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 1p3w_1_A DATA FIRST_RESID 2 DATA SEQUENCE KLPIYLDYSA TTPVDPRVAE KMMQFMTMDG TFGNPASRSH RFGWQAEEAV DATA SEQUENCE DIARNQIADL VGADPREIVF TSGATESDNL AIKGAANFYQ KKGKHIITSK DATA SEQUENCE TEHKAVLDTC RQLEREGFEV TYLAPQRNGI IDLKELEAAM RDDTILVSIM DATA SEQUENCE HVNNEIGVVQ DIAAIGEMCR ARGIIYHVDA TQSVGKLPID LSQLKVDLMS DATA SEQUENCE FSGHKIYGPK GIGALYVRRK PRVRIEAQMH GGGHERGMRS GTLPVHQIVG DATA SEQUENCE MGEAYRIAKE EMATEMERLR GLRNRLWNGI KDIEEVYLNG DLEHGAPNIL DATA SEQUENCE NVSFNYVEGE SLIMALKDLA VSSGSAXXXX XXEPSYVLRA LGLNDELAHS DATA SEQUENCE SIRFSLGRFT TEEEIDYTIE LVRKSIGRLR DLSPLWEMYK Q 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.546 176.600 -0.089 0.000 0.988 2 K CA 0.000 56.204 56.287 -0.138 0.000 0.838 2 K CB 0.000 32.413 32.500 -0.145 0.000 1.064 3 L N -1.385 119.799 121.223 -0.064 0.000 0.600 3 L HA 0.095 4.436 4.340 0.001 0.000 0.356 3 L C -2.209 174.657 176.870 -0.005 0.000 1.022 3 L CA 0.639 55.466 54.840 -0.023 0.000 1.223 3 L CB -2.670 39.384 42.059 -0.008 0.000 0.047 3 L HN 0.878 nan 8.230 nan 0.000 0.094 4 P HA 0.498 nan 4.420 nan 0.000 0.259 4 P C 0.054 177.414 177.300 0.101 0.000 1.211 4 P CA 0.159 63.298 63.100 0.066 0.000 0.810 4 P CB -0.071 31.673 31.700 0.074 0.000 0.815 5 I N 3.712 124.345 120.570 0.105 0.000 2.598 5 I HA -0.059 4.112 4.170 0.001 0.000 0.284 5 I C 0.618 176.865 176.117 0.217 0.000 1.140 5 I CA -0.131 61.261 61.300 0.154 0.000 1.420 5 I CB -0.082 38.008 38.000 0.150 0.000 1.387 5 I HN 0.340 nan 8.210 nan 0.000 0.553 6 Y N 7.779 128.153 120.300 0.124 0.000 2.486 6 Y HA 0.342 4.892 4.550 0.001 0.000 0.348 6 Y C 0.082 176.119 175.900 0.229 0.000 1.000 6 Y CA -0.158 58.005 58.100 0.105 0.000 1.253 6 Y CB 0.441 38.903 38.460 0.004 0.000 1.140 6 Y HN 0.441 nan 8.280 nan 0.000 0.526 7 L N 6.178 127.311 121.223 -0.151 0.000 3.193 7 L HA 0.243 4.584 4.340 0.001 0.000 0.305 7 L C -0.312 176.462 176.870 -0.159 0.000 1.299 7 L CA 0.072 54.947 54.840 0.059 0.000 0.904 7 L CB 0.467 42.663 42.059 0.228 0.000 1.331 7 L HN 0.500 nan 8.230 nan 0.000 0.588 8 D N -1.323 118.674 120.400 -0.673 0.000 2.819 8 D HA 0.112 4.753 4.640 0.001 0.000 0.326 8 D C 1.098 177.219 176.300 -0.299 0.000 1.408 8 D CA -0.249 53.438 54.000 -0.523 0.000 0.811 8 D CB 0.341 40.769 40.800 -0.620 0.000 1.148 8 D HN 0.105 nan 8.370 nan 0.000 0.457 9 Y N 0.081 120.328 120.300 -0.088 0.000 2.384 9 Y HA -0.134 4.417 4.550 0.001 0.000 0.289 9 Y C 2.462 178.393 175.900 0.052 0.000 1.152 9 Y CA 1.095 59.287 58.100 0.155 0.000 1.258 9 Y CB -0.099 38.444 38.460 0.138 0.000 0.979 9 Y HN 0.074 nan 8.280 nan 0.000 0.549 10 S N -0.761 115.023 115.700 0.140 0.000 2.453 10 S HA -0.097 4.373 4.470 0.001 0.000 0.231 10 S C 2.233 176.870 174.600 0.063 0.000 1.005 10 S CA 0.707 58.946 58.200 0.065 0.000 0.949 10 S CB -0.301 62.922 63.200 0.038 0.000 0.774 10 S HN 0.525 nan 8.310 nan 0.000 0.510 11 A N 0.062 122.933 122.820 0.086 0.000 1.898 11 A HA 0.247 4.568 4.320 0.001 0.000 0.214 11 A C 1.176 178.881 177.584 0.202 0.000 1.183 11 A CA 1.108 53.220 52.037 0.125 0.000 0.622 11 A CB 0.033 19.093 19.000 0.101 0.000 0.824 11 A HN 0.405 nan 8.150 nan 0.000 0.444 12 T N -1.829 112.855 114.554 0.217 0.000 2.927 12 T HA 0.454 4.805 4.350 0.001 0.000 0.350 12 T C -1.022 173.782 174.700 0.174 0.000 1.746 12 T CA 0.071 62.333 62.100 0.270 0.000 1.081 12 T CB 0.886 69.938 68.868 0.307 0.000 1.551 12 T HN 0.726 nan 8.240 nan 0.000 0.489 13 T N 2.086 116.695 114.554 0.091 0.000 2.932 13 T HA 0.858 5.209 4.350 0.001 0.000 0.289 13 T C -2.959 171.794 174.700 0.089 0.000 1.039 13 T CA -2.002 60.115 62.100 0.028 0.000 1.024 13 T CB 1.466 70.203 68.868 -0.218 0.000 1.090 13 T HN 0.366 nan 8.240 nan 0.000 0.496 14 P HA 0.337 nan 4.420 nan 0.000 0.275 14 P C -0.468 177.044 177.300 0.353 0.000 1.228 14 P CA -0.620 62.603 63.100 0.206 0.000 0.786 14 P CB 0.485 32.329 31.700 0.240 0.000 0.927 15 V N 3.023 123.077 119.914 0.233 0.000 2.655 15 V HA -0.012 4.109 4.120 0.001 0.000 0.300 15 V C 0.903 177.168 176.094 0.285 0.000 1.044 15 V CA 0.168 62.615 62.300 0.246 0.000 1.095 15 V CB 0.187 32.104 31.823 0.157 0.000 0.952 15 V HN 0.612 nan 8.190 nan 0.000 0.485 16 D N 5.824 126.410 120.400 0.309 0.000 2.424 16 D HA 0.089 4.730 4.640 0.001 0.000 0.244 16 D C -1.604 174.799 176.300 0.171 0.000 1.134 16 D CA -1.458 52.705 54.000 0.272 0.000 0.881 16 D CB 1.986 42.909 40.800 0.205 0.000 1.191 16 D HN 0.226 nan 8.370 nan 0.000 0.445 17 P HA -0.143 nan 4.420 nan 0.000 0.216 17 P C 1.026 178.375 177.300 0.081 0.000 1.153 17 P CA 1.481 64.626 63.100 0.075 0.000 0.858 17 P CB 0.262 31.985 31.700 0.038 0.000 0.789 18 R N -0.917 119.636 120.500 0.088 0.000 2.096 18 R HA -0.065 4.276 4.340 0.001 0.000 0.235 18 R C 2.160 178.519 176.300 0.099 0.000 1.127 18 R CA 1.043 57.193 56.100 0.084 0.000 0.968 18 R CB -1.466 28.880 30.300 0.076 0.000 0.861 18 R HN 0.103 nan 8.270 nan 0.000 0.440 19 V N 0.821 120.804 119.914 0.115 0.000 2.307 19 V HA -0.221 3.899 4.120 0.001 0.000 0.245 19 V C 2.353 178.518 176.094 0.118 0.000 1.045 19 V CA 1.953 64.326 62.300 0.121 0.000 1.024 19 V CB -0.787 31.122 31.823 0.144 0.000 0.651 19 V HN 0.437 nan 8.190 nan 0.000 0.449 20 A N 0.987 123.875 122.820 0.114 0.000 1.908 20 A HA -0.283 4.038 4.320 0.001 0.000 0.218 20 A C 2.211 179.858 177.584 0.106 0.000 1.181 20 A CA 2.083 54.184 52.037 0.105 0.000 0.627 20 A CB -0.558 18.494 19.000 0.087 0.000 0.818 20 A HN 0.800 nan 8.150 nan 0.000 0.445 21 E N -0.769 119.488 120.200 0.094 0.000 2.106 21 E HA -0.204 4.147 4.350 0.001 0.000 0.192 21 E C 1.766 178.439 176.600 0.123 0.000 0.984 21 E CA 1.109 57.562 56.400 0.089 0.000 0.806 21 E CB -0.201 29.540 29.700 0.069 0.000 0.750 21 E HN 0.303 nan 8.360 nan 0.000 0.458 22 K N 0.895 121.384 120.400 0.148 0.000 2.001 22 K HA -0.035 4.286 4.320 0.001 0.000 0.208 22 K C 2.181 178.976 176.600 0.325 0.000 1.048 22 K CA 1.535 57.955 56.287 0.220 0.000 0.932 22 K CB -0.409 32.199 32.500 0.181 0.000 0.715 22 K HN 0.288 nan 8.250 nan 0.000 0.437 23 M N -0.023 119.722 119.600 0.242 0.000 2.106 23 M HA -0.213 4.267 4.480 0.001 0.000 0.259 23 M C 2.164 178.658 176.300 0.324 0.000 1.068 23 M CA 1.578 57.047 55.300 0.281 0.000 1.100 23 M CB -0.380 32.338 32.600 0.197 0.000 1.351 23 M HN 0.001 nan 8.290 nan 0.000 0.404 24 M N 0.058 119.781 119.600 0.206 0.000 2.346 24 M HA -0.204 4.276 4.480 0.001 0.000 0.263 24 M C 1.826 178.180 176.300 0.091 0.000 1.064 24 M CA 1.735 57.112 55.300 0.128 0.000 1.083 24 M CB -0.426 32.221 32.600 0.078 0.000 1.399 24 M HN 0.255 nan 8.290 nan 0.000 0.435 25 Q N -1.613 118.239 119.800 0.088 0.000 2.472 25 Q HA -0.006 4.334 4.340 0.001 0.000 0.208 25 Q C -0.195 175.544 176.000 -0.435 0.000 0.958 25 Q CA 0.508 56.196 55.803 -0.192 0.000 0.932 25 Q CB 0.123 28.660 28.738 -0.335 0.000 1.007 25 Q HN 0.427 nan 8.270 nan 0.000 0.508 26 F N -0.661 119.341 119.950 0.087 0.000 2.831 26 F HA 0.378 4.905 4.527 0.001 0.000 0.355 26 F C 0.646 176.498 175.800 0.086 0.000 1.341 26 F CA -0.121 57.941 58.000 0.104 0.000 1.201 26 F CB 0.328 39.396 39.000 0.113 0.000 1.058 26 F HN -0.038 nan 8.300 nan 0.000 0.514 27 M N -1.525 118.163 119.600 0.146 0.000 2.199 27 M HA 0.110 4.591 4.480 0.001 0.000 0.191 27 M C 0.907 177.233 176.300 0.044 0.000 1.744 27 M CA 0.314 55.640 55.300 0.044 0.000 1.005 27 M CB 0.508 33.082 32.600 -0.043 0.000 1.478 27 M HN 0.077 nan 8.290 nan 0.000 0.585 28 T N -0.752 113.810 114.554 0.014 0.000 2.816 28 T HA 0.260 4.611 4.350 0.001 0.000 0.282 28 T C 0.770 175.450 174.700 -0.033 0.000 0.993 28 T CA -0.517 61.552 62.100 -0.053 0.000 0.994 28 T CB 1.196 70.032 68.868 -0.053 0.000 1.025 28 T HN 0.309 nan 8.240 nan 0.000 0.529 29 M N 1.237 120.709 119.600 -0.214 0.000 2.260 29 M HA -0.125 4.356 4.480 0.001 0.000 0.261 29 M C 1.456 177.826 176.300 0.116 0.000 1.066 29 M CA 1.912 57.064 55.300 -0.247 0.000 1.082 29 M CB -0.509 31.908 32.600 -0.305 0.000 1.388 29 M HN 0.791 nan 8.290 nan 0.000 0.419 30 D N -1.340 119.100 120.400 0.067 0.000 2.328 30 D HA 0.128 4.769 4.640 0.001 0.000 0.221 30 D C 0.803 177.146 176.300 0.072 0.000 1.072 30 D CA 0.434 54.479 54.000 0.075 0.000 0.850 30 D CB -0.160 40.652 40.800 0.020 0.000 0.922 30 D HN 0.406 nan 8.370 nan 0.000 0.516 31 G N -0.507 108.368 108.800 0.125 0.000 3.108 31 G HA2 0.387 4.347 3.960 0.001 0.000 0.268 31 G HA3 0.387 4.347 3.960 0.001 0.000 0.268 31 G C -0.577 174.380 174.900 0.095 0.000 1.361 31 G CA -0.573 44.544 45.100 0.029 0.000 1.047 31 G HN -0.011 nan 8.290 nan 0.000 0.540 32 T N 1.685 116.182 114.554 -0.096 0.000 3.688 32 T HA 0.165 4.515 4.350 0.001 0.000 0.307 32 T C 0.619 175.398 174.700 0.133 0.000 1.382 32 T CA -0.121 61.961 62.100 -0.030 0.000 1.136 32 T CB -0.622 68.195 68.868 -0.086 0.000 1.207 32 T HN 0.453 nan 8.240 nan 0.000 0.854 33 F N -0.162 119.866 119.950 0.130 0.000 2.765 33 F HA 0.500 5.028 4.527 0.001 0.000 0.302 33 F C 1.118 176.989 175.800 0.119 0.000 1.111 33 F CA -1.373 56.691 58.000 0.106 0.000 1.359 33 F CB -0.494 38.526 39.000 0.034 0.000 1.097 33 F HN 0.336 nan 8.300 nan 0.000 0.577 34 G N 1.549 110.066 108.800 -0.471 0.000 2.630 34 G HA2 -0.041 3.920 3.960 0.001 0.000 0.236 34 G HA3 -0.041 3.920 3.960 0.001 0.000 0.236 34 G C -0.694 174.193 174.900 -0.022 0.000 1.248 34 G CA -0.486 44.448 45.100 -0.277 0.000 0.844 34 G HN 0.355 nan 8.290 nan 0.000 0.588 35 N N 1.503 120.210 118.700 0.012 0.000 2.414 35 N HA 0.203 4.943 4.740 0.001 0.000 0.256 35 N C -1.056 174.452 175.510 -0.004 0.000 1.029 35 N CA -2.296 50.763 53.050 0.014 0.000 0.948 35 N CB 1.936 40.432 38.487 0.014 0.000 1.102 35 N HN 0.105 nan 8.380 nan 0.000 0.496 36 P HA -0.103 nan 4.420 nan 0.000 0.223 36 P C 0.582 177.887 177.300 0.008 0.000 1.144 36 P CA 0.758 63.867 63.100 0.014 0.000 0.783 36 P CB 0.241 31.945 31.700 0.007 0.000 0.771 37 A N -0.354 122.453 122.820 -0.021 0.000 2.208 37 A HA 0.075 4.396 4.320 0.001 0.000 0.209 37 A C 1.331 178.901 177.584 -0.024 0.000 1.161 37 A CA 0.291 52.323 52.037 -0.009 0.000 0.782 37 A CB -0.739 18.241 19.000 -0.033 0.000 0.816 37 A HN 0.121 nan 8.150 nan 0.000 0.477 38 S N 0.799 116.445 115.700 -0.089 0.000 2.701 38 S HA 0.183 4.654 4.470 0.001 0.000 0.317 38 S C 1.307 175.757 174.600 -0.250 0.000 1.149 38 S CA -0.342 57.716 58.200 -0.236 0.000 1.052 38 S CB 0.187 63.127 63.200 -0.434 0.000 1.257 38 S HN 0.692 nan 8.310 nan 0.000 0.532 39 R N 1.273 121.728 120.500 -0.075 0.000 2.275 39 R HA 0.012 4.353 4.340 0.001 0.000 0.199 39 R C 1.522 177.946 176.300 0.205 0.000 0.989 39 R CA 1.079 57.246 56.100 0.113 0.000 1.016 39 R CB -0.365 30.010 30.300 0.125 0.000 0.918 39 R HN 0.556 nan 8.270 nan 0.000 0.473 40 S N 0.302 115.974 115.700 -0.046 0.000 2.593 40 S HA -0.006 4.464 4.470 0.001 0.000 0.217 40 S C 0.393 174.905 174.600 -0.146 0.000 0.966 40 S CA -0.532 57.686 58.200 0.030 0.000 0.914 40 S CB -0.585 62.629 63.200 0.023 0.000 0.776 40 S HN 0.678 nan 8.310 nan 0.000 0.523 41 H N -1.316 117.416 119.070 -0.563 0.000 2.977 41 H HA 0.575 5.132 4.556 0.001 0.000 0.350 41 H C 0.122 174.394 175.328 -1.761 0.000 1.238 41 H CA -1.192 54.246 56.048 -1.016 0.000 1.124 41 H CB 0.873 30.409 29.762 -0.376 0.000 1.866 41 H HN -0.152 nan 8.280 nan 0.000 0.550 42 R N 0.268 120.071 120.500 -1.161 0.000 2.091 42 R HA -0.055 4.285 4.340 0.001 0.000 0.238 42 R C 1.797 177.893 176.300 -0.340 0.000 1.136 42 R CA 2.064 57.738 56.100 -0.710 0.000 0.959 42 R CB -0.904 29.125 30.300 -0.451 0.000 0.856 42 R HN 0.437 nan 8.270 nan 0.000 0.437 43 F N 0.193 120.057 119.950 -0.144 0.000 2.161 43 F HA -0.077 4.451 4.527 0.001 0.000 0.300 43 F C 2.567 178.309 175.800 -0.097 0.000 1.089 43 F CA 1.644 59.535 58.000 -0.180 0.000 1.282 43 F CB -0.898 37.873 39.000 -0.381 0.000 1.010 43 F HN 0.205 nan 8.300 nan 0.000 0.485 44 G N -0.702 108.162 108.800 0.107 0.000 2.394 44 G HA2 -0.189 3.772 3.960 0.001 0.000 0.215 44 G HA3 -0.189 3.772 3.960 0.001 0.000 0.215 44 G C 1.319 176.275 