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 2zsg_1_A DATA FIRST_RESID 1 DATA SEQUENCE MDRSERLIQL ISEEGIDAFL IMNIENSARA SSVYFSGFTG SFSIILISEN DATA SEQUENCE TRLLITDSRY TVQAKQETDF EVREVXXXDF IDVLKKTVND LKIKTIALEE DATA SEQUENCE ERVSLSLFRR ISSAFGDRKF IGIDDEVKQM RMVKDEGEIE KIKQAIEISE DATA SEQUENCE RAFLETVQQI RAGMTEKEIA ALLEYTMRKE GAEGVAFDTI VASGCRSALP DATA SEQUENCE HGKASDKVVE RGDVIVIDFG ATYENYCADI TRVVSIGEPS DEVKEVHSIV DATA SEQUENCE LEAQERALKI AKAGVTGKLL DSVAREFIRE KGYGEFFGHS LGHGIGLEVH DATA SEQUENCE EGPAISFRND SPLPENVVFT VEPGIYLEGK FGIRIEEDVV LKEQGCEILT DATA SEQUENCE TLPRSIFVV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.301 176.300 0.001 0.000 1.140 1 M CA 0.000 55.309 55.300 0.014 0.000 0.988 1 M CB 0.000 32.599 32.600 -0.001 0.000 1.302 2 D N -1.253 119.150 120.400 0.006 0.000 2.639 2 D HA 0.562 5.210 4.640 0.013 0.000 0.271 2 D C -1.168 175.099 176.300 -0.054 0.000 1.254 2 D CA -0.875 53.112 54.000 -0.022 0.000 0.810 2 D CB 1.354 42.216 40.800 0.104 0.000 1.351 2 D HN 0.814 nan 8.370 nan 0.000 0.427 3 R N 0.065 120.482 120.500 -0.139 0.000 2.865 3 R HA 0.270 4.618 4.340 0.013 0.000 0.370 3 R C 0.723 177.134 176.300 0.185 0.000 1.168 3 R CA 0.008 56.037 56.100 -0.119 0.000 1.058 3 R CB 0.443 30.437 30.300 -0.511 0.000 1.419 3 R HN 0.557 nan 8.270 nan 0.000 0.580 4 S N -0.188 115.672 115.700 0.268 0.000 2.423 4 S HA -0.182 4.296 4.470 0.013 0.000 0.231 4 S C 1.768 176.481 174.600 0.187 0.000 1.014 4 S CA 0.822 59.221 58.200 0.333 0.000 0.965 4 S CB 0.126 63.525 63.200 0.333 0.000 0.785 4 S HN 0.468 nan 8.310 nan 0.000 0.495 5 E N 2.443 122.717 120.200 0.124 0.000 2.058 5 E HA -0.259 4.098 4.350 0.013 0.000 0.194 5 E C 2.439 179.085 176.600 0.078 0.000 0.997 5 E CA 1.478 57.923 56.400 0.074 0.000 0.801 5 E CB -0.208 29.521 29.700 0.048 0.000 0.746 5 E HN 0.800 nan 8.360 nan 0.000 0.450 6 R N 0.793 121.353 120.500 0.100 0.000 2.148 6 R HA -0.085 4.262 4.340 0.013 0.000 0.227 6 R C 2.467 178.836 176.300 0.116 0.000 1.103 6 R CA 0.925 57.086 56.100 0.102 0.000 0.983 6 R CB -0.558 29.812 30.300 0.116 0.000 0.874 6 R HN 0.247 nan 8.270 nan 0.000 0.451 7 L N 1.243 122.563 121.223 0.162 0.000 2.027 7 L HA -0.088 4.259 4.340 0.013 0.000 0.206 7 L C 2.154 179.015 176.870 -0.014 0.000 1.074 7 L CA 1.619 56.493 54.840 0.055 0.000 0.745 7 L CB -0.520 41.531 42.059 -0.013 0.000 0.898 7 L HN 0.220 nan 8.230 nan 0.000 0.433 8 I N 0.454 121.039 120.570 0.025 0.000 2.208 8 I HA -0.290 3.888 4.170 0.013 0.000 0.245 8 I C 2.617 178.734 176.117 -0.000 0.000 1.097 8 I CA 1.279 62.584 61.300 0.008 0.000 1.363 8 I CB -1.153 36.856 38.000 0.016 0.000 1.051 8 I HN 0.411 nan 8.210 nan 0.000 0.413 9 Q N 0.943 120.751 119.800 0.012 0.000 2.084 9 Q HA -0.178 4.169 4.340 0.013 0.000 0.202 9 Q C 2.141 178.140 176.000 -0.003 0.000 0.978 9 Q CA 1.468 57.277 55.803 0.009 0.000 0.844 9 Q CB -0.507 28.243 28.738 0.020 0.000 0.898 9 Q HN 0.387 nan 8.270 nan 0.000 0.426 10 L N 0.852 122.070 121.223 -0.009 0.000 1.994 10 L HA -0.155 4.193 4.340 0.013 0.000 0.208 10 L C 2.270 179.111 176.870 -0.049 0.000 1.071 10 L CA 2.326 57.148 54.840 -0.029 0.000 0.745 10 L CB -1.150 40.880 42.059 -0.047 0.000 0.892 10 L HN 0.600 nan 8.230 nan 0.000 0.431 11 I N -1.878 118.651 120.570 -0.067 0.000 2.394 11 I HA -0.174 4.004 4.170 0.013 0.000 0.251 11 I C 2.644 178.741 176.117 -0.033 0.000 1.136 11 I CA 1.356 62.620 61.300 -0.060 0.000 1.425 11 I CB -0.788 37.175 38.000 -0.062 0.000 1.079 11 I HN 0.291 nan 8.210 nan 0.000 0.425 12 S N 1.177 116.863 115.700 -0.024 0.000 2.399 12 S HA -0.191 4.287 4.470 0.013 0.000 0.231 12 S C 1.787 176.379 174.600 -0.014 0.000 1.022 12 S CA 1.341 59.532 58.200 -0.016 0.000 0.983 12 S CB -0.726 62.468 63.200 -0.011 0.000 0.803 12 S HN 0.628 nan 8.310 nan 0.000 0.480 13 E N 1.170 121.361 120.200 -0.014 0.000 2.265 13 E HA -0.084 4.273 4.350 0.013 0.000 0.196 13 E C 1.422 178.015 176.600 -0.013 0.000 0.996 13 E CA 1.145 57.539 56.400 -0.011 0.000 0.832 13 E CB -0.052 29.642 29.700 -0.010 0.000 0.756 13 E HN 0.757 nan 8.360 nan 0.000 0.491 14 E N -0.985 119.205 120.200 -0.017 0.000 2.538 14 E HA 0.141 4.498 4.350 0.013 0.000 0.207 14 E C 0.669 177.260 176.600 -0.015 0.000 1.002 14 E CA 0.214 56.604 56.400 -0.016 0.000 0.952 14 E CB 1.211 30.899 29.700 -0.020 0.000 1.031 14 E HN 0.273 nan 8.360 nan 0.000 0.476 15 G N 2.095 110.886 108.800 -0.015 0.000 2.153 15 G HA2 -0.300 3.668 3.960 0.013 0.000 0.252 15 G HA3 -0.300 3.668 3.960 0.013 0.000 0.252 15 G C 0.245 175.134 174.900 -0.019 0.000 0.994 15 G CA 0.035 45.126 45.100 -0.015 0.000 0.698 15 G HN 0.268 nan 8.290 nan 0.000 0.521 16 I N 0.927 121.485 120.570 -0.021 0.000 2.441 16 I HA 0.184 4.361 4.170 0.013 0.000 0.287 16 I C 1.106 177.211 176.117 -0.020 0.000 1.049 16 I CA -0.675 60.612 61.300 -0.022 0.000 1.381 16 I CB 0.842 38.830 38.000 -0.020 0.000 1.409 16 I HN -0.065 nan 8.210 nan 0.000 0.523 17 D N 4.833 125.218 120.400 -0.025 0.000 2.149 17 D HA 0.058 4.706 4.640 0.013 0.000 0.201 17 D C 0.540 176.834 176.300 -0.010 0.000 0.972 17 D CA 0.995 54.982 54.000 -0.022 0.000 0.835 17 D CB 0.318 41.097 40.800 -0.034 0.000 0.966 17 D HN 0.632 nan 8.370 nan 0.000 0.476 18 A N -0.688 122.133 122.820 0.003 0.000 2.599 18 A HA 0.511 4.839 4.320 0.013 0.000 0.290 18 A C -1.894 175.764 177.584 0.122 0.000 1.101 18 A CA -0.662 51.398 52.037 0.038 0.000 0.674 18 A CB 1.372 20.376 19.000 0.005 0.000 1.277 18 A HN -0.027 nan 8.150 nan 0.000 0.419 19 F N 0.875 120.785 119.950 -0.067 0.000 2.482 19 F HA 0.730 5.265 4.527 0.013 0.000 0.331 19 F C -1.232 174.535 175.800 -0.054 0.000 1.115 19 F CA -1.767 56.186 58.000 -0.080 0.000 0.955 19 F CB 1.742 40.644 39.000 -0.162 0.000 1.136 19 F HN 0.510 nan 8.300 nan 0.000 0.452 20 L N 7.703 128.747 121.223 -0.299 0.000 2.333 20 L HA 0.654 5.001 4.340 0.013 0.000 0.280 20 L C -1.506 174.992 176.870 -0.620 0.000 1.004 20 L CA -0.361 54.257 54.840 -0.370 0.000 0.820 20 L CB 1.180 43.179 42.059 -0.101 0.000 1.247 20 L HN 0.561 nan 8.230 nan 0.000 0.416 21 I N 5.963 126.185 120.570 -0.579 0.000 2.378 21 I HA 0.401 4.579 4.170 0.013 0.000 0.291 21 I C -0.463 175.478 176.117 -0.294 0.000 0.992 21 I CA -0.389 60.636 61.300 -0.458 0.000 1.154 21 I CB 1.778 39.529 38.000 -0.414 0.000 1.315 21 I HN 0.598 nan 8.210 nan 0.000 0.448 22 M N 5.676 125.148 119.600 -0.213 0.000 2.158 22 M HA 0.262 4.750 4.480 0.013 0.000 0.326 22 M C -0.535 175.660 176.300 -0.174 0.000 1.014 22 M CA -0.428 54.725 55.300 -0.245 0.000 0.961 22 M CB 0.663 33.182 32.600 -0.136 0.000 1.327 22 M HN 0.380 nan 8.290 nan 0.000 0.393 23 N N 3.854 122.427 118.700 -0.212 0.000 2.437 23 N HA 0.472 5.220 4.740 0.013 0.000 0.243 23 N C -1.587 173.897 175.510 -0.043 0.000 1.041 23 N CA 0.026 53.012 53.050 -0.107 0.000 0.940 23 N CB 0.480 38.909 38.487 -0.097 0.000 1.133 23 N HN 0.560 nan 8.380 nan 0.000 0.506 24 I N 2.100 122.713 120.570 0.072 0.000 2.447 24 I HA 0.204 4.382 4.170 0.013 0.000 0.287 24 I C 0.137 176.350 176.117 0.161 0.000 1.023 24 I CA -0.616 60.822 61.300 0.230 0.000 1.083 24 I CB 1.526 39.659 38.000 0.222 0.000 1.245 24 I HN 0.545 nan 8.210 nan 0.000 0.434 25 E N 4.913 125.223 120.200 0.184 0.000 2.389 25 E HA -0.254 4.104 4.350 0.013 0.000 0.243 25 E C -0.196 176.453 176.600 0.082 0.000 1.154 25 E CA 0.312 56.784 56.400 0.120 0.000 0.723 25 E CB -0.937 28.816 29.700 0.088 0.000 1.261 25 E HN 0.822 nan 8.360 nan 0.000 0.390 26 N N -2.050 116.693 118.700 0.071 0.000 2.800 26 N HA -0.234 4.514 4.740 0.013 0.000 0.250 26 N C 1.042 176.564 175.510 0.021 0.000 1.078 26 N CA 1.352 54.417 53.050 0.025 0.000 0.804 26 N CB -1.720 36.776 38.487 0.015 0.000 1.135 26 N HN 0.584 nan 8.380 nan 0.000 0.565 27 S N -1.183 114.537 115.700 0.034 0.000 2.442 27 S HA 0.121 4.598 4.470 0.013 0.000 0.236 27 S C 1.163 175.772 174.600 0.015 0.000 1.007 27 S CA 0.959 59.176 58.200 0.028 0.000 0.965 27 S CB 0.222 63.446 63.200 0.039 0.000 0.773 27 S HN 0.576 nan 8.310 nan 0.000 0.504 28 A N 0.351 123.174 122.820 0.004 0.000 2.843 28 A HA 0.521 4.849 4.320 0.013 0.000 0.248 28 A C 1.245 178.827 177.584 -0.003 0.000 0.904 28 A CA -0.386 51.654 52.037 0.006 0.000 1.091 28 A CB 0.015 19.013 19.000 -0.003 0.000 1.208 28 A HN 0.312 nan 8.150 nan 0.000 0.476 29 R N 0.275 120.763 120.500 -0.020 0.000 2.080 29 R HA -0.185 4.163 4.340 0.013 0.000 0.236 29 R C 2.161 178.431 176.300 -0.050 0.000 1.137 29 R CA 2.072 58.140 56.100 -0.053 0.000 0.943 29 R CB -0.182 30.078 30.300 -0.068 0.000 0.846 29 R HN 0.569 nan 8.270 nan 0.000 0.431 30 A N 0.129 122.925 122.820 -0.041 0.000 1.908 30 A HA -0.167 4.161 4.320 0.013 0.000 0.218 30 A C 2.252 179.835 177.584 -0.001 0.000 1.181 30 A CA 2.084 54.089 52.037 -0.054 0.000 0.627 30 A CB -0.625 18.334 19.000 -0.068 0.000 0.818 30 A HN 0.465 nan 8.150 nan 0.000 0.445 31 S N -0.599 115.146 115.700 0.074 0.000 2.368 31 S HA -0.143 4.335 4.470 0.013 0.000 0.225 31 S C 2.334 177.100 174.600 0.276 0.000 1.030 31 S CA 1.424 59.777 58.200 0.254 0.000 0.999 31 S CB -0.374 63.025 63.200 0.331 0.000 0.844 31 S HN 0.717 nan 8.310 nan 0.000 0.459 32 S N 0.889 116.659 115.700 0.116 0.000 2.368 32 S HA -0.096 4.381 4.470 0.013 0.000 0.225 32 S C 1.908 176.525 174.600 0.029 0.000 1.030 32 S CA 1.367 59.603 58.200 0.061 0.000 0.999 32 S CB -0.397 62.815 63.200 0.020 0.000 0.844 32 S HN 0.298 nan 8.310 nan 0.000 0.459 33 V N 0.555 120.459 119.914 -0.017 0.000 2.307 33 V HA -0.111 4.017 4.120 0.013 0.000 0.245 33 V C 2.090 178.161 176.094 -0.038 0.000 1.045 33 V CA 2.113 64.374 62.300 -0.065 0.000 1.024 33 V CB -0.953 30.799 31.823 -0.118 0.000 0.651 33 V HN 0.659 nan 8.190 nan 0.000 0.449 34 Y N 0.129 120.311 120.300 -0.197 0.000 2.165 34 Y HA -0.229 4.328 4.550 0.012 0.000 0.286 34 Y C 2.045 177.732 175.900 -0.354 0.000 1.155 34 Y CA 1.896 59.791 58.100 -0.341 0.000 1.164 34 Y CB -0.219 37.893 38.460 -0.580 0.000 0.978 34 Y HN 0.272 nan 8.280 nan 0.000 0.513 35 F N -1.619 118.422 119.950 0.152 0.000 2.754 35 F HA 0.086 4.621 4.527 0.014 0.000 0.297 35 F C 2.234 178.045 175.800 0.019 0.000 1.122 35 F CA 0.730 58.800 58.000 0.117 0.000 1.400 35 F CB -0.059 39.108 39.000 0.278 0.000 1.117 35 F HN 0.138 nan 8.300 nan 0.000 0.587 36 S N -2.277 113.403 115.700 -0.033 0.000 2.691 36 S HA 0.466 4.944 4.470 0.013 0.000 0.258 36 S C 1.649 176.092 174.600 -0.261 0.000 1.078 36 S CA 0.508 58.430 58.200 -0.463 0.000 1.000 36 S CB 0.613 63.266 63.200 -0.912 0.000 0.942 36 S HN 0.404 nan 8.310 nan 0.000 0.521 37 G N 1.155 109.884 108.800 -0.119 0.000 2.213 37 G HA2 -0.235 3.733 3.960 0.013 0.000 0.236 37 G HA3 -0.235 3.733 3.960 0.013 0.000 0.236 37 G C -0.114 174.760 174.900 -0.043 0.000 0.991 37 G CA 0.021 45.079 45.100 -0.070 0.000 0.629 37 G HN 0.718 nan 8.290 nan 0.000 0.517 38 F N 3.237 123.055 119.950 -0.220 0.000 2.495 38 F HA 0.497 5.032 4.527 0.014 0.000 0.365 38 F C 1.678 177.363 175.800 -0.191 0.000 1.090 38 F CA 0.927 58.802 58.000 -0.208 0.000 1.235 38 F CB 1.363 40.204 39.000 -0.266 0.000 1.119 38 F HN 0.168 nan 8.300 nan 0.000 0.562 39 T N 1.965 115.999 114.554 -0.867 0.000 3.054 39 T HA 0.355 4.713 4.350 0.013 0.000 0.255 39 T C 0.946 175.085 174.700 -0.934 0.000 1.035 39 T CA 0.131 61.815 62.100 -0.694 0.000 0.941 39 T CB -0.612 68.019 68.868 -0.395 0.000 1.026 39 T HN 0.672 nan 8.240 nan 0.000 0.533 40 G N 1.346 108.981 108.800 -1.943 0.000 2.653 40 G HA2 0.366 4.333 3.960 0.013 0.000 0.265 40 G HA3 0.366 4.333 3.960 0.013 0.000 0.265 40 G C 1.008 175.457 174.900 -0.753 0.000 1.237 40 G CA 0.010 44.177 45.100 -1.555 0.000 0.946 40 G HN 0.391 nan 8.290 nan 0.000 0.522 41 S N -1.530 113.891 115.700 -0.465 0.000 2.501 41 S HA 0.190 4.668 4.470 0.013 0.000 0.220 41 S C 0.221 174.913 174.600 0.153 0.000 0.997 41 S CA 0.052 58.235 58.200 -0.028 0.000 0.919 41 S CB 0.010 63.305 63.200 0.159 0.000 0.778 41 S HN 0.433 nan 8.310 nan 0.000 0.523 42 F N 3.090 123.041 119.950 0.002 0.000 2.499 42 F HA 0.649 5.183 4.527 0.012 0.000 0.333 42 F C -0.964 174.865 175.800 0.049 0.000 1.138 42 F CA -0.846 57.203 58.000 0.082 0.000 0.945 42 F CB 1.794 40.917 39.000 0.204 0.000 1.181 42 F HN 0.161 nan 8.300 nan 0.000 0.435 43 S N 7.022 122.335 115.700 -0.644 0.000 2.605 43 S HA 0.598 5.076 4.470 0.013 0.000 0.279 43 S C -1.756 172.441 174.600 -0.672 0.000 1.166 43 S CA -0.892 56.895 58.200 -0.689 0.000 0.975 43 S CB 1.085 64.082 63.200 -0.339 0.000 1.111 43 S HN 0.392 nan 8.310 nan 0.000 0.465 44 I N 3.781 123.925 120.570 -0.711 0.000 2.328 