T HA 0.087 4.437 4.350 -0.000 0.000 0.266 366 T C 1.178 175.867 174.700 -0.019 0.000 0.939 366 T CA -0.399 61.687 62.100 -0.023 0.000 1.199 366 T CB -0.031 68.826 68.868 -0.018 0.000 0.899 366 T HN 0.660 nan 8.240 nan 0.000 0.555 367 K N 1.381 121.760 120.400 -0.035 0.000 5.968 367 K HA -0.405 3.915 4.320 -0.000 0.000 0.416 367 K C 1.669 178.265 176.600 -0.006 0.000 0.672 367 K CA 2.242 58.514 56.287 -0.025 0.000 1.347 367 K CB -1.327 31.159 32.500 -0.024 0.000 1.063 367 K HN 0.569 nan 8.250 nan 0.000 0.824 368 E N 0.957 121.156 120.200 -0.001 0.000 2.312 368 E HA -0.332 4.018 4.350 -0.000 0.000 0.209 368 E C 2.066 178.678 176.600 0.020 0.000 1.047 368 E CA 2.156 58.562 56.400 0.009 0.000 0.840 368 E CB -0.348 29.357 29.700 0.010 0.000 0.738 368 E HN 0.641 nan 8.360 nan 0.000 0.478 369 Q N -0.075 119.738 119.800 0.022 0.000 2.123 369 Q HA -0.045 4.295 4.340 -0.000 0.000 0.199 369 Q C 2.126 178.145 176.000 0.032 0.000 0.966 369 Q CA 0.979 56.803 55.803 0.035 0.000 0.845 369 Q CB 0.330 29.090 28.738 0.036 0.000 0.907 369 Q HN 0.133 nan 8.270 nan 0.000 0.439 370 V N 0.147 120.070 119.914 0.015 0.000 3.174 370 V HA -0.105 4.015 4.120 -0.000 0.000 0.254 370 V C 1.752 177.841 176.094 -0.008 0.000 1.120 370 V CA 0.516 62.817 62.300 0.001 0.000 1.114 370 V CB 0.041 31.862 31.823 -0.002 0.000 0.756 370 V HN 0.340 nan 8.190 nan 0.000 0.467 371 L N 0.446 121.669 121.223 -0.000 0.000 2.141 371 L HA -0.059 4.281 4.340 -0.000 0.000 0.209 371 L C 2.390 179.257 176.870 -0.005 0.000 1.094 371 L CA 1.802 56.638 54.840 -0.006 0.000 0.763 371 L CB -0.733 41.327 42.059 0.002 0.000 0.908 371 L HN 0.186 nan 8.230 nan 0.000 0.437 372 R N -1.147 119.367 120.500 0.023 0.000 2.097 372 R HA -0.199 4.141 4.340 -0.000 0.000 0.236 372 R C 2.128 178.498 176.300 0.115 0.000 1.135 372 R CA 1.857 57.999 56.100 0.070 0.000 0.934 372 R CB -0.450 29.911 30.300 0.102 0.000 0.846 372 R HN 0.255 nan 8.270 nan 0.000 0.431 373 L N 0.891 122.161 121.223 0.077 0.000 1.997 373 L HA -0.252 4.088 4.340 -0.000 0.000 0.216 373 L C 2.429 179.325 176.870 0.043 0.000 1.074 373 L CA 2.055 56.948 54.840 0.089 0.000 0.763 373 L CB -1.331 40.699 42.059 -0.049 0.000 0.890 373 L HN 0.251 nan 8.230 nan 0.000 0.434 374 R N 0.715 121.109 120.500 -0.177 0.000 2.189 374 R HA -0.269 4.071 4.340 -0.000 0.000 0.252 374 R C 1.483 177.706 176.300 -0.128 0.000 1.134 374 R CA 1.844 57.691 56.100 -0.422 0.000 0.954 374 R CB -0.617 29.509 30.300 -0.290 0.000 0.890 374 R HN 0.681 nan 8.270 nan 0.000 0.443 375 E N 0.673 120.862 120.200 -0.018 0.000 4.351 375 E HA -0.261 4.089 4.350 -0.000 0.000 0.572 375 E C -0.165 176.436 176.600 0.002 0.000 1.519 375 E CA 1.508 57.911 56.400 0.006 0.000 3.777 375 E CB -0.322 29.380 29.700 0.002 0.000 0.723 375 E HN 0.501 nan 8.360 nan 0.000 0.311 376 E N 0.371 120.514 120.200 -0.096 0.000 2.354 376 E HA 0.177 4.527 4.350 -0.000 0.000 0.260 376 E C -0.518 175.889 176.600 -0.323 0.000 1.405 376 E CA 0.054 56.368 56.400 -0.144 0.000 1.728 376 E CB -0.327 29.293 29.700 -0.133 0.000 1.471 376 E HN 0.363 nan 8.360 nan 0.000 0.441 377 F N 0.059 120.024 119.950 0.025 0.000 2.061 377 F HA 0.592 5.119 4.527 -0.000 0.000 0.207 377 F C 1.430 177.269 175.800 0.064 0.000 1.294 377 F CA 0.172 58.188 58.000 0.026 0.000 1.246 377 F CB -0.136 38.866 39.000 0.004 0.000 1.941 377 F HN 0.186 nan 8.300 nan 0.000 0.128 378 G N 0.536 109.502 108.800 0.277 0.000 2.165 378 G HA2 0.127 4.087 3.960 -0.000 0.000 0.144 378 G HA3 0.127 4.087 3.960 -0.000 0.000 0.144 378 G C -1.190 173.924 174.900 0.356 0.000 1.049 378 G CA -0.078 45.233 45.100 0.352 0.000 0.741 378 G HN 0.618 nan 8.290 nan 0.000 0.493 379 V N -0.220 119.752 119.914 0.097 0.000 2.612 379 V HA 0.883 5.003 4.120 -0.000 0.000 0.301 379 V C -0.799 175.190 176.094 -0.174 0.000 1.046 379 V CA -1.149 61.175 62.300 0.040 0.000 0.946 379 V CB 1.500 33.325 31.823 0.003 0.000 1.003 379 V HN 0.333 nan 8.190 nan 0.000 0.459 380 Y N 5.436 125.676 120.300 -0.099 0.000 2.594 380 Y HA 0.748 5.298 4.550 0.000 0.000 0.338 380 Y C 0.572 176.436 175.900 -0.060 0.000 1.019 380 Y CA 0.229 58.281 58.100 -0.080 0.000 1.306 380 Y CB 1.257 39.597 38.460 -0.200 0.000 1.094 380 Y HN 1.003 nan 8.280 nan 0.000 0.534 381 A N 1.146 123.989 122.820 0.039 0.000 2.529 381 A HA 0.604 4.924 4.320 -0.000 0.000 0.269 381 A C 0.230 177.851 177.584 0.062 0.000 1.509 381 A CA -0.251 51.811 52.037 0.040 0.000 0.857 381 A CB 0.388 19.400 19.000 0.019 0.000 1.531 381 A HN 0.470 nan 8.150 nan 0.000 0.541 382 V N -0.342 119.606 119.914 0.057 0.000 2.988 382 V HA 0.446 4.566 4.120 -0.000 0.000 0.356 382 V C 0.843 176.964 176.094 0.045 0.000 1.380 382 V CA 0.675 63.012 62.300 0.063 0.000 1.184 382 V CB -0.771 31.095 31.823 0.072 0.000 1.204 382 V HN 1.965 nan 8.190 nan 0.000 0.530 383 A N 1.250 124.086 122.820 0.026 0.000 2.462 383 A HA -0.203 4.117 4.320 -0.000 0.000 0.294 383 A C 1.275 178.853 177.584 -0.010 0.000 1.461 383 A CA 1.460 53.500 52.037 0.005 0.000 0.765 383 A CB -1.713 17.294 19.000 0.012 0.000 1.071 383 A HN 1.698 nan 8.150 nan 0.000 0.401 384 S N -3.827 111.858 115.700 -0.025 0.000 2.391 384 S HA 0.462 4.932 4.470 -0.000 0.000 0.275 384 S C 1.906 176.386 174.600 -0.199 0.000 1.032 384 S CA 1.181 59.334 58.200 -0.079 0.000 1.421 384 S CB 0.039 63.273 63.200 0.056 0.000 1.176 384 S HN 2.453 nan 8.310 nan 0.000 0.615 385 G N 1.921 110.685 108.800 -0.059 0.000 2.176 385 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.232 385 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.232 385 G C -0.038 174.928 174.900 0.110 0.000 0.986 385 G CA -0.002 45.076 45.100 -0.037 0.000 0.643 385 G HN 0.648 nan 8.290 nan 0.000 0.522 386 R N 0.629 121.240 120.500 0.185 0.000 2.267 386 R HA 0.519 4.859 4.340 -0.000 0.000 0.319 386 R C 0.051 176.418 176.300 0.112 0.000 1.067 386 R CA 0.372 56.588 56.100 0.194 0.000 0.936 386 R CB 0.901 31.315 30.300 0.189 0.000 1.006 386 R HN 0.774 nan 8.270 nan 0.000 0.452 387 V N 2.387 122.352 119.914 0.085 0.000 2.735 387 V