174.900 0.092 0.000 1.165 44 G CA 0.507 45.583 45.100 -0.040 0.000 0.784 44 G HN 0.248 nan 8.290 nan 0.000 0.535 45 W N 1.181 122.493 121.300 0.021 0.000 2.338 45 W HA -0.037 4.623 4.660 0.001 0.000 0.304 45 W C 2.720 179.245 176.519 0.011 0.000 1.212 45 W CA 0.976 58.325 57.345 0.005 0.000 1.264 45 W CB -1.169 28.291 29.460 -0.001 0.000 1.142 45 W HN 0.366 nan 8.180 nan 0.000 0.512 46 Q N -0.171 119.762 119.800 0.222 0.000 2.119 46 Q HA -0.068 4.273 4.340 0.001 0.000 0.201 46 Q C 2.473 178.568 176.000 0.157 0.000 0.972 46 Q CA 1.770 57.659 55.803 0.144 0.000 0.847 46 Q CB -0.565 28.206 28.738 0.054 0.000 0.903 46 Q HN 0.186 nan 8.270 nan 0.000 0.433 47 A N 1.145 124.046 122.820 0.135 0.000 1.898 47 A HA -0.204 4.117 4.320 0.001 0.000 0.216 47 A C 2.064 179.704 177.584 0.094 0.000 1.181 47 A CA 1.293 53.411 52.037 0.135 0.000 0.620 47 A CB -0.365 18.687 19.000 0.087 0.000 0.819 47 A HN 0.208 nan 8.150 nan 0.000 0.442 48 E N 0.467 120.728 120.200 0.102 0.000 2.077 48 E HA -0.197 4.153 4.350 0.001 0.000 0.193 48 E C 1.842 178.486 176.600 0.073 0.000 0.989 48 E CA 1.541 57.991 56.400 0.083 0.000 0.800 48 E CB -0.270 29.499 29.700 0.114 0.000 0.746 48 E HN 0.749 nan 8.360 nan 0.000 0.452 49 E N 0.015 120.272 120.200 0.096 0.000 2.077 49 E HA -0.159 4.192 4.350 0.001 0.000 0.193 49 E C 2.020 178.660 176.600 0.066 0.000 0.989 49 E CA 1.032 57.480 56.400 0.080 0.000 0.800 49 E CB -0.132 29.624 29.700 0.094 0.000 0.746 49 E HN 0.289 nan 8.360 nan 0.000 0.452 50 A N 0.870 123.737 122.820 0.078 0.000 1.902 50 A HA -0.144 4.177 4.320 0.001 0.000 0.217 50 A C 2.484 180.013 177.584 -0.093 0.000 1.181 50 A CA 1.111 53.147 52.037 -0.002 0.000 0.623 50 A CB -0.603 18.373 19.000 -0.040 0.000 0.818 50 A HN 0.116 nan 8.150 nan 0.000 0.443 51 V N 0.333 120.205 119.914 -0.072 0.000 2.343 51 V HA -0.259 3.861 4.120 0.001 0.000 0.247 51 V C 2.328 178.442 176.094 0.034 0.000 1.051 51 V CA 2.502 64.757 62.300 -0.076 0.000 1.036 51 V CB -0.776 31.011 31.823 -0.059 0.000 0.654 51 V HN 0.683 nan 8.190 nan 0.000 0.451 52 D N -0.160 120.268 120.400 0.047 0.000 2.117 52 D HA -0.153 4.487 4.640 0.001 0.000 0.197 52 D C 1.984 178.316 176.300 0.053 0.000 0.987 52 D CA 1.320 55.358 54.000 0.064 0.000 0.829 52 D CB -0.141 40.689 40.800 0.049 0.000 0.961 52 D HN 0.435 nan 8.370 nan 0.000 0.460 53 I N 0.266 120.856 120.570 0.035 0.000 2.179 53 I HA -0.267 3.904 4.170 0.001 0.000 0.242 53 I C 2.397 178.532 176.117 0.029 0.000 1.088 53 I CA 1.160 62.478 61.300 0.030 0.000 1.357 53 I CB -0.285 37.732 38.000 0.028 0.000 1.051 53 I HN 0.050 nan 8.210 nan 0.000 0.409 54 A N 0.371 123.201 122.820 0.017 0.000 1.930 54 A HA -0.203 4.117 4.320 0.001 0.000 0.217 54 A C 2.430 180.079 177.584 0.109 0.000 1.175 54 A CA 1.315 53.371 52.037 0.032 0.000 0.627 54 A CB -0.565 18.415 19.000 -0.035 0.000 0.815 54 A HN 0.314 nan 8.150 nan 0.000 0.443 55 R N -0.162 120.443 120.500 0.175 0.000 2.096 55 R HA -0.102 4.239 4.340 0.001 0.000 0.235 55 R C 1.675 177.989 176.300 0.024 0.000 1.127 55 R CA 1.452 57.629 56.100 0.128 0.000 0.968 55 R CB -0.241 30.147 30.300 0.147 0.000 0.861 55 R HN 0.557 nan 8.270 nan 0.000 0.440 56 N N 0.377 119.098 118.700 0.036 0.000 2.270 56 N HA -0.133 4.608 4.740 0.001 0.000 0.181 56 N C 1.616 177.137 175.510 0.019 0.000 1.016 56 N CA 0.993 54.056 53.050 0.022 0.000 0.870 56 N CB 0.044 38.547 38.487 0.026 0.000 0.979 56 N HN 0.406 nan 8.380 nan 0.000 0.431 57 Q N 0.618 120.434 119.800 0.026 0.000 2.079 57 Q HA -0.005 4.336 4.340 0.001 0.000 0.200 57 Q C 2.122 178.150 176.000 0.048 0.000 0.974 57 Q CA 0.918 56.744 55.803 0.039 0.000 0.840 57 Q CB 0.052 28.819 28.738 0.048 0.000 0.898 57 Q HN 0.368 nan 8.270 nan 0.000 0.430 58 I N 0.397 120.961 120.570 -0.010 0.000 2.202 58 I HA -0.265 3.905 4.170 0.001 0.000 0.242 58 I C 2.410 178.509 176.117 -0.031 0.000 1.091 58 I CA 0.941 62.201 61.300 -0.067 0.000 1.368 58 I CB -0.390 37.428 38.000 -0.303 0.000 1.058 58 I HN 0.160 nan 8.210 nan 0.000 0.410 59 A N 0.565 123.365 122.820 -0.035 0.000 1.908 59 A HA -0.253 4.068 4.320 0.001 0.000 0.218 59 A C 1.926 179.499 177.584 -0.018 0.000 1.181 59 A CA 2.145 54.173 52.037 -0.015 0.000 0.627 59 A CB -0.640 18.364 19.000 0.007 0.000 0.818 59 A HN 0.360 nan 8.150 nan 0.000 0.445 60 D N -0.143 120.255 120.400 -0.005 0.000 2.149 60 D HA -0.141 4.499 4.640 0.001 0.000 0.198 60 D C 1.874 178.160 176.300 -0.024 0.000 0.990 60 D CA 0.788 54.784 54.000 -0.007 0.000 0.839 60 D CB -0.400 40.404 40.800 0.006 0.000 0.948 60 D HN 0.403 nan 8.370 nan 0.000 0.460 61 L N 0.837 122.047 121.223 -0.021 0.000 2.046 61 L HA -0.130 4.211 4.340 0.001 0.000 0.208 61 L C 1.893 178.698 176.870 -0.109 0.000 1.077 61 L CA 1.311 56.114 54.840 -0.062 0.000 0.747 61 L CB 0.017 42.041 42.059 -0.059 0.000 0.896 61 L HN 0.031 nan 8.230 nan 0.000 0.432 62 V N -3.494 116.340 119.914 -0.134 0.000 3.444 62 V HA 0.421 4.541 4.120 0.001 0.000 0.308 62 V C 1.067 177.086 176.094 -0.125 0.000 1.371 62 V CA 0.230 62.437 62.300 -0.155 0.000 1.141 62 V CB -0.560 31.126 31.823 -0.228 0.000 1.037 62 V HN 0.512 nan 8.190 nan 0.000 0.433 63 G N 0.205 108.955 108.800 -0.082 0.000 2.295 63 G HA2 0.034 3.994 3.960 0.001 0.000 0.287 63 G HA3 0.034 3.994 3.960 0.001 0.000 0.287 63 G C 0.199 175.066 174.900 -0.055 0.000 1.055 63 G CA 0.577 45.641 45.100 -0.060 0.000 0.922 63 G HN 1.627 nan 8.290 nan 0.000 0.503 64 A N -0.886 121.914 122.820 -0.034 0.000 2.344 64 A HA 0.794 5.115 4.320 0.001 0.000 0.307 64 A C -0.070 177.555 177.584 0.068 0.000 1.151 64 A CA -0.086 51.974 52.037 0.038 0.000 0.842 64 A CB 1.227 20.278 19.000 0.085 0.000 1.350 64 A HN 0.380 nan 8.150 nan 0.000 0.459 65 D N -0.517 119.950 120.400 0.112 0.000 2.210 65 D HA 0.357 4.998 4.640 0.001 0.000 0.249 65 D C -1.858 174.478 176.300 0.060 0.000 1.078 65 D CA -1.692 52.349 54.000 0.067 0.000 0.875 65 D CB 1.605 42.441 40.800 0.060 0.000 1.175 65 D HN 0.024 nan 8.370 nan 0.000 0.440 66 P HA -0.089 nan 4.420 nan 0.000 0.217 66 P C 0.821 178.117 177.300 -0.007 0.000 1.148 66 P CA 1.163 64.268 63.100 0.009 0.000 0.828 66 P CB 0.270 31.977 31.700 0.012 0.000 0.783 67 R N -0.436 120.065 120.500 0.000 0.000 2.280 67 R HA -0.041 4.300 4.340 0.001 0.000 0.207 67 R C 1.747 178.023 176.300 -0.041 0.000 1.043 67 R CA 0.802 56.892 56.100 -0.017 0.000 1.006 67 R CB -0.552 29.741 30.300 -0.012 0.000 0.885 67 R HN 0.371 nan 8.270 nan 0.000 0.467 68 E N -0.059 120.129 120.200 -0.020 0.000 2.474 68 E HA 0.044 4.394 4.350 0.001 0.000 0.194 68 E C -0.233 176.336 176.600 -0.052 0.000 1.041 68 E CA 0.059 56.420 56.400 -0.065 0.000 0.874 68 E CB 0.450 30.166 29.700 0.027 0.000 0.914 68 E HN 0.115 nan 8.360 nan 0.000 0.498 69 I N 2.335 122.874 120.570 -0.052 0.000 2.297 69 I HA 0.141 4.311 4.170 0.001 0.000 0.291 69 I C -0.135 175.821 176.117 -0.268 0.000 1.033 69 I CA -0.448 60.770 61.300 -0.137 0.000 1.253 69 I CB 1.045 38.911 38.000 -0.224 0.000 1.396 69 I HN -0.252 nan 8.210 nan 0.000 0.476 70 V N 7.691 127.466 119.914 -0.231 0.000 2.370 70 V HA 0.354 4.474 4.120 0.001 0.000 0.283 70 V C 0.054 176.028 176.094 -0.201 0.000 1.023 70 V CA -0.636 61.555 62.300 -0.181 0.000 0.857 70 V CB 1.263 33.022 31.823 -0.106 0.000 0.985 70 V HN 0.349 nan 8.190 nan 0.000 0.443 71 F N 3.664 123.610 119.950 -0.008 0.000 2.429 71 F HA 0.508 5.036 4.527 0.001 0.000 0.348 71 F C 1.053 176.844 175.800 -0.016 0.000 1.109 71 F CA 0.258 58.249 58.000 -0.016 0.000 1.232 71 F CB 1.501 40.481 39.000 -0.032 0.000 1.157 71 F HN 0.629 nan 8.300 nan 0.000 0.564 72 T N -2.443 112.234 114.554 0.205 0.000 2.804 72 T HA 0.285 4.635 4.350 0.001 0.000 0.290 72 T C 0.517 175.274 174.700 0.096 0.000 1.099 72 T CA -0.236 61.928 62.100 0.106 0.000 1.011 72 T CB 1.270 70.171 68.868 0.056 0.000 1.291 72 T HN 0.446 nan 8.240 nan 0.000 0.523 73 S N -1.060 114.676 115.700 0.060 0.000 2.603 73 S HA 0.553 5.024 4.470 0.001 0.000 0.220 73 S C 1.053 175.689 174.600 0.060 0.000 0.967 73 S CA 0.114 58.342 58.200 0.046 0.000 0.920 73 S CB -0.861 62.359 63.200 0.033 0.000 0.773 73 S HN 1.762 nan 8.310 nan 0.000 0.529 74 G N -0.607 108.239 108.800 0.077 0.000 2.352 74 G HA2 0.460 4.421 3.960 0.001 0.000 0.302 74 G HA3 0.460 4.421 3.960 0.001 0.000 0.302 74 G C 0.305 175.250 174.900 0.075 0.000 1.370 74 G CA -0.313 44.845 45.100 0.097 0.000 0.918 74 G HN 0.564 nan 8.290 nan 0.000 0.610 75 A N -0.730 122.133 122.820 0.072 0.000 2.019 75 A HA 0.162 4.482 4.320 0.001 0.000 0.219 75 A C 2.414 179.999 177.584 0.003 0.000 1.164 75 A CA 2.918 54.969 52.037 0.023 0.000 0.644 75 A CB -0.766 18.226 19.000 -0.013 0.000 0.805 75 A HN 1.050 nan 8.150 nan 0.000 0.449 76 T N -0.535 114.033 114.554 0.023 0.000 2.737 76 T HA -0.146 4.205 4.350 0.001 0.000 0.265 76 T C 1.882 176.598 174.700 0.028 0.000 1.038 76 T CA 1.542 63.666 62.100 0.040 0.000 1.144 76 T CB -0.182 68.732 68.868 0.077 0.000 0.866 76 T HN 0.755 nan 8.240 nan 0.000 0.434 77 E N 0.690 120.905 120.200 0.026 0.000 2.110 77 E HA -0.121 4.229 4.350 0.001 0.000 0.193 77 E C 2.288 178.879 176.600 -0.015 0.000 0.988 77 E CA 1.185 57.590 56.400 0.010 0.000 0.804 77 E CB -0.076 29.634 29.700 0.018 0.000 0.745 77 E HN 0.314 nan 8.360 nan 0.000 0.458 78 S N 0.955 116.648 115.700 -0.012 0.000 2.359 78 S HA -0.172 4.299 4.470 0.001 0.000 0.224 78 S C 1.455 176.011 174.600 -0.075 0.000 1.035 78 S CA 1.442 59.618 58.200 -0.041 0.000 1.018 78 S CB -0.344 62.837 63.200 -0.033 0.000 0.876 78 S HN 0.360 nan 8.310 nan 0.000 0.448 79 D N 1.206 121.580 120.400 -0.044 0.000 2.117 79 D HA -0.039 4.602 4.640 0.001 0.000 0.197 79 D C 1.797 178.011 176.300 -0.144 0.000 0.987 79 D CA 0.952 54.904 54.000 -0.080 0.000 0.829 79 D CB -0.649 40.166 40.800 0.025 0.000 0.961 79 D HN 0.269 nan 8.370 nan 0.000 0.460 80 N N 0.268 118.924 118.700 -0.074 0.000 2.120 80 N HA -0.073 4.668 4.740 0.001 0.000 0.188 80 N C 1.824 177.274 175.510 -0.101 0.000 1.024 80 N CA 0.343 53.352 53.050 -0.069 0.000 0.852 80 N CB -0.234 38.237 38.487 -0.026 0.000 1.003 80 N HN 0.125 nan 8.380 nan 0.000 0.424 81 L N 0.131 121.294 121.223 -0.101 0.000 2.017 81 L HA -0.118 4.223 4.340 0.001 0.000 0.208 81 L C 2.030 178.810 176.870 -0.150 0.000 1.073 81 L CA 1.343 56.120 54.840 -0.105 0.000 0.745 81 L CB -0.447 41.559 42.059 -0.090 0.000 0.894 81 L HN 0.209 nan 8.230 nan 0.000 0.432 82 A N 0.121 122.803 122.820 -0.229 0.000 1.877 82 A HA -0.194 4.126 4.320 0.001 0.000 0.216 82 A C 2.064 179.463 177.584 -0.307 0.000 1.186 82 A CA 1.673 53.524 52.037 -0.309 0.000 0.620 82 A CB -0.573 18.098 19.000 -0.548 0.000 0.822 82 A HN 0.466 nan 8.150 nan 0.000 0.443 83 I N -0.822 119.539 120.570 -0.347 0.000 2.235 83 I HA -0.201 3.969 4.170 0.001 0.000 0.241 83 I C 2.429 178.418 176.117 -0.214 0.000 1.085 83 I CA 1.437 62.576 61.300 -0.268 0.000 1.378 83 I CB -0.346 37.507 38.000 -0.245 0.000 1.076 83 I HN 0.236 nan 8.210 nan 0.000 0.415 84 K N 1.031 121.326 120.400 -0.175 0.000 2.097 84 K HA -0.084 4.237 4.320 0.001 0.000 0.206 84 K C 2.173 178.719 176.600 -0.090 0.000 1.049 84 K CA 1.409 57.610 56.287 -0.143 0.000 0.933 84 K CB -0.472 31.982 32.500 -0.078 0.000 0.717 84 K HN 0.425 nan 8.250 nan 0.000 0.442 85 G N 1.221 109.975 108.800 -0.076 0.000 2.421 85 G HA2 -0.266 3.694 3.960 0.001 0.000 0.216 85 G HA3 -0.266 3.694 3.960 0.001 0.000 0.216 85 G C 1.620 176.543 174.900 0.039 0.000 1.171 85 G CA 0.982 46.067 45.100 -0.025 0.000 0.775 85 G HN 0.360 nan 8.290 nan 0.000 0.543 86 A N 0.941 123.776 122.820 0.025 0.000 1.898 86 A HA 0.443 4.763 4.320 0.001 0.000 0.214 86 A C 2.803 180.515 177.584 0.212 0.000 1.183 86 A CA 1.874 54.024 52.037 0.188 0.000 0.622 86 A CB -0.743 18.323 19.000 0.111 0.000 0.824 86 A HN 0.741 nan 8.150 nan 0.000 0.444 87 A N 0.602 123.400 122.820 -0.037 0.000 1.883 87 A HA -0.240 4.081 4.320 0.001 0.000 0.217 87 A C 2.007 179.610 177.584 0.031 0.000 1.186 87 A CA 1.863 53.767 52.037 -0.221 0.000 0.624 87 A CB -0.689 17.819 19.000 -0.820 0.000 0.822 87 A HN 0.565 