44 I HA 0.448 4.626 4.170 0.013 0.000 0.287 44 I C -0.429 175.495 176.117 -0.321 0.000 1.012 44 I CA -0.834 60.137 61.300 -0.548 0.000 1.195 44 I CB 0.695 38.333 38.000 -0.603 0.000 1.350 44 I HN 0.737 nan 8.210 nan 0.000 0.464 45 I N 6.853 127.267 120.570 -0.260 0.000 2.404 45 I HA 0.355 4.533 4.170 0.013 0.000 0.293 45 I C -0.612 175.434 176.117 -0.119 0.000 0.992 45 I CA -0.829 60.386 61.300 -0.143 0.000 1.149 45 I CB 2.244 40.162 38.000 -0.137 0.000 1.315 45 I HN 0.295 nan 8.210 nan 0.000 0.446 46 L N 8.485 129.701 121.223 -0.013 0.000 2.349 46 L HA 0.620 4.968 4.340 0.013 0.000 0.278 46 L C -1.027 175.859 176.870 0.026 0.000 0.996 46 L CA -0.080 54.745 54.840 -0.024 0.000 0.825 46 L CB 1.209 43.261 42.059 -0.013 0.000 1.243 46 L HN 0.410 nan 8.230 nan 0.000 0.412 47 I N 4.620 125.209 120.570 0.031 0.000 2.436 47 I HA 0.669 4.847 4.170 0.013 0.000 0.289 47 I C -0.305 175.832 176.117 0.033 0.000 1.010 47 I CA -0.131 61.199 61.300 0.050 0.000 1.098 47 I CB 1.933 40.018 38.000 0.142 0.000 1.266 47 I HN 0.780 nan 8.210 nan 0.000 0.434 48 S N 3.324 119.018 115.700 -0.009 0.000 2.688 48 S HA 0.392 4.870 4.470 0.013 0.000 0.275 48 S C -0.842 173.742 174.600 -0.028 0.000 1.175 48 S CA -1.000 57.194 58.200 -0.010 0.000 0.818 48 S CB 1.548 64.739 63.200 -0.015 0.000 1.157 48 S HN 0.631 nan 8.310 nan 0.000 0.482 49 E N 0.917 121.103 120.200 -0.023 0.000 2.480 49 E HA 0.066 4.424 4.350 0.013 0.000 0.258 49 E C -0.257 176.320 176.600 -0.038 0.000 0.984 49 E CA 0.339 56.723 56.400 -0.027 0.000 0.930 49 E CB -0.151 29.538 29.700 -0.019 0.000 0.936 49 E HN 0.568 nan 8.360 nan 0.000 0.466 50 N N 2.405 121.076 118.700 -0.048 0.000 2.708 50 N HA -0.161 4.587 4.740 0.013 0.000 0.251 50 N C -1.258 174.205 175.510 -0.077 0.000 1.123 50 N CA 1.574 54.589 53.050 -0.057 0.000 0.739 50 N CB -1.248 37.215 38.487 -0.040 0.000 1.113 50 N HN 0.431 nan 8.380 nan 0.000 0.561 51 T N 0.691 115.185 114.554 -0.099 0.000 3.011 51 T HA 0.420 4.778 4.350 0.013 0.000 0.303 51 T C -0.392 174.184 174.700 -0.207 0.000 0.997 51 T CA -0.662 61.365 62.100 -0.121 0.000 1.007 51 T CB 2.033 70.859 68.868 -0.071 0.000 1.017 51 T HN -0.032 nan 8.240 nan 0.000 0.443 52 R N 3.002 123.306 120.500 -0.326 0.000 2.576 52 R HA 0.380 4.728 4.340 0.013 0.000 0.283 52 R C -1.453 174.621 176.300 -0.378 0.000 1.493 52 R CA -0.716 54.968 56.100 -0.694 0.000 1.170 52 R CB 1.468 30.925 30.300 -1.405 0.000 1.189 52 R HN 0.445 nan 8.270 nan 0.000 0.542 53 L N 2.795 123.995 121.223 -0.037 0.000 2.317 53 L HA 0.619 4.967 4.340 0.013 0.000 0.281 53 L C -1.102 175.890 176.870 0.204 0.000 1.024 53 L CA -0.663 54.230 54.840 0.088 0.000 0.810 53 L CB 1.624 43.699 42.059 0.026 0.000 1.240 53 L HN 0.550 nan 8.230 nan 0.000 0.427 54 L N 6.093 127.390 121.223 0.123 0.000 2.404 54 L HA 0.603 4.951 4.340 0.013 0.000 0.272 54 L C -1.374 175.411 176.870 -0.142 0.000 0.980 54 L CA -0.337 54.469 54.840 -0.056 0.000 0.836 54 L CB 1.373 43.337 42.059 -0.158 0.000 1.238 54 L HN 0.633 nan 8.230 nan 0.000 0.408 55 I N 4.416 124.863 120.570 -0.206 0.000 2.354 55 I HA 0.502 4.680 4.170 0.013 0.000 0.292 55 I C 0.049 175.969 176.117 -0.328 0.000 0.989 55 I CA -0.094 61.104 61.300 -0.171 0.000 1.188 55 I CB 1.926 39.878 38.000 -0.080 0.000 1.342 55 I HN 0.568 nan 8.210 nan 0.000 0.457 56 T N 3.345 117.820 114.554 -0.132 0.000 2.787 56 T HA 0.365 4.723 4.350 0.013 0.000 0.297 56 T C -1.413 173.505 174.700 0.362 0.000 1.221 56 T CA -0.688 61.428 62.100 0.026 0.000 1.006 56 T CB 1.544 70.336 68.868 -0.126 0.000 1.328 56 T HN 0.690 nan 8.240 nan 0.000 0.509 57 D N 0.115 120.866 120.400 0.586 0.000 2.466 57 D HA 0.350 4.997 4.640 0.013 0.000 0.262 57 D C 1.589 177.999 176.300 0.183 0.000 1.177 57 D CA 0.049 54.228 54.000 0.299 0.000 1.035 57 D CB 0.316 41.195 40.800 0.132 0.000 1.105 57 D HN 0.433 nan 8.370 nan 0.000 0.551 58 S N -0.436 115.315 115.700 0.085 0.000 2.420 58 S HA -0.278 4.200 4.470 0.013 0.000 0.237 58 S C 1.640 176.238 174.600 -0.005 0.000 1.023 58 S CA 0.752 58.976 58.200 0.040 0.000 0.991 58 S CB -0.592 62.616 63.200 0.013 0.000 0.792 58 S HN 0.494 nan 8.310 nan 0.000 0.488 59 R N -0.370 120.082 120.500 -0.079 0.000 2.189 59 R HA 0.015 4.363 4.340 0.013 0.000 0.223 59 R C 0.786 176.866 176.300 -0.367 0.000 1.092 59 R CA 1.374 57.293 56.100 -0.300 0.000 0.989 59 R CB -0.252 29.719 30.300 -0.547 0.000 0.876 59 R HN 0.577 nan 8.270 nan 0.000 0.457 60 Y N -1.979 118.420 120.300 0.164 0.000 2.563 60 Y HA 0.112 4.669 4.550 0.011 0.000 0.250 60 Y C 1.991 177.968 175.900 0.128 0.000 1.126 60 Y CA -0.312 57.920 58.100 0.220 0.000 1.231 60 Y CB 0.218 38.932 38.460 0.422 0.000 1.288 60 Y HN -0.093 nan 8.280 nan 0.000 0.537 61 T N -0.336 114.332 114.554 0.189 0.000 2.665 61 T HA -0.172 4.186 4.350 0.013 0.000 0.268 61 T C 1.963 176.723 174.700 0.100 0.000 1.035 61 T CA 2.276 64.439 62.100 0.104 0.000 1.151 61 T CB -0.456 68.456 68.868 0.074 0.000 0.862 61 T HN 0.123 nan 8.240 nan 0.000 0.438 62 V N 1.385 121.366 119.914 0.111 0.000 2.307 62 V HA -0.145 3.983 4.120 0.013 0.000 0.245 62 V C 2.709 178.883 176.094 0.133 0.000 1.045 62 V CA 2.372 64.731 62.300 0.099 0.000 1.024 62 V CB -0.912 30.959 31.823 0.080 0.000 0.651 62 V HN 0.594 nan 8.190 nan 0.000 0.449 63 Q N 0.250 120.173 119.800 0.205 0.000 2.061 63 Q HA -0.255 4.092 4.340 0.013 0.000 0.204 63 Q C 2.240 178.412 176.000 0.286 0.000 0.984 63 Q CA 2.312 58.270 55.803 0.258 0.000 0.846 63 Q CB -0.357 28.612 28.738 0.385 0.000 0.902 63 Q HN 0.613 nan 8.270 nan 0.000 0.421 64 A N 0.872 123.870 122.820 0.296 0.000 1.940 64 A HA -0.208 4.120 4.320 0.013 0.000 0.219 64 A C 1.917 179.544 177.584 0.071 0.000 1.176 64 A CA 1.752 53.854 52.037 0.108 0.000 0.631 64 A CB -0.375 18.424 19.000 -0.335 0.000 0.814 64 A HN 0.380 nan 8.150 nan 0.000 0.446 65 K N -0.674 119.769 120.400 0.072 0.000 2.217 65 K HA -0.093 4.235 4.320 0.013 0.000 0.202 65 K C 2.190 178.835 176.600 0.075 0.000 1.051 65 K CA 1.290 57.616 56.287 0.065 0.000 0.952 65 K CB -0.101 32.432 32.500 0.056 0.000 0.736 65 K HN 0.649 nan 8.250 nan 0.000 0.453 66 Q N 0.568 120.421 119.800 0.088 0.000 2.096 66 Q HA -0.090 4.258 4.340 0.013 0.000 0.197 66 Q C 1.545 177.587 176.000 0.071 0.000 0.964 66 Q CA 1.060 56.907 55.803 0.074 0.000 0.838 66 Q CB 0.169 28.951 28.738 0.074 0.000 0.906 66 Q HN 0.349 nan 8.270 nan 0.000 0.444 67 E N 0.470 120.725 120.200 0.093 0.000 2.299 67 E HA -0.033 4.325 4.350 0.013 0.000 0.193 67 E C 0.686 177.323 176.600 0.062 0.000 0.998 67 E CA 0.943 57.387 56.400 0.072 0.000 0.851 67 E CB 0.393 30.145 29.700 0.087 0.000 0.795 67 E HN 0.282 nan 8.360 nan 0.000 0.492 68 T N -1.136 113.464 114.554 0.076 0.000 2.907 68 T HA 0.166 4.523 4.350 0.013 0.000 0.290 68 T C -0.079 174.718 174.700 0.160 0.000 1.066 68 T CA -0.871 61.282 62.100 0.088 0.000 1.012 68 T CB 1.840 70.698 68.868 -0.016 0.000 1.184 68 T HN -0.083 nan 8.240 nan 0.000 0.522 69 D N -0.058 120.506 120.400 0.272 0.000 2.463 69 D HA 0.164 4.812 4.640 0.013 0.000 0.224 69 D C -0.311 176.137 176.300 0.245 0.000 1.174 69 D CA -0.454 53.672 54.000 0.210 0.000 0.829 69 D CB -0.407 40.477 40.800 0.140 0.000 0.993 69 D HN 0.320 nan 8.370 nan 0.000 0.497 70 F N 1.656 121.605 119.950 -0.003 0.000 2.399 70 F HA 0.229 4.764 4.527 0.014 0.000 0.313 70 F C 1.242 177.028 175.800 -0.024 0.000 1.202 70 F CA -0.933 57.057 58.000 -0.018 0.000 1.192 70 F CB 0.540 39.517 39.000 -0.038 0.000 1.256 70 F HN -0.128 nan 8.300 nan 0.000 0.558 71 E N 1.168 121.417 120.200 0.082 0.000 2.105 71 E HA 0.353 4.711 4.350 0.013 0.000 0.285 71 E C -1.403 175.234 176.600 0.062 0.000 1.055 71 E CA -0.338 56.087 56.400 0.042 0.000 0.843 71 E CB 0.653 30.349 29.700 -0.006 0.000 1.067 71 E HN 0.316 nan 8.360 nan 0.000 0.398 72 V N 4.872 124.811 119.914 0.042 0.000 2.465 72 V HA 0.372 4.500 4.120 0.013 0.000 0.279 72 V C 0.101 176.199 176.094 0.007 0.000 1.045 72 V CA -0.492 61.811 62.300 0.006 0.000 0.938 72 V CB 1.258 33.073 31.823 -0.013 0.000 0.986 72 V HN 0.582 nan 8.190 nan 0.000 0.467 73 R N 3.473 123.972 120.500 -0.002 0.000 2.621 73 R HA 0.480 4.828 4.340 0.013 0.000 0.292 73 R C -0.692 175.628 176.300 0.034 0.000 0.969 73 R CA -0.541 55.572 56.100 0.021 0.000 0.887 73 R CB 1.537 31.856 30.300 0.031 0.000 1.180 73 R HN 0.843 nan 8.270 nan 0.000 0.450 74 E N 3.359 123.592 120.200 0.054 0.000 2.231 74 E HA 0.556 4.913 4.350 0.013 0.000 0.277 74 E C -0.786 175.876 176.600 0.103 0.000 0.999 74 E CA -0.910 55.540 56.400 0.084 0.000 0.827 74 E CB 1.272 31.014 29.700 0.070 0.000 1.101 74 E HN 0.473 nan 8.360 nan 0.000 0.393 80 F N -0.300 119.735 119.950 0.141 0.000 2.834 80 F HA 0.476 5.012 4.527 0.014 0.000 0.332 80 F C 1.135 177.008 175.800 0.123 0.000 1.056 80 F CA -0.360 57.730 58.000 0.151 0.000 1.178 80 F CB -0.285 38.834 39.000 0.199 0.000 1.037 80 F HN 0.218 nan 8.300 nan 0.000 0.580 81 I N 1.933 122.106 120.570 -0.662 0.000 2.118 81 I HA -0.276 3.901 4.170 0.013 0.000 0.241 81 I C 1.875 177.935 176.117 -0.096 0.000 1.070 81 I CA 1.914 62.998 61.300 -0.360 0.000 1.327 81 I CB -0.441 37.297 38.000 -0.438 0.000 1.034 81 I HN 0.141 nan 8.210 nan 0.000 0.405 82 D N 0.410 120.744 120.400 -0.111 0.000 2.117 82 D HA -0.122 4.525 4.640 0.013 0.000 0.197 82 D C 2.357 178.664 176.300 0.012 0.000 0.987 82 D CA 1.118 55.077 54.000 -0.070 0.000 0.829 82 D CB -0.250 40.512 40.800 -0.065 0.000 0.961 82 D HN 0.168 nan 8.370 nan 0.000 0.460 83 V N 1.215 121.165 119.914 0.060 0.000 2.295 83 V HA -0.209 3.918 4.120 0.013 0.000 0.246 83 V C 2.498 178.674 176.094 0.136 0.000 1.049 83 V CA 1.066 63.425 62.300 0.097 0.000 1.024 83 V CB -0.458 31.442 31.823 0.128 0.000 0.648 83 V HN 0.129 nan 8.190 nan 0.000 0.447 84 L N 0.489 121.837 121.223 0.208 0.000 2.046 84 L HA -0.164 4.184 4.340 0.013 0.000 0.208 84 L C 2.417 179.466 176.870 0.299 0.000 1.077 84 L CA 2.212 57.210 54.840 0.263 0.000 0.747 84 L CB -0.754 41.539 42.059 0.390 0.000 0.896 84 L HN 0.250 nan 8.230 nan 0.000 0.432 85 K N -0.734 119.861 120.400 0.326 0.000 2.103 85 K HA -0.198 4.129 4.320 0.013 0.000 0.207 85 K C 2.069 178.774 176.600 0.175 0.000 1.048 85 K CA 1.182 57.654 56.287 0.309 0.000 0.930 85 K CB 0.031 32.469 32.500 -0.103 0.000 0.716 85 K HN 0.201 nan 8.250 nan 0.000 0.444 86 K N 0.002 120.463 120.400 0.102 0.000 2.032 86 K HA -0.119 4.209 4.320 0.013 0.000 0.209 86 K C 2.144 178.790 176.600 0.076 0.000 1.048 86 K CA 1.898 58.226 56.287 0.067 0.000 0.927 86 K CB -0.646 31.883 32.500 0.049 0.000 0.712 86 K HN 0.230 nan 8.250 nan 0.000 0.441 87 T N 1.520 116.128 114.554 0.089 0.000 2.777 87 T HA -0.068 4.290 4.350 0.013 0.000 0.266 87 T C 2.139 176.882 174.700 0.072 0.000 1.040 87 T CA 1.041 63.182 62.100 0.068 0.000 1.141 87 T CB -0.190 68.715 68.868 0.062 0.000 0.868 87 T HN -0.093 nan 8.240 nan 0.000 0.444 88 V N 2.621 122.604 119.914 0.115 0.000 2.287 88 V HA -0.200 3.928 4.120 0.013 0.000 0.248 88 V C 2.477 178.624 176.094 0.088 0.000 1.053 88 V CA 1.544 63.905 62.300 0.102 0.000 1.027 88 V CB -0.517 31.414 31.823 0.180 0.000 0.646 88 V HN 0.498 nan 8.190 nan 0.000 0.447 89 N N 0.002 118.767 118.700 0.108 0.000 2.216 89 N HA -0.137 4.611 4.740 0.013 0.000 0.183 89 N C 1.533 177.068 175.510 0.041 0.000 1.017 89 N CA 1.486 54.578 53.050 0.070 0.000 0.861 89 N CB -0.293 38.231 38.487 0.062 0.000 0.986 89 N HN 0.479 nan 8.380 nan 0.000 0.428 90 D N 0.879 121.302 120.400 0.038 0.000 2.178 90 D HA -0.051 4.597 4.640 0.013 0.000 0.201 90 D C 1.695 178.004 176.300 0.016 0.000 0.980 90 D CA 0.565 54.579 54.000 0.024 0.000 0.842 90 D CB -0.060 40.753 40.800 0.023 0.000 0.948 90 D HN 0.275 nan 8.370 nan 0.000 0.472 91 L N -0.226 121.007 121.223 0.017 0.000 2.592 91 L HA 0.129 4.477 4.340 0.013 0.000 0.227 91 L C 0.274 177.146 176.870 0.003 0.000 1.127 91 L CA 0.004 54.847 54.840 0.006 0.000 0.884 91 L CB -0.112 41.948 42.059 0.002 0.000 1.065 91 L HN -0.089 nan 8.230 nan 0.000 0.457 92 K N 0.342 120.747 120.400 0.009 0.000 3.071 92 K HA -0.181 4.146 4.320 0.013 0.000 0.265 92 K C -0.106 176.490 176.600 -0.007 0.000 1.060 92 K CA 0.479 56.769 56.287 0.004 0.000 0.767 92 K CB -1.804 30.695 32.500 -0.001 0.000 1.241 92 K HN 0.279 nan 8.250 nan 0.000 0.486 93 I N 1.273 121.839 120.570 -0.008 0.000 2.452 93 I HA -0.041 4.137 4.170 0.013 0.000 0.287 93 I C 1.431 177.517 176.117 -0.051 0.000 1.079 93 I CA 0.320 61.601 61.300 -0.031 0.000 1.387 93 I CB 0.732 38.709 38.000 -0.038 0.000 1.404 93 I HN 0.187 nan 8.210 nan 0.000 0.522 94 K N 3.007 