HA 0.379 4.499 4.120 -0.000 0.000 0.310 387 V C -0.801 175.336 176.094 0.072 0.000 1.061 387 V CA -1.156 61.172 62.300 0.046 0.000 0.913 387 V CB 1.961 33.767 31.823 -0.029 0.000 1.005 387 V HN 0.805 nan 8.190 nan 0.000 0.428 388 N N 3.613 122.369 118.700 0.093 0.000 2.421 388 N HA 0.246 4.986 4.740 -0.000 0.000 0.260 388 N C 0.823 176.276 175.510 -0.095 0.000 1.173 388 N CA 0.062 53.138 53.050 0.044 0.000 0.960 388 N CB 1.229 39.781 38.487 0.110 0.000 1.273 388 N HN 0.633 nan 8.380 nan 0.000 0.497 389 V N 3.177 122.988 119.914 -0.172 0.000 2.688 389 V HA -0.272 3.848 4.120 -0.000 0.000 0.256 389 V C 2.179 178.173 176.094 -0.167 0.000 1.084 389 V CA 1.932 64.110 62.300 -0.204 0.000 1.103 389 V CB -1.102 30.573 31.823 -0.246 0.000 0.688 389 V HN 0.826 nan 8.190 nan 0.000 0.480 390 A N 0.625 123.341 122.820 -0.173 0.000 1.978 390 A HA -0.103 4.217 4.320 -0.000 0.000 0.220 390 A C 2.307 179.794 177.584 -0.161 0.000 1.170 390 A CA 1.835 53.775 52.037 -0.161 0.000 0.636 390 A CB -0.794 18.151 19.000 -0.091 0.000 0.810 390 A HN 0.562 nan 8.150 nan 0.000 0.448 391 G N -1.770 106.965 108.800 -0.108 0.000 2.880 391 G HA2 0.265 4.225 3.960 -0.000 0.000 0.209 391 G HA3 0.265 4.225 3.960 -0.000 0.000 0.209 391 G C 0.625 175.478 174.900 -0.078 0.000 1.157 391 G CA -0.213 44.834 45.100 -0.088 0.000 0.779 391 G HN 0.440 nan 8.290 nan 0.000 0.539 392 M N 1.494 121.046 119.600 -0.080 0.000 2.185 392 M HA 0.343 4.823 4.480 -0.000 0.000 0.357 392 M C -0.269 176.003 176.300 -0.048 0.000 1.260 392 M CA 0.400 55.675 55.300 -0.042 0.000 1.124 392 M CB 1.448 34.028 32.600 -0.034 0.000 1.600 392 M HN -0.090 nan 8.290 nan 0.000 0.467 393 T N 3.474 118.015 114.554 -0.023 0.000 2.887 393 T HA 0.424 4.774 4.350 -0.000 0.000 0.292 393 T C -1.859 172.837 174.700 -0.006 0.000 1.087 393 T CA -1.189 60.896 62.100 -0.024 0.000 1.009 393 T CB 1.835 70.683 68.868 -0.034 0.000 1.203 393 T HN 0.393 nan 8.240 nan 0.000 0.518 394 P HA -0.144 nan 4.420 nan 0.000 0.214 394 P C 0.768 178.066 177.300 -0.003 0.000 1.163 394 P CA 1.479 64.575 63.100 -0.007 0.000 0.889 394 P CB 0.253 31.948 31.700 -0.009 0.000 0.790 395 D N -0.545 119.854 120.400 -0.002 0.000 2.103 395 D HA -0.087 4.553 4.640 -0.000 0.000 0.199 395 D C 1.834 178.140 176.300 0.008 0.000 0.978 395 D CA 1.064 55.066 54.000 0.004 0.000 0.829 395 D CB -0.426 40.377 40.800 0.006 0.000 0.981 395 D HN 0.396 nan 8.370 nan 0.000 0.464 396 N N 0.367 119.073 118.700 0.009 0.000 2.171 396 N HA -0.123 4.617 4.740 -0.000 0.000 0.184 396 N C 1.803 177.322 175.510 0.015 0.000 1.021 396 N CA 0.246 53.306 53.050 0.016 0.000 0.854 396 N CB -0.135 38.363 38.487 0.017 0.000 0.994 396 N HN -0.075 nan 8.380 nan 0.000 0.426 397 M N 2.160 121.770 119.600 0.017 0.000 3.553 397 M HA -0.385 4.095 4.480 -0.000 0.000 0.277 397 M C 1.963 178.255 176.300 -0.013 0.000 0.942 397 M CA 1.810 57.120 55.300 0.017 0.000 1.002 397 M CB -1.242 31.359 32.600 0.002 0.000 1.363 397 M HN 0.312 nan 8.290 nan 0.000 0.573 398 A N 0.556 