nan 8.150 nan 0.000 0.444 88 N N -1.412 117.325 118.700 0.061 0.000 2.142 88 N HA -0.113 4.627 4.740 0.001 0.000 0.186 88 N C 1.585 177.176 175.510 0.136 0.000 1.023 88 N CA 1.471 54.638 53.050 0.195 0.000 0.852 88 N CB -0.446 38.121 38.487 0.133 0.000 0.998 88 N HN 0.533 nan 8.380 nan 0.000 0.424 89 F N 0.816 120.754 119.950 -0.020 0.000 2.134 89 F HA -0.176 4.351 4.527 0.001 0.000 0.299 89 F C 1.192 176.833 175.800 -0.265 0.000 1.097 89 F CA 1.431 59.312 58.000 -0.198 0.000 1.264 89 F CB -0.147 38.622 39.000 -0.386 0.000 1.001 89 F HN 0.027 nan 8.300 nan 0.000 0.479 90 Y N 0.664 121.104 120.300 0.232 0.000 2.524 90 Y HA 0.071 4.622 4.550 0.001 0.000 0.266 90 Y C 2.111 178.082 175.900 0.118 0.000 1.180 90 Y CA 0.057 58.255 58.100 0.162 0.000 1.244 90 Y CB -0.903 37.681 38.460 0.206 0.000 1.125 90 Y HN 0.256 nan 8.280 nan 0.000 0.524 91 Q N 0.626 120.575 119.800 0.247 0.000 2.248 91 Q HA -0.229 4.112 4.340 0.001 0.000 0.208 91 Q C 1.431 177.496 176.000 0.109 0.000 0.984 91 Q CA 1.524 57.474 55.803 0.245 0.000 0.875 91 Q CB -0.339 28.548 28.738 0.249 0.000 0.910 91 Q HN 0.381 nan 8.270 nan 0.000 0.433 92 K N 0.823 121.253 120.400 0.050 0.000 2.280 92 K HA -0.066 4.255 4.320 0.001 0.000 0.202 92 K C 1.643 178.275 176.600 0.053 0.000 1.047 92 K CA 1.107 57.406 56.287 0.019 0.000 0.942 92 K CB 0.112 32.598 32.500 -0.023 0.000 0.739 92 K HN 0.248 nan 8.250 nan 0.000 0.457 93 K N -0.320 120.143 120.400 0.106 0.000 2.400 93 K HA 0.046 4.366 4.320 0.001 0.000 0.194 93 K C 0.532 177.192 176.600 0.100 0.000 1.033 93 K CA 0.259 56.612 56.287 0.109 0.000 1.021 93 K CB 0.801 33.395 32.500 0.156 0.000 0.808 93 K HN 0.203 nan 8.250 nan 0.000 0.505 94 G N 0.440 109.310 108.800 0.116 0.000 2.350 94 G HA2 0.038 3.998 3.960 0.001 0.000 0.304 94 G HA3 0.038 3.998 3.960 0.001 0.000 0.304 94 G C -1.250 173.755 174.900 0.176 0.000 1.421 94 G CA -0.854 44.315 45.100 0.115 0.000 0.934 94 G HN -0.012 nan 8.290 nan 0.000 0.632 95 K N -0.157 120.349 120.400 0.176 0.000 2.592 95 K HA 0.153 4.474 4.320 0.001 0.000 0.203 95 K C 0.047 176.869 176.600 0.370 0.000 1.070 95 K CA -0.455 56.006 56.287 0.291 0.000 1.062 95 K CB 0.763 33.242 32.500 -0.035 0.000 0.814 95 K HN 0.593 nan 8.250 nan 0.000 0.502 96 H N 1.078 120.241 119.070 0.154 0.000 2.489 96 H HA 0.395 4.951 4.556 0.001 0.000 0.322 96 H C -0.925 174.441 175.328 0.064 0.000 1.091 96 H CA -0.368 55.736 56.048 0.094 0.000 1.291 96 H CB 0.744 30.533 29.762 0.046 0.000 1.436 96 H HN 0.023 nan 8.280 nan 0.000 0.480 97 I N 6.603 126.953 120.570 -0.367 0.000 2.545 97 I HA 0.270 4.441 4.170 0.001 0.000 0.292 97 I C -0.519 175.277 176.117 -0.534 0.000 1.040 97 I CA -0.774 60.302 61.300 -0.373 0.000 1.068 97 I CB 2.387 40.258 38.000 -0.214 0.000 1.251 97 I HN 0.460 nan 8.210 nan 0.000 0.424 98 I N 4.384 124.712 120.570 -0.404 0.000 2.433 98 I HA 0.509 4.679 4.170 0.001 0.000 0.292 98 I C 0.020 176.029 176.117 -0.181 0.000 1.001 98 I CA -0.150 60.970 61.300 -0.301 0.000 1.119 98 I CB 2.199 40.073 38.000 -0.210 0.000 1.289 98 I HN 0.573 nan 8.210 nan 0.000 0.438 99 T N 2.787 117.233 114.554 -0.181 0.000 2.618 99 T HA 0.462 4.812 4.350 0.001 0.000 0.286 99 T C -1.265 173.438 174.700 0.005 0.000 1.027 99 T CA -0.410 61.646 62.100 -0.074 0.000 1.063 99 T CB 1.947 70.764 68.868 -0.086 0.000 1.440 99 T HN 0.518 nan 8.240 nan 0.000 0.505 100 S N -0.356 115.396 115.700 0.087 0.000 2.513 100 S HA 0.451 4.921 4.470 0.001 0.000 0.299 100 S C 0.689 175.414 174.600 0.208 0.000 1.087 100 S CA -0.592 57.687 58.200 0.131 0.000 1.012 100 S CB 1.374 64.638 63.200 0.107 0.000 1.044 100 S HN 0.678 nan 8.310 nan 0.000 0.485 101 K N 1.407 121.930 120.400 0.205 0.000 2.280 101 K HA -0.063 4.258 4.320 0.001 0.000 0.202 101 K C 1.499 178.238 176.600 0.232 0.000 1.047 101 K CA 1.683 58.091 56.287 0.202 0.000 0.942 101 K CB -0.255 32.329 32.500 0.141 0.000 0.739 101 K HN 0.820 nan 8.250 nan 0.000 0.457 102 T N -1.303 113.368 114.554 0.194 0.000 3.144 102 T HA 0.096 4.447 4.350 0.001 0.000 0.249 102 T C 0.384 175.212 174.700 0.213 0.000 1.089 102 T CA -0.351 61.860 62.100 0.185 0.000 0.989 102 T CB 0.126 69.041 68.868 0.078 0.000 0.992 102 T HN -0.094 nan 8.240 nan 0.000 0.540 103 E N 2.042 122.385 120.200 0.238 0.000 2.422 103 E HA 0.097 4.447 4.350 0.001 0.000 0.260 103 E C -0.016 176.766 176.600 0.304 0.000 1.108 103 E CA -0.018 56.519 56.400 0.229 0.000 0.943 103 E CB 0.413 30.234 29.700 0.202 0.000 0.961 103 E HN 0.629 nan 8.360 nan 0.000 0.443 104 H N 1.401 120.577 119.070 0.177 0.000 2.757 104 H HA -0.011 4.546 4.556 0.001 0.000 0.370 104 H C 1.132 176.568 175.328 0.180 0.000 1.172 104 H CA 0.164 56.327 56.048 0.191 0.000 1.426 104 H CB 0.768 30.602 29.762 0.121 0.000 1.438 104 H HN 0.165 nan 8.280 nan 0.000 0.612 105 K N 3.054 123.344 120.400 -0.184 0.000 2.152 105 K HA -0.126 4.195 4.320 0.001 0.000 0.206 105 K C 1.999 178.667 176.600 0.113 0.000 1.048 105 K CA 1.148 57.391 56.287 -0.073 0.000 0.933 105 K CB -0.552 31.852 32.500 -0.160 0.000 0.721 105 K HN 0.705 nan 8.250 nan 0.000 0.447 106 A N 0.681 123.734 122.820 0.390 0.000 2.024 106 A HA -0.109 4.212 4.320 0.001 0.000 0.220 106 A C 2.396 180.074 177.584 0.158 0.000 1.164 106 A CA 1.458 53.657 52.037 0.271 0.000 0.643 106 A CB -0.267 18.898 19.000 0.274 0.000 0.806 106 A HN 0.081 nan 8.150 nan 0.000 0.451 107 V N -0.529 119.495 119.914 0.183 0.000 2.492 107 V HA -0.074 4.047 4.120 0.001 0.000 0.241 107 V C 2.451 178.614 176.094 0.115 0.000 1.041 107 V CA 1.235 63.612 62.300 0.129 0.000 1.057 107 V CB -0.516 31.406 31.823 0.165 0.000 0.711 107 V HN 0.540 nan 8.190 nan 0.000 0.468 108 L N -0.014 121.284 121.223 0.126 0.000 2.017 108 L HA -0.179 4.162 4.340 0.001 0.000 0.208 108 L C 2.271 179.191 176.870 0.082 0.000 1.073 108 L CA 1.645 56.562 54.840 0.129 0.000 0.745 108 L CB -0.715 41.345 42.059 0.001 0.000 0.894 108 L HN 0.336 nan 8.230 nan 0.000 0.432 109 D N -0.854 119.562 120.400 0.028 0.000 2.224 109 D HA -0.118 4.522 4.640 0.001 0.000 0.205 109 D C 2.172 178.495 176.300 0.037 0.000 0.965 109 D CA 1.142 55.151 54.000 0.015 0.000 0.852 109 D CB -0.045 40.755 40.800 -0.000 0.000 0.947 109 D HN 0.213 nan 8.370 nan 0.000 0.494 110 T N -0.332 114.247 114.554 0.041 0.000 2.777 110 T HA -0.106 4.244 4.350 0.001 0.000 0.266 110 T C 2.142 176.853 174.700 0.019 0.000 1.040 110 T CA 0.697 62.808 62.100 0.017 0.000 1.141 110 T CB -0.267 68.596 68.868 -0.009 0.000 0.868 110 T HN 0.238 nan 8.240 nan 0.000 0.444 111 C N 1.226 120.556 119.300 0.050 0.000 2.435 111 C HA 0.048 4.509 4.460 0.001 0.000 0.279 111 C C 2.812 177.886 174.990 0.139 0.000 1.321 111 C CA 0.307 59.362 59.018 0.061 0.000 1.752 111 C CB -0.930 26.849 27.740 0.066 0.000 1.959 111 C HN 0.540 nan 8.230 nan 0.000 0.500 112 R N 0.475 121.068 120.500 0.154 0.000 2.081 112 R HA -0.169 4.172 4.340 0.001 0.000 0.235 112 R C 2.258 178.614 176.300 0.093 0.000 1.131 112 R CA 1.517 57.693 56.100 0.127 0.000 0.960 112 R CB -0.404 29.928 30.300 0.053 0.000 0.856 112 R HN 0.450 nan 8.270 nan 0.000 0.436 113 Q N 1.305 121.147 119.800 0.070 0.000 2.084 113 Q HA -0.086 4.254 4.340 0.001 0.000 0.202 113 Q C 1.908 177.967 176.000 0.098 0.000 0.978 113 Q CA 1.576 57.418 55.803 0.066 0.000 0.844 113 Q CB -0.275 28.490 28.738 0.046 0.000 0.898 113 Q HN 0.349 nan 8.270 nan 0.000 0.426 114 L N 0.210 121.490 121.223 0.094 0.000 2.191 114 L HA -0.163 4.178 4.340 0.001 0.000 0.212 114 L C 2.288 179.327 176.870 0.281 0.000 1.103 114 L CA 1.386 56.328 54.840 0.170 0.000 0.769 114 L CB -0.421 41.618 42.059 -0.033 0.000 0.908 114 L HN 0.347 nan 8.230 nan 0.000 0.438 115 E N 0.321 120.636 120.200 0.193 0.000 2.106 115 E HA -0.205 4.145 4.350 0.001 0.000 0.192 115 E C 2.149 178.829 176.600 0.134 0.000 0.984 115 E CA 0.985 57.493 56.400 0.180 0.000 0.806 115 E CB 0.027 29.826 29.700 0.166 0.000 0.750 115 E HN 0.569 nan 8.360 nan 0.000 0.458 116 R N 0.699 121.266 120.500 0.112 0.000 2.280 116 R HA -0.011 4.330 4.340 0.001 0.000 0.207 116 R C 1.157 177.503 176.300 0.077 0.000 1.043 116 R CA 0.812 56.958 56.100 0.078 0.000 1.006 116 R CB -0.138 30.198 30.300 0.060 0.000 0.885 116 R HN 0.122 nan 8.270 nan 0.000 0.467 117 E N 0.422 120.697 120.200 0.124 0.000 2.465 117 E HA 0.105 4.455 4.350 0.001 0.000 0.191 117 E C 0.473 177.082 176.600 0.014 0.000 1.053 117 E CA 0.271 56.738 56.400 0.112 0.000 0.869 117 E CB 0.759 30.590 29.700 0.219 0.000 0.977 117 E HN 0.638 nan 8.360 nan 0.000 0.483 118 G N 0.746 109.552 108.800 0.010 0.000 2.179 118 G HA2 -0.248 3.713 3.960 0.001 0.000 0.220 118 G HA3 -0.248 3.713 3.960 0.001 0.000 0.220 118 G C -0.038 174.763 174.900 -0.164 0.000 0.990 118 G CA -0.519 44.519 45.100 -0.103 0.000 0.646 118 G HN 0.159 nan 8.290 nan 0.000 0.517 119 F N 1.313 121.285 119.950 0.036 0.000 2.382 119 F HA 0.578 5.106 4.527 0.001 0.000 0.331 119 F C 0.878 176.710 175.800 0.054 0.000 1.121 119 F CA -0.294 57.731 58.000 0.042 0.000 1.183 119 F CB 1.050 40.068 39.000 0.030 0.000 1.207 119 F HN 0.088 nan 8.300 nan 0.000 0.555 120 E N 1.754 122.113 120.200 0.265 0.000 2.156 120 E HA 0.545 4.895 4.350 0.001 0.000 0.279 120 E C -1.719 175.006 176.600 0.208 0.000 0.965 120 E CA -0.527 56.004 56.400 0.219 0.000 0.789 120 E CB 1.363 31.192 29.700 0.215 0.000 1.098 120 E HN 0.403 nan 8.360 nan 0.000 0.397 121 V N 3.730 123.710 119.914 0.110 0.000 2.487 121 V HA 0.285 4.405 4.120 0.001 0.000 0.298 121 V C -0.253 175.760 176.094 -0.135 0.000 1.028 121 V CA -0.790 61.436 62.300 -0.123 0.000 0.860 121 V CB 2.014 33.634 31.823 -0.339 0.000 0.991 121 V HN 0.719 nan 8.190 nan 0.000 0.427 122 T N 4.872 119.326 114.554 -0.167 0.000 2.743 122 T HA 0.484 4.834 4.350 0.001 0.000 0.292 122 T C -0.778 173.813 174.700 -0.182 0.000 0.972 122 T CA 0.009 62.095 62.100 -0.023 0.000 0.967 122 T CB 0.059 69.004 68.868 0.129 0.000 0.926 122 T HN 0.437 nan 8.240 nan 0.000 0.459 123 Y N 3.557 123.886 120.300 0.047 0.000 2.594 123 Y HA 0.373 4.924 4.550 0.001 0.000 0.342 123 Y C 0.591 176.513 175.900 0.038 0.000 1.010 123 Y CA -1.009 57.112 58.100 0.036 0.000 1.270 123 Y CB 0.053 38.530 38.460 0.029 0.000 1.125 123 Y HN 0.442 nan 8.280 nan 0.000 0.513 124 L N 3.479 124.777 121.223 0.127 0.000 2.453 124 L HA 0.318 4.659 4.340 0.001 0.000 0.272 124 L C 0.690 177.620 176.870 0.099 0.000 1.182 124 L CA -0.449 54.447 54.840 0.093 0.000 0.858 124 L CB 0.524 42.616 42.059 0.054 0.000 1.120 124 L HN 0.642 nan 8.230 nan 0.000 0.474 125 A N 6.315 129.182 122.820 0.078 0.000 2.363 125 A HA 0.606 4.926 4.320 0.001 0.000 0.270 125 A C -2.085 175.529 177.584 0.050 0.000 1.121 125 A CA -1.220 50.856 52.037 0.065 0.000 0.800 125 A CB 0.011 19.041 19.000 0.051 0.000 1.052 125 A HN 0.509 nan 8.150 nan 0.000 0.493 126 P HA 0.212 nan 4.420 nan 0.000 0.278 126 P C -0.616 176.700 177.300 0.027 0.000 1.266 126 P CA -0.354 62.768 63.100 0.037 0.000 0.807 126 P CB 0.694 32.417 31.700 0.038 0.000 1.094 127 Q N -0.192 119.622 119.800 0.023 0.000 2.396 127 Q HA 0.169 4.509 4.340 0.001 0.000 0.221 127 Q C 1.490 177.500 176.000 0.017 0.000 1.025 127 Q CA -0.430 55.385 55.803 0.020 0.000 0.946 127 Q CB 0.456 29.207 28.738 0.021 0.000 1.224 127 Q HN 0.295 nan 8.270 nan 0.000 0.539 128 R N 1.303 121.811 120.500 0.013 0.000 2.154 128 R HA -0.209 4.132 4.340 0.001 0.000 0.248 128 R C 1.382 177.685 176.300 0.004 0.000 1.155 128 R CA 2.141 58.244 56.100 0.006 0.000 0.979 128 R CB -0.118 30.187 30.300 0.008 0.000 0.869 128 R HN 0.659 nan 8.270 nan 0.000 0.452 129 N N -1.319 117.391 118.700 0.016 0.000 2.322 129 N HA 0.086 4.826 4.740 0.001 0.000 0.194 129 N C 0.879 176.407 175.510 0.030 0.000 1.126 129 N CA 0.881 53.941 53.050 0.018 0.000 0.845 129 N CB 0.590 39.102 38.487 0.041 0.000 0.976 129 N HN 0.314 nan 8.380 nan 0.000 0.475 130 G N -0.043 108.772 108.800 0.025 0.000 2.217 130 G HA2 -0.224 3.736 3.960 0.001 0.000 0.246 130 G HA3 -0.224 3.736 3.960 0.001 0.000 0.246 130 G C -0.160 174.763 174.900 0.038 0.000 0.990 130 G CA 0.043 