123.368 120.400 -0.065 0.000 2.329 94 K HA 0.105 4.432 4.320 0.013 0.000 0.198 94 K C 0.379 176.890 176.600 -0.147 0.000 1.085 94 K CA 0.443 56.679 56.287 -0.085 0.000 0.961 94 K CB 0.420 32.887 32.500 -0.054 0.000 0.971 94 K HN 0.696 nan 8.250 nan 0.000 0.502 95 T N 0.000 114.477 114.554 -0.128 0.000 2.797 95 T HA 0.633 4.990 4.350 0.013 0.000 0.279 95 T C -0.182 174.432 174.700 -0.143 0.000 0.991 95 T CA -0.722 61.289 62.100 -0.149 0.000 0.979 95 T CB 1.383 70.203 68.868 -0.079 0.000 0.943 95 T HN -0.050 nan 8.240 nan 0.000 0.444 96 I N 2.272 122.725 120.570 -0.194 0.000 2.447 96 I HA 0.562 4.740 4.170 0.013 0.000 0.287 96 I C 0.365 176.556 176.117 0.124 0.000 1.023 96 I CA -1.279 59.983 61.300 -0.063 0.000 1.083 96 I CB 1.777 39.694 38.000 -0.140 0.000 1.245 96 I HN 0.891 nan 8.210 nan 0.000 0.434 97 A N 7.752 130.679 122.820 0.178 0.000 2.340 97 A HA 0.873 5.201 4.320 0.013 0.000 0.268 97 A C -0.565 177.258 177.584 0.398 0.000 1.100 97 A CA -0.059 52.121 52.037 0.237 0.000 0.803 97 A CB 0.589 19.669 19.000 0.134 0.000 1.043 97 A HN 0.713 nan 8.150 nan 0.000 0.488 98 L N 0.537 121.957 121.223 0.330 0.000 2.409 98 L HA 0.447 4.794 4.340 0.013 0.000 0.255 98 L C -0.313 176.703 176.870 0.243 0.000 1.027 98 L CA -0.548 54.469 54.840 0.295 0.000 0.834 98 L CB 2.278 44.449 42.059 0.188 0.000 1.426 98 L HN 0.736 nan 8.230 nan 0.000 0.411 99 E N 1.081 121.408 120.200 0.212 0.000 2.028 99 E HA 0.136 4.494 4.350 0.013 0.000 0.266 99 E C -0.125 176.500 176.600 0.043 0.000 0.962 99 E CA -0.160 56.324 56.400 0.139 0.000 0.784 99 E CB 0.934 30.741 29.700 0.177 0.000 1.114 99 E HN 0.514 nan 8.360 nan 0.000 0.414 100 E N 2.018 122.209 120.200 -0.016 0.000 2.418 100 E HA -0.139 4.219 4.350 0.013 0.000 0.197 100 E C 0.693 177.248 176.600 -0.074 0.000 1.026 100 E CA 0.553 56.889 56.400 -0.105 0.000 0.862 100 E CB 0.276 29.866 29.700 -0.184 0.000 0.799 100 E HN 0.444 nan 8.360 nan 0.000 0.518 101 E N 0.551 120.734 120.200 -0.028 0.000 2.481 101 E HA -0.018 4.340 4.350 0.013 0.000 0.195 101 E C 1.152 177.751 176.600 -0.003 0.000 1.047 101 E CA 0.299 56.688 56.400 -0.018 0.000 0.867 101 E CB 0.291 29.987 29.700 -0.007 0.000 0.858 101 E HN 0.115 nan 8.360 nan 0.000 0.513 102 R N 0.583 121.088 120.500 0.009 0.000 2.613 102 R HA 0.230 4.578 4.340 0.013 0.000 0.361 102 R C -0.137 176.177 176.300 0.022 0.000 1.072 102 R CA -0.093 56.019 56.100 0.021 0.000 1.089 102 R CB 1.167 31.490 30.300 0.038 0.000 1.343 102 R HN -0.088 nan 8.270 nan 0.000 0.571 103 V N 1.259 121.183 119.914 0.016 0.000 2.638 103 V HA 0.370 4.497 4.120 0.013 0.000 0.306 103 V C -0.100 176.022 176.094 0.047 0.000 1.052 103 V CA -0.665 61.663 62.300 0.046 0.000 0.885 103 V CB 2.216 34.077 31.823 0.064 0.000 0.999 103 V HN 0.423 nan 8.190 nan 0.000 0.424 104 S N 5.780 121.525 115.700 0.075 0.000 2.593 104 S HA 0.207 4.685 4.470 0.013 0.000 0.269 104 S C 0.974 175.635 174.600 0.102 0.000 1.334 104 S CA 0.172 58.413 58.200 0.070 0.000 1.015 104 S CB 1.260 64.503 63.200 0.072 0.000 0.912 104 S HN 1.063 nan 8.310 nan 0.000 0.541 105 L N 2.173 123.445 121.223 0.082 0.000 2.042 105 L HA -0.052 4.295 4.340 0.013 0.000 0.210 105 L C 2.469 179.420 176.870 0.134 0.000 1.076 105 L CA 2.133 57.042 54.840 0.114 0.000 0.749 105 L CB -1.369 40.733 42.059 0.072 0.000 0.893 105 L HN 0.857 nan 8.230 nan 0.000 0.432 106 S N -0.512 115.242 115.700 0.090 0.000 2.356 106 S HA -0.149 4.329 4.470 0.013 0.000 0.223 106 S C 1.795 176.437 174.600 0.070 0.000 1.032 106 S CA 1.485 59.726 58.200 0.068 0.000 1.005 106 S CB -0.578 62.653 63.200 0.051 0.000 0.867 106 S HN 0.469 nan 8.310 nan 0.000 0.449 107 L N 0.929 122.214 121.223 0.102 0.000 2.093 107 L HA 0.070 4.418 4.340 0.013 0.000 0.208 107 L C 1.874 178.805 176.870 0.102 0.000 1.085 107 L CA 1.561 56.470 54.840 0.115 0.000 0.755 107 L CB -0.834 41.326 42.059 0.168 0.000 0.904 107 L HN 0.283 nan 8.230 nan 0.000 0.435 108 F N 0.491 120.434 119.950 -0.013 0.000 2.171 108 F HA -0.167 4.368 4.527 0.013 0.000 0.300 108 F C 2.520 178.281 175.800 -0.065 0.000 1.090 108 F CA 1.557 59.513 58.000 -0.073 0.000 1.293 108 F CB -0.278 38.671 39.000 -0.084 0.000 1.013 108 F HN 0.030 nan 8.300 nan 0.000 0.486 109 R N -0.201 120.230 120.500 -0.115 0.000 2.115 109 R HA -0.085 4.263 4.340 0.013 0.000 0.230 109 R C 2.384 178.573 176.300 -0.185 0.000 1.111 109 R CA 1.269 57.259 56.100 -0.182 0.000 0.976 109 R CB -0.248 30.034 30.300 -0.029 0.000 0.870 109 R HN 0.289 nan 8.270 nan 0.000 0.445 110 R N 0.140 120.568 120.500 -0.120 0.000 2.075 110 R HA -0.033 4.314 4.340 0.013 0.000 0.232 110 R C 2.172 178.401 176.300 -0.118 0.000 1.126 110 R CA 0.958 56.996 56.100 -0.103 0.000 0.963 110 R CB -0.135 30.123 30.300 -0.070 0.000 0.858 110 R HN 0.138 nan 8.270 nan 0.000 0.435 111 I N 0.338 120.832 120.570 -0.127 0.000 2.252 111 I HA -0.230 3.948 4.170 0.013 0.000 0.245 111 I C 2.516 178.617 176.117 -0.027 0.000 1.102 111 I CA 1.275 62.571 61.300 -0.007 0.000 1.385 111 I CB -1.136 36.804 38.000 -0.100 0.000 1.064 111 I HN 0.146 nan 8.210 nan 0.000 0.414 112 S N 0.463 115.914 115.700 -0.415 0.000 2.370 112 S HA -0.160 4.318 4.470 0.013 0.000 0.226 112 S C 2.258 176.820 174.600 -0.064 0.000 1.033 112 S CA 2.070 60.083 58.200 -0.311 0.000 1.011 112 S CB -0.061 62.765 63.200 -0.623 0.000 0.852 112 S HN 0.442 nan 8.310 nan 0.000 0.457 113 S N 1.212 116.846 115.700 -0.109 0.000 2.383 113 S HA 0.105 4.583 4.470 0.013 0.000 0.227 113 S C 2.191 176.740 174.600 -0.086 0.000 1.026 113 S CA 0.990 59.145 58.200 -0.076 0.000 0.981 113 S CB -0.568 62.580 63.200 -0.087 0.000 0.818 113 S HN 0.708 nan 8.310 nan 0.000 0.472 114 A N 0.398 123.138 122.820 -0.132 0.000 1.968 114 A HA 0.188 4.516 4.320 0.013 0.000 0.217 114 A C 0.730 178.053 177.584 -0.436 0.000 1.169 114 A CA 0.764 52.612 52.037 -0.315 0.000 0.638 114 A CB -0.313 18.415 19.000 -0.452 0.000 0.812 114 A HN 0.452 nan 8.150 nan 0.000 0.446 115 F N -0.018 119.963 119.950 0.053 0.000 2.701 115 F HA 0.373 4.908 4.527 0.013 0.000 0.315 115 F C 1.697 177.552 175.800 0.093 0.000 1.277 115 F CA -0.321 57.739 58.000 0.100 0.000 1.180 115 F CB 0.249 39.396 39.000 0.245 0.000 1.273 115 F HN 0.148 nan 8.300 nan 0.000 0.532 116 G N -0.427 108.450 108.800 0.128 0.000 2.470 116 G HA2 -0.188 3.780 3.960 0.013 0.000 0.220 116 G HA3 -0.188 3.780 3.960 0.013 0.000 0.220 116 G C 1.085 176.036 174.900 0.085 0.000 1.121 116 G CA 0.700 45.857 45.100 0.095 0.000 0.766 116 G HN 0.288 nan 8.290 nan 0.000 0.553 117 D N -0.279 120.168 120.400 0.077 0.000 2.358 117 D HA 0.181 4.829 4.640 0.013 0.000 0.224 117 D C 0.786 177.097 176.300 0.018 0.000 1.123 117 D CA 0.055 54.081 54.000 0.043 0.000 0.833 117 D CB 0.685 41.504 40.800 0.031 0.000 0.946 117 D HN 0.070 nan 8.370 nan 0.000 0.505 118 R N 0.663 121.166 120.500 0.006 0.000 2.758 118 R HA 0.419 4.766 4.340 0.013 0.000 0.265 118 R C -0.108 176.029 176.300 -0.272 0.000 1.016 118 R CA -0.606 55.388 56.100 -0.176 0.000 1.040 118 R CB 1.728 31.834 30.300 -0.324 0.000 1.152 118 R HN -0.196 nan 8.270 nan 0.000 0.503 119 K N 1.812 121.991 120.400 -0.367 0.000 2.323 119 K HA 0.398 4.725 4.320 0.013 0.000 0.259 119 K C -1.300 175.061 176.600 -0.399 0.000 0.947 119 K CA -0.380 55.764 56.287 -0.239 0.000 0.819 119 K CB 0.730 33.169 32.500 -0.102 0.000 1.109 119 K HN 0.297 nan 8.250 nan 0.000 0.429 120 F N 4.201 124.207 119.950 0.093 0.000 2.443 120 F HA 0.463 4.998 4.527 0.013 0.000 0.335 120 F C -0.202 175.646 175.800 0.081 0.000 1.104 120 F CA -0.847 57.218 58.000 0.109 0.000 1.013 120 F CB 1.195 40.329 39.000 0.223 0.000 1.136 120 F HN 0.293 nan 8.300 nan 0.000 0.470 121 I N 2.016 122.725 120.570 0.231 0.000 2.447 121 I HA 0.431 4.608 4.170 0.013 0.000 0.287 121 I C 0.284 176.470 176.117 0.115 0.000 1.023 121 I CA -0.531 60.846 61.300 0.128 0.000 1.083 121 I CB 1.674 39.713 38.000 0.064 0.000 1.245 121 I HN 0.645 nan 8.210 nan 0.000 0.434 122 G N 6.150 114.991 108.800 0.069 0.000 2.364 122 G HA2 0.488 4.456 3.960 0.013 0.000 0.267 122 G HA3 0.488 4.456 3.960 0.013 0.000 0.267 122 G C 0.454 175.366 174.900 0.019 0.000 1.233 122 G CA -0.203 44.920 45.100 0.038 0.000 0.885 122 G HN 0.827 nan 8.290 nan 0.000 0.490 123 I N -0.549 120.030 120.570 0.014 0.000 3.707 123 I HA 0.316 4.493 4.170 0.013 0.000 0.330 123 I C 0.273 176.373 176.117 -0.029 0.000 1.572 123 I CA -0.488 60.789 61.300 -0.038 0.000 1.104 123 I CB 0.707 38.628 38.000 -0.131 0.000 1.240 123 I HN 0.259 nan 8.210 nan 0.000 0.475 124 D N 2.143 122.545 120.400 0.004 0.000 2.116 124 D HA -0.212 4.436 4.640 0.013 0.000 0.193 124 D C 1.474 177.775 176.300 0.002 0.000 0.998 124 D CA 1.923 55.932 54.000 0.015 0.000 0.836 124 D CB 0.068 40.874 40.800 0.011 0.000 0.951 124 D HN 0.413 nan 8.370 nan 0.000 0.449 125 D N 0.517 120.913 120.400 -0.007 0.000 2.117 125 D HA -0.131 4.516 4.640 0.013 0.000 0.197 125 D C 1.937 178.232 176.300 -0.009 0.000 0.987 125 D CA 0.854 54.849 54.000 -0.008 0.000 0.829 125 D CB -0.259 40.535 40.800 -0.010 0.000 0.961 125 D HN 0.402 nan 8.370 nan 0.000 0.460 126 E N 0.344 120.532 120.200 -0.019 0.000 2.077 126 E HA -0.106 4.252 4.350 0.013 0.000 0.193 126 E C 2.339 178.937 176.600 -0.003 0.000 0.989 126 E CA 0.613 57.002 56.400 -0.020 0.000 0.800 126 E CB 0.086 29.758 29.700 -0.046 0.000 0.746 126 E HN 0.096 nan 8.360 nan 0.000 0.452 127 V N 1.659 121.569 119.914 -0.007 0.000 2.358 127 V HA -0.245 3.883 4.120 0.013 0.000 0.246 127 V C 2.137 178.239 176.094 0.014 0.000 1.047 127 V CA 1.675 64.007 62.300 0.053 0.000 1.035 127 V CB -0.389 31.491 31.823 0.094 0.000 0.658 127 V HN 0.181 nan 8.190 nan 0.000 0.452 128 K N -0.471 119.930 120.400 0.000 0.000 2.057 128 K HA -0.190 4.138 4.320 0.013 0.000 0.207 128 K C 2.348 178.936 176.600 -0.021 0.000 1.049 128 K CA 1.279 57.554 56.287 -0.019 0.000 0.931 128 K CB -0.202 32.294 32.500 -0.007 0.000 0.714 128 K HN 0.387 nan 8.250 nan 0.000 0.440 129 Q N 0.312 120.110 119.800 -0.004 0.000 2.119 129 Q HA -0.124 4.224 4.340 0.013 0.000 0.201 129 Q C 2.026 178.034 176.000 0.014 0.000 0.972 129 Q CA 1.222 57.029 55.803 0.006 0.000 0.847 129 Q CB -0.172 28.572 28.738 0.010 0.000 0.903 129 Q HN 0.404 nan 8.270 nan 0.000 0.433 130 M N 0.145 119.758 119.600 0.021 0.000 2.086 130 M HA -0.185 4.303 4.480 0.013 0.000 0.261 130 M C 1.990 178.290 176.300 -0.000 0.000 1.067 130 M CA 1.593 56.928 55.300 0.060 0.000 1.116 130 M CB 0.046 32.729 32.600 0.138 0.000 1.348 130 M HN 0.009 nan 8.290 nan 0.000 0.407 131 R N -0.625 119.777 120.500 -0.164 0.000 2.153 131 R HA -0.043 4.305 4.340 0.013 0.000 0.218 131 R C 2.169 178.423 176.300 -0.077 0.000 1.072 131 R CA 1.215 57.145 56.100 -0.283 0.000 0.990 131 R CB -0.243 29.776 30.300 -0.468 0.000 0.889 131 R HN 0.493 nan 8.270 nan 0.000 0.452 132 M N 0.583 120.166 119.600 -0.029 0.000 2.229 132 M HA -0.048 4.440 4.480 0.013 0.000 0.264 132 M C -0.136 176.193 176.300 0.049 0.000 1.063 132 M CA 1.127 56.440 55.300 0.021 0.000 1.114 132 M CB 0.604 33.218 32.600 0.024 0.000 1.387 132 M HN -0.175 nan 8.290 nan 0.000 0.420 133 V N 2.498 122.440 119.914 0.047 0.000 2.348 133 V HA 0.188 4.316 4.120 0.013 0.000 0.270 133 V C -0.335 175.799 176.094 0.067 0.000 1.037 133 V CA -0.669 61.665 62.300 0.056 0.000 0.872 133 V CB 0.809 32.662 31.823 0.050 0.000 1.002 133 V HN 0.137 nan 8.190 nan 0.000 0.464 134 K N 3.220 123.655 120.400 0.059 0.000 2.185 134 K HA 0.358 4.686 4.320 0.013 0.000 0.271 134 K C -0.020 176.595 176.600 0.025 0.000 1.013 134 K CA -0.315 56.004 56.287 0.052 0.000 0.943 134 K CB 0.427 32.941 32.500 0.024 0.000 0.998 134 K HN 0.567 nan 8.250 nan 0.000 0.468 135 D N 1.372 121.781 120.400 0.015 0.000 2.383 135 D HA 0.034 4.682 4.640 0.013 0.000 0.248 135 D C 1.025 177.302 176.300 -0.040 0.000 1.170 135 D CA -0.302 53.694 54.000 -0.006 0.000 0.977 135 D CB 0.751 41.546 40.800 -0.009 0.000 1.120 135 D HN 0.393 nan 8.370 nan 0.000 0.481 136 E N 0.597 120.775 120.200 -0.037 0.000 2.204 136 E HA -0.093 4.265 4.350 0.013 0.000 0.195 136 E C 1.919 178.475 176.600 -0.073 0.000 0.990 136 E CA 0.647 57.019 56.400 -0.048 0.000 0.821 136 E CB -0.327 29.353 29.700 -0.033 0.000 0.750 136 E HN 0.663 nan 8.360 nan 0.000 0.477 137 G N 1.207 109.960 108.800 -0.078 0.000 2.408 137 G HA2 -0.256 3.712 3.960 0.013 0.000 0.217 137 G HA3 -0.256 3.712 3.960 0.013 0.000 0.217 137 G C 1.461 176.243 174.900 -0.196 0.000 1.150 137 G CA 0.511 45.550 45.100 -0.101 0.000 0.776 137 G HN 0.286 nan 8.290 nan 0.000 0.542 138 E N -0.021 