123.363 122.820 -0.022 0.000 2.067 398 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 398 A C -0.173 177.391 177.584 -0.033 0.000 1.395 398 A CA 3.182 55.199 52.037 -0.033 0.000 0.821 398 A CB -2.713 16.276 19.000 -0.019 0.000 0.822 398 A HN 0.587 nan 8.150 nan 0.000 0.502 399 P HA -0.193 nan 4.420 nan 0.000 0.216 399 P C 1.729 179.013 177.300 -0.027 0.000 1.157 399 P CA 1.894 64.995 63.100 0.003 0.000 0.880 399 P CB -0.351 31.371 31.700 0.036 0.000 0.791 400 L N -0.466 120.744 121.223 -0.022 0.000 2.191 400 L HA -0.080 4.260 4.340 -0.000 0.000 0.212 400 L C 2.559 179.387 176.870 -0.069 0.000 1.103 400 L CA 1.719 56.542 54.840 -0.027 0.000 0.769 400 L CB -1.556 40.522 42.059 0.033 0.000 0.908 400 L HN 0.009 nan 8.230 nan 0.000 0.438 401 C N 0.296 119.535 119.300 -0.101 0.000 2.457 401 C HA -0.079 4.381 4.460 -0.000 0.000 0.278 401 C C 2.683 177.557 174.990 -0.193 0.000 1.309 401 C CA 0.867 59.759 59.018 -0.209 0.000 1.735 401 C CB -1.000 26.606 27.740 -0.223 0.000 1.992 401 C HN 0.778 nan 8.230 nan 0.000 0.493 402 E N 0.327 120.449 120.200 -0.130 0.000 2.489 402 E HA 0.078 4.428 4.350 -0.000 0.000 0.193 402 E C 1.868 178.372 176.600 -0.160 0.000 1.057 402 E CA 0.803 57.142 56.400 -0.101 0.000 0.866 402 E CB -0.010 29.670 29.700 -0.033 0.000 0.916 402 E HN 0.668 nan 8.360 nan 0.000 0.500 403 A N 1.685 124.338 122.820 -0.277 0.000 1.855 403 A HA -0.107 4.213 4.320 -0.000 0.000 0.215 403 A C 2.197 179.170 177.584 -1.018 0.000 1.191 403 A CA 1.053 52.644 52.037 -0.743 0.000 0.613 403 A CB -0.672 17.929 19.000 -0.665 0.000 0.829 403 A HN 0.365 nan 8.150 nan 0.000 0.442 404 I N 0.585 120.861 120.570 -0.491 0.000 2.248 404 I HA -0.279 3.891 4.170 -0.000 0.000 0.248 404 I C 2.461 178.504 176.117 -0.123 0.000 1.107 404 I CA 1.705 62.860 61.300 -0.241 0.000 1.373 404 I CB -0.091 37.833 38.000 -0.126 0.000 1.055 404 I HN 0.358 nan 8.210 nan 0.000 0.418 405 V N -0.366 119.478 119.914 -0.117 0.000 2.219 405 V HA -0.336 3.784 4.120 -0.000 0.000 0.248 405 V C 2.547 178.654 176.094 0.021 0.000 1.053 405 V CA 1.919 64.192 62.300 -0.044 0.000 1.009 405 V CB -2.042 29.752 31.823 -0.048 0.000 0.636 405 V HN 0.399 nan 8.190 nan 0.000 0.445 406 A N 0.685 123.554 122.820 0.081 0.000 2.076 406 A HA -0.068 4.252 4.320 -0.000 0.000 0.220 406 A C 2.429 180.096 177.584 0.139 0.000 1.160 406 A CA 2.410 54.536 52.037 0.149 0.000 0.653 406 A CB -0.974 18.215 19.000 0.315 0.000 0.801 406 A HN 1.340 nan 8.150 nan 0.000 0.455 407 V N -4.096 115.877 119.914 0.098 0.000 2.788 407 V HA 0.264 4.384 4.120 -0.000 0.000 0.251 407 V C 0.720 176.855 176.094 0.069 0.000 1.068 407 V CA 0.547 62.898 62.300 0.085 0.000 1.090 407 V CB -0.540 31.307 31.823 0.040 0.000 0.710 407 V HN 0.505 nan 8.190 nan 0.000 0.467 408 L N 0.000 121.258 121.223 0.059 0.000 2.949 408 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 408 L CA 0.000 54.877 54.840 0.062 0.000 0.813 408 L CB 0.000 42.096 42.059 0.062 0.000 0.961 408 L HN 0.000 nan 8.230 nan 0.000 0.502