45.160 45.100 0.028 0.000 0.627 130 G HN 0.285 nan 8.290 nan 0.000 0.522 131 I N 2.234 122.830 120.570 0.042 0.000 2.529 131 I HA 0.242 4.413 4.170 0.001 0.000 0.284 131 I C 0.877 177.002 176.117 0.014 0.000 1.082 131 I CA -0.751 60.562 61.300 0.021 0.000 1.406 131 I CB 0.738 38.745 38.000 0.011 0.000 1.405 131 I HN -0.026 nan 8.210 nan 0.000 0.548 132 I N 5.272 125.846 120.570 0.007 0.000 2.371 132 I HA 0.035 4.206 4.170 0.001 0.000 0.290 132 I C 0.500 176.613 176.117 -0.006 0.000 1.028 132 I CA -0.362 60.942 61.300 0.007 0.000 1.345 132 I CB 0.613 38.619 38.000 0.010 0.000 1.407 132 I HN 0.465 nan 8.210 nan 0.000 0.501 133 D N 7.080 127.479 120.400 -0.001 0.000 2.342 133 D HA 0.037 4.677 4.640 0.001 0.000 0.260 133 D C 1.241 177.532 176.300 -0.015 0.000 1.278 133 D CA 0.005 54.001 54.000 -0.007 0.000 0.910 133 D CB 0.718 41.519 40.800 0.001 0.000 1.079 133 D HN 0.411 nan 8.370 nan 0.000 0.496 134 L N 3.469 124.676 121.223 -0.027 0.000 2.187 134 L HA -0.184 4.157 4.340 0.001 0.000 0.213 134 L C 2.278 179.129 176.870 -0.032 0.000 1.100 134 L CA 0.932 55.748 54.840 -0.040 0.000 0.765 134 L CB -0.261 41.768 42.059 -0.050 0.000 0.904 134 L HN 0.384 nan 8.230 nan 0.000 0.437 135 K N 0.160 120.547 120.400 -0.021 0.000 2.097 135 K HA -0.144 4.176 4.320 0.001 0.000 0.205 135 K C 1.945 178.539 176.600 -0.010 0.000 1.050 135 K CA 1.164 57.442 56.287 -0.016 0.000 0.938 135 K CB -0.019 32.475 32.500 -0.010 0.000 0.718 135 K HN 0.412 nan 8.250 nan 0.000 0.442 136 E N 0.821 121.017 120.200 -0.005 0.000 2.106 136 E HA -0.181 4.169 4.350 0.001 0.000 0.192 136 E C 1.989 178.590 176.600 0.002 0.000 0.984 136 E CA 0.627 57.029 56.400 0.003 0.000 0.806 136 E CB -0.056 29.650 29.700 0.010 0.000 0.750 136 E HN 0.100 nan 8.360 nan 0.000 0.458 137 L N 1.798 123.014 121.223 -0.011 0.000 1.994 137 L HA -0.203 4.138 4.340 0.001 0.000 0.208 137 L C 2.303 179.161 176.870 -0.021 0.000 1.071 137 L CA 2.032 56.859 54.840 -0.022 0.000 0.745 137 L CB -0.456 41.572 42.059 -0.050 0.000 0.892 137 L HN 0.054 nan 8.230 nan 0.000 0.431 138 E N -0.566 119.617 120.200 -0.027 0.000 2.110 138 E HA -0.230 4.121 4.350 0.001 0.000 0.193 138 E C 2.031 178.627 176.600 -0.006 0.000 0.988 138 E CA 1.154 57.540 56.400 -0.024 0.000 0.804 138 E CB -0.206 29.477 29.700 -0.028 0.000 0.745 138 E HN 0.620 nan 8.360 nan 0.000 0.458 139 A N 0.910 123.730 122.820 -0.001 0.000 1.972 139 A HA -0.027 4.294 4.320 0.001 0.000 0.219 139 A C 2.297 179.892 177.584 0.019 0.000 1.169 139 A CA 1.526 53.567 52.037 0.006 0.000 0.635 139 A CB -0.516 18.487 19.000 0.006 0.000 0.810 139 A HN 0.406 nan 8.150 nan 0.000 0.446 140 A N -0.852 121.987 122.820 0.033 0.000 2.119 140 A HA 0.288 4.609 4.320 0.001 0.000 0.216 140 A C 1.188 178.845 177.584 0.121 0.000 1.152 140 A CA 0.228 52.310 52.037 0.074 0.000 0.708 140 A CB -0.401 18.649 19.000 0.084 0.000 0.805 140 A HN 0.544 nan 8.150 nan 0.000 0.460 141 M N 0.716 120.359 119.600 0.072 0.000 2.228 141 M HA 0.280 4.761 4.480 0.001 0.000 0.351 141 M C 0.338 176.677 176.300 0.065 0.000 1.233 141 M CA 0.624 55.973 55.300 0.082 0.000 1.129 141 M CB 0.608 33.222 32.600 0.024 0.000 1.604 141 M HN 0.268 nan 8.290 nan 0.000 0.457 142 R N 0.982 121.537 120.500 0.091 0.000 2.987 142 R HA 0.330 4.671 4.340 0.001 0.000 0.248 142 R C -0.114 176.213 176.300 0.044 0.000 1.264 142 R CA -1.104 55.018 56.100 0.037 0.000 1.026 142 R CB 0.697 30.986 30.300 -0.018 0.000 1.286 142 R HN 0.547 nan 8.270 nan 0.000 0.483 143 D N 1.096 121.510 120.400 0.023 0.000 2.269 143 D HA -0.110 4.530 4.640 0.001 0.000 0.208 143 D C 0.680 177.005 176.300 0.042 0.000 0.963 143 D CA 1.338 55.353 54.000 0.025 0.000 0.864 143 D CB 0.048 40.857 40.800 0.014 0.000 0.936 143 D HN 0.492 nan 8.370 nan 0.000 0.505 144 D N -0.446 119.986 120.400 0.054 0.000 2.368 144 D HA -0.029 4.611 4.640 0.001 0.000 0.218 144 D C -0.062 176.326 176.300 0.146 0.000 1.112 144 D CA -0.052 53.996 54.000 0.081 0.000 0.834 144 D CB -0.448 40.388 40.800 0.059 0.000 0.953 144 D HN -0.211 nan 8.370 nan 0.000 0.505 145 T N 1.673 116.324 114.554 0.161 0.000 2.761 145 T HA 0.303 4.653 4.350 0.001 0.000 0.296 145 T C 1.479 176.217 174.700 0.064 0.000 0.934 145 T CA -0.471 61.732 62.100 0.171 0.000 1.091 145 T CB 1.039 70.011 68.868 0.173 0.000 0.896 145 T HN 0.265 nan 8.240 nan 0.000 0.515 146 I N 1.010 121.605 120.570 0.042 0.000 4.181 146 I HA 0.563 4.734 4.170 0.001 0.000 0.331 146 I C -0.181 175.902 176.117 -0.056 0.000 1.312 146 I CA -0.199 61.103 61.300 0.004 0.000 1.146 146 I CB 0.456 38.505 38.000 0.082 0.000 1.074 146 I HN 0.328 nan 8.210 nan 0.000 0.402 147 L N 1.118 122.305 121.223 -0.061 0.000 2.545 147 L HA 0.723 5.063 4.340 0.001 0.000 0.258 147 L C -1.679 175.152 176.870 -0.064 0.000 0.942 147 L CA -0.544 54.260 54.840 -0.060 0.000 0.855 147 L CB 2.383 44.401 42.059 -0.068 0.000 1.374 147 L HN -0.138 nan 8.230 nan 0.000 0.411 148 V N 2.445 122.374 119.914 0.024 0.000 2.709 148 V HA 0.774 4.895 4.120 0.001 0.000 0.308 148 V C -0.708 175.509 176.094 0.205 0.000 1.062 148 V CA -0.468 61.868 62.300 0.060 0.000 0.901 148 V CB 1.997 33.840 31.823 0.033 0.000 1.003 148 V HN 0.769 nan 8.190 nan 0.000 0.425 149 S N 5.478 121.269 115.700 0.152 0.000 2.756 149 S HA 0.744 5.215 4.470 0.001 0.000 0.303 149 S C -1.243 173.452 174.600 0.159 0.000 1.135 149 S CA -0.476 57.836 58.200 0.186 0.000 1.066 149 S CB 0.316 63.640 63.200 0.207 0.000 1.008 149 S HN 0.484 nan 8.310 nan 0.000 0.482 150 I N 6.109 126.795 120.570 0.193 0.000 2.512 150 I HA 0.326 4.496 4.170 0.001 0.000 0.287 150 I C 0.310 176.466 176.117 0.066 0.000 1.069 150 I CA -0.755 60.638 61.300 0.155 0.000 1.056 150 I CB 1.794 39.916 38.000 0.202 0.000 1.229 150 I HN 0.799 nan 8.210 nan 0.000 0.429 151 M N 3.783 123.411 119.600 0.047 0.000 2.245 151 M HA 0.230 4.710 4.480 0.001 0.000 0.330 151 M C 0.876 177.229 176.300 0.088 0.000 1.098 151 M CA 0.364 55.679 55.300 0.025 0.000 1.172 151 M CB 0.983 33.617 32.600 0.056 0.000 1.467 151 M HN 0.630 nan 8.290 nan 0.000 0.454 152 H N 1.645 120.689 119.070 -0.043 0.000 2.284 152 H HA 0.178 4.735 4.556 0.001 0.000 0.304 152 H C -0.418 174.905 175.328 -0.009 0.000 1.069 152 H CA 0.876 56.910 56.048 -0.023 0.000 1.327 152 H CB 0.597 30.339 29.762 -0.035 0.000 1.387 152 H HN 0.526 nan 8.280 nan 0.000 0.498 153 V N 1.389 121.333 119.914 0.052 0.000 2.588 153 V HA 0.081 4.201 4.120 0.001 0.000 0.304 153 V C -0.675 175.425 176.094 0.009 0.000 1.042 153 V CA -0.864 61.420 62.300 -0.028 0.000 0.877 153 V CB 1.545 33.296 31.823 -0.120 0.000 0.996 153 V HN 0.394 nan 8.190 nan 0.000 0.425 154 N N 3.691 122.401 118.700 0.016 0.000 2.497 154 N HA 0.088 4.829 4.740 0.001 0.000 0.271 154 N C 1.393 176.909 175.510 0.010 0.000 1.142 154 N CA -0.192 52.872 53.050 0.024 0.000 0.965 154 N CB 0.786 39.282 38.487 0.014 0.000 1.077 154 N HN 0.738 nan 8.380 nan 0.000 0.462 155 N N 3.273 121.993 118.700 0.034 0.000 2.309 155 N HA -0.168 4.572 4.740 0.001 0.000 0.182 155 N C 0.281 175.791 175.510 0.001 0.000 1.018 155 N CA 1.376 54.446 53.050 0.033 0.000 0.876 155 N CB -0.041 38.508 38.487 0.103 0.000 0.972 155 N HN 0.696 nan 8.380 nan 0.000 0.434 156 E N 0.549 120.731 120.200 -0.031 0.000 2.099 156 E HA 0.106 4.457 4.350 0.001 0.000 0.191 156 E C 1.843 178.407 176.600 -0.061 0.000 0.962 156 E CA 0.716 57.076 56.400 -0.067 0.000 0.826 156 E CB 0.213 29.831 29.700 -0.135 0.000 0.788 156 E HN 0.536 nan 8.360 nan 0.000 0.461 157 I N -3.543 116.993 120.570 -0.057 0.000 4.082 157 I HA 0.447 4.617 4.170 0.001 0.000 0.337 157 I C 1.210 177.299 176.117 -0.047 0.000 1.352 157 I CA 0.313 61.579 61.300 -0.058 0.000 1.097 157 I CB 0.666 38.628 38.000 -0.064 0.000 1.048 157 I HN 0.127 nan 8.210 nan 0.000 0.393 158 G N 2.236 111.017 108.800 -0.032 0.000 2.166 158 G HA2 -0.291 3.669 3.960 0.001 0.000 0.260 158 G HA3 -0.291 3.669 3.960 0.001 0.000 0.260 158 G C 0.332 175.227 174.900 -0.008 0.000 0.986 158 G CA 0.510 45.593 45.100 -0.028 0.000 0.683 158 G HN 0.457 nan 8.290 nan 0.000 0.527 159 V N -0.009 119.914 119.914 0.015 0.000 2.843 159 V HA 0.470 4.591 4.120 0.001 0.000 0.305 159 V C 0.730 176.866 176.094 0.071 0.000 1.065 159 V CA 0.149 62.497 62.300 0.080 0.000 1.116 159 V CB 1.522 33.396 31.823 0.085 0.000 0.968 159 V HN 0.495 nan 8.190 nan 0.000 0.487 160 V N 6.789 126.761 119.914 0.097 0.000 2.459 160 V HA 0.485 4.605 4.120 0.001 0.000 0.295 160 V C -0.085 176.005 176.094 -0.005 0.000 1.029 160 V CA -0.721 61.605 62.300 0.044 0.000 0.874 160 V CB 1.605 33.449 31.823 0.035 0.000 0.985 160 V HN 0.918 nan 8.190 nan 0.000 0.438 161 Q N 1.734 121.571 119.800 0.063 0.000 2.205 161 Q HA 0.326 4.667 4.340 0.001 0.000 0.249 161 Q C -0.418 175.599 176.000 0.029 0.000 0.948 161 Q CA -0.643 55.175 55.803 0.025 0.000 0.895 161 Q CB 1.583 30.354 28.738 0.056 0.000 1.249 161 Q HN 0.664 nan 8.270 nan 0.000 0.458 162 D N 2.147 122.535 120.400 -0.020 0.000 2.558 162 D HA 0.072 4.713 4.640 0.001 0.000 0.221 162 D C 1.295 177.580 176.300 -0.024 0.000 1.143 162 D CA -0.173 53.809 54.000 -0.029 0.000 1.010 162 D CB -0.216 40.552 40.800 -0.053 0.000 1.068 162 D HN 0.578 nan 8.370 nan 0.000 0.511 163 I N -0.269 120.292 120.570 -0.015 0.000 2.361 163 I HA -0.175 3.995 4.170 0.001 0.000 0.251 163 I C 1.919 178.062 176.117 0.043 0.000 1.133 163 I CA 0.897 62.224 61.300 0.045 0.000 1.413 163 I CB -0.213 37.722 38.000 -0.109 0.000 1.073 163 I HN 0.146 nan 8.210 nan 0.000 0.424 164 A N 1.606 124.412 122.820 -0.025 0.000 1.877 164 A HA -0.012 4.309 4.320 0.001 0.000 0.216 164 A C 2.589 180.150 177.584 -0.038 0.000 1.186 164 A CA 2.039 54.063 52.037 -0.022 0.000 0.620 164 A CB -1.026 17.957 19.000 -0.029 0.000 0.822 164 A HN 0.599 nan 8.150 nan 0.000 0.443 165 A N -0.238 122.548 122.820 -0.057 0.000 1.929 165 A HA 0.005 4.325 4.320 0.001 0.000 0.216 165 A C 2.094 179.597 177.584 -0.135 0.000 1.176 165 A CA 1.378 53.368 52.037 -0.078 0.000 0.628 165 A CB -0.566 18.393 19.000 -0.068 0.000 0.816 165 A HN 0.491 nan 8.150 nan 0.000 0.444 166 I N -0.227 120.224 120.570 -0.198 0.000 2.252 166 I HA -0.172 3.999 4.170 0.001 0.000 0.245 166 I C 2.680 178.478 176.117 -0.531 0.000 1.102 166 I CA 1.049 62.108 61.300 -0.402 0.000 1.385 166 I CB -0.612 37.050 38.000 -0.564 0.000 1.064 166 I HN 0.378 nan 8.210 nan 0.000 0.414 167 G N 0.434 109.025 108.800 -0.348 0.000 2.418 167 G HA2 -0.213 3.747 3.960 0.001 0.000 0.217 167 G HA3 -0.213 3.747 3.960 0.001 0.000 0.217 167 G C 1.561 176.407 174.900 -0.090 0.000 1.158 167 G CA 0.484 45.523 45.100 -0.103 0.000 0.771 167 G HN 0.270 nan 8.290 nan 0.000 0.545 168 E N 0.396 120.545 120.200 -0.084 0.000 2.038 168 E HA -0.133 4.218 4.350 0.001 0.000 0.195 168 E C 2.671 179.224 176.600 -0.079 0.000 1.000 168 E CA 1.033 57.396 56.400 -0.062 0.000 0.803 168 E CB -0.413 29.254 29.700 -0.055 0.000 0.750 168 E HN 0.485 nan 8.360 nan 0.000 0.448 169 M N -0.074 119.457 119.600 -0.115 0.000 2.149 169 M HA -0.197 4.283 4.480 0.001 0.000 0.261 169 M C 2.621 178.856 176.300 -0.108 0.000 1.064 169 M CA 1.199 56.433 55.300 -0.109 0.000 1.102 169 M CB -0.405 32.115 32.600 -0.134 0.000 1.369 169 M HN 0.155 nan 8.290 nan 0.000 0.408 170 C N -0.629 118.583 119.300 -0.146 0.000 2.476 170 C HA -0.075 4.385 4.460 0.001 0.000 0.278 170 C C 2.764 177.720 174.990 -0.057 0.000 1.274 170 C CA 0.684 59.637 59.018 -0.109 0.000 1.713 170 C CB -0.928 26.735 27.740 -0.129 0.000 2.039 170 C HN 0.500 nan 8.230 nan 0.000 0.484 171 R N 1.616 122.092 120.500 -0.040 0.000 2.105 171 R HA -0.079 4.261 4.340 0.001 0.000 0.239 171 R C 2.090 178.376 176.300 -0.024 0.000 1.135 171 R CA 1.872 57.960 56.100 -0.020 0.000 0.967 171 R CB -0.576 29.720 30.300 -0.007 0.000 0.861 171 R HN 0.481 nan 8.270 nan 0.000 0.442 172 A N -0.087 122.715 122.820 -0.030 0.000 2.015 172 A HA -0.084 4.236 4.320 0.001 0.000 0.219 172 A C 1.817 179.388 177.584 -0.022 0.000 1.163 172 A CA 1.337 53.359 52.037 -0.024 0.000 0.646 172 A CB -0.223 18.760 19.000 -0.028 0.000 0.806 172 A HN 0.317 nan 8.150 nan 0.000 0.448 173 R N -1.731 118.752 120.500 -0.029 0.000 2.362 173 R HA 0.261 4.602 4.340 0.001 0.000 0.227 173 R C 1.001 177.287 176.300 -0.022 0.000 0.905 173 R CA 0.472 56.558 56.100 -0.023 0.000 1.067 173 R CB 0.221 30.506 30.300 -0.026 0.000 1.078 173 R HN 0.591 nan 8.270 nan 0.000 0.516 174 G N 1.856 110.639 108.800 -0.028 0.000 2.221 174 G HA2 -0.270 3.690 3.960 0.001 0.000 0.265 174 G HA3 -0.270 3.690 3.960 0.001 0.000 0.265 174 G C 0.019 174.881 174.900 -0.063 0.000 1.041 174 G CA -0.009 45.069 45.100 -0.036 0.000 0.807 174 G HN 0.242 nan 8.290 nan 0.000 0.502 175 I N 1.080 121.614 120.570 -0.060 0.000 2.359 175 I HA 0.333 4.504 4.170 0.001 0.000 0.294 175 I C 0.769 176.844 176.117 -0.069 0.000 0.987 175 I CA -1.273 59.985 61.300 -0.071 0.000 1.225 175 I CB 1.180 39.150 38.000 -0.051 0.000 1.366 175 I HN -0.098 nan 8.210 nan 0.000 0.466 176 I N 6.165 126.667 120.570 -0.115 0.000 2.556 176 I HA -0.034 4.137 4.170 0.001 0.000 0.284 176 I C -0.381 175.777 176.117 0.069 0.000 1.114 176 I CA 0.127 61.377 61.300 -0.084 0.000 1.418 176 I CB 0.063 37.949 38.000 -0.189 0.000 1.394 176 I HN 0.429 nan 8.210 nan 0.000 0.552 177 Y N 7.156 127.422 120.300 -0.057 0.000 2.328 177 Y HA 0.326 4.876 4.550 0.001 0.000 0.333 177 Y C -0.317 175.591 175.900 0.013 0.000 0.958 177 Y CA -0.921 57.160 58.100 -0.031 0.000 1.167 177 Y CB 0.541 38.974 38.460 -0.046 0.000 1.151 177 Y HN 0.546 nan 8.280 nan 0.000 0.470 178 H N 5.924 124.826 119.070 -0.279 0.000 2.459 178 H HA 0.674 5.230 4.556 0.001 0.000 0.332 178 H C -1.716 173.262 175.328 -0.583 0.000 1.094 178 H CA -0.634 55.181 56.048 -0.388 0.000 1.224 178 H CB 1.644 31.294 29.762 -0.187 0.000 1.449 178 H HN 0.524 nan 8.280 nan 0.000 0.484 179 V N 5.262 124.451 119.914 -1.208 0.000 2.487 179 V HA 0.043 4.163 4.120 0.001 0.000 0.298 179 V C -0.078 175.504 176.094 -0.852 0.000 1.028 179 V CA -0.875 60.875 62.300 -0.918 0.000 0.860 179 V CB 1.599 33.035 31.823 -0.644 0.000 0.991 179 V HN 0.761 nan 8.190 nan 0.000 0.427 180 D N 4.307 124.391 120.400 -0.526 0.000 2.365 180 D HA 0.434 5.075 4.640 0.001 0.000 0.237 180 D C 0.460 176.696 176.300 -0.108 0.000 1.190 180 D CA -0.192 53.660 54.000 -0.248 0.000 0.867 180 D CB 1.737 42.500 40.800 -0.063 0.000 1.050 180 D HN 0.644 nan 8.370 nan 0.000 0.491 181 A N 3.203 125.986 122.820 -0.061 0.000 2.545 181 A HA 0.148 4.469 4.320 0.001 0.000 0.277 181 A C 1.690 179.348 177.584 0.123 0.000 1.301 181 A CA -0.290 51.806 52.037 0.099 0.000 0.935 181 A CB -0.051 19.085 19.000 0.226 0.000 1.093 181 A HN 0.535 nan 8.150 nan 0.000 0.519 182 T N 0.284 114.868 114.554 0.051 0.000 2.759 182 T HA -0.159 4.192 4.350 0.001 0.000 0.269 182 T C 1.688 176.375 174.700 -0.022 0.000 1.042 182 T CA 1.579 63.696 62.100 0.028 0.000 1.140 182 T CB -0.106 68.731 68.868 -0.052 0.000 0.864 182 T HN 0.486 nan 8.240 nan 0.000 0.455 183 Q N 0.485 120.265 119.800 -0.033 0.000 2.360 183 Q HA 0.148 4.488 4.340 0.001 0.000 0.202 183 Q C 2.325 178.268 176.000 -0.095 0.000 0.915 183 Q CA 0.593 56.359 55.803 -0.062 0.000 0.943 183 Q CB 0.287 28.998 28.738 -0.046 0.000 1.064 183 Q HN 0.705 nan 8.270 nan 0.000 0.511 184 S N -1.640 114.008 115.700 -0.087 0.000 2.564 184 S HA 0.094 4.565 4.470 0.001 0.000 0.231 184 S C 0.940 175.471 174.600 -0.116 0.000 1.067 184 S CA -0.292 57.802 58.200 -0.177 0.000 0.908 184 S CB -0.026 62.937 63.200 -0.395 0.000 0.809 184 S HN -0.026 nan 8.310 nan 0.000 0.491 185 V N 3.179 123.062 119.914 -0.052 0.000 2.509 185 V HA 0.443 4.563 4.120 0.001 0.000 0.297 185 V C 1.644 177.576 176.094 -0.270 0.000 1.014 185 V CA 1.065 63.274 62.300 -0.151 0.000 1.127 185 V CB -0.457 31.267 31.823 -0.166 0.000 0.925 185 V HN 0.883 nan 8.190 nan 0.000 0.480 186 G N 4.200 112.835 108.800 -0.274 0.000 2.176 186 G HA2 -0.257 3.704 3.960 0.001 0.000 0.253 186 G HA3 -0.257 3.704 3.960 0.001 0.000 0.253 186 G C 0.749 175.557 174.900 -0.153 0.000 0.979 186 G CA 0.589 45.536 45.100 -0.254 0.000 0.641 186 G HN 0.669 nan 8.290 nan 0.000 0.530 187 K N -1.085 119.231 120.400 -0.140 0.000 2.362 187 K HA 0.451 4.772 4.320 0.001 0.000 0.203 187 K C 0.831 177.366 176.600 -0.108 0.000 1.198 187 K CA 0.163 56.382 56.287 -0.113 0.000 0.908 187 K CB 0.539 32.968 32.500 -0.119 0.000 1.236 187 K HN 0.292 nan 8.250 nan 0.000 0.487 188 L N 2.931 124.078 121.223 -0.127 0.000 2.334 188 L HA 0.418 4.759 4.340 0.001 0.000 0.276 188 L C -2.548 174.299 176.870 -0.038 0.000 1.014 188 L CA -2.457 52.324 54.840 -0.099 0.000 0.815 188 L CB 1.443 43.384 42.059 -0.196 0.000 1.268 188 L HN -0.167 nan 8.230 nan 0.000 0.428 189 P HA 0.187 nan 4.420 nan 0.000 0.265 189 P C -0.941 176.379 177.300 0.033 0.000 1.193 189 P CA 0.398 63.495 63.100 -0.005 0.000 0.765 189 P CB 0.461 32.157 31.700 -0.006 0.000 0.823 190 I N 2.793 123.360 120.570 -0.005 0.000 2.512 190 I HA 0.287 4.458 4.170 0.001 0.000 0.287 190 I C -0.576 175.507 176.117 -0.057 0.000 1.069 190 I CA -0.365 60.928 61.300 -0.012 0.000 1.056 190 I CB 2.200 40.198 38.000 -0.003 0.000 1.229 190 I HN 0.190 nan 8.210 nan 0.000 0.429 191 D N 6.938 127.301 120.400 -0.063 0.000 2.375 191 D HA 0.225 4.865 4.640 0.001 0.000 0.259 191 D C 0.472 176.719 176.300 -0.088 0.000 1.235 191 D CA -0.404 53.554 54.000 -0.069 0.000 0.924 191 D CB 1.332 42.105 40.800 -0.044 0.000 1.143 191 D HN 0.244 nan 8.370 nan 0.000 0.529 192 L N 2.262 123.398 121.223 -0.144 0.000 2.633 192 L HA -0.058 4.283 4.340 0.001 0.000 0.235 192 L C 2.102 178.933 176.870 -0.066 0.000 1.163 192 L CA 0.873 55.607 54.840 -0.177 0.000 0.859 192 L CB -1.415 40.368 42.059 -0.460 0.000 0.973 192 L HN 0.396 nan 8.230 nan 0.000 0.451 193 S N -1.643 114.032 115.700 -0.041 0.000 2.461 193 S HA -0.085 4.386 4.470 0.001 0.000 0.228 193 S C 1.617 176.215 174.600 -0.003 0.000 1.005 193 S CA 0.316 58.512 58.200 -0.006 0.000 0.942 193 S CB 0.192 63.388 63.200 -0.006 0.000 0.776 193 S HN 0.433 nan 8.310 nan 0.000 0.514 194 Q N 0.049 119.840 119.800 -0.015 0.000 2.481 194 Q HA 0.396 4.737 4.340 0.001 0.000 0.219 194 Q C 0.140 176.134 176.000 -0.010 0.000 0.920 194 Q CA -0.130 55.666 55.803 -0.011 0.000 0.915 194 Q CB -0.616 28.113 28.738 -0.015 0.000 1.057 194 Q HN 0.404 nan 8.270 nan 0.000 0.581 195 L N 2.904 124.113 121.223 -0.024 0.000 2.559 195 L HA -0.062 4.278 4.340 0.001 0.000 0.274 195 L C 0.507 177.383 176.870 0.010 0.000 1.205 195 L CA 0.976 55.803 54.840 -0.022 0.000 0.907 195 L CB 0.215 42.238 42.059 -0.061 0.000 1.153 195 L HN 0.009 nan 8.230 nan 0.000 0.490 196 K N 3.429 123.850 120.400 0.035 0.000 3.001 196 K HA 0.252 4.573 4.320 0.001 0.000 0.257 196 K C -0.754 175.926 176.600 0.133 0.000 1.290 196 K CA -0.230 56.097 56.287 0.066 0.000 1.252 196 K CB 0.141 32.668 32.500 0.044 0.000 1.656 196 K HN 0.301 nan 8.250 nan 0.000 0.351 197 V N 1.250 121.228 119.914 0.106 0.000 2.472 197 V HA 0.068 4.189 4.120 0.001 0.000 0.290 197 V C 0.609 176.788 176.094 0.143 0.000 1.037 197 V CA -0.463 61.885 62.300 0.079 0.000 0.908 197 V CB 1.666 33.434 31.823 -0.091 0.000 0.985 197 V HN 0.437 nan 8.190 nan 0.000 0.454 198 D N 3.090 123.542 120.400 0.085 0.000 2.324 198 D HA 0.207 4.847 4.640 0.001 0.000 0.212 198 D C 0.092 176.394 176.300 0.002 0.000 0.984 198 D CA 0.861 54.895 54.000 0.057 0.000 0.885 198 D CB 0.926 41.728 40.800 0.004 0.000 0.996 198 D HN 0.283 nan 8.370 nan 0.000 0.505 199 L N 0.646 121.878 121.223 0.016 0.000 2.408 199 L HA 0.510 4.850 4.340 0.001 0.000 0.268 199 L C -0.760 176.124 176.870 0.024 0.000 0.986 199 L CA -0.450 54.411 54.840 0.036 0.000 0.820 199 L CB 3.003 45.103 42.059 0.068 0.000 1.303 199 L HN -0.184 nan 8.230 nan 0.000 0.411 200 M N 2.011 121.604 119.600 -0.011 0.000 2.271 200 M HA 0.462 4.943 4.480 0.001 0.000 0.285 200 M C -1.396 174.509 176.300 -0.658 0.000 1.059 200 M CA -0.149 54.946 55.300 -0.343 0.000 0.940 200 M CB 2.227 34.637 32.600 -0.317 0.000 1.636 200 M HN 0.563 nan 8.290 nan 0.000 0.460 201 S N 4.457 119.856 115.700 -0.501 0.000 2.525 201 S HA 0.731 5.202 4.470 0.001 0.000 0.278 201 S C -1.081 173.243 174.600 -0.461 0.000 1.234 201 S CA -0.311 57.647 58.200 -0.405 0.000 1.058 201 S CB 0.508 63.674 63.200 -0.055 0.000 0.983 201 S HN 0.547 nan 8.310 nan 0.000 0.495 202 F N 0.395 120.382 119.950 0.061 0.000 2.620 202 F HA 0.715 5.243 4.527 0.001 0.000 0.320 202 F C 0.482 176.337 175.800 0.091 0.000 1.069 202 F CA -0.939 57.120 58.000 0.098 0.000 0.953 202 F CB 2.038 41.146 39.000 0.181 0.000 1.322 202 F HN 0.539 nan 8.300 nan 0.000 0.479 203 S N -0.647 115.254 115.700 0.335 0.000 2.685 203 S HA 0.685 5.156 4.470 0.001 0.000 0.282 203 S C 0.294 175.044 174.600 0.249 0.000 1.159 203 S CA 0.043 58.367 58.200 0.206 0.000 0.833 203 S CB 1.551 64.790 63.200 0.065 0.000 1.151 203 S HN 0.853 nan 8.310 nan 0.000 0.485 204 G N 0.093 109.017 108.800 0.206 0.000 2.641 204 G HA2 0.051 4.011 3.960 0.001 0.000 0.207 204 G HA3 0.051 4.011 3.960 0.001 0.000 0.207 204 G C 0.921 175.919 174.900 0.163 0.000 1.137 204 G CA 0.663 45.899 45.100 0.227 0.000 0.824 204 G HN 0.961 nan 8.290 nan 0.000 0.547 205 H N -0.174 118.936 119.070 0.066 0.000 2.556 205 H HA 0.319 4.875 4.556 0.001 0.000 0.268 205 H C 1.638 176.946 175.328 -0.033 0.000 0.996 205 H CA 0.632 56.695 56.048 0.025 0.000 1.157 205 H CB 0.354 30.135 29.762 0.030 0.000 1.355 205 H HN 0.079 nan 8.280 nan 0.000 0.597 206 K N 0.393 120.568 120.400 -0.374 0.000 2.367 206 K HA 0.153 4.474 4.320 0.001 0.000 0.194 206 K C 0.158 176.552 176.600 -0.343 0.000 1.027 206 K CA 0.044 56.123 56.287 -0.347 0.000 1.075 206 K CB 0.741 33.056 32.500 -0.309 0.000 0.845 206 K HN 0.388 nan 8.250 nan 0.000 0.529 207 I N -0.029 120.362 120.570 -0.297 0.000 3.083 207 I HA 0.116 4.286 4.170 0.001 0.000 0.336 207 I C -1.037 174.994 176.117 -0.144 0.000 1.497 207 I CA -0.574 60.530 61.300 -0.328 0.000 0.936 207 I CB -0.305 37.584 38.000 -0.185 0.000 1.671 207 I HN 0.180 nan 8.210 nan 0.000 0.535 208 Y N -0.294 120.059 120.300 0.088 0.000 4.604 208 Y HA -0.255 4.295 4.550 0.001 0.000 0.230 208 Y C 1.144 177.126 175.900 0.137 0.000 1.066 208 Y CA 0.538 58.711 58.100 0.121 0.000 1.990 208 Y CB -2.011 36.502 38.460 0.088 0.000 1.619 208 Y HN 0.423 nan 8.280 nan 0.000 0.649 209 G N 0.102 109.020 108.800 0.197 0.000 2.557 209 G HA2 0.675 4.635 3.960 0.001 0.000 0.302 209 G HA3 0.675 4.635 3.960 0.001 0.000 0.302 209 G C -2.557 172.444 174.900 0.168 0.000 1.311 209 G CA -1.419 43.796 45.100 0.191 0.000 1.030 209 G HN 0.000 nan 8.290 nan 0.000 0.509 210 P HA 0.286 nan 4.420 nan 0.000 0.281 210 P C -0.693 176.669 177.300 0.103 0.000 1.249 210 P CA -0.449 62.709 63.100 0.097 0.000 0.810 210 P CB 1.660 33.388 31.700 0.046 0.000 1.008 211 K N 0.292 120.716 120.400 0.041 0.000 2.219 211 K HA 0.409 4.730 4.320 0.001 0.000 0.258 211 K C 1.061 177.644 176.600 -0.029 0.000 1.008 211 K CA 0.441 56.685 56.287 -0.072 0.000 0.928 211 K CB -0.269 32.077 32.500 -0.257 0.000 0.983 211 K HN 0.827 nan 8.250 nan 0.000 0.484 212 G N 0.775 109.564 108.800 -0.017 0.000 2.132 212 G HA2 -0.220 3.740 3.960 0.001 0.000 0.228 212 G HA3 -0.220 3.740 3.960 0.001 0.000 0.228 212 G C -0.471 174.434 174.900 0.008 0.000 1.000 212 G CA 0.057 45.155 45.100 -0.003 0.000 0.693 212 G HN 0.456 nan 8.290 nan 0.000 0.515 213 I N -0.602 119.996 120.570 0.048 0.000 2.841 213 I HA 0.821 4.992 4.170 0.001 0.000 0.298 213 I C 0.119 176.304 176.117 0.113 0.000 1.304 213 I CA 0.252 61.580 61.300 0.047 0.000 1.019 213 I CB 1.933 39.922 38.000 -0.019 0.000 1.282 213 I HN 0.911 nan 8.210 nan 0.000 0.432 214 G N 3.807 112.694 108.800 0.145 0.000 2.554 214 G HA2 0.951 4.912 3.960 0.001 0.000 0.306 214 G HA3 0.951 4.912 3.960 0.001 0.000 0.306 214 G C -2.163 172.848 174.900 0.184 0.000 1.320 214 G CA -0.119 45.079 45.100 0.163 0.000 0.800 214 G HN 1.179 nan 8.290 nan 0.000 0.481 215 A N -1.330 121.577 122.820 0.146 0.000 2.609 215 A HA 0.820 5.141 4.320 0.001 0.000 0.291 215 A C -2.127 175.451 177.584 -0.011 