120.022 120.200 -0.262 0.000 2.072 138 E HA 0.009 4.366 4.350 0.013 0.000 0.190 138 E C 2.466 178.814 176.600 -0.421 0.000 0.982 138 E CA 0.371 56.434 56.400 -0.562 0.000 0.803 138 E CB -0.101 29.346 29.700 -0.422 0.000 0.755 138 E HN 0.451 nan 8.360 nan 0.000 0.453 139 I N 1.467 121.914 120.570 -0.206 0.000 2.361 139 I HA -0.228 3.950 4.170 0.013 0.000 0.251 139 I C 2.674 178.725 176.117 -0.109 0.000 1.133 139 I CA 0.855 62.079 61.300 -0.127 0.000 1.413 139 I CB -0.180 37.772 38.000 -0.081 0.000 1.073 139 I HN 0.111 nan 8.210 nan 0.000 0.424 140 E N 1.887 122.022 120.200 -0.108 0.000 2.077 140 E HA -0.229 4.129 4.350 0.013 0.000 0.193 140 E C 2.027 178.604 176.600 -0.037 0.000 0.989 140 E CA 1.522 57.884 56.400 -0.063 0.000 0.800 140 E CB 0.077 29.748 29.700 -0.048 0.000 0.746 140 E HN 0.459 nan 8.360 nan 0.000 0.452 141 K N 0.092 120.442 120.400 -0.083 0.000 2.057 141 K HA -0.035 4.292 4.320 0.013 0.000 0.206 141 K C 2.403 179.058 176.600 0.091 0.000 1.050 141 K CA 1.184 57.492 56.287 0.036 0.000 0.935 141 K CB -0.094 32.353 32.500 -0.087 0.000 0.715 141 K HN 0.163 nan 8.250 nan 0.000 0.439 142 I N 1.250 121.815 120.570 -0.007 0.000 2.226 142 I HA -0.286 3.892 4.170 0.013 0.000 0.245 142 I C 2.399 178.534 176.117 0.030 0.000 1.100 142 I CA 1.069 62.407 61.300 0.065 0.000 1.374 142 I CB -0.157 37.862 38.000 0.031 0.000 1.057 142 I HN 0.056 nan 8.210 nan 0.000 0.413 143 K N 0.786 121.180 120.400 -0.010 0.000 2.097 143 K HA -0.202 4.125 4.320 0.013 0.000 0.206 143 K C 2.142 178.723 176.600 -0.033 0.000 1.049 143 K CA 1.501 57.773 56.287 -0.026 0.000 0.933 143 K CB -0.164 32.314 32.500 -0.037 0.000 0.717 143 K HN 0.188 nan 8.250 nan 0.000 0.442 144 Q N -0.142 119.640 119.800 -0.030 0.000 2.084 144 Q HA -0.040 4.307 4.340 0.013 0.000 0.202 144 Q C 2.144 178.063 176.000 -0.135 0.000 0.978 144 Q CA 1.666 57.390 55.803 -0.132 0.000 0.844 144 Q CB -0.503 28.117 28.738 -0.195 0.000 0.898 144 Q HN 0.442 nan 8.270 nan 0.000 0.426 145 A N 0.692 123.518 122.820 0.010 0.000 1.933 145 A HA -0.148 4.180 4.320 0.013 0.000 0.218 145 A C 2.166 179.754 177.584 0.006 0.000 1.175 145 A CA 1.089 53.157 52.037 0.052 0.000 0.628 145 A CB -0.616 18.465 19.000 0.136 0.000 0.814 145 A HN 0.314 nan 8.150 nan 0.000 0.444 146 I N -0.602 119.963 120.570 -0.007 0.000 2.202 146 I HA -0.240 3.938 4.170 0.013 0.000 0.242 146 I C 2.494 178.604 176.117 -0.011 0.000 1.091 146 I CA 1.490 62.777 61.300 -0.022 0.000 1.368 146 I CB -0.440 37.539 38.000 -0.034 0.000 1.058 146 I HN 0.413 nan 8.210 nan 0.000 0.410 147 E N 0.925 121.105 120.200 -0.032 0.000 2.085 147 E HA -0.232 4.126 4.350 0.013 0.000 0.194 147 E C 2.278 178.865 176.600 -0.020 0.000 0.994 147 E CA 1.405 57.786 56.400 -0.031 0.000 0.801 147 E CB -0.126 29.535 29.700 -0.066 0.000 0.743 147 E HN 0.487 nan 8.360 nan 0.000 0.453 148 I N 0.868 121.408 120.570 -0.050 0.000 2.179 148 I HA -0.281 3.897 4.170 0.013 0.000 0.242 148 I C 2.429 178.574 176.117 0.047 0.000 1.088 148 I CA 0.936 62.217 61.300 -0.033 0.000 1.357 148 I CB -0.199 37.763 38.000 -0.063 0.000 1.051 148 I HN 0.004 nan 8.210 nan 0.000 0.409 149 S N 0.294 116.047 115.700 0.088 0.000 2.356 149 S HA -0.201 4.277 4.470 0.013 0.000 0.223 149 S C 1.855 176.662 174.600 0.344 0.000 1.032 149 S CA 1.399 59.738 58.200 0.232 0.000 1.005 149 S CB -0.340 62.957 63.200 0.162 0.000 0.867 149 S HN 0.482 nan 8.310 nan 0.000 0.449 150 E N 0.803 121.135 120.200 0.220 0.000 2.072 150 E HA -0.119 4.239 4.350 0.013 0.000 0.191 150 E C 2.322 179.032 176.600 0.183 0.000 0.985 150 E CA 0.612 57.146 56.400 0.223 0.000 0.801 150 E CB -0.139 29.636 29.700 0.126 0.000 0.750 150 E HN 0.364 nan 8.360 nan 0.000 0.452 151 R N 0.961 121.525 120.500 0.105 0.000 2.081 151 R HA -0.124 4.224 4.340 0.013 0.000 0.235 151 R C 2.292 178.619 176.300 0.046 0.000 1.131 151 R CA 1.326 57.463 56.100 0.061 0.000 0.960 151 R CB -0.190 30.122 30.300 0.020 0.000 0.856 151 R HN 0.134 nan 8.270 nan 0.000 0.436 152 A N 0.367 123.218 122.820 0.051 0.000 1.902 152 A HA -0.190 4.138 4.320 0.013 0.000 0.217 152 A C 1.990 179.547 177.584 -0.044 0.000 1.181 152 A CA 1.278 53.316 52.037 0.003 0.000 0.623 152 A CB -0.796 18.215 19.000 0.019 0.000 0.818 152 A HN 0.526 nan 8.150 nan 0.000 0.443 153 F N 0.608 120.458 119.950 -0.168 0.000 2.095 153 F HA -0.158 4.376 4.527 0.012 0.000 0.298 153 F C 1.929 177.576 175.800 -0.256 0.000 1.104 153 F CA 1.820 59.615 58.000 -0.343 0.000 1.232 153 F CB -0.260 38.501 39.000 -0.398 0.000 0.987 153 F HN 0.140 nan 8.300 nan 0.000 0.475 154 L N -0.094 121.123 121.223 -0.011 0.000 2.131 154 L HA -0.214 4.134 4.340 0.013 0.000 0.210 154 L C 2.232 179.022 176.870 -0.132 0.000 1.092 154 L CA 1.640 56.449 54.840 -0.052 0.000 0.759 154 L CB -0.687 41.422 42.059 0.084 0.000 0.903 154 L HN 0.220 nan 8.230 nan 0.000 0.435 155 E N -0.962 119.166 120.200 -0.120 0.000 2.216 155 E HA -0.108 4.250 4.350 0.013 0.000 0.192 155 E C 1.988 178.488 176.600 -0.167 0.000 0.988 155 E CA 1.320 57.653 56.400 -0.111 0.000 0.834 155 E CB 0.097 29.751 29.700 -0.077 0.000 0.772 155 E HN 0.435 nan 8.360 nan 0.000 0.479 156 T N 0.484 114.880 114.554 -0.262 0.000 2.939 156 T HA -0.057 4.301 4.350 0.013 0.000 0.254 156 T C 2.027 176.498 174.700 -0.381 0.000 1.041 156 T CA 0.330 62.251 62.100 -0.299 0.000 1.142 156 T CB -0.140 68.524 68.868 -0.340 0.000 0.874 156 T HN -0.014 nan 8.240 nan 0.000 0.452 157 V N 1.988 121.538 119.914 -0.607 0.000 2.317 157 V HA -0.223 3.905 4.120 0.013 0.000 0.251 157 V C 2.378 178.302 176.094 -0.284 0.000 1.065 157 V CA 1.830 63.767 62.300 -0.605 0.000 1.049 157 V CB -0.410 30.876 31.823 -0.895 0.000 0.651 157 V HN 0.435 nan 8.190 nan 0.000 0.450 158 Q N -0.830 118.855 119.800 -0.191 0.000 2.369 158 Q HA -0.126 4.222 4.340 0.013 0.000 0.206 158 Q C 2.045 177.989 176.000 -0.092 0.000 0.963 158 Q CA 1.107 56.850 55.803 -0.099 0.000 0.894 158 Q CB -0.175 28.526 28.738 -0.060 0.000 0.965 158 Q HN 0.757 nan 8.270 nan 0.000 0.475 159 Q N -0.140 119.590 119.800 -0.117 0.000 2.451 159 Q HA 0.142 4.490 4.340 0.013 0.000 0.206 159 Q C 0.308 176.255 176.000 -0.087 0.000 0.947 159 Q CA -0.049 55.700 55.803 -0.090 0.000 0.937 159 Q CB 0.414 29.097 28.738 -0.090 0.000 1.025 159 Q HN 0.337 nan 8.270 nan 0.000 0.511 160 I N 3.193 123.698 120.570 -0.109 0.000 2.588 160 I HA 0.061 4.239 4.170 0.013 0.000 0.283 160 I C 0.314 176.396 176.117 -0.058 0.000 1.119 160 I CA 0.200 61.445 61.300 -0.091 0.000 1.419 160 I CB 0.267 38.200 38.000 -0.112 0.000 1.394 160 I HN 0.128 nan 8.210 nan 0.000 0.562 161 R N 4.920 125.393 120.500 -0.044 0.000 2.692 161 R HA 0.642 4.990 4.340 0.013 0.000 0.269 161 R C -1.377 174.909 176.300 -0.023 0.000 1.030 161 R CA -0.979 55.102 56.100 -0.031 0.000 0.882 161 R CB 0.982 31.265 30.300 -0.029 0.000 1.250 161 R HN 0.519 nan 8.270 nan 0.000 0.465 162 A N 0.250 123.059 122.820 -0.017 0.000 2.540 162 A HA 0.436 4.764 4.320 0.013 0.000 0.239 162 A C 1.384 178.961 177.584 -0.012 0.000 1.061 162 A CA 1.377 53.406 52.037 -0.012 0.000 0.758 162 A CB -0.606 18.388 19.000 -0.010 0.000 0.991 162 A HN 1.609 nan 8.150 nan 0.000 0.502 163 G N 0.985 109.779 108.800 -0.009 0.000 2.307 163 G HA2 -0.195 3.773 3.960 0.013 0.000 0.210 163 G HA3 -0.195 3.773 3.960 0.013 0.000 0.210 163 G C 0.364 175.258 174.900 -0.011 0.000 1.005 163 G CA 0.190 45.285 45.100 -0.009 0.000 0.634 163 G HN 0.742 nan 8.290 nan 0.000 0.496 164 M N 2.401 121.992 119.600 -0.014 0.000 2.241 164 M HA 0.473 4.961 4.480 0.013 0.000 0.335 164 M C 1.300 177.594 176.300 -0.011 0.000 1.122 164 M CA 0.552 55.842 55.300 -0.017 0.000 1.164 164 M CB 0.923 33.508 32.600 -0.025 0.000 1.459 164 M HN 0.459 nan 8.290 nan 0.000 0.461 165 T N -2.044 112.504 114.554 -0.010 0.000 2.902 165 T HA 0.264 4.622 4.350 0.013 0.000 0.280 165 T C 0.728 175.427 174.700 -0.002 0.000 0.992 165 T CA -0.818 61.280 62.100 -0.003 0.000 1.015 165 T CB 1.005 69.871 68.868 -0.003 0.000 1.044 165 T HN 0.718 nan 8.240 nan 0.000 0.520 166 E N 0.343 120.547 120.200 0.007 0.000 2.110 166 E HA -0.142 4.216 4.350 0.013 0.000 0.193 166 E C 2.083 178.688 176.600 0.008 0.000 0.988 166 E CA 1.111 57.518 56.400 0.012 0.000 0.804 166 E CB -0.072 29.643 29.700 0.026 0.000 0.745 166 E HN 0.633 nan 8.360 nan 0.000 0.458 167 K N 0.804 121.208 120.400 0.007 0.000 2.097 167 K HA -0.139 4.189 4.320 0.013 0.000 0.205 167 K C 2.004 178.598 176.600 -0.010 0.000 1.050 167 K CA 1.059 57.347 56.287 0.003 0.000 0.938 167 K CB 0.010 32.512 32.500 0.002 0.000 0.718 167 K HN 0.151 nan 8.250 nan 0.000 0.442 168 E N 0.700 120.891 120.200 -0.015 0.000 2.106 168 E HA -0.146 4.212 4.350 0.013 0.000 0.192 168 E C 1.984 178.565 176.600 -0.031 0.000 0.984 168 E CA 0.876 57.261 56.400 -0.026 0.000 0.806 168 E CB -0.055 29.630 29.700 -0.026 0.000 0.750 168 E HN 0.288 nan 8.360 nan 0.000 0.458 169 I N 1.102 121.653 120.570 -0.031 0.000 2.252 169 I HA -0.238 3.940 4.170 0.013 0.000 0.245 169 I C 2.570 178.660 176.117 -0.045 0.000 1.102 169 I CA 0.865 62.137 61.300 -0.048 0.000 1.385 169 I CB -0.297 37.675 38.000 -0.046 0.000 1.064 169 I HN 0.070 nan 8.210 nan 0.000 0.414 170 A N 0.846 123.654 122.820 -0.020 0.000 1.902 170 A HA -0.179 4.149 4.320 0.013 0.000 0.217 170 A C 2.553 180.132 177.584 -0.009 0.000 1.181 170 A CA 1.894 53.928 52.037 -0.006 0.000 0.623 170 A CB -0.847 18.163 19.000 0.017 0.000 0.818 170 A HN 0.431 nan 8.150 nan 0.000 0.443 171 A N -0.461 122.351 122.820 -0.013 0.000 1.883 171 A HA -0.073 4.254 4.320 0.013 0.000 0.217 171 A C 2.151 179.739 177.584 0.007 0.000 1.186 171 A CA 1.833 53.861 52.037 -0.015 0.000 0.624 171 A CB -0.670 18.305 19.000 -0.042 0.000 0.822 171 A HN 0.728 nan 8.150 nan 0.000 0.444 172 L N -0.836 120.383 121.223 -0.007 0.000 2.046 172 L HA -0.104 4.244 4.340 0.013 0.000 0.208 172 L C 2.236 179.111 176.870 0.008 0.000 1.077 172 L CA 2.039 56.887 54.840 0.013 0.000 0.747 172 L CB -0.659 41.382 42.059 -0.030 0.000 0.896 172 L HN 0.350 nan 8.230 nan 0.000 0.432 173 L N -0.242 120.955 121.223 -0.043 0.000 2.046 173 L HA -0.196 4.152 4.340 0.013 0.000 0.208 173 L C 2.367 179.232 176.870 -0.008 0.000 1.077 173 L CA 1.853 56.648 54.840 -0.074 0.000 0.747 173 L CB -0.759 41.220 42.059 -0.133 0.000 0.896 173 L HN 0.431 nan 8.230 nan 0.000 0.432 174 E N -1.786 118.429 120.200 0.026 0.000 2.072 174 E HA -0.266 4.092 4.350 0.013 0.000 0.191 174 E C 2.075 178.742 176.600 0.112 0.000 0.985 174 E CA 1.429 57.861 56.400 0.053 0.000 0.801 174 E CB -0.395 29.331 29.700 0.042 0.000 0.750 174 E HN 0.517 nan 8.360 nan 0.000 0.452 175 Y N 1.696 121.979 120.300 -0.027 0.000 2.242 175 Y HA -0.168 4.386 4.550 0.006 0.000 0.291 175 Y C 2.283 178.170 175.900 -0.021 0.000 1.137 175 Y CA 1.416 59.503 58.100 -0.021 0.000 1.181 175 Y CB -0.318 38.128 38.460 -0.024 0.000 0.989 175 Y HN -0.062 nan 8.280 nan 0.000 0.527 176 T N 0.234 114.800 114.554 0.021 0.000 2.904 176 T HA -0.154 4.204 4.350 0.013 0.000 0.267 176 T C 2.018 176.681 174.700 -0.062 0.000 1.059 176 T CA 1.497 63.557 62.100 -0.068 0.000 1.137 176 T CB -0.194 68.644 68.868 -0.050 0.000 0.879 176 T HN 0.315 nan 8.240 nan 0.000 0.467 177 M N 0.551 120.141 119.600 -0.017 0.000 2.175 177 M HA -0.028 4.460 4.480 0.013 0.000 0.264 177 M C 2.491 178.778 176.300 -0.020 0.000 1.063 177 M CA 1.464 56.766 55.300 0.003 0.000 1.119 177 M CB -0.328 32.297 32.600 0.042 0.000 1.377 177 M HN 0.115 nan 8.290 nan 0.000 0.415 178 R N 0.262 120.738 120.500 -0.040 0.000 2.092 178 R HA -0.138 4.210 4.340 0.013 0.000 0.231 178 R C 2.232 178.461 176.300 -0.118 0.000 1.119 178 R CA 1.202 57.266 56.100 -0.059 0.000 0.970 178 R CB -0.360 29.907 30.300 -0.054 0.000 0.864 178 R HN 0.342 nan 8.270 nan 0.000 0.440 179 K N 1.070 121.353 120.400 -0.195 0.000 2.103 179 K HA -0.161 4.167 4.320 0.013 0.000 0.207 179 K C 1.067 177.606 176.600 -0.101 0.000 1.048 179 K CA 1.398 57.573 56.287 -0.187 0.000 0.930 179 K CB 0.199 32.574 32.500 -0.209 0.000 0.716 179 K HN 0.026 nan 8.250 nan 0.000 0.444 180 E N -0.769 119.386 120.200 -0.075 0.000 2.489 180 E HA 0.031 4.389 4.350 0.013 0.000 0.193 180 E C 0.904 177.473 176.600 -0.051 0.000 1.057 180 E CA 0.790 57.156 56.400 -0.056 0.000 0.866 180 E CB 0.887 30.560 29.700 -0.044 0.000 0.916 180 E HN 0.641 nan 8.360 nan 0.000 0.500 181 G N 0.608 109.393 108.800 -0.026 0.000 2.205 181 G HA2 -0.201 3.766 3.960 0.013 0.000 0.180 181 G HA3 -0.201 3.766 3.960 0.013 0.000 0.180 181 G C 0.521 175.484 174.900 0.105 0.000 1.004 181 G CA -0.142 44.971 