0.000 1.096 215 A CA -0.554 51.519 52.037 0.060 0.000 0.684 215 A CB 1.978 20.993 19.000 0.026 0.000 1.282 215 A HN 1.926 nan 8.150 nan 0.000 0.412 216 L N 0.835 122.011 121.223 -0.078 0.000 2.376 216 L HA 0.640 4.980 4.340 0.001 0.000 0.275 216 L C -1.249 175.559 176.870 -0.103 0.000 0.987 216 L CA -0.446 54.306 54.840 -0.148 0.000 0.828 216 L CB 1.484 43.472 42.059 -0.119 0.000 1.249 216 L HN 0.768 nan 8.230 nan 0.000 0.409 217 Y N 5.444 125.588 120.300 -0.261 0.000 2.359 217 Y HA 0.619 5.169 4.550 0.001 0.000 0.334 217 Y C -1.012 174.822 175.900 -0.111 0.000 1.058 217 Y CA -0.378 57.656 58.100 -0.109 0.000 1.244 217 Y CB 1.076 39.508 38.460 -0.047 0.000 1.187 217 Y HN 0.372 nan 8.280 nan 0.000 0.510 218 V N 8.295 127.747 119.914 -0.770 0.000 2.357 218 V HA 0.319 4.439 4.120 0.001 0.000 0.281 218 V C -0.056 175.542 176.094 -0.827 0.000 1.015 218 V CA -1.101 60.806 62.300 -0.654 0.000 0.827 218 V CB 0.915 32.533 31.823 -0.341 0.000 1.018 218 V HN 0.812 nan 8.190 nan 0.000 0.432 219 R N 3.199 123.169 120.500 -0.885 0.000 2.523 219 R HA 0.000 4.341 4.340 0.001 0.000 0.281 219 R C 1.298 177.459 176.300 -0.231 0.000 0.969 219 R CA 0.495 56.314 56.100 -0.468 0.000 1.093 219 R CB 0.354 30.575 30.300 -0.132 0.000 0.917 219 R HN 0.715 nan 8.270 nan 0.000 0.408 220 R N 2.532 122.957 120.500 -0.124 0.000 2.189 220 R HA 0.053 4.394 4.340 0.001 0.000 0.203 220 R C -0.153 176.127 176.300 -0.032 0.000 1.012 220 R CA 0.751 56.807 56.100 -0.074 0.000 1.015 220 R CB 0.328 30.604 30.300 -0.041 0.000 0.938 220 R HN 0.513 nan 8.270 nan 0.000 0.472 221 K N 0.971 121.368 120.400 -0.005 0.000 2.619 221 K HA 0.319 4.639 4.320 0.001 0.000 0.251 221 K C -2.813 173.802 176.600 0.024 0.000 0.987 221 K CA -1.757 54.536 56.287 0.009 0.000 0.844 221 K CB 1.989 34.498 32.500 0.015 0.000 1.237 221 K HN -0.151 nan 8.250 nan 0.000 0.447 222 P HA 0.105 nan 4.420 nan 0.000 0.268 222 P C -1.017 176.280 177.300 -0.005 0.000 1.204 222 P CA -0.467 62.639 63.100 0.009 0.000 0.768 222 P CB 0.540 32.248 31.700 0.012 0.000 0.842 223 R N 2.537 123.032 120.500 -0.008 0.000 2.504 223 R HA 0.169 4.509 4.340 0.001 0.000 0.291 223 R C -0.861 175.422 176.300 -0.027 0.000 0.974 223 R CA 0.620 56.702 56.100 -0.030 0.000 1.077 223 R CB -0.440 29.847 30.300 -0.022 0.000 0.926 223 R HN 0.222 nan 8.270 nan 0.000 0.407 224 V N 5.884 125.755 119.914 -0.073 0.000 2.628 224 V HA 0.592 4.713 4.120 0.001 0.000 0.306 224 V C 0.155 176.151 176.094 -0.165 0.000 1.045 224 V CA -0.783 61.485 62.300 -0.053 0.000 0.905 224 V CB 2.060 33.833 31.823 -0.083 0.000 0.997 224 V HN 0.769 nan 8.190 nan 0.000 0.436 225 R N 3.576 123.916 120.500 -0.267 0.000 2.837 225 R HA 0.851 5.191 4.340 0.001 0.000 0.271 225 R C -1.226 174.634 176.300 -0.733 0.000 0.993 225 R CA -0.762 54.914 56.100 -0.706 0.000 0.931 225 R CB 2.629 32.112 30.300 -1.361 0.000 1.206 225 R HN 0.816 nan 8.270 nan 0.000 0.474 226 I N -2.798 117.455 120.570 -0.527 0.000 3.006 226 I HA 0.486 4.657 4.170 0.001 0.000 0.306 226 I C -0.950 175.138 176.117 -0.047 0.000 1.250 226 I CA -1.091 60.090 61.300 -0.199 0.000 0.996 226 I CB 2.677 40.609 38.000 -0.113 0.000 1.261 226 I HN 0.432 nan 8.210 nan 0.000 0.442 227 E N 2.807 123.063 120.200 0.094 0.000 2.200 227 E HA 0.537 4.888 4.350 0.001 0.000 0.283 227 E C -0.138 176.478 176.600 0.025 0.000 1.015 227 E CA -0.780 55.689 56.400 0.115 0.000 0.819 227 E CB 1.760 31.548 29.700 0.148 0.000 1.081 227 E HN 0.744 nan 8.360 nan 0.000 0.397 228 A N 3.058 125.868 122.820 -0.018 0.000 2.531 228 A HA -0.055 4.266 4.320 0.001 0.000 0.236 228 A C 0.704 178.180 177.584 -0.180 0.000 1.062 228 A CA 0.082 52.034 52.037 -0.142 0.000 0.760 228 A CB 0.384 19.236 19.000 -0.247 0.000 0.995 228 A HN 0.617 nan 8.150 nan 0.000 0.501 229 Q N 0.171 119.865 119.800 -0.175 0.000 2.317 229 Q HA 0.198 4.538 4.340 0.001 0.000 0.220 229 Q C -0.420 175.497 176.000 -0.137 0.000 0.873 229 Q CA 0.438 56.191 55.803 -0.083 0.000 0.936 229 Q CB 0.429 29.148 28.738 -0.032 0.000 1.105 229 Q HN 0.749 nan 8.270 nan 0.000 0.520 230 M N 0.897 120.329 119.600 -0.280 0.000 2.085 230 M HA 0.282 4.763 4.480 0.001 0.000 0.309 230 M C -1.499 174.605 176.300 -0.326 0.000 0.947 230 M CA -0.268 54.926 55.300 -0.178 0.000 0.918 230 M CB 1.011 33.571 32.600 -0.067 0.000 1.504 230 M HN -0.021 nan 8.290 nan 0.000 0.420 231 H N 1.823 120.909 119.070 0.026 0.000 2.567 231 H HA 0.855 5.412 4.556 0.001 0.000 0.345 231 H C 0.274 175.618 175.328 0.026 0.000 1.169 231 H CA -0.367 55.690 56.048 0.016 0.000 1.227 231 H CB 1.714 31.480 29.762 0.007 0.000 1.607 231 H HN 0.820 nan 8.280 nan 0.000 0.534 232 G N -0.113 108.760 108.800 0.121 0.000 2.441 232 G HA2 0.366 4.326 3.960 0.001 0.000 0.233 232 G HA3 0.366 4.326 3.960 0.001 0.000 0.233 232 G C 0.512 175.411 174.900 -0.002 0.000 1.703 232 G CA -0.094 45.055 45.100 0.081 0.000 1.020 232 G HN 1.208 nan 8.290 nan 0.000 0.600 233 G N -0.634 108.085 108.800 -0.135 0.000 2.284 233 G HA2 0.394 4.354 3.960 0.001 0.000 0.201 233 G HA3 0.394 4.354 3.960 0.001 0.000 0.201 233 G C 1.839 176.406 174.900 -0.556 0.000 0.998 233 G CA 1.315 46.167 45.100 -0.413 0.000 0.651 233 G HN 2.530 nan 8.290 nan 0.000 0.489 234 G N 0.001 108.588 108.800 -0.356 0.000 2.221 234 G HA2 -0.223 3.738 3.960 0.001 0.000 0.265 234 G HA3 -0.223 3.738 3.960 0.001 0.000 0.265 234 G C 0.248 175.016 174.900 -0.220 0.000 1.041 234 G CA 1.187 46.157 45.100 -0.216 0.000 0.807 234 G HN 1.336 nan 8.290 nan 0.000 0.502 235 H N -0.317 118.758 119.070 0.009 0.000 2.730 235 H HA 0.463 5.019 4.556 0.001 0.000 0.376 235 H C 0.999 176.332 175.328 0.008 0.000 1.299 235 H CA 0.349 56.406 56.048 0.015 0.000 1.447 235 H CB 0.401 30.176 29.762 0.022 0.000 1.493 235 H HN 0.229 nan 8.280 nan 0.000 0.619 236 E N 1.067 121.365 120.200 0.164 0.000 2.297 236 E HA -0.295 4.055 4.350 0.001 0.000 0.228 236 E C -0.401 176.217 176.600 0.029 0.000 1.213 236 E CA 0.638 57.091 56.400 0.088 0.000 0.712 236 E CB -1.124 28.626 29.700 0.082 0.000 1.202 236 E HN 0.712 nan 8.360 nan 0.000 0.376 237 R N -1.668 118.847 120.500 0.025 0.000 3.525 237 R HA -0.283 4.058 4.340 0.001 0.000 0.276 237 R C 1.105 177.391 176.300 -0.023 0.000 1.116 237 R CA 1.184 57.281 56.100 -0.005 0.000 0.745 237 R CB -2.215 28.073 30.300 -0.021 0.000 1.185 237 R HN 0.829 nan 8.270 nan 0.000 0.454 238 G N -0.718 108.068 108.800 -0.023 0.000 2.184 238 G HA2 -0.387 3.573 3.960 0.001 0.000 0.264 238 G HA3 -0.387 3.573 3.960 0.001 0.000 0.264 238 G C 0.663 175.532 174.900 -0.052 0.000 0.975 238 G CA 0.660 45.736 45.100 -0.039 0.000 0.642 238 G HN 0.417 nan 8.290 nan 0.000 0.536 239 M N -0.963 118.606 119.600 -0.051 0.000 2.509 239 M HA 0.275 4.755 4.480 0.001 0.000 0.250 239 M C 1.200 177.456 176.300 -0.072 0.000 1.132 239 M CA 0.522 55.779 55.300 -0.072 0.000 1.080 239 M CB 0.503 33.054 32.600 -0.081 0.000 1.408 239 M HN 0.073 nan 8.290 nan 0.000 0.484 240 R N 0.472 120.951 120.500 -0.036 0.000 2.745 240 R HA 0.294 4.635 4.340 0.001 0.000 0.290 240 R C -1.732 174.604 176.300 0.059 0.000 1.260 240 R CA 0.042 56.133 56.100 -0.015 0.000 1.045 240 R CB 1.286 31.592 30.300 0.009 0.000 1.257 240 R HN -0.050 nan 8.270 nan 0.000 0.400 241 S N 0.625 116.356 115.700 0.052 0.000 2.632 241 S HA 0.884 5.354 4.470 0.001 0.000 0.271 241 S C 0.169 174.899 174.600 0.217 0.000 1.260 241 S CA 0.508 58.840 58.200 0.221 0.000 1.010 241 S CB 1.591 64.862 63.200 0.119 0.000 0.965 241 S HN 0.894 nan 8.310 nan 0.000 0.534 242 G N 0.732 109.715 108.800 0.306 0.000 2.334 242 G HA2 0.100 4.060 3.960 0.001 0.000 0.566 242 G HA3 0.100 4.060 3.960 0.001 0.000 0.566 242 G C -0.820 173.971 174.900 -0.181 0.000 1.413 242 G CA -1.124 44.000 45.100 0.040 0.000 0.993 242 G HN 0.661 nan 8.290 nan 0.000 0.642 243 T N 1.004 115.476 114.554 -0.138 0.000 2.916 243 T HA 0.414 4.764 4.350 0.001 0.000 0.303 243 T C 0.593 175.223 174.700 -0.117 0.000 1.025 243 T CA -0.010 61.995 62.100 -0.157 0.000 1.142 243 T CB 0.669 69.494 68.868 -0.072 0.000 0.947 243 T HN 0.473 nan 8.240 nan 0.000 0.544 244 L N 6.924 128.067 121.223 -0.133 0.000 2.315 244 L HA 0.272 4.613 4.340 0.001 0.000 0.283 244 L C -1.542 175.251 176.870 -0.129 0.000 1.089 244 L CA -2.202 52.554 54.840 -0.140 0.000 0.833 244 L CB 0.096 42.066 42.059 -0.150 0.000 1.170 244 L HN 0.421 nan 8.230 nan 0.000 0.442 245 P HA 0.056 nan 4.420 nan 0.000 0.252 245 P C 1.211 178.403 177.300 -0.180 0.000 1.727 245 P CA -0.138 62.903 63.100 -0.100 0.000 1.134 245 P CB 0.562 32.182 31.700 -0.133 0.000 1.876 246 V N 3.246 123.112 119.914 -0.080 0.000 2.233 246 V HA -0.324 3.796 4.120 0.001 0.000 0.252 246 V C 2.753 178.742 176.094 -0.175 0.000 1.063 246 V CA 2.611 64.830 62.300 -0.134 0.000 1.032 246 V CB -1.617 30.206 31.823 0.002 0.000 0.645 246 V HN 0.611 nan 8.190 nan 0.000 0.446 247 H N 0.078 119.098 119.070 -0.082 0.000 2.387 247 H HA -0.171 4.385 4.556 0.001 0.000 0.299 247 H C 2.071 177.345 175.328 -0.089 0.000 1.099 247 H CA 1.834 57.860 56.048 -0.037 0.000 1.315 247 H CB -0.650 29.169 29.762 0.094 0.000 1.380 247 H HN 0.454 nan 8.280 nan 0.000 0.513 248 Q N 0.690 120.009 119.800 -0.802 0.000 2.079 248 Q HA 0.005 4.346 4.340 0.001 0.000 0.200 248 Q C 2.863 178.657 176.000 -0.344 0.000 0.974 248 Q CA 0.997 56.470 55.803 -0.550 0.000 0.840 248 Q CB -0.048 28.370 28.738 -0.533 0.000 0.898 248 Q HN 0.536 nan 8.270 nan 0.000 0.430 249 I N 0.107 120.423 120.570 -0.424 0.000 2.226 249 I HA -0.228 3.942 4.170 0.001 0.000 0.245 249 I C 2.301 178.219 176.117 -0.331 0.000 1.100 249 I CA 0.681 61.683 61.300 -0.498 0.000 1.374 249 I CB -0.197 37.319 38.000 -0.807 0.000 1.057 249 I HN -0.031 nan 8.210 nan 0.000 0.413 250 V N 0.931 120.630 119.914 -0.359 0.000 2.407 250 V HA -0.206 3.914 4.120 0.001 0.000 0.248 250 V C 2.534 178.538 176.094 -0.151 0.000 1.055 250 V CA 2.146 64.244 62.300 -0.336 0.000 1.049 250 V CB -1.219 30.211 31.823 -0.655 0.000 0.662 250 V HN 0.573 nan 8.190 nan 0.000 0.455 251 G N -1.089 107.645 108.800 -0.110 0.000 2.402 251 G HA2 -0.305 3.655 3.960 0.001 0.000 0.216 251 G HA3 -0.305 3.655 3.960 0.001 0.000 0.216 251 G C 1.641 176.554 174.900 0.022 0.000 1.162 251 G CA 1.054 46.148 45.100 -0.010 0.000 0.777 251 G HN 0.432 nan 8.290 nan 0.000 0.539 252 M N 0.911 120.496 119.600 -0.024 0.000 2.117 252 M HA 0.037 4.517 4.480 0.001 0.000 0.262 252 M C 2.602 178.889 176.300 -0.022 0.000 1.065 252 M CA 1.890 57.186 55.300 -0.007 0.000 1.114 252 M CB -0.317 32.239 32.600 -0.074 0.000 1.361 252 M HN 0.232 nan 8.290 nan 0.000 0.408 253 G N -0.230 108.542 108.800 -0.045 0.000 2.421 253 G HA2 -0.297 3.663 3.960 0.001 0.000 0.216 253 G HA3 -0.297 3.663 3.960 0.001 0.000 0.216 253 G C 1.207 176.153 174.900 0.076 0.000 1.171 253 G CA 1.344 46.440 45.100 -0.007 0.000 0.775 253 G HN 0.529 nan 8.290 nan 0.000 0.543 254 E N 1.167 121.406 120.200 0.066 0.000 2.077 254 E HA 0.000 4.351 4.350 0.001 0.000 0.193 254 E C 2.645 179.326 176.600 0.135 0.000 0.989 254 E CA 1.552 58.007 56.400 0.090 0.000 0.800 254 E CB -0.655 29.094 29.700 0.082 0.000 0.746 254 E HN 0.291 nan 8.360 nan 0.000 0.452 255 A N -0.574 122.354 122.820 0.181 0.000 1.933 255 A HA -0.165 4.155 4.320 0.001 0.000 0.218 255 A C 1.959 179.695 177.584 0.252 0.000 1.175 255 A CA 1.537 53.713 52.037 0.233 0.000 0.628 255 A CB -0.867 18.306 19.000 0.287 0.000 0.814 255 A HN 0.415 nan 8.150 nan 0.000 0.444 256 Y N -0.596 119.714 120.300 0.018 0.000 2.395 256 Y HA -0.005 4.546 4.550 0.001 0.000 0.293 256 Y C 2.460 178.349 175.900 -0.018 0.000 1.123 256 Y CA 0.975 59.063 58.100 -0.020 0.000 1.227 256 Y CB -0.356 38.072 38.460 -0.054 0.000 1.012 256 Y HN 0.340 nan 8.280 nan 0.000 0.552 257 R N 0.452 121.041 120.500 0.148 0.000 2.066 257 R HA -0.129 4.212 4.340 0.001 0.000 0.232 257 R C 2.056 178.383 176.300 0.046 0.000 1.131 257 R CA 1.639 57.785 56.100 0.078 0.000 0.955 257 R CB -0.500 29.841 30.300 0.070 0.000 0.851 257 R HN 0.291 nan 8.270 nan 0.000 0.432 258 I N 1.054 121.656 120.570 