45.100 0.023 0.000 0.670 181 G HN 0.453 nan 8.290 nan 0.000 0.496 182 A N 0.495 123.355 122.820 0.067 0.000 2.540 182 A HA 0.548 4.876 4.320 0.013 0.000 0.239 182 A C 1.021 178.670 177.584 0.109 0.000 1.061 182 A CA 1.182 53.285 52.037 0.110 0.000 0.758 182 A CB 0.124 19.158 19.000 0.057 0.000 0.991 182 A HN 0.545 nan 8.150 nan 0.000 0.502 183 E N 1.664 121.938 120.200 0.125 0.000 2.474 183 E HA 0.331 4.689 4.350 0.013 0.000 0.195 183 E C 0.773 177.390 176.600 0.029 0.000 1.039 183 E CA 0.452 56.887 56.400 0.058 0.000 0.881 183 E CB 0.475 30.186 29.700 0.018 0.000 0.970 183 E HN 0.818 nan 8.360 nan 0.000 0.486 184 G N 0.180 109.000 108.800 0.033 0.000 2.548 184 G HA2 0.387 4.355 3.960 0.013 0.000 0.301 184 G HA3 0.387 4.355 3.960 0.013 0.000 0.301 184 G C -1.515 173.386 174.900 0.003 0.000 1.349 184 G CA -0.706 44.402 45.100 0.014 0.000 0.792 184 G HN -0.044 nan 8.290 nan 0.000 0.481 185 V N 0.923 120.824 119.914 -0.021 0.000 2.483 185 V HA 0.555 4.683 4.120 0.013 0.000 0.295 185 V C 1.418 177.456 176.094 -0.093 0.000 1.035 185 V CA 0.290 62.544 62.300 -0.076 0.000 0.896 185 V CB 1.283 33.053 31.823 -0.088 0.000 0.986 185 V HN 1.284 nan 8.190 nan 0.000 0.447 186 A N 4.736 127.461 122.820 -0.158 0.000 1.969 186 A HA 0.195 4.522 4.320 0.013 0.000 0.218 186 A C 0.545 178.187 177.584 0.097 0.000 1.169 186 A CA 1.581 53.596 52.037 -0.037 0.000 0.635 186 A CB -0.231 18.797 19.000 0.048 0.000 0.810 186 A HN 1.112 nan 8.150 nan 0.000 0.445 187 F N -4.150 115.814 119.950 0.024 0.000 2.770 187 F HA 0.444 4.981 4.527 0.017 0.000 0.313 187 F C -1.824 174.011 175.800 0.058 0.000 1.154 187 F CA -2.096 55.927 58.000 0.038 0.000 0.923 187 F CB 0.175 39.195 39.000 0.033 0.000 1.301 187 F HN -0.212 nan 8.300 nan 0.000 0.449 188 D N 2.226 122.806 120.400 0.300 0.000 2.426 188 D HA 0.098 4.746 4.640 0.013 0.000 0.261 188 D C 0.095 176.545 176.300 0.250 0.000 1.245 188 D CA 0.594 54.709 54.000 0.193 0.000 0.917 188 D CB 0.959 41.868 40.800 0.183 0.000 1.123 188 D HN 0.606 nan 8.370 nan 0.000 0.508 189 T N 3.054 117.662 114.554 0.090 0.000 2.905 189 T HA 0.072 4.429 4.350 0.013 0.000 0.299 189 T C 0.962 175.766 174.700 0.174 0.000 1.024 189 T CA 0.063 62.237 62.100 0.125 0.000 1.151 189 T CB 0.388 69.294 68.868 0.064 0.000 0.987 189 T HN 0.195 nan 8.240 nan 0.000 0.535 190 I N 3.302 124.008 120.570 0.226 0.000 2.321 190 I HA 0.367 4.545 4.170 0.013 0.000 0.291 190 I C -0.371 175.827 176.117 0.136 0.000 0.998 190 I CA -0.737 60.644 61.300 0.135 0.000 1.227 190 I CB 1.452 39.493 38.000 0.067 0.000 1.368 190 I HN 0.272 nan 8.210 nan 0.000 0.466 191 V N 6.244 126.215 119.914 0.096 0.000 2.385 191 V HA 0.483 4.611 4.120 0.013 0.000 0.277 191 V C 0.037 176.176 176.094 0.076 0.000 1.012 191 V CA -0.489 61.863 62.300 0.086 0.000 0.832 191 V CB 1.406 33.263 31.823 0.056 0.000 1.028 191 V HN 0.811 nan 8.190 nan 0.000 0.436 192 A N 3.743 126.618 122.820 0.092 0.000 2.277 192 A HA 0.802 5.130 4.320 0.013 0.000 0.318 192 A C 0.288 177.929 177.584 0.096 0.000 1.339 192 A CA -0.326 51.765 52.037 0.090 0.000 0.875 192 A CB 0.810 19.872 19.000 0.103 0.000 1.158 192 A HN 0.899 nan 8.150 nan 0.000 0.514 193 S N 2.255 118.001 115.700 0.077 0.000 2.549 193 S HA 0.828 5.306 4.470 0.013 0.000 0.297 193 S C 0.824 175.470 174.600 0.076 0.000 1.115 193 S CA 0.148 58.391 58.200 0.071 0.000 1.059 193 S CB 1.229 64.457 63.200 0.048 0.000 1.046 193 S HN 2.508 nan 8.310 nan 0.000 0.506 194 G N 1.165 110.011 108.800 0.077 0.000 2.611 194 G HA2 -0.422 3.546 3.960 0.013 0.000 0.301 194 G HA3 -0.422 3.546 3.960 0.013 0.000 0.301 194 G C 1.294 176.265 174.900 0.119 0.000 1.233 194 G CA 1.164 46.315 45.100 0.084 0.000 0.993 194 G HN 2.178 nan 8.290 nan 0.000 0.553 195 C N 0.136 119.496 119.300 0.100 0.000 2.419 195 C HA 0.189 4.657 4.460 0.013 0.000 0.283 195 C C 2.639 177.687 174.990 0.098 0.000 1.373 195 C CA 1.675 60.755 59.018 0.102 0.000 1.781 195 C CB -1.444 26.341 27.740 0.074 0.000 1.886 195 C HN 0.662 nan 8.230 nan 0.000 0.520 196 R N 2.079 122.631 120.500 0.088 0.000 2.189 196 R HA -0.065 4.283 4.340 0.013 0.000 0.223 196 R C 2.437 178.803 176.300 0.109 0.000 1.092 196 R CA 1.514 57.663 56.100 0.081 0.000 0.989 196 R CB -0.356 29.984 30.300 0.066 0.000 0.876 196 R HN 0.845 nan 8.270 nan 0.000 0.457 197 S N 0.231 116.018 115.700 0.144 0.000 2.507 197 S HA -0.028 4.450 4.470 0.013 0.000 0.235 197 S C 1.891 176.645 174.600 0.256 0.000 0.988 197 S CA 0.829 59.146 58.200 0.195 0.000 0.944 197 S CB 0.164 63.493 63.200 0.215 0.000 0.762 197 S HN 0.313 nan 8.310 nan 0.000 0.526 198 A N 0.840 123.780 122.820 0.200 0.000 2.208 198 A HA 0.446 4.774 4.320 0.013 0.000 0.209 198 A C 0.811 178.476 177.584 0.135 0.000 1.161 198 A CA -0.075 52.093 52.037 0.218 0.000 0.782 198 A CB -0.334 18.728 19.000 0.104 0.000 0.816 198 A HN 0.569 nan 8.150 nan 0.000 0.477 199 L N 0.357 121.619 121.223 0.065 0.000 2.283 199 L HA 0.211 4.559 4.340 0.013 0.000 0.287 199 L C -1.607 175.178 176.870 -0.141 0.000 1.073 199 L CA -1.739 53.072 54.840 -0.047 0.000 0.822 199 L CB 1.124 43.182 42.059 -0.000 0.000 1.186 199 L HN 0.073 nan 8.230 nan 0.000 0.436 200 P HA -0.195 nan 4.420 nan 0.000 0.215 200 P C 0.428 177.668 177.300 -0.101 0.000 1.157 200 P CA 1.485 64.261 63.100 -0.538 0.000 0.874 200 P CB 0.151 31.455 31.700 -0.661 0.000 0.790 201 H N -1.235 117.755 119.070 -0.133 0.000 2.597 201 H HA 0.368 4.932 4.556 0.013 0.000 0.225 201 H C 0.455 175.766 175.328 -0.029 0.000 1.422 201 H CA -0.169 55.845 56.048 -0.056 0.000 1.335 201 H CB -0.013 29.702 29.762 -0.078 0.000 1.783 201 H HN -0.048 nan 8.280 nan 0.000 0.513 202 G N 0.866 109.686 108.800 0.033 0.000 2.975 202 G HA2 0.424 4.391 3.960 0.013 0.000 0.159 202 G HA3 0.424 4.391 3.960 0.013 0.000 0.159 202 G C -0.649 174.276 174.900 0.041 0.000 1.525 202 G CA -0.363 44.772 45.100 0.059 0.000 1.075 202 G HN 0.296 nan 8.290 nan 0.000 0.574 203 K N -1.816 118.610 120.400 0.043 0.000 2.615 203 K HA 0.547 4.874 4.320 0.013 0.000 0.291 203 K C -0.937 175.694 176.600 0.051 0.000 1.017 203 K CA -0.769 55.550 56.287 0.052 0.000 0.882 203 K CB 2.083 34.628 32.500 0.075 0.000 1.522 203 K HN 0.626 nan 8.250 nan 0.000 0.412 204 A N 1.328 124.182 122.820 0.057 0.000 2.524 204 A HA 0.313 4.641 4.320 0.013 0.000 0.250 204 A C 0.227 177.834 177.584 0.038 0.000 1.078 204 A CA 0.420 52.485 52.037 0.047 0.000 0.761 204 A CB -0.325 18.702 19.000 0.045 0.000 1.012 204 A HN 0.641 nan 8.150 nan 0.000 0.500 205 S N 0.874 116.593 115.700 0.032 0.000 2.801 205 S HA 0.470 4.947 4.470 0.013 0.000 0.312 205 S C 0.098 174.709 174.600 0.019 0.000 1.112 205 S CA -0.475 57.741 58.200 0.026 0.000 0.943 205 S CB 1.085 64.302 63.200 0.028 0.000 1.269 205 S HN 0.557 nan 8.310 nan 0.000 0.558 206 D N 0.364 120.773 120.400 0.016 0.000 2.349 206 D HA 0.070 4.718 4.640 0.013 0.000 0.224 206 D C 0.333 176.639 176.300 0.011 0.000 1.029 206 D CA 0.267 54.273 54.000 0.010 0.000 0.879 206 D CB -0.000 40.805 40.800 0.008 0.000 0.906 206 D HN 0.481 nan 8.370 nan 0.000 0.528 207 K N 1.412 121.821 120.400 0.016 0.000 2.489 207 K HA 0.049 4.377 4.320 0.013 0.000 0.278 207 K C -0.304 176.304 176.600 0.013 0.000 1.000 207 K CA -0.090 56.207 56.287 0.017 0.000 1.012 207 K CB 0.842 33.356 32.500 0.024 0.000 0.903 207 K HN -0.277 nan 8.250 nan 0.000 0.485 208 V N 5.294 125.214 119.914 0.011 0.000 2.530 208 V HA 0.054 4.182 4.120 0.013 0.000 0.282 208 V C 0.088 176.188 176.094 0.009 0.000 1.048 208 V CA -0.704 61.600 62.300 0.007 0.000 0.997 208 V CB 1.373 33.199 31.823 0.004 0.000 0.987 208 V HN 0.542 nan 8.190 nan 0.000 0.477 209 V N 5.668 125.585 119.914 0.006 0.000 2.572 209 V HA 0.184 4.312 4.120 0.013 0.000 0.291 209 V C 0.411 176.507 176.094 0.004 0.000 1.039 209 V CA -0.146 62.158 62.300 0.007 0.000 1.055 209 V CB 0.727 32.551 31.823 0.003 0.000 0.969 209 V HN 0.921 nan 8.190 nan 0.000 0.482 210 E N 3.745 123.949 120.200 0.007 0.000 2.235 210 E HA 0.478 4.836 4.350 0.013 0.000 0.265 210 E C -0.473 176.127 176.600 -0.001 0.000 0.940 210 E CA -1.029 55.373 56.400 0.004 0.000 0.819 210 E CB 1.597 31.302 29.700 0.008 0.000 1.206 210 E HN 0.501 nan 8.360 nan 0.000 0.409 211 R N 0.362 120.860 120.500 -0.004 0.000 2.570 211 R HA 0.130 4.478 4.340 0.013 0.000 0.277 211 R C 0.804 177.098 176.300 -0.010 0.000 1.039 211 R CA 1.121 57.216 56.100 -0.008 0.000 1.065 211 R CB 0.289 30.584 30.300 -0.009 0.000 0.964 211 R HN 0.966 nan 8.270 nan 0.000 0.428 212 G N 2.243 111.033 108.800 -0.017 0.000 2.213 212 G HA2 -0.231 3.737 3.960 0.013 0.000 0.236 212 G HA3 -0.231 3.737 3.960 0.013 0.000 0.236 212 G C -0.180 174.701 174.900 -0.031 0.000 0.991 212 G CA -0.086 44.998 45.100 -0.027 0.000 0.629 212 G HN 0.593 nan 8.290 nan 0.000 0.517 213 D N 0.674 121.065 120.400 -0.014 0.000 2.458 213 D HA 0.427 5.075 4.640 0.013 0.000 0.243 213 D C 0.628 176.921 176.300 -0.011 0.000 1.146 213 D CA 0.122 54.120 54.000 -0.003 0.000 0.877 213 D CB 1.615 42.423 40.800 0.013 0.000 1.176 213 D HN 0.159 nan 8.370 nan 0.000 0.461 214 V N 4.180 124.087 119.914 -0.011 0.000 2.509 214 V HA 0.351 4.479 4.120 0.013 0.000 0.284 214 V C 0.425 176.554 176.094 0.058 0.000 1.047 214 V CA -0.425 61.870 62.300 -0.008 0.000 0.952 214 V CB 1.030 32.821 31.823 -0.054 0.000 0.988 214 V HN 0.345 nan 8.190 nan 0.000 0.469 215 I N 5.081 125.697 120.570 0.078 0.000 2.478 215 I HA 0.390 4.567 4.170 0.013 0.000 0.287 215 I C -0.644 175.557 176.117 0.139 0.000 1.042 215 I CA -0.762 60.598 61.300 0.100 0.000 1.067 215 I CB 2.054 40.099 38.000 0.075 0.000 1.233 215 I HN 0.212 nan 8.210 nan 0.000 0.431 216 V N 7.273 127.280 119.914 0.155 0.000 2.432 216 V HA 0.416 4.544 4.120 0.013 0.000 0.275 216 V C 0.122 176.326 176.094 0.183 0.000 1.043 216 V CA -0.221 62.188 62.300 0.182 0.000 0.925 216 V CB 1.535 33.476 31.823 0.196 0.000 0.985 216 V HN 0.467 nan 8.190 nan 0.000 0.466 217 I N 4.309 125.013 120.570 0.224 0.000 2.410 217 I HA 0.404 4.582 4.170 0.013 0.000 0.286 217 I C -0.798 175.554 176.117 0.391 0.000 1.009 217 I CA -0.347 61.115 61.300 0.270 0.000 1.111 217 I CB 1.792 39.954 38.000 0.270 0.000 1.262 217 I HN 0.492 nan 8.210 nan 0.000 0.443 218 D N 8.172 128.799 120.400 0.380 0.000 2.381 218 D HA 0.523 5.171 4.640 0.013 0.000 0.235 218 D C -1.153 175.500 176.300 0.588 0.000 1.068 218 D CA -0.062 54.175 54.000 0.394 0.000 0.832 218 D CB 1.273 42.211 40.800 0.231 0.000 1.101 218 D HN 0.265 nan 8.370 nan 0.000 0.515 219 F N 0.635 120.747 119.950 0.271 0.000 2.685 219 F HA 0.878 5.412 4.527 0.012 0.000 0.315 219 F C -0.545 175.226 175.800 -0.048 0.000 1.126 219 F CA -1.235 56.777 58.000 0.020 0.000 0.950 219 F CB 1.552 40.553 39.000 0.002 0.000 1.360 219 F HN 0.321 nan 8.300 nan 0.000 0.469 220 G N 0.286 108.882 108.800 -0.340 0.000 2.657 220 G HA2 0.687 4.655 3.960 0.013 0.000 0.303 220 G HA3 0.687 4.655 3.960 0.013 0.000 0.303 220 G C -1.902 172.883 174.900 -0.192 0.000 1.457 220 G CA -0.188 44.758 45.100 -0.258 0.000 0.982 220 G HN 1.123 nan 8.290 nan 0.000 0.583 221 A N 1.198 123.993 122.820 -0.041 0.000 2.252 221 A HA 0.969 5.297 4.320 0.013 0.000 0.305 221 A C 0.785 178.387 177.584 0.029 0.000 1.097 221 A CA 0.186 52.222 52.037 -0.001 0.000 0.849 221 A CB 0.939 19.968 19.000 0.048 0.000 1.142 221 A HN 1.910 nan 8.150 nan 0.000 0.499 222 T N -2.035 112.552 114.554 0.055 0.000 2.885 222 T HA 0.610 4.968 4.350 0.013 0.000 0.285 222 T C -1.159 173.647 174.700 0.176 0.000 1.019 222 T CA -0.396 61.755 62.100 0.085 0.000 1.010 222 T CB 1.230 70.114 68.868 0.026 0.000 1.022 222 T HN 0.862 nan 8.240 nan 0.000 0.466 223 Y N 0.746 121.075 120.300 0.048 0.000 2.362 223 Y HA 0.351 4.905 4.550 0.007 0.000 0.326 223 Y C 0.023 175.980 175.900 0.095 0.000 1.083 223 Y CA -0.922 57.210 58.100 0.053 0.000 1.073 223 Y CB 1.285 39.774 38.460 0.048 0.000 1.211 223 Y HN 1.033 nan 8.280 nan 0.000 0.433 224 E N 5.117 125.030 120.200 -0.477 0.000 2.360 224 E HA -0.377 3.981 4.350 0.013 0.000 0.238 224 E C 0.008 176.597 176.600 -0.019 0.000 1.186 224 E CA 0.920 57.139 56.400 -0.301 0.000 0.719 224 E CB -0.917 28.557 29.700 -0.376 0.000 1.236 224 E HN 0.877 nan 8.360 nan 0.000 0.386 225 N N -3.571 115.085 118.700 -0.074 0.000 2.972 225 N HA -0.210 4.538 4.740 0.013 0.000 0.225 225 N C -0.519 174.814 175.510 -0.296 0.000 0.883 225 N CA 1.832 54.781 53.050 -0.169 0.000 1.010 225 N CB -1.177 37.168 38.487 -0.236 0.000 1.052 225 N HN 0.355 nan 8.380 nan 0.000 0.598 226 Y N 0.647 120.951 120.300 0.006 0.000 2.376 226 Y HA 0.480 5.037 4.550 0.011 0.000 0.325 226 Y C 1.045 176.977 175.900 0.053 0.000 1.199 226 Y CA -0.523 57.599 58.100 0.036 0.000 1.206 226 Y CB 1.189 39.678 38.460 0.048 0.000 1.229 226 Y HN 0.003 nan 8.280 nan 0.000 0.480 227 C N 1.665 121.059 119.300 0.156 0.000 2.399 227 C HA 0.925 5.392 4.460 0.013 0.000 0.348 227 C C 0.235 175.295 174.990 0.117 0.000 1.183 227 C CA -0.913 58.175 59.018 0.118 0.000 2.023 227 C CB 0.669 28.467 27.740 0.097 0.000 2.361 227 C HN 0.899 nan 8.230 nan 0.000 0.521 228 A N 0.940 123.810 122.820 0.084 0.000 2.356 228 A HA 0.782 5.109 4.320 0.013 0.000 0.323 228 A C -1.201 176.431 177.584 0.080 0.000 1.119 228 A CA -0.120 51.939 52.037 0.036 0.000 0.790 228 A CB 1.046 20.034 19.000 -0.020 0.000 1.273 228 A HN 0.842 nan 8.150 nan 0.000 0.452 229 D N 1.308 121.723 120.400 0.026 0.000 2.375 229 D HA 0.492 5.140 4.640 0.013 0.000 0.241 229 D C -1.347 174.887 176.300 -0.109 0.000 1.361 229 D CA 0.064 54.122 54.000 0.097 0.000 0.995 229 D CB 0.563 41.442 40.800 0.131 0.000 1.312 229 D HN 0.424 nan 8.370 nan 0.000 0.576 230 I N 1.516 121.885 120.570 -0.335 0.000 2.608 230 I HA 0.461 4.639 4.170 0.013 0.000 0.295 230 I C -0.178 175.711 176.117 -0.382 0.000 1.049 230 I CA -0.652 60.360 61.300 -0.480 0.000 1.063 230 I CB 2.581 40.082 38.000 -0.833 0.000 1.248 230 I HN 0.078 nan 8.210 nan 0.000 0.424 231 T N 4.995 119.474 114.554 -0.125 0.000 2.879 231 T HA 0.586 4.944 4.350 0.013 0.000 0.290 231 T C -0.490 174.257 174.700 0.079 0.000 0.993 231 T CA -0.826 61.307 62.100 0.055 0.000 0.975 231 T CB 1.661 70.582 68.868 0.088 0.000 0.981 231 T HN 0.383 nan 8.240 nan 0.000 0.439 232 R N 1.362 121.943 120.500 0.135 0.000 2.855 232 R HA 0.773 5.121 4.340 0.013 0.000 0.266 232 R C -1.310 175.136 176.300 0.244 0.000 1.034 232 R CA -0.800 55.392 56.100 0.153 0.000 0.944 232 R CB 1.951 32.225 30.300 -0.043 0.000 1.219 232 R HN 0.427 nan 8.270 nan 0.000 0.474 233 V N 1.325 121.435 119.914 0.327 0.000 2.513 233 V HA 0.528 4.656 4.120 0.013 0.000 0.299 233 V C -0.187 176.108 176.094 0.335 0.000 1.035 233 V CA -0.770 61.701 62.300 0.284 0.000 0.889 233 V CB 2.130 34.094 31.823 0.234 0.000 0.988 233 V HN 0.380 nan 8.190 nan 0.000 0.440 234 V N 2.854 122.908 119.914 0.234 0.000 2.769 234 V HA 0.702 4.830 4.120 0.013 0.000 0.312 234 V C -0.170 175.981 176.094 0.096 0.000 1.061 234 V CA -0.398 62.020 62.300 0.196 0.000 0.931 234 V CB 2.234 34.130 31.823 0.122 0.000 1.010 234 V HN 0.866 nan 8.190 nan 0.000 0.433 235 S N 3.671 119.408 115.700 0.061 0.000 2.594 235 S HA 0.585 5.062 4.470 0.013 0.000 0.296 235 S C -0.854 173.746 174.600 0.000 0.000 1.124 235 S CA -0.635 57.568 58.200 0.005 0.000 1.011 235 S CB 0.910 64.089 63.200 -0.036 0.000 1.016 235 S HN 0.478 nan 8.310 nan 0.000 0.485 236 I N 4.951 125.515 120.570 -0.009 0.000 2.311 236 I HA 0.424 4.602 4.170 0.013 0.000 0.297 236 I C 1.220 177.324 176.117 -0.020 0.000 1.131 236 I CA 0.781 62.074 61.300 -0.012 0.000 1.289 236 I CB -0.833 37.161 38.000 -0.011 0.000 1.446 236 I HN 0.994 nan 8.210 nan 0.000 0.524 237 G N 5.615 114.403 108.800 -0.020 0.000 2.663 237 G HA2 -0.154 3.814 3.960 0.013 0.000 0.686 237 G HA3 -0.154 3.814 3.960 0.013 0.000 0.686 237 G C -0.359 174.520 174.900 -0.036 0.000 1.288 237 G CA -0.897 44.188 45.100 -0.025 0.000 0.836 237 G HN 0.607 nan 8.290 nan 0.000 0.584 238 E N 1.364 121.542 120.200 -0.038 0.000 2.480 238 E HA 0.399 4.757 4.350 0.013 0.000 0.258 238 E C -0.998 175.564 176.600 -0.064 0.000 0.984 238 E CA -0.528 55.843 56.400 -0.048 0.000 0.930 238 E CB 0.459 30.134 29.700 -0.041 0.000 0.936 238 E HN 0.474 nan 8.360 nan 0.000 0.466 239 P HA 0.069 nan 4.420 nan 0.000 0.274 239 P C -0.695 176.541 177.300 -0.106 0.000 1.231 239 P CA -0.507 62.523 63.100 -0.116 0.000 0.790 239 P CB 0.993 32.606 31.700 -0.145 0.000 0.951 240 S N 0.589 116.213 115.700 -0.127 0.000 2.589 240 S HA 0.042 4.520 4.470 0.013 0.000 0.265 240 S C 0.889 175.445 174.600 -0.073 0.000 1.342 240 S CA -0.237 57.909 58.200 -0.090 0.000 1.005 240 S CB 0.132 63.276 63.200 -0.093 0.000 0.909 240 S HN 0.373 nan 8.310 nan 0.000 0.555 241 D N 0.578 120.959 120.400 -0.032 0.000 2.178 241 D HA -0.123 4.525 4.640 0.013 0.000 0.201 241 D C 1.728 178.035 176.300 0.012 0.000 0.980 241 D CA 1.489 55.485 54.000 -0.008 0.000 0.842 241 D CB -0.299 40.507 40.800 0.009 0.000 0.948 241 D HN 0.885 nan 8.370 nan 0.000 0.472 242 E N 0.686 120.898 120.200 0.021 0.000 2.072 242 E HA -0.126 4.231 4.350 0.013 0.000 0.191 242 E C 2.069 178.713 176.600 0.074 0.000 0.985 242 E CA 0.655 57.107 56.400 0.086 0.000 0.801 242 E CB 0.188 29.974 29.700 0.143 0.000 0.750 242 E HN -0.018 nan 8.360 nan 0.000 0.452 243 V N 1.517 121.361 119.914 -0.116 0.000 2.343 243 V HA -0.256 3.871 4.120 0.013 0.000 0.247 243 V C 2.316 178.380 176.094 -0.050 0.000 1.051 243 V CA 2.098 64.236 62.300 -0.271 0.000 1.036 243 V CB -0.424 31.096 31.823 -0.506 0.000 0.654 243 V HN 0.248 nan 8.190 nan 0.000 0.451 244 K N -0.223 120.151 120.400 -0.044 0.000 2.063 244 K HA -0.253 4.075 4.320 0.013 0.000 0.208 244 K C 2.204 178.854 176.600 0.084 0.000 1.048 244 K CA 1.773 58.064 56.287 0.007 0.000 0.928 244 K CB -0.182 32.308 32.500 -0.017 0.000 0.713 244 K HN 0.389 nan 8.250 nan 0.000 0.442 245 E N 1.006 121.246 120.200 0.066 0.000 2.051 245 E HA -0.137 4.220 4.350 0.013 0.000 0.192 245 E C 1.809 178.432 176.600 0.038 0.000 0.991 245 E CA 1.154 57.595 56.400 0.069 0.000 0.799 245 E CB -0.156 29.592 29.700 0.079 0.000 0.748 245 E HN 0.004 nan 8.360 nan 0.000 0.449 246 V N 1.304 121.235 119.914 0.028 0.000 2.407 246 V HA -0.258 3.870 4.120 0.013 0.000 0.248 246 V C 2.542 178.642 176.094 0.010 0.000 1.055 246 V CA 2.141 64.396 62.300 -0.074 0.000 1.049 246 V CB -0.824 31.015 31.823 0.028 0.000 0.662 246 V HN 0.523 nan 8.190 nan 0.000 0.455 247 H N -0.128 118.946 119.070 0.007 0.000 2.353 247 H HA -0.159 4.405 4.556 0.013 0.000 0.300 247 H C 2.569 177.909 175.328 0.020 0.000 1.090 247 H CA 1.998 58.055 56.048 0.016 0.000 1.327 247 H CB -0.001 29.768 29.762 0.011 0.000 1.383 247 H HN 0.450 nan 8.280 nan 0.000 0.508 248 S N 0.009 115.748 115.700 0.066 0.000 2.382 248 S HA -0.069 4.409 4.470 0.013 0.000 0.228 248 S C 2.418 177.031 174.600 0.021 0.000 1.027 248 S CA 1.082 59.300 58.200 0.030 0.000 0.991 248 S CB -0.310 62.948 63.200 0.096 0.000 0.823 248 S HN 0.455 nan 8.310 nan 0.000 0.469 249 I N 0.916 121.516 120.570 0.050 0.000 2.252 249 I HA -0.111 4.067 4.170 0.013 0.000 0.245 249 I C 2.287 178.494 176.117 0.149 0.000 1.102 249 I CA 0.883 62.280 61.300 0.161 0.000 1.385 249 I CB -0.424 37.580 38.000 0.008 0.000 1.064 249 I HN 0.199 nan 8.210 nan 0.000 0.414 250 V N 0.748 120.662 119.914 -0.000 0.000 2.343 250 V HA -0.274 3.854 4.120 0.013 0.000 0.247 250 V C 2.406 178.466 176.094 -0.056 0.000 1.051 250 V CA 1.589 63.882 62.300 -0.013 0.000 1.036 250 V CB -0.517 31.262 31.823 -0.073 0.000 0.654 250 V HN 0.341 nan 8.190 nan 0.000 0.451 251 L N 0.420 121.542 121.223 -0.169 0.000 2.046 251 L HA -0.146 4.201 4.340 0.013 0.000 0.208 251 L C 2.409 179.207 176.870 -0.119 0.000 1.077 251 L CA 2.258 56.998 54.840 -0.168 0.000 0.747 251 L CB -0.820 41.094 42.059 -0.241 0.000 0.896 251 L HN 0.393 nan 8.230 nan 0.000 0.432 252 E N -0.253 119.878 120.200 -0.116 0.000 2.106 252 E HA -0.139 4.218 4.350 0.013 0.000 0.192 252 E C 2.102 178.453 176.600 -0.414 0.000 0.984 252 E CA 1.429 57.666 56.400 -0.272 0.000 0.806 252 E CB -0.336 29.177 29.700 -0.311 0.000 0.750 252 E HN 0.512 nan 8.360 nan 0.000 0.458 253 A N 0.583 123.284 122.820 -0.198 0.000 1.902 253 A HA -0.242 4.086 4.320 0.013 0.000 0.217 253 A C 2.253 179.807 177.584 -0.050 0.000 1.181 253 A CA 1.792 53.787 52.037 -0.070 0.000 0.623 253 A CB -0.704 18.421 19.000 0.207 0.000 0.818 253 A HN 0.428 nan 8.150 nan 0.000 0.443 254 Q N -0.306 119.478 119.800 -0.026 0.000 2.084 254 Q HA -0.222 4.126 4.340 0.013 0.000 0.202 254 Q C 1.880 177.857 176.000 -0.038 0.000 0.978 254 Q CA 1.832 57.631 55.803 -0.006 0.000 0.844 254 Q CB -0.161 28.571 28.738 -0.010 0.000 0.898 254 Q HN 0.797 nan 8.270 nan 0.000 0.426 255 E N -0.128 120.020 120.200 -0.087 0.000 2.150 255 E HA -0.163 4.195 4.350 0.013 0.000 0.193 255 E C 2.128 178.670 176.600 -0.098 0.000 0.985 255 E CA 0.613 56.959 56.400 -0.089 0.000 0.814 255 E CB -0.015 29.620 29.700 -0.109 0.000 0.752 255 E HN 0.309 nan 8.360 nan 0.000 0.466 256 R N 0.491 120.902 120.500 -0.148 0.000 2.092 256 R HA -0.027 4.321 4.340 0.013 0.000 0.231 256 R C 2.338 178.607 176.300 -0.051 0.000 1.119 256 R CA 0.996 57.017 56.100 -0.130 0.000 0.970 256 R CB -0.185 29.990 30.300 -0.209 0.000 0.864 256 R HN 0.092 nan 8.270 nan 0.000 0.440 257 A N 1.228 124.036 122.820 -0.020 0.000 1.897 257 A HA -0.070 4.258 4.320 0.013 0.000 0.215 257 A C 2.152 179.760 177.584 0.040 0.000 1.181 257 A CA 0.892 52.946 52.037 0.029 0.000 0.620 257 A CB -0.414 18.625 19.000 0.065 0.000 0.821 257 A HN 0.149 nan 8.150 nan 0.000 0.443 258 L N -0.637 120.601 121.223 0.024 0.000 2.131 258 L HA -0.179 4.169 4.340 0.013 0.000 0.210 258 L C 2.390 179.267 176.870 0.011 0.000 1.092 258 L CA 1.427 56.281 54.840 0.024 0.000 0.759 258 L CB -0.358 41.699 42.059 -0.003 0.000 0.903 258 L HN 0.346 nan 8.230 nan 0.000 0.435 259 K N 0.372 120.768 120.400 -0.007 0.000 2.288 259 K HA -0.077 4.251 4.320 0.013 0.000 0.201 259 K C 1.768 178.370 176.600 0.002 0.000 1.048 259 K CA 1.149 57.430 56.287 -0.010 0.000 0.956 259 K CB 0.011 32.495 32.500 -0.027 0.000 0.746 259 K HN 0.486 nan 8.250 nan 0.000 0.461 260 I N -3.187 117.391 120.570 0.013 0.000 3.956 260 I HA 0.243 4.421 4.170 0.013 0.000 0.333 260 I C 0.409 176.547 176.117 0.035 0.000 1.302 260 I CA -0.538 60.773 61.300 0.018 0.000 1.122 260 I CB 0.414 38.422 38.000 0.013 0.000 1.013 260 I HN -0.245 nan 8.210 nan 0.000 0.405 261 A N 3.217 126.072 122.820 0.058 0.000 2.444 261 A HA 0.504 4.832 4.320 0.013 0.000 0.273 261 A C 0.146 177.778 177.584 0.079 0.000 1.136 261 A CA 0.093 52.191 52.037 0.101 0.000 0.799 261 A CB -0.146 18.961 19.000 0.179 0.000 1.081 261 A HN 0.668 nan 8.150 nan 0.000 0.509 262 K N 1.210 121.655 120.400 0.075 0.000 2.607 262 K HA 0.702 5.030 4.320 0.013 0.000 0.287 262 K C -0.472 176.161 176.600 0.055 0.000 0.996 262 K CA -0.515 55.805 56.287 0.055 0.000 0.876 262 K CB 1.177 33.696 32.500 0.031 0.000 1.496 262 K HN 0.899 nan 8.250 nan 0.000 0.415 263 A N 0.446 123.294 122.820 0.047 0.000 2.567 263 A HA 0.411 4.739 4.320 0.013 0.000 0.240 263 A C 1.298 178.897 177.584 0.025 0.000 1.053 263 A CA 1.455 53.516 52.037 0.040 0.000 0.755 263 A CB -1.186 17.833 19.000 0.031 0.000 0.978 263 A HN 1.598 nan 8.150 nan 0.000 0.507 264 G N 0.862 109.673 108.800 0.018 0.000 2.284 264 G HA2 -0.134 3.834 3.960 0.013 0.000 0.216 264 G HA3 -0.134 3.834 3.960 0.013 0.000 0.216 264 G C 0.613 175.510 174.900 -0.004 0.000 1.009 264 G CA 0.196 45.299 45.100 0.005 0.000 0.625 264 G HN 1.878 nan 8.290 nan 0.000 0.501 265 V N 2.752 122.666 119.914 0.001 0.000 3.096 265 V HA 0.595 4.722 4.120 0.013 0.000 0.306 265 V C 1.137 177.206 176.094 -0.041 0.000 1.088 265 V CA 1.241 63.532 62.300 -0.014 0.000 1.129 265 V CB 1.401 33.225 31.823 0.002 0.000 1.014 265 V HN 1.168 nan 8.190 nan 0.000 0.486 266 T N 2.330 116.849 114.554 -0.059 0.000 2.940 266 T HA 0.543 4.901 4.350 0.013 0.000 0.288 266 T C 1.112 175.741 174.700 -0.119 0.000 1.033 266 T CA -0.088 61.960 62.100 -0.087 0.000 1.033 266 T CB 1.471 70.290 68.868 -0.083 0.000 1.079 266 T HN 0.924 nan 8.240 nan 0.000 0.496 267 G N 0.468 109.177 108.800 -0.151 0.000 2.442 267 G HA2 -0.209 3.759 3.960 0.013 0.000 0.219 267 G HA3 -0.209 3.759 3.960 0.013 0.000 0.219 267 G C 1.313 176.152 174.900 -0.101 0.000 1.141 267 G CA 0.964 45.959 45.100 -0.174 0.000 0.763 267 G HN 0.866 nan 8.290 nan 0.000 0.554 268 K N -0.346 119.993 120.400 -0.102 0.000 2.032 268 K HA -0.073 4.255 4.320 0.013 0.000 0.209 268 K C 2.383 178.954 176.600 -0.049 0.000 1.048 268 K CA 1.261 57.486 56.287 -0.103 0.000 0.927 268 K CB -0.267 32.112 32.500 -0.201 0.000 0.712 268 K HN 0.253 nan 8.250 nan 0.000 0.441 269 L N 1.503 122.694 121.223 -0.053 0.000 2.056 269 L HA -0.106 4.241 4.340 0.013 0.000 0.207 269 L C 1.974 178.846 176.870 0.004 0.000 1.078 269 L CA 1.431 56.258 54.840 -0.022 0.000 0.749 269 L CB -0.332 41.711 42.059 -0.027 0.000 0.901 269 L HN 0.237 nan 8.230 nan 0.000 0.433 270 L N -0.697 120.520 121.223 -0.010 0.000 2.017 270 L HA -0.239 4.109 4.340 0.013 0.000 0.208 270 L C 2.293 