0.054 0.000 2.163 258 I HA -0.294 3.876 4.170 0.001 0.000 0.243 258 I C 2.635 178.750 176.117 -0.003 0.000 1.085 258 I CA 1.482 62.799 61.300 0.029 0.000 1.347 258 I CB -0.473 37.553 38.000 0.044 0.000 1.044 258 I HN 0.319 nan 8.210 nan 0.000 0.408 259 A N 0.617 123.429 122.820 -0.014 0.000 1.908 259 A HA -0.291 4.030 4.320 0.001 0.000 0.218 259 A C 2.401 179.942 177.584 -0.071 0.000 1.181 259 A CA 2.103 54.102 52.037 -0.063 0.000 0.627 259 A CB -0.616 18.295 19.000 -0.148 0.000 0.818 259 A HN 0.390 nan 8.150 nan 0.000 0.445 260 K N -0.670 119.694 120.400 -0.060 0.000 2.063 260 K HA -0.196 4.124 4.320 0.001 0.000 0.208 260 K C 1.781 178.359 176.600 -0.036 0.000 1.048 260 K CA 1.635 57.891 56.287 -0.051 0.000 0.928 260 K CB -0.094 32.387 32.500 -0.031 0.000 0.713 260 K HN 0.418 nan 8.250 nan 0.000 0.442 261 E N 0.639 120.824 120.200 -0.024 0.000 2.072 261 E HA -0.132 4.218 4.350 0.001 0.000 0.190 261 E C 1.393 177.976 176.600 -0.028 0.000 0.982 261 E CA 1.228 57.616 56.400 -0.020 0.000 0.803 261 E CB 0.085 29.779 29.700 -0.009 0.000 0.755 261 E HN 0.512 nan 8.360 nan 0.000 0.453 262 E N 0.037 120.215 120.200 -0.037 0.000 2.481 262 E HA 0.131 4.482 4.350 0.001 0.000 0.198 262 E C 1.809 178.377 176.600 -0.055 0.000 1.027 262 E CA -0.292 56.081 56.400 -0.047 0.000 0.900 262 E CB 0.118 29.782 29.700 -0.059 0.000 0.993 262 E HN 0.115 nan 8.360 nan 0.000 0.482 263 M N 1.525 121.092 119.600 -0.055 0.000 2.110 263 M HA -0.282 4.198 4.480 0.001 0.000 0.257 263 M C 2.358 178.626 176.300 -0.053 0.000 1.071 263 M CA 2.232 57.496 55.300 -0.060 0.000 1.096 263 M CB -0.135 32.425 32.600 -0.067 0.000 1.300 263 M HN 0.234 nan 8.290 nan 0.000 0.411 264 A N -0.538 122.255 122.820 -0.044 0.000 1.873 264 A HA -0.213 4.107 4.320 0.001 0.000 0.218 264 A C 2.093 179.655 177.584 -0.037 0.000 1.193 264 A CA 2.638 54.652 52.037 -0.037 0.000 0.629 264 A CB -1.480 17.502 19.000 -0.030 0.000 0.826 264 A HN 0.639 nan 8.150 nan 0.000 0.447 265 T N -0.814 113.718 114.554 -0.037 0.000 2.777 265 T HA -0.096 4.255 4.350 0.001 0.000 0.266 265 T C 1.929 176.601 174.700 -0.046 0.000 1.040 265 T CA 1.631 63.709 62.100 -0.037 0.000 1.141 265 T CB -0.213 68.635 68.868 -0.033 0.000 0.868 265 T HN 0.599 nan 8.240 nan 0.000 0.444 266 E N 1.064 121.229 120.200 -0.059 0.000 2.047 266 E HA -0.074 4.277 4.350 0.001 0.000 0.191 266 E C 2.073 178.631 176.600 -0.069 0.000 0.987 266 E CA 1.130 57.484 56.400 -0.076 0.000 0.799 266 E CB -0.305 29.337 29.700 -0.096 0.000 0.752 266 E HN 0.204 nan 8.360 nan 0.000 0.449 267 M N 0.318 119.882 119.600 -0.061 0.000 2.159 267 M HA -0.085 4.395 4.480 0.001 0.000 0.263 267 M C 2.228 178.499 176.300 -0.047 0.000 1.063 267 M CA 1.540 56.806 55.300 -0.057 0.000 1.110 267 M CB -1.029 31.538 32.600 -0.055 0.000 1.374 267 M HN 0.260 nan 8.290 nan 0.000 0.411 268 E N 0.043 120.219 120.200 -0.040 0.000 2.150 268 E HA -0.200 4.150 4.350 0.001 0.000 0.193 268 E C 2.253 178.835 176.600 -0.031 0.000 0.985 268 E CA 0.895 57.277 56.400 -0.031 0.000 0.814 268 E CB 0.110 29.795 29.700 -0.026 0.000 0.752 268 E HN 0.377 nan 8.360 nan 0.000 0.466 269 R N 0.174 120.651 120.500 -0.038 0.000 2.066 269 R HA -0.086 4.255 4.340 0.001 0.000 0.232 269 R C 2.409 178.685 176.300 -0.041 0.000 1.131 269 R CA 1.021 57.098 56.100 -0.037 0.000 0.955 269 R CB -0.131 30.142 30.300 -0.045 0.000 0.851 269 R HN 0.225 nan 8.270 nan 0.000 0.432 270 L N 0.040 121.231 121.223 -0.055 0.000 2.093 270 L HA -0.112 4.229 4.340 0.001 0.000 0.208 270 L C 2.818 179.663 176.870 -0.040 0.000 1.085 270 L CA 1.162 55.966 54.840 -0.059 0.000 0.755 270 L CB -0.402 41.609 42.059 -0.079 0.000 0.904 270 L HN 0.233 nan 8.230 nan 0.000 0.435 271 R N 0.152 120.630 120.500 -0.036 0.000 2.096 271 R HA -0.137 4.203 4.340 0.001 0.000 0.235 271 R C 2.246 178.538 176.300 -0.013 0.000 1.127 271 R CA 1.367 57.451 56.100 -0.026 0.000 0.968 271 R CB -0.366 29.918 30.300 -0.026 0.000 0.861 271 R HN 0.411 nan 8.270 nan 0.000 0.440 272 G N 0.595 109.387 108.800 -0.013 0.000 2.402 272 G HA2 -0.199 3.761 3.960 0.001 0.000 0.216 272 G HA3 -0.199 3.761 3.960 0.001 0.000 0.216 272 G C 1.412 176.312 174.900 -0.000 0.000 1.162 272 G CA 0.349 45.446 45.100 -0.005 0.000 0.777 272 G HN 0.206 nan 8.290 nan 0.000 0.539 273 L N -0.060 121.159 121.223 -0.006 0.000 2.141 273 L HA 0.017 4.358 4.340 0.001 0.000 0.209 273 L C 2.940 179.813 176.870 0.005 0.000 1.094 273 L CA 0.763 55.602 54.840 -0.002 0.000 0.763 273 L CB -0.388 41.666 42.059 -0.008 0.000 0.908 273 L HN 0.161 nan 8.230 nan 0.000 0.437 274 R N 1.199 121.700 120.500 0.003 0.000 2.062 274 R HA -0.155 4.186 4.340 0.001 0.000 0.231 274 R C 1.753 178.086 176.300 0.054 0.000 1.136 274 R CA 2.032 58.141 56.100 0.015 0.000 0.948 274 R CB -0.536 29.762 30.300 -0.005 0.000 0.845 274 R HN 0.497 nan 8.270 nan 0.000 0.430 275 N N 0.203 118.935 118.700 0.054 0.000 2.120 275 N HA -0.187 4.554 4.740 0.001 0.000 0.188 275 N C 2.107 177.671 175.510 0.091 0.000 1.024 275 N CA 0.947 54.058 53.050 0.103 0.000 0.852 275 N CB -0.193 38.332 38.487 0.064 0.000 1.003 275 N HN 0.244 nan 8.380 nan 0.000 0.424 276 R N 1.032 121.556 120.500 0.039 0.000 2.096 276 R HA -0.166 4.175 4.340 0.001 0.000 0.240 276 R C 2.235 178.535 176.300 -0.000 0.000 1.139 276 R CA 1.234 57.341 56.100 0.010 0.000 0.952 276 R CB -0.379 29.923 30.300 0.003 0.000 0.854 276 R HN 0.170 nan 8.270 nan 0.000 0.436 277 L N 0.450 121.678 121.223 0.007 0.000 1.994 277 L HA -0.207 4.133 4.340 0.001 0.000 0.208 277 L C 2.087 178.969 176.870 0.019 0.000 1.071 277 L CA 1.946 56.766 54.840 -0.033 0.000 0.745 277 L CB -0.832 41.175 42.059 -0.087 0.000 0.892 277 L HN 0.386 nan 8.230 nan 0.000 0.431 278 W N 0.268 121.499 121.300 -0.115 0.000 2.355 278 W HA -0.266 4.394 4.660 0.001 0.000 0.309 278 W C 2.082 178.555 176.519 -0.077 0.000 1.206 278 W CA 1.423 58.710 57.345 -0.096 0.000 1.284 278 W CB -0.156 29.257 29.460 -0.077 0.000 1.145 278 W HN 0.320 nan 8.180 nan 0.000 0.502 279 N N 0.437 119.038 118.700 -0.164 0.000 2.289 279 N HA -0.114 4.627 4.740 0.001 0.000 0.184 279 N C 1.770 177.117 175.510 -0.273 0.000 1.016 279 N CA 1.723 54.608 53.050 -0.275 0.000 0.872 279 N CB -1.111 37.311 38.487 -0.109 0.000 0.973 279 N HN 0.264 nan 8.380 nan 0.000 0.433 280 G N 0.396 109.079 108.800 -0.194 0.000 2.813 280 G HA2 0.081 4.041 3.960 0.001 0.000 0.209 280 G HA3 0.081 4.041 3.960 0.001 0.000 0.209 280 G C 1.361 176.149 174.900 -0.187 0.000 1.150 280 G CA 0.239 45.243 45.100 -0.160 0.000 0.785 280 G HN 0.495 nan 8.290 nan 0.000 0.535 281 I N -2.891 117.509 120.570 -0.284 0.000 4.655 281 I HA 0.312 4.483 4.170 0.001 0.000 0.333 281 I C 1.968 177.805 176.117 -0.466 0.000 1.312 281 I CA 0.101 61.254 61.300 -0.246 0.000 1.270 281 I CB 0.193 38.148 38.000 -0.074 0.000 1.318 281 I HN 0.053 nan 8.210 nan 0.000 0.456 282 K N 0.837 120.669 120.400 -0.946 0.000 2.360 282 K HA -0.104 4.216 4.320 0.001 0.000 0.201 282 K C 0.633 176.898 176.600 -0.559 0.000 1.046 282 K CA 1.813 57.336 56.287 -1.274 0.000 0.940 282 K CB -0.355 31.082 32.500 -1.772 0.000 0.748 282 K HN 0.261 nan 8.250 nan 0.000 0.465 283 D N 1.117 121.289 120.400 -0.380 0.000 2.323 283 D HA 0.110 4.751 4.640 0.001 0.000 0.209 283 D C 0.655 176.882 176.300 -0.122 0.000 0.973 283 D CA 0.199 54.073 54.000 -0.209 0.000 0.874 283 D CB 0.004 40.705 40.800 -0.165 0.000 0.930 283 D HN 0.229 nan 8.370 nan 0.000 0.521 284 I N 1.796 122.298 120.570 -0.114 0.000 2.845 284 I HA -0.153 4.018 4.170 0.001 0.000 0.296 284 I C 1.884 178.016 176.117 0.025 0.000 1.216 284 I CA -0.141 61.148 61.300 -0.019 0.000 1.438 284 I CB 0.634 38.659 38.000 0.042 0.000 1.342 284 I HN -0.117 nan 8.210 nan 0.000 0.577 285 E N 5.245 125.503 120.200 0.097 0.000 2.194 285 E HA -0.282 4.069 4.350 0.001 0.000 0.246 285 E C 0.387 177.088 176.600 0.167 0.000 0.974 285 E CA 1.962 58.485 56.400 0.205 0.000 0.949 285 E CB 0.059 30.019 29.700 0.433 0.000 0.896 285 E HN 0.526 nan 8.360 nan 0.000 0.550 286 E N 0.091 120.441 120.200 0.250 0.000 2.373 286 E HA 0.245 4.595 4.350 0.001 0.000 0.233 286 E C -0.991 175.701 176.600 0.153 0.000 1.035 286 E CA -0.156 56.351 56.400 0.179 0.000 0.930 286 E CB 0.628 30.490 29.700 0.269 0.000 1.278 286 E HN 0.245 nan 8.360 nan 0.000 0.452 287 V N -0.260 119.627 119.914 -0.046 0.000 2.604 287 V HA 0.606 4.727 4.120 0.001 0.000 0.305 287 V C -1.034 174.967 176.094 -0.154 0.000 1.043 287 V CA -0.876 61.389 62.300 -0.058 0.000 0.888 287 V CB 1.164 32.921 31.823 -0.110 0.000 0.995 287 V HN 0.187 nan 8.190 nan 0.000 0.429 288 Y N 3.548 123.819 120.300 -0.049 0.000 2.409 288 Y HA 0.664 5.215 4.550 0.001 0.000 0.343 288 Y C -0.149 175.716 175.900 -0.060 0.000 0.973 288 Y CA -0.942 57.158 58.100 -0.000 0.000 1.064 288 Y CB 2.143 40.574 38.460 -0.049 0.000 1.207 288 Y HN 0.832 nan 8.280 nan 0.000 0.452 289 L N 4.308 125.534 121.223 0.005 0.000 2.275 289 L HA 0.495 4.835 4.340 0.001 0.000 0.288 289 L C -0.854 175.907 176.870 -0.181 0.000 1.046 289 L CA -0.497 54.151 54.840 -0.320 0.000 0.805 289 L CB 0.496 42.053 42.059 -0.836 0.000 1.193 289 L HN 0.661 nan 8.230 nan 0.000 0.426 290 N N 4.609 123.207 118.700 -0.171 0.000 2.439 290 N HA 0.519 5.260 4.740 0.001 0.000 0.249 290 N C 0.304 175.732 175.510 -0.137 0.000 1.003 290 N CA 0.550 53.530 53.050 -0.116 0.000 0.942 290 N CB 1.689 40.123 38.487 -0.089 0.000 1.115 290 N HN 0.994 nan 8.380 nan 0.000 0.505 291 G N 1.796 110.524 108.800 -0.120 0.000 2.214 291 G HA2 -0.150 3.811 3.960 0.001 0.000 0.200 291 G HA3 -0.150 3.811 3.960 0.001 0.000 0.200 291 G C -1.504 173.293 174.900 -0.171 0.000 1.126 291 G CA -0.351 44.681 45.100 -0.113 0.000 1.284 291 G HN 0.560 nan 8.290 nan 0.000 0.493 292 D N -0.438 119.796 120.400 -0.276 0.000 2.251 292 D HA 0.482 5.122 4.640 0.001 0.000 0.210 292 D C 1.011 177.059 176.300 -0.419 0.000 1.304 292 D CA 0.477 54.225 54.000 -0.421 0.000 0.912 292 D CB 0.352 40.661 40.800 -0.819 0.000 1.553 292 D HN 1.451 nan 8.370 nan 0.000 0.526 293 L N 2.514 123.516 121.223 -0.369 0.000 2.786 293 L HA 0.148 4.488 4.340 0.001 0.000 0.250 293 L C 1.445 178.191 176.870 -0.206 0.000 1.151 293 L CA 1.165 55.816 54.840 -0.314 0.000 0.910 293 L CB -0.639 41.173 42.059 -0.411 0.000 1.082 293 L HN 0.376 nan 8.230 nan 0.000 0.433 294 E N -1.315 118.737 120.200 -0.248 0.000 2.520 294 E HA 0.032 4.382 4.350 0.001 0.000 0.201 294 E C 1.981 178.529 176.600 -0.087 0.000 0.894 294 E CA 1.131 57.444 56.400 -0.145 0.000 1.161 294 E CB 0.022 29.657 29.700 -0.110 0.000 1.137 294 E HN 1.038 nan 8.360 nan 0.000 0.510 295 H N -0.506 118.540 119.070 -0.040 0.000 2.592 295 H HA 0.391 4.948 4.556 0.001 0.000 0.265 295 H C 1.004 176.306 175.328 -0.043 0.000 0.955 295 H CA 0.380 56.408 56.048 -0.033 0.000 1.175 295 H CB -0.537 29.213 29.762 -0.021 0.000 1.433 295 H HN 0.041 nan 8.280 nan 0.000 0.537 296 G N 0.565 109.380 108.800 0.025 0.000 2.683 296 G HA2 0.363 4.323 3.960 0.001 0.000 0.260 296 G HA3 0.363 4.323 3.960 0.001 0.000 0.260 296 G C -0.007 174.891 174.900 -0.002 0.000 1.238 296 G CA -0.206 44.929 45.100 0.059 0.000 0.934 296 G HN 0.708 nan 8.290 nan 0.000 0.534 297 A N 0.575 123.378 122.820 -0.028 0.000 2.520 297 A HA 0.401 4.722 4.320 0.001 0.000 0.235 297 A C -0.479 177.071 177.584 -0.056 0.000 1.065 297 A CA -0.348 51.656 52.037 -0.056 0.000 0.764 297 A CB 0.374 19.335 19.000 -0.065 0.000 1.002 297 A HN 0.506 nan 8.150 nan 0.000 0.502 298 P HA -0.082 nan 4.420 nan 0.000 0.233 298 P C 0.404 177.675 177.300 -0.048 0.000 1.167 298 P CA 0.999 64.068 63.100 -0.051 0.000 0.770 298 P CB 0.123 31.793 31.700 -0.051 0.000 0.837 299 N N -0.330 118.341 118.700 -0.049 0.000 2.184 299 N HA 0.093 4.833 4.740 0.001 0.000 0.206 299 N C 0.157 175.662 175.510 -0.009 0.000 1.151 299 N CA -0.195 52.830 53.050 -0.041 0.000 0.878 299 N CB 0.256 38.705 38.487 -0.063 0.000 1.014 299 N HN 0.174 nan 8.380 nan 0.000 0.512 300 I N 1.147 121.710 120.570 -0.013 0.000 2.474 300 I HA 0.371 4.541 4.170 0.001 0.000 0.294 300 I C -1.232 174.887 176.117 0.003 0.000 1.005 300 I CA -1.092 60.214 61.300 0.009 0.000 1.113 300 I CB 2.273 40.266 38.000 -0.012 0.000 1.289 300 I HN -0.104 nan 8.210 nan 0.000 0.436 301 L N 7.251 128.515 121.223 0.069 0.000 2.446 301 L HA 0.470 4.811 4.340 0.001 0.000 0.268 301 L C -1.126 175.832 176.870 0.147 0.000 0.975 301 L CA -0.110 54.769 54.840 0.064 0.000 0.848 301 L CB 1.325 43.453 42.059 0.114 0.000 1.225 301 L HN 0.499 nan 8.230 nan 0.000 0.410 302 N N 4.477 123.183 118.700 0.011 0.000 2.446 302 N HA 0.631 5.372 4.740 0.001 0.000 0.265 302 N C -1.387 174.106 175.510 -0.029 0.000 0.975 302 N CA -0.151 52.905 53.050 0.009 0.000 0.928 302 N CB 1.955 40.413 38.487 -0.048 0.000 1.160 302 N HN 0.461 nan 8.380 nan 0.000 0.495 303 V N 0.526 120.466 119.914 0.043 0.000 2.876 303 V HA 0.696 4.816 4.120 0.001 0.000 0.312 303 V C -0.190 175.812 176.094 -0.154 0.000 1.085 303 V CA -0.740 61.517 62.300 -0.071 0.000 0.945 303 V CB 1.622 33.415 31.823 -0.050 0.000 1.017 303 V HN 0.477 nan 8.190 nan 0.000 0.428 304 S N 3.474 119.063 115.700 -0.184 0.000 2.475 304 S HA 0.807 5.278 4.470 0.001 0.000 0.298 304 S C -0.976 173.495 174.600 -0.216 0.000 1.119 304 S CA -0.205 57.936 58.200 -0.099 0.000 1.085 304 S CB 1.026 64.200 63.200 -0.044 0.000 1.028 304 S HN 0.613 nan 8.310 nan 0.000 0.489 305 F N 2.534 122.559 119.950 0.124 0.000 2.347 305 F HA 0.386 4.913 4.527 0.001 0.000 0.366 305 F C 0.693 176.541 175.800 0.080 0.000 1.107 305 F CA -1.025 57.056 58.000 0.135 0.000 1.058 305 F CB 0.577 39.644 39.000 0.112 0.000 1.236 305 F HN 0.405 nan 8.300 nan 0.000 0.456 306 N N 1.804 120.615 118.700 0.185 0.000 2.444 306 N HA 0.066 4.806 4.740 0.001 0.000 0.255 306 N C -0.195 175.342 175.510 0.045 0.000 1.255 306 N CA 0.122 53.115 53.050 -0.094 0.000 0.933 306 N CB 0.207 38.495 38.487 -0.331 0.000 1.143 306 N HN 0.527 nan 8.380 nan 0.000 0.453 307 Y N -2.172 118.226 120.300 0.163 0.000 3.929 307 Y HA -0.228 4.323 4.550 0.001 0.000 0.225 307 Y C -0.221 175.850 175.900 0.284 0.000 1.200 307 Y CA 0.515 58.754 58.100 0.231 0.000 1.791 307 Y CB -2.344 36.294 38.460 0.296 0.000 1.561 307 Y HN 0.279 nan 8.280 nan 0.000 0.657 308 V N -3.272 116.797 119.914 0.258 0.000 2.808 308 V HA 0.777 4.898 4.120 0.001 0.000 0.308 308 V C -0.042 176.124 176.094 0.121 0.000 1.099 308 V CA -1.674 60.739 62.300 0.188 0.000 0.920 308 V CB 2.318 34.228 31.823 0.144 0.000 1.014 308 V HN 0.007 nan 8.190 nan 0.000 0.425 309 E N 3.376 123.629 120.200 0.089 0.000 2.220 309 E HA 0.411 4.761 4.350 0.001 0.000 0.272 309 E C 1.365 177.983 176.600 0.031 0.000 1.099 309 E CA 0.787 57.218 56.400 0.051 0.000 0.907 309 E CB 1.072 30.792 29.700 0.033 0.000 1.022 309 E HN 0.974 nan 8.360 nan 0.000 0.428 310 G N 3.218 112.043 108.800 0.041 0.000 2.462 310 G HA2 -0.394 3.566 3.960 0.001 0.000 0.220 310 G HA3 -0.394 3.566 3.960 0.001 0.000 0.220 310 G C 1.507 176.406 174.900 -0.001 0.000 1.121 310 G CA 0.973 46.102 45.100 0.048 0.000 0.758 310 G HN 0.636 nan 8.290 nan 0.000 0.559 311 E N 0.621 120.792 120.200 -0.047 0.000 2.219 311 E HA -0.128 4.222 4.350 0.001 0.000 0.198 311 E C 2.382 178.963 176.600 -0.031 0.000 0.998 311 E CA 2.021 58.385 56.400 -0.060 0.000 0.818 311 E CB -0.699 28.954 29.700 -0.079 0.000 0.741 311 E HN 0.776 nan 8.360 nan 0.000 0.477 312 S N -1.526 114.161 115.700 -0.021 0.000 2.559 312 S HA 0.330 4.801 4.470 0.001 0.000 0.226 312 S C 1.788 176.369 174.600 -0.032 0.000 1.000 312 S CA 0.267 58.454 58.200 -0.021 0.000 0.948 312 S CB 0.157 63.348 63.200 -0.015 0.000 0.870 312 S HN 0.420 nan 8.310 nan 0.000 0.497 313 L N 1.155 122.357 121.223 -0.036 0.000 2.005 313 L HA -0.015 4.325 4.340 0.001 0.000 0.207 313 L C 2.186 179.016 176.870 -0.068 0.000 1.072 313 L CA 1.349 56.147 54.840 -0.070 0.000 0.744 313 L CB -0.315 41.706 42.059 -0.064 0.000 0.895 313 L HN 0.259 nan 8.230 nan 0.000 0.433 314 I N -0.105 120.439 120.570 -0.044 0.000 2.264 314 I HA -0.360 3.811 4.170 0.001 0.000 0.248 314 I C 2.602 178.704 176.117 -0.025 0.000 1.111 314 I CA 1.783 63.060 61.300 -0.037 0.000 1.382 314 I CB -0.808 37.178 38.000 -0.023 0.000 1.060 314 I HN 0.421 nan 8.210 nan 0.000 0.418 315 M N -0.066 119.521 119.600 -0.022 0.000 2.159 315 M HA -0.173 4.308 4.480 0.001 0.000 0.263 315 M C 2.435 178.725 176.300 -0.016 0.000 1.063 315 M CA 1.870 57.162 55.300 -0.013 0.000 1.110 315 M CB -0.431 32.161 32.600 -0.012 0.000 1.374 315 M HN 0.229 nan 8.290 nan 0.000 0.411 316 A N 0.446 123.247 122.820 -0.032 0.000 1.902 316 A HA -0.086 4.235 4.320 0.001 0.000 0.217 316 A C 1.702 179.268 177.584 -0.028 0.000 1.181 316 A CA 1.183 53.195 52.037 -0.041 0.000 0.623 316 A CB -0.787 18.169 19.000 -0.074 0.000 0.818 316 A HN 0.496 nan 8.150 nan 0.000 0.443 317 L N -0.032 121.175 121.223 -0.027 0.000 2.888 317 L HA 0.123 4.463 4.340 0.001 0.000 0.237 317 L C 2.359 179.249 176.870 0.033 0.000 1.288 317 L CA 0.183 55.027 54.840 0.007 0.000 1.110 317 L CB -0.600 41.459 42.059 0.000 0.000 1.441 317 L HN 0.482 nan 8.230 nan 0.000 0.474 318 K N -0.349 120.069 120.400 0.030 0.000 2.160 318 K HA -0.211 4.109 4.320 0.001 0.000 0.206 318 K C 1.386 178.026 176.600 0.067 0.000 1.047 318 K CA 1.921 58.231 56.287 0.039 0.000 0.930 318 K CB -0.525 31.994 32.500 0.032 0.000 0.720 318 K HN 0.371 nan 8.250 nan 0.000 0.450 319 D N -0.319 120.141 120.400 0.100 0.000 2.371 319 D HA 0.073 4.714 4.640 0.001 0.000 0.221 319 D C 0.113 176.503 176.300 0.150 0.000 0.986 319 D CA 0.454 54.539 54.000 0.141 0.000 0.899 319 D CB 0.016 40.964 40.800 0.248 0.000 0.902 319 D HN 0.473 nan 8.370 nan 0.000 0.530 320 L N 0.251 121.553 121.223 0.131 0.000 2.365 320 L HA 0.546 4.886 4.340 0.001 0.000 0.273 320 L C -0.131 176.780 176.870 0.069 0.000 1.000 320 L CA -1.108 53.811 54.840 0.133 0.000 0.819 320 L CB 2.169 44.335 42.059 0.178 0.000 1.284 320 L HN -0.283 nan 8.230 nan 0.000 0.418 321 A N 3.928 126.779 122.820 0.051 0.000 2.478 321 A HA 0.659 4.980 4.320 0.001 0.000 0.327 321 A C -0.134 177.371 177.584 -0.131 0.000 1.431 321 A CA -0.405 51.624 52.037 -0.014 0.000 1.014 321 A CB 0.088 19.119 19.000 0.052 0.000 1.143 321 A HN 0.558 nan 8.150 nan 0.000 0.532 322 V N -0.332 119.511 119.914 -0.118 0.000 3.119 322 V HA 0.944 5.064 4.120 0.001 0.000 0.311 322 V C -0.029 175.973 176.094 -0.155 0.000 1.259 322 V CA -0.524 61.666 62.300 -0.184 0.000 1.067 322 V CB 1.376 33.028 31.823 -0.285 0.000 1.123 322 V HN 0.747 nan 8.190 nan 0.000 0.463 323 S N -1.098 114.497 115.700 -0.175 0.000 2.599 323 S HA 0.674 5.145 4.470 0.001 0.000 0.287 323 S C 0.568 175.097 174.600 -0.118 0.000 1.105 323 S CA 0.146 58.278 58.200 -0.114 0.000 0.899 323 S CB 1.996 65.145 63.200 -0.084 0.000 1.100 323 S HN 1.774 nan 8.310 nan 0.000 0.482 324 S N 1.564 117.223 115.700 -0.069 0.000 2.524 324 S HA 0.413 4.883 4.470 0.001 0.000 0.222 324 S C 1.440 176.008 174.600 -0.055 0.000 1.040 324 S CA 0.821 58.991 58.200 -0.049 0.000 0.915 324 S CB 0.267 63.465 63.200 -0.003 0.000 0.831 324 S HN 2.048 nan 8.310 nan 0.000 0.492 325 G N 1.825 110.593 108.800 -0.055 0.000 2.241 325 G HA2 -0.289 3.672 3.960 0.001 0.000 0.244 325 G HA3 -0.289 3.672 3.960 0.001 0.000 0.244 325 G C 0.286 175.153 174.900 -0.054 0.000 0.998 325 G CA 0.220 45.274 45.100 -0.076 0.000 0.621 325 G HN 1.547 nan 8.290 nan 0.000 0.519 326 S N 0.659 116.346 115.700 -0.022 0.000 2.562 326 S HA 0.744 5.214 4.470 0.001 0.000 0.281 326 S C 0.701 175.322 174.600 0.035 0.000 1.333 326 S CA 0.690 58.896 58.200 0.010 0.000 1.052 326 S CB 1.851 65.109 63.200 0.096 0.000 0.884 326 S HN 1.890 nan 8.310 nan 0.000 0.506 335 P HA 0.408 nan 4.420 nan 0.000 0.278 335 P C 0.439 177.625 177.300 -0.190 0.000 1.258 335 P CA -0.083 62.732 63.100 -0.474 0.000 0.811 335 P CB 1.567 32.782 31.700 -0.808 0.000 1.063 336 S N 1.071 116.663 115.700 -0.179 0.000 2.702 336 S HA -0.140 4.331 4.470 0.001 0.000 0.314 336 S C 1.112 175.634 174.600 -0.131 0.000 1.244 336 S CA -0.081 58.021 58.200 -0.164 0.000 1.058 336 S CB -0.636 62.444 63.200 -0.199 0.000 0.783 336 S HN 0.469 nan 8.310 nan 0.000 0.503 337 Y N 3.954 124.205 120.300 -0.081 0.000 2.516 337 Y HA 0.177 4.728 4.550 0.001 0.000 0.291 337 Y C 1.615 177.481 175.900 -0.056 0.000 1.131 337 Y CA 0.685 58.742 58.100 -0.071 0.000 1.281 337 Y CB -0.712 37.707 38.460 -0.068 0.000 1.013 337 Y HN 0.403 nan 8.280 nan 0.000 0.554 338 V N 1.186 120.792 119.914 -0.512 0.000 2.323 338 V HA -0.233 3.887 4.120 0.001 0.000 0.244 338 V C 2.495 178.501 176.094 -0.147 0.000 1.041 338 V CA 1.727 63.839 62.300 -0.312 0.000 1.025 338 V CB -0.588 31.002 31.823 -0.388 0.000 0.656 338 V HN 0.485 nan 8.190 nan 0.000 0.451 339 L N -0.480 120.646 121.223 -0.161 0.000 2.046 339 L HA -0.188 4.153 4.340 0.001 0.000 0.208 339 L C 2.781 179.602 176.870 -0.081 0.000 1.077 339 L CA 1.690 56.462 54.840 -0.113 0.000 0.747 339 L CB -0.629 41.356 42.059 -0.122 0.000 0.896 339 L HN 0.256 nan 8.230 nan 0.000 0.432 340 R N -0.002 120.455 120.500 -0.071 0.000 2.096 340 R HA -0.139 4.201 4.340 0.001 0.000 0.235 340 R C 2.381 178.671 176.300 -0.017 0.000 1.127 340 R CA 1.324 57.399 56.100 -0.042 0.000 0.968 340 R CB -0.490 29.797 30.300 -0.022 0.000 0.861 340 R HN 0.349 nan 8.270 nan 0.000 0.440 341 A N 0.987 123.809 122.820 0.004 0.000 2.015 341 A HA -0.070 4.250 4.320 0.001 0.000 0.219 341 A C 2.068 179.654 177.584 0.004 0.000 1.163 341 A CA 0.967 53.018 52.037 0.023 0.000 0.646 341 A CB -0.343 18.694 19.000 0.061 0.000 0.806 341 A HN 0.181 nan 8.150 nan 0.000 0.448 342 L N -1.976 119.236 121.223 -0.018 0.000 2.240 342 L HA 0.100 4.440 4.340 0.001 0.000 0.211 342 L C 1.841 178.696 176.870 -0.026 0.000 1.106 342 L CA 0.923 55.749 54.840 -0.022 0.000 0.793 342 L CB -0.194 41.842 42.059 -0.039 0.000 0.927 342 L HN 0.594 nan 8.230 nan 0.000 0.446 343 G N -1.214 107.566 108.800 -0.034 0.000 2.227 343 G HA2 -0.145 3.815 3.960 0.001 0.000 0.168 343 G HA3 -0.145 3.815 3.960 0.001 0.000 0.168 343 G C 0.055 174.919 174.900 -0.060 0.000 1.006 343 G CA -0.695 44.382 45.100 -0.037 0.000 0.684 343 G HN -0.024 nan 8.290 nan 0.000 0.489 344 L N 1.970 123.147 121.223 -0.076 0.000 2.439 344 L HA 0.332 4.672 4.340 0.001 0.000 0.269 344 L C 0.950 177.769 176.870 -0.086 0.000 1.179 344 L CA -0.167 54.611 54.840 -0.103 0.000 0.828 344 L CB 0.030 42.020 42.059 -0.115 0.000 1.106 344 L HN 0.617 nan 8.230 nan 0.000 0.467 345 N N 0.326 118.971 118.700 -0.091 0.000 2.424 345 N HA 0.032 4.773 4.740 0.001 0.000 0.257 345 N C 0.407 175.883 175.510 -0.056 0.000 1.250 345 N CA -0.468 52.544 53.050 -0.062 0.000 0.946 345 N CB 0.559 39.012 38.487 -0.057 0.000 1.175 345 N HN 0.370 nan 8.380 nan 0.000 0.477 346 D N 0.006 120.389 120.400 -0.029 0.000 2.172 346 D HA -0.199 4.441 4.640 0.001 0.000 0.196 346 D C 1.153 177.486 176.300 0.055 0.000 0.999 346 D CA 1.530 55.521 54.000 -0.014 0.000 0.856 346 D CB -0.091 40.736 40.800 0.046 0.000 0.934 346 D HN 0.714 nan 8.370 nan 0.000 0.453 347 E N 0.066 120.302 120.200 0.061 0.000 2.028 347 E HA -0.092 4.258 4.350 0.001 0.000 0.191 347 E C 2.398 179.026 176.600 0.047 0.000 0.988 347 E CA 0.292 56.742 56.400 0.084 0.000 0.799 347 E CB -0.132 29.587 29.700 0.032 0.000 0.755 347 E HN 0.257 nan 8.360 nan 0.000 0.447 348 L N 0.673 121.874 121.223 -0.037 0.000 2.046 348 L HA -0.195 4.145 4.340 0.001 0.000 0.208 348 L C 2.591 179.440 176.870 -0.035 0.000 1.077 348 L CA 1.048 55.847 54.840 -0.068 0.000 0.747 348 L CB -0.465 41.496 42.059 -0.163 0.000 0.896 348 L HN 0.152 nan 8.230 nan 0.000 0.432 349 A N -0.982 121.797 122.820 -0.069 0.000 1.917 349 A HA -0.286 4.035 4.320 0.001 0.000 0.219 349 A C 2.073 179.605 177.584 -0.087 0.000 1.182 349 A CA 1.707 53.679 52.037 -0.108 0.000 0.633 349 A CB -0.841 18.054 19.000 -0.175 0.000 0.819 349 A HN 0.468 nan 8.150 nan 0.000 0.448 350 H N 0.513 119.577 119.070 -0.011 0.000 2.353 350 H HA -0.054 4.503 4.556 0.001 0.000 0.300 350 H C 1.740 177.081 175.328 0.021 0.000 1.090 350 H CA 1.644 57.693 56.048