179.198 176.870 0.058 0.000 1.073 270 L CA 1.816 56.665 54.840 0.014 0.000 0.745 270 L CB -0.754 41.290 42.059 -0.025 0.000 0.894 270 L HN 0.357 nan 8.230 nan 0.000 0.432 271 D N -0.256 120.187 120.400 0.071 0.000 2.144 271 D HA -0.205 4.443 4.640 0.013 0.000 0.199 271 D C 2.267 178.667 176.300 0.167 0.000 0.984 271 D CA 1.425 55.520 54.000 0.159 0.000 0.834 271 D CB 0.126 41.032 40.800 0.176 0.000 0.955 271 D HN 0.302 nan 8.370 nan 0.000 0.465 272 S N -0.274 115.503 115.700 0.128 0.000 2.382 272 S HA -0.198 4.280 4.470 0.013 0.000 0.228 272 S C 2.316 176.950 174.600 0.056 0.000 1.027 272 S CA 1.646 59.913 58.200 0.111 0.000 0.991 272 S CB -1.101 62.157 63.200 0.097 0.000 0.823 272 S HN 0.310 nan 8.310 nan 0.000 0.469 273 V N 0.341 120.285 119.914 0.050 0.000 2.427 273 V HA 0.144 4.271 4.120 0.013 0.000 0.248 273 V C 2.767 178.888 176.094 0.045 0.000 1.051 273 V CA 1.315 63.639 62.300 0.040 0.000 1.048 273 V CB -1.758 30.081 31.823 0.027 0.000 0.666 273 V HN 0.576 nan 8.190 nan 0.000 0.456 274 A N 0.798 123.644 122.820 0.045 0.000 1.897 274 A HA -0.109 4.219 4.320 0.013 0.000 0.215 274 A C 2.518 179.995 177.584 -0.177 0.000 1.181 274 A CA 1.730 53.790 52.037 0.039 0.000 0.620 274 A CB -0.656 18.436 19.000 0.153 0.000 0.821 274 A HN 0.574 nan 8.150 nan 0.000 0.443 275 R N 0.074 120.386 120.500 -0.314 0.000 2.091 275 R HA -0.180 4.168 4.340 0.013 0.000 0.238 275 R C 1.949 178.062 176.300 -0.313 0.000 1.136 275 R CA 1.917 57.650 56.100 -0.611 0.000 0.959 275 R CB -0.315 29.831 30.300 -0.257 0.000 0.856 275 R HN 0.676 nan 8.270 nan 0.000 0.437 276 E N -0.389 119.743 120.200 -0.113 0.000 2.077 276 E HA -0.211 4.146 4.350 0.013 0.000 0.193 276 E C 1.775 178.360 176.600 -0.026 0.000 0.989 276 E CA 1.377 57.748 56.400 -0.049 0.000 0.800 276 E CB -0.266 29.441 29.700 0.012 0.000 0.746 276 E HN 0.307 nan 8.360 nan 0.000 0.452 277 F N 1.586 121.472 119.950 -0.107 0.000 2.075 277 F HA -0.180 4.354 4.527 0.013 0.000 0.297 277 F C 2.014 177.772 175.800 -0.069 0.000 1.113 277 F CA 1.382 59.340 58.000 -0.071 0.000 1.218 277 F CB -0.181 38.785 39.000 -0.057 0.000 0.984 277 F HN -0.102 nan 8.300 nan 0.000 0.472 278 I N 1.014 121.469 120.570 -0.192 0.000 2.226 278 I HA -0.300 3.877 4.170 0.013 0.000 0.245 278 I C 2.654 178.664 176.117 -0.179 0.000 1.100 278 I CA 1.671 62.836 61.300 -0.226 0.000 1.374 278 I CB -0.567 37.331 38.000 -0.171 0.000 1.057 278 I HN 0.198 nan 8.210 nan 0.000 0.413 279 R N 1.207 121.590 120.500 -0.195 0.000 2.115 279 R HA -0.123 4.225 4.340 0.013 0.000 0.230 279 R C 1.624 177.841 176.300 -0.138 0.000 1.111 279 R CA 1.333 57.348 56.100 -0.142 0.000 0.976 279 R CB -0.568 29.646 30.300 -0.143 0.000 0.870 279 R HN 0.374 nan 8.270 nan 0.000 0.445 280 E N 0.591 120.693 120.200 -0.164 0.000 2.347 280 E HA -0.022 4.336 4.350 0.013 0.000 0.196 280 E C 1.270 177.769 176.600 -0.168 0.000 1.008 280 E CA 0.436 56.749 56.400 -0.145 0.000 0.852 280 E CB 0.285 29.913 29.700 -0.120 0.000 0.783 280 E HN 0.222 nan 8.360 nan 0.000 0.505 281 K N -0.639 119.625 120.400 -0.228 0.000 2.418 281 K HA 0.036 4.364 4.320 0.013 0.000 0.195 281 K C 1.208 177.762 176.600 -0.077 0.000 1.035 281 K CA 0.828 57.026 56.287 -0.149 0.000 1.003 281 K CB 0.820 33.211 32.500 -0.182 0.000 0.793 281 K HN 0.270 nan 8.250 nan 0.000 0.494 282 G N 0.600 109.326 108.800 -0.122 0.000 2.179 282 G HA2 -0.259 3.708 3.960 0.013 0.000 0.220 282 G HA3 -0.259 3.708 3.960 0.013 0.000 0.220 282 G C 0.278 175.000 174.900 -0.295 0.000 0.990 282 G CA -0.213 44.757 45.100 -0.217 0.000 0.646 282 G HN 0.313 nan 8.290 nan 0.000 0.517 283 Y N 1.108 121.400 120.300 -0.013 0.000 2.607 283 Y HA 0.397 4.955 4.550 0.013 0.000 0.266 283 Y C 2.386 178.304 175.900 0.031 0.000 1.178 283 Y CA 0.450 58.615 58.100 0.108 0.000 1.226 283 Y CB 0.418 38.975 38.460 0.162 0.000 1.144 283 Y HN 0.218 nan 8.280 nan 0.000 0.528 284 G N 0.227 109.030 108.800 0.004 0.000 2.450 284 G HA2 -0.247 3.721 3.960 0.013 0.000 0.220 284 G HA3 -0.247 3.721 3.960 0.013 0.000 0.220 284 G C 1.399 176.273 174.900 -0.043 0.000 1.130 284 G CA 0.842 45.924 45.100 -0.029 0.000 0.760 284 G HN 0.442 nan 8.290 nan 0.000 0.557 285 E N -0.525 119.514 120.200 -0.268 0.000 2.482 285 E HA 0.033 4.391 4.350 0.013 0.000 0.196 285 E C 0.917 177.293 176.600 -0.374 0.000 1.047 285 E CA 0.206 56.368 56.400 -0.397 0.000 0.869 285 E CB -0.032 29.290 29.700 -0.629 0.000 0.836 285 E HN 0.579 nan 8.360 nan 0.000 0.520 286 F N -0.764 119.294 119.950 0.179 0.000 2.682 286 F HA 0.184 4.719 4.527 0.013 0.000 0.308 286 F C 0.540 176.507 175.800 0.278 0.000 1.093 286 F CA -0.875 57.249 58.000 0.205 0.000 1.244 286 F CB 0.030 39.145 39.000 0.192 0.000 1.052 286 F HN -0.100 nan 8.300 nan 0.000 0.573 287 F N 1.787 121.874 119.950 0.228 0.000 2.518 287 F HA 0.501 5.036 4.527 0.013 0.000 0.359 287 F C 1.170 177.116 175.800 0.243 0.000 1.118 287 F CA -0.861 57.250 58.000 0.185 0.000 1.287 287 F CB 0.238 39.300 39.000 0.103 0.000 1.132 287 F HN 0.039 nan 8.300 nan 0.000 0.587 288 G N 3.742 112.308 108.800 -0.390 0.000 2.667 288 G HA2 -0.057 3.910 3.960 0.013 0.000 0.250 288 G HA3 -0.057 3.910 3.960 0.013 0.000 0.250 288 G C 0.958 175.617 174.900 -0.401 0.000 1.212 288 G CA -0.039 44.932 45.100 -0.215 0.000 0.874 288 G HN 0.938 nan 8.290 nan 0.000 0.561 289 H N -0.349 118.593 119.070 -0.213 0.000 2.321 289 H HA -0.061 4.503 4.556 0.013 0.000 0.300 289 H C 1.094 176.347 175.328 -0.125 0.000 1.087 289 H CA 1.627 57.590 56.048 -0.140 0.000 1.319 289 H CB 0.259 29.968 29.762 -0.089 0.000 1.379 289 H HN 0.485 nan 8.280 nan 0.000 0.501 290 S N -0.866 114.749 115.700 -0.141 0.000 2.627 290 S HA 0.240 4.718 4.470 0.013 0.000 0.283 290 S C 0.295 174.858 174.600 -0.060 0.000 1.127 290 S CA -0.808 57.332 58.200 -0.101 0.000 0.863 290 S CB 1.768 64.975 63.200 0.010 0.000 1.121 290 S HN 0.154 nan 8.310 nan 0.000 0.479 291 L N 0.962 122.202 121.223 0.029 0.000 2.375 291 L HA 0.581 4.929 4.340 0.013 0.000 0.215 291 L C 0.779 177.690 176.870 0.068 0.000 1.108 291 L CA 1.804 56.692 54.840 0.081 0.000 0.830 291 L CB -0.381 41.767 42.059 0.148 0.000 0.959 291 L HN 1.183 nan 8.230 nan 0.000 0.457 292 G N -2.250 106.585 108.800 0.059 0.000 2.320 292 G HA2 0.430 4.397 3.960 0.013 0.000 0.296 292 G HA3 0.430 4.397 3.960 0.013 0.000 0.296 292 G C -1.881 173.061 174.900 0.071 0.000 1.306 292 G CA -0.174 44.940 45.100 0.023 0.000 0.836 292 G HN 0.521 nan 8.290 nan 0.000 0.517 293 H N -2.420 116.725 119.070 0.125 0.000 3.017 293 H HA 0.766 5.330 4.556 0.012 0.000 0.346 293 H C 0.258 175.683 175.328 0.162 0.000 1.286 293 H CA -0.482 55.638 56.048 0.120 0.000 1.120 293 H CB 0.997 30.855 29.762 0.161 0.000 1.860 293 H HN 1.090 nan 8.280 nan 0.000 0.542 294 G N -0.041 108.939 108.800 0.299 0.000 2.537 294 G HA2 0.528 4.496 3.960 0.013 0.000 0.273 294 G HA3 0.528 4.496 3.960 0.013 0.000 0.273 294 G C -0.313 174.753 174.900 0.277 0.000 1.189 294 G CA -0.387 44.867 45.100 0.256 0.000 0.881 294 G HN 0.933 nan 8.290 nan 0.000 0.535 295 I N -2.102 118.577 120.570 0.181 0.000 3.095 295 I HA 0.979 5.157 4.170 0.013 0.000 0.310 295 I C 0.347 176.544 176.117 0.133 0.000 1.196 295 I CA -0.770 60.618 61.300 0.147 0.000 0.985 295 I CB 2.143 40.218 38.000 0.125 0.000 1.250 295 I HN 0.956 nan 8.210 nan 0.000 0.446 296 G N 1.989 110.867 108.800 0.131 0.000 2.570 296 G HA2 0.096 4.063 3.960 0.013 0.000 0.072 296 G HA3 0.096 4.063 3.960 0.013 0.000 0.072 296 G C 0.124 175.018 174.900 -0.009 0.000 1.030 296 G CA -0.340 44.884 45.100 0.208 0.000 1.277 296 G HN 0.573 nan 8.290 nan 0.000 0.559 297 L N 1.360 122.446 121.223 -0.227 0.000 2.362 297 L HA 0.254 4.602 4.340 0.013 0.000 0.219 297 L C 0.928 177.696 176.870 -0.169 0.000 1.134 297 L CA 1.098 55.712 54.840 -0.376 0.000 0.807 297 L CB -0.210 41.650 42.059 -0.332 0.000 0.927 297 L HN 0.359 nan 8.230 nan 0.000 0.447 298 E N -1.654 118.498 120.200 -0.080 0.000 2.336 298 E HA 0.125 4.483 4.350 0.013 0.000 0.267 298 E C -0.081 176.502 176.600 -0.028 0.000 0.906 298 E CA -0.386 55.989 56.400 -0.042 0.000 0.781 298 E CB 2.751 32.434 29.700 -0.029 0.000 1.261 298 E HN -0.261 nan 8.360 nan 0.000 0.436 299 V N 1.352 121.210 119.914 -0.093 0.000 3.306 299 V HA -0.010 4.118 4.120 0.013 0.000 0.264 299 V C -0.376 175.344 176.094 -0.623 0.000 1.149 299 V CA 1.090 63.231 62.300 -0.265 0.000 1.143 299 V CB -0.213 31.408 31.823 -0.336 0.000 0.767 299 V HN 0.498 nan 8.190 nan 0.000 0.476 300 H N 1.843 120.849 119.070 -0.108 0.000 2.761 300 H HA 0.503 5.067 4.556 0.014 0.000 0.263 300 H C -0.377 174.922 175.328 -0.049 0.000 1.292 300 H CA -0.279 55.670 56.048 -0.166 0.000 1.540 300 H CB 0.692 30.320 29.762 -0.223 0.000 1.569 300 H HN 0.727 nan 8.280 nan 0.000 0.510 301 E N 0.587 120.858 120.200 0.120 0.000 2.459 301 E HA 0.601 4.959 4.350 0.013 0.000 0.275 301 E C -0.059 176.601 176.600 0.101 0.000 0.987 301 E CA -1.591 54.856 56.400 0.079 0.000 0.828 301 E CB 1.255 30.980 29.700 0.041 0.000 1.428 301 E HN 0.304 nan 8.360 nan 0.000 0.457 302 G N 0.904 109.741 108.800 0.062 0.000 2.554 302 G HA2 0.368 4.335 3.960 0.013 0.000 0.238 302 G HA3 0.368 4.335 3.960 0.013 0.000 0.238 302 G C -2.215 172.737 174.900 0.087 0.000 1.259 302 G CA -0.760 44.374 45.100 0.058 0.000 0.843 302 G HN 0.410 nan 8.290 nan 0.000 0.582 303 P HA 0.437 nan 4.420 nan 0.000 0.287 303 P C -0.649 176.647 177.300 -0.006 0.000 1.270 303 P CA -0.399 62.703 63.100 0.003 0.000 0.844 303 P CB 1.783 33.446 31.700 -0.062 0.000 1.068 304 A N 3.583 126.395 122.820 -0.013 0.000 2.362 304 A HA 0.398 4.726 4.320 0.013 0.000 0.276 304 A C 0.443 177.985 177.584 -0.070 0.000 1.153 304 A CA -0.401 51.639 52.037 0.005 0.000 0.813 304 A CB -0.486 18.523 19.000 0.015 0.000 1.081 304 A HN 0.393 nan 8.150 nan 0.000 0.507 305 I N 3.881 124.409 120.570 -0.070 0.000 2.318 305 I HA 0.204 4.382 4.170 0.013 0.000 0.285 305 I C 0.611 176.710 176.117 -0.030 0.000 1.127 305 I CA 0.410 61.633 61.300 -0.128 0.000 1.243 305 I CB -1.094 36.800 38.000 -0.176 0.000 1.498 305 I HN 0.660 nan 8.210 nan 0.000 0.535 306 S N 2.394 118.081 115.700 -0.022 0.000 2.661 306 S HA 0.463 4.941 4.470 0.013 0.000 0.285 306 S C 0.591 175.222 174.600 0.052 0.000 1.138 306 S CA -0.649 57.565 58.200 0.023 0.000 0.855 306 S CB 1.705 64.906 63.200 0.003 0.000 1.136 306 S HN 0.241 nan 8.310 nan 0.000 0.484 307 F N 1.551 121.469 119.950 -0.052 0.000 2.192 307 F HA 0.013 4.548 4.527 0.013 0.000 0.301 307 F C 2.236 178.015 175.800 -0.035 0.000 1.079 307 F CA 1.551 59.532 58.000 -0.033 0.000 1.303 307 F CB -0.101 38.879 39.000 -0.034 0.000 1.024 307 F HN 0.599 nan 8.300 nan 0.000 0.494 308 R N -0.614 119.877 120.500 -0.016 0.000 2.276 308 R HA -0.006 4.342 4.340 0.013 0.000 0.196 308 R C 0.198 176.435 176.300 -0.106 0.000 0.961 308 R CA 0.268 56.318 56.100 -0.084 0.000 1.024 308 R CB -0.387 29.928 30.300 0.025 0.000 0.940 308 R HN 0.071 nan 8.270 nan 0.000 0.480 309 N N 2.045 120.688 118.700 -0.095 0.000 2.521 309 N HA -0.028 4.720 4.740 0.013 0.000 0.236 309 N C -0.922 174.521 175.510 -0.112 0.000 1.067 309 N CA -0.297 52.700 53.050 -0.088 0.000 0.939 309 N CB 0.822 39.266 38.487 -0.072 0.000 1.201 309 N HN 0.090 nan 8.380 nan 0.000 0.511 310 D N -0.098 120.236 120.400 -0.111 0.000 2.460 310 D HA 0.107 4.755 4.640 0.013 0.000 0.229 310 D C -0.574 175.679 176.300 -0.078 0.000 1.170 310 D CA -0.342 53.593 54.000 -0.108 0.000 0.827 310 D CB -0.062 40.667 40.800 -0.119 0.000 0.973 310 D HN 0.033 nan 8.370 nan 0.000 0.496 311 S N 1.589 117.247 115.700 -0.070 0.000 2.489 311 S HA 0.352 4.830 4.470 0.013 0.000 0.277 311 S C -2.391 172.178 174.600 -0.052 0.000 1.230 311 S CA -1.110 57.059 58.200 -0.053 0.000 1.053 311 S CB 1.151 64.325 63.200 -0.044 0.000 0.955 311 S HN 0.106 nan 8.310 nan 0.000 0.488 312 P HA 0.132 nan 4.420 nan 0.000 0.267 312 P C -0.948 176.339 177.300 -0.023 0.000 1.205 312 P CA 0.005 63.087 63.100 -0.030 0.000 0.765 312 P CB 0.278 31.965 31.700 -0.020 0.000 0.828 313 L N 6.464 127.675 121.223 -0.021 0.000 2.276 313 L HA 0.420 4.768 4.340 0.013 0.000 0.286 313 L C -1.731 175.157 176.870 0.029 0.000 1.061 313 L CA -2.086 52.754 54.840 -0.001 0.000 0.807 313 L CB 1.005 43.054 42.059 -0.015 0.000 1.177 313 L HN 0.224 nan 8.230 nan 0.000 0.429 314 P HA 0.124 nan 4.420 nan 0.000 0.278 314 P C -0.947 176.386 177.300 0.055 0.000 1.266 314 P CA -0.695 62.427 63.100 0.038 0.000 0.807 314 P CB 0.721 32.439 31.700 0.030 0.000 1.094 315 E N 0.648 120.874 120.200 0.043 0.000 2.404 315 E HA 0.010 4.368 4.350 0.013 0.000 0.261 315 E C -0.070 176.555 176.600 0.043 0.000 1.074 315 E CA -0.415 56.011 56.400 0.043 0.000 0.917 315 E CB -0.368 29.348 29.700 0.026 0.000 0.965 315 E HN 0.316 nan 8.360 nan 0.000 0.433 316 N N -0.852 117.869 118.700 0.036 0.000 2.925 316 N HA -0.160 4.588 4.740 0.013 0.000 0.244 316 N C -0.164 175.374 175.510 0.047 0.000 1.000 316 N CA 1.055 54.121 53.050 0.026 0.000 0.895 316 N CB -2.057 36.441 38.487 0.019 0.000 1.119 316 N HN 0.549 nan 8.380 nan 0.000 0.569 317 V N -1.875 118.093 119.914 0.090 0.000 2.834 317 V HA 0.681 4.809 4.120 0.013 0.000 0.301 317 V C 0.908 177.076 176.094 0.123 0.000 1.066 317 V CA -0.581 61.801 62.300 0.138 0.000 1.052 317 V CB 2.032 33.980 31.823 0.209 0.000 1.021 317 V HN -0.058 nan 8.190 nan 0.000 0.480 318 V N 5.365 125.352 119.914 0.122 0.000 2.487 318 V HA 0.756 4.884 4.120 0.013 0.000 0.298 318 V C -0.341 175.818 176.094 0.109 0.000 1.028 318 V CA -0.242 62.058 62.300 0.001 0.000 0.860 318 V CB 0.811 32.635 31.823 0.001 0.000 0.991 318 V HN 1.051 nan 8.190 nan 0.000 0.427 319 F N 1.270 121.207 119.950 -0.022 0.000 2.715 319 F HA 0.909 5.444 4.527 0.013 0.000 0.318 319 F C -0.133 175.600 175.800 -0.111 0.000 1.141 319 F CA -0.889 57.077 58.000 -0.057 0.000 0.950 319 F CB 1.552 40.529 39.000 -0.038 0.000 1.374 319 F HN 0.452 nan 8.300 nan 0.000 0.477 320 T N -0.770 113.841 114.554 0.096 0.000 2.945 320 T HA 0.776 5.133 4.350 0.013 0.000 0.286 320 T C -1.229 173.541 174.700 0.116 0.000 1.025 320 T CA -0.742 61.324 62.100 -0.056 0.000 1.039 320 T CB 1.603 70.273 68.868 -0.331 0.000 1.068 320 T HN 0.752 nan 8.240 nan 0.000 0.497 321 V N 3.097 123.046 119.914 0.057 0.000 2.357 321 V HA 0.446 4.574 4.120 0.013 0.000 0.281 321 V C -0.348 175.775 176.094 0.048 0.000 1.015 321 V CA -0.705 61.655 62.300 0.099 0.000 0.827 321 V CB 0.818 32.707 31.823 0.109 0.000 1.018 321 V HN 1.095 nan 8.190 nan 0.000 0.432 322 E N 4.957 125.192 120.200 0.059 0.000 3.352 322 E HA 0.358 4.716 4.350 0.013 0.000 0.254 322 E C -3.023 173.628 176.600 0.085 0.000 1.229 322 E CA -1.636 54.800 56.400 0.060 0.000 0.949 322 E CB 1.737 31.467 29.700 0.049 0.000 1.373 322 E HN 0.454 nan 8.360 nan 0.000 0.392 323 P HA 0.225 nan 4.420 nan 0.000 0.272 323 P C 0.086 177.441 177.300 0.091 0.000 1.223 323 P CA 0.220 63.425 63.100 0.175 0.000 0.784 323 P CB 1.478 33.351 31.700 0.288 0.000 0.923 324 G N 1.289 110.113 108.800 0.040 0.000 2.667 324 G HA2 0.655 4.623 3.960 0.013 0.000 0.298 324 G HA3 0.655 4.623 3.960 0.013 0.000 0.298 324 G C -1.532 173.205 174.900 -0.272 0.000 1.377 324 G CA -0.674 44.324 45.100 -0.170 0.000 0.964 324 G HN 0.417 nan 8.290 nan 0.000 0.493 325 I N 1.086 121.322 120.570 -0.557 0.000 2.447 325 I HA 0.329 4.507 4.170 0.013 0.000 0.287 325 I C -1.373 174.370 176.117 -0.625 0.000 1.023 325 I CA -0.753 60.358 61.300 -0.314 0.000 1.083 325 I CB 2.039 39.947 38.000 -0.154 0.000 1.245 325 I HN 0.406 nan 8.210 nan 0.000 0.434 326 Y N 6.422 126.753 120.300 0.051 0.000 2.326 326 Y HA 0.473 5.031 4.550 0.013 0.000 0.331 326 Y C -0.602 175.193 175.900 -0.175 0.000 0.962 326 Y CA -0.944 57.123 58.100 -0.054 0.000 1.167 326 Y CB 1.418 39.897 38.460 0.031 0.000 1.148 326 Y HN 0.316 nan 8.280 nan 0.000 0.463 327 L N 4.230 125.223 121.223 -0.384 0.000 2.288 327 L HA 0.278 4.626 4.340 0.013 0.000 0.283 327 L C 0.124 176.851 176.870 -0.239 0.000 1.072 327 L CA -0.594 53.881 54.840 -0.609 0.000 0.862 327 L CB 0.252 41.768 42.059 -0.905 0.000 1.245 327 L HN 0.550 nan 8.230 nan 0.000 0.432 328 E N 2.658 122.839 120.200 -0.032 0.000 2.652 328 E HA 0.144 4.502 4.350 0.013 0.000 0.255 328 E C 1.190 177.795 176.600 0.007 0.000 0.952 328 E CA 0.834 57.257 56.400 0.037 0.000 0.947 328 E CB 0.194 29.955 29.700 0.101 0.000 0.912 328 E HN 0.851 nan 8.360 nan 0.000 0.489 329 G N 2.952 111.765 108.800 0.023 0.000 2.184 329 G HA2 -0.361 3.607 3.960 0.013 0.000 0.264 329 G HA3 -0.361 3.607 3.960 0.013 0.000 0.264 329 G C 0.643 175.565 174.900 0.036 0.000 0.975 329 G CA 0.968 46.086 45.100 0.031 0.000 0.642 329 G HN 0.554 nan 8.290 nan 0.000 0.536 330 K N -1.512 118.898 120.400 0.016 0.000 2.550 330 K HA 0.601 4.928 4.320 0.013 0.000 0.225 330 K C 0.402 177.131 176.600 0.215 0.000 1.361 330 K CA 0.710 57.045 56.287 0.080 0.000 0.801 330 K CB 0.681 33.175 32.500 -0.010 0.000 1.698 330 K HN 0.830 nan 8.250 nan 0.000 0.411 331 F N -1.488 118.467 119.950 0.010 0.000 2.900 331 F HA 0.632 5.167 4.527 0.013 0.000 0.321 331 F C -1.171 174.651 175.800 0.036 0.000 1.160 331 F CA -1.179 56.839 58.000 0.030 0.000 0.890 331 F CB 0.914 39.922 39.000 0.012 0.000 1.334 331 F HN 0.068 nan 8.300 nan 0.000 0.459 332 G N 1.085 110.049 108.800 0.273 0.000 2.660 332 G HA2 0.731 4.699 3.960 0.013 0.000 0.294 332 G HA3 0.731 4.699 3.960 0.013 0.000 0.294 332 G C -2.310 172.690 174.900 0.166 0.000 1.369 332 G CA -1.038 44.118 45.100 0.092 0.000 0.912 332 G HN 0.659 nan 8.290 nan 0.000 0.479 333 I N 0.419 120.940 120.570 -0.082 0.000 2.534 333 I HA 0.563 4.741 4.170 0.013 0.000 0.288 333 I C -0.371 175.683 176.117 -0.103 0.000 1.077 333 I CA -0.674 60.640 61.300 0.022 0.000 1.051 333 I CB 2.105 40.166 38.000 0.103 0.000 1.234 333 I HN 0.659 nan 8.210 nan 0.000 0.425 334 R N 6.446 126.966 120.500 0.033 0.000 2.604 334 R HA 0.798 5.146 4.340 0.013 0.000 0.281 334 R C -1.968 174.385 176.300 0.088 0.000 1.020 334 R CA -0.516 55.612 56.100 0.047 0.000 0.899 334 R CB 2.324 32.705 30.300 0.136 0.000 1.205 334 R HN 0.606 nan 8.270 nan 0.000 0.450 335 I N 2.640 123.246 120.570 0.060 0.000 2.499 335 I HA 0.352 4.530 4.170 0.013 0.000 0.288 335 I C -0.805 175.334 176.117 0.037 0.000 1.048 335 I CA -0.662 60.672 61.300 0.058 0.000 1.062 335 I CB 2.172 40.187 38.000 0.025 0.000 1.238 335 I HN 0.613 nan 8.210 nan 0.000 0.426 336 E N 5.947 126.160 120.200 0.021 0.000 2.234 336 E HA 0.424 4.781 4.350 0.013 0.000 0.266 336 E C -1.302 175.273 176.600 -0.042 0.000 0.877 336 E CA -0.607 55.788 56.400 -0.009 0.000 0.758 336 E CB 1.791 31.482 29.700 -0.014 0.000 1.170 336 E HN 0.413 nan 8.360 nan 0.000 0.415 337 E N 2.611 122.784 120.200 -0.045 0.000 2.235 337 E HA 0.385 4.743 4.350 0.013 0.000 0.265 337 E C -1.175 175.367 176.600 -0.097 0.000 0.940 337 E CA -0.787 55.573 56.400 -0.066 0.000 0.819 337 E CB 1.456 31.122 29.700 -0.056 0.000 1.206 337 E HN 0.441 nan 8.360 nan 0.000 0.409 338 D N 0.800 121.131 120.400 -0.116 0.000 2.278 338 D HA 0.427 5.075 4.640 0.013 0.000 0.245 338 D C -0.377 175.805 176.300 -0.197 0.000 1.052 338 D CA -0.437 53.475 54.000 -0.147 0.000 0.834 338 D CB 1.788 42.523 40.800 -0.109 0.000 1.194 338 D HN 0.211 nan 8.370 nan 0.000 0.481 339 V N -0.807 118.906 119.914 -0.335 0.000 3.078 339 V HA 0.762 4.889 4.120 0.013 0.000 0.311 339 V C -0.857 174.941 176.094 -0.492 0.000 1.138 339 V CA -0.808 61.249 62.300 -0.405 0.000 1.007 339 V CB 2.076 33.611 31.823 -0.480 0.000 1.045 339 V HN 0.199 nan 8.190 nan 0.000 0.432 340 V N 3.598 123.315 119.914 -0.328 0.000 2.417 340 V HA 0.487 4.615 4.120 0.013 0.000 0.291 340 V C -0.135 175.848 176.094 -0.186 0.000 1.024 340 V CA -0.538 61.623 62.300 -0.232 0.000 0.861 340 V CB 1.316 33.066 31.823 -0.122 0.000 0.985 340 V HN 0.887 nan 8.190 nan 0.000 0.436 341 L N 6.363 127.526 121.223 -0.099 0.000 2.380 341 L HA 0.483 4.831 4.340 0.013 0.000 0.273 341 L C 0.113 176.993 176.870 0.017 0.000 1.138 341 L CA 0.757 55.614 54.840 0.027 0.000 0.832 341 L CB 0.293 42.472 42.059 0.201 0.000 1.124 341 L HN 0.553 nan 8.230 nan 0.000 0.454 342 K N 2.807 123.217 120.400 0.016 0.000 2.378 342 K HA 0.319 4.647 4.320 0.013 0.000 0.244 342 K C 0.672 177.283 176.600 0.018 0.000 1.039 342 K CA -0.817 55.475 56.287 0.009 0.000 0.863 342 K CB 1.080 33.576 32.500 -0.007 0.000 1.326 342 K HN 0.411 nan 8.250 nan 0.000 0.460 343 E N 0.959 121.166 120.200 0.011 0.000 2.118 343 E HA -0.158 4.200 4.350 0.013 0.000 0.195 343 E C 0.330 176.937 176.600 0.012 0.000 0.992 343 E CA 1.519 57.926 56.400 0.012 0.000 0.804 343 E CB 0.382 30.086 29.700 0.008 0.000 0.741 343 E HN 0.307 nan 8.360 nan 0.000 0.458 344 Q N -1.003 118.802 119.800 0.008 0.000 2.115 344 Q HA 0.395 4.743 4.340 0.013 0.000 0.249 344 Q C 0.389 176.393 176.000 0.007 0.000 0.830 344 Q CA 0.169 55.976 55.803 0.007 0.000 1.104 344 Q CB 1.712 30.452 28.738 0.003 0.000 1.207 344 Q HN 0.171 nan 8.270 nan 0.000 0.464 345 G N 0.361 109.168 108.800 0.011 0.000 2.404 345 G HA2 0.281 4.249 3.960 0.013 0.000 0.253 345 G HA3 0.281 4.249 3.960 0.013 0.000 0.253 345 G C -1.305 173.601 174.900 0.009 0.000 1.253 345 G CA -0.071 45.035 45.100 0.010 0.000 0.917 345 G HN 0.316 nan 8.290 nan 0.000 0.480 346 C N -1.372 117.923 119.300 -0.008 0.000 3.154 346 C HA 0.917 5.385 4.460 0.013 0.000 0.312 346 C C -0.614 174.342 174.990 -0.057 0.000 1.349 346 C CA -0.705 58.291 59.018 -0.036 0.000 1.518 346 C CB 1.497 29.208 27.740 -0.049 0.000 1.934 346 C HN 1.109 nan 8.230 nan 0.000 0.462 347 E N 1.036 121.183 120.200 -0.088 0.000 2.182 347 E HA 0.578 4.935 4.350 0.013 0.000 0.258 347 E C -1.213 175.322 176.600 -0.109 0.000 0.879 347 E CA -0.468 55.883 56.400 -0.081 0.000 0.754 347 E CB 0.943 30.600 29.700 -0.071 0.000 1.162 347 E HN 0.693 nan 8.360 nan 0.000 0.419 348 I N 6.141 126.658 120.570 -0.088 0.000 2.396 348 I HA 0.042 4.220 4.170 0.013 0.000 0.289 348 I C 1.122 177.192 176.117 -0.078 0.000 1.056 348 I CA -0.113 61.131 61.300 -0.094 0.000 1.365 348 I CB 0.918 38.877 38.000 -0.069 0.000 1.407 348 I HN 0.669 nan 8.210 nan 0.000 0.509 349 L N 4.595 125.764 121.223 -0.089 0.000 2.307 349 L HA 0.052 4.400 4.340 0.013 0.000 0.211 349 L C 1.163 178.000 176.870 -0.055 0.000 1.099 349 L CA 0.324 55.122 54.840 -0.070 0.000 0.816 349 L CB -0.467 41.546 42.059 -0.077 0.000 0.952 349 L HN 0.672 nan 8.230 nan 0.000 0.455 350 T N -2.818 111.700 114.554 -0.060 0.000 2.904 350 T HA 0.247 4.604 4.350 0.013 0.000 0.290 350 T C 0.886 175.573 174.700 -0.021 0.000 1.018 350 T CA 0.107 62.180 62.100 -0.045 0.000 1.075 350 T CB 1.596 70.429 68.868 -0.059 0.000 0.986 350 T HN 0.242 nan 8.240 nan 0.000 0.523 351 T N -1.424 113.131 114.554 0.002 0.000 3.009 351 T HA 0.267 4.624 4.350 0.013 0.000 0.267 351 T C 0.578 175.312 174.700 0.057 0.000 0.942 351 T CA -0.493 61.620 62.100 0.022 0.000 0.883 351 T CB -0.265 68.616 68.868 0.021 0.000 1.192 351 T HN 0.493 nan 8.240 nan 0.000 0.524 352 L N 2.799 124.070 121.223 0.080 0.000 2.514 352 L HA 0.266 4.614 4.340 0.013 0.000 0.280 352 L C -2.125 174.850 176.870 0.175 0.000 1.223 352 L CA -1.651 53.287 54.840 0.163 0.000 0.864 352 L CB 0.030 42.182 42.059 0.155 0.000 1.118 352 L HN 0.066 nan 8.230 nan 0.000 0.494 353 P HA 0.035 nan 4.420 nan 0.000 0.266 353 P C -0.139 177.228 177.300 0.113 0.000 1.195 353 P CA 0.167 63.316 63.100 0.080 0.000 0.768 353 P CB 0.485 32.153 31.700 -0.054 0.000 0.838 354 R N 0.587 121.130 120.500 0.071 0.000 2.300 354 R HA 0.088 4.436 4.340 0.013 0.000 0.199 354 R C 0.722 177.143 176.300 0.201 0.000 0.920 354 R CA 0.106 56.287 56.100 0.136 0.000 1.046 354 R CB -0.018 30.332 30.300 0.082 0.000 0.984 354 R HN 0.580 nan 8.270 nan 0.000 0.493 355 S N 0.535 116.249 115.700 0.022 0.000 2.584 355 S HA 0.159 4.637 4.470 0.013 0.000 0.270 355 S C 0.555 175.011 174.600 -0.240 0.000 1.346 355 S CA -0.583 57.572 58.200 -0.074 0.000 1.018 355 S CB 0.833 63.924 63.200 -0.182 0.000 0.899 355 S HN 0.058 nan 8.310 nan 0.000 0.542 356 I N 1.453 121.792 120.570 -0.386 0.000 2.618 356 I HA 0.073 4.251 4.170 0.013 0.000 0.284 356 I C -0.455 175.559 176.117 -0.171 0.000 1.146 356 I CA -0.053 61.117 61.300 -0.216 0.000 1.425 356 I CB -0.032 37.789 38.000 -0.298 0.000 1.383 356 I HN 0.504 nan 8.210 nan 0.000 0.562 357 F N 6.144 126.109 119.950 0.025 0.000 2.404 357 F HA 0.222 4.758 4.527 0.015 0.000 0.359 357 F C 0.278 176.074 175.800 -0.007 0.000 1.134 357 F CA -0.377 57.647 58.000 0.039 0.000 1.160 357 F CB 0.482 39.550 39.000 0.113 0.000 1.186 357 F HN 0.056 nan 8.300 nan 0.000 0.526 358 V N 5.649 125.604 119.914 0.068 0.000 2.406 358 V HA 0.457 4.584 4.120 0.013 0.000 0.272 358 V C 0.152 176.267 176.094 0.035 0.000 1.043 358 V CA -0.529 61.787 62.300 0.026 0.000 0.915 358 V CB 0.959 32.768 31.823 -0.024 0.000 0.988 358 V HN 0.582 nan 8.190 nan 0.000 0.466 359 V N 0.000 119.928 119.914 0.024 0.000 2.409 359 V HA 0.000 4.128 4.120 0.013 0.000 0.244 359 V CA 0.000 62.304 62.300 0.006 0.000 1.235 359 V CB 0.000 31.819 31.823 -0.007 0.000 1.184 359 V HN 0.000 nan 8.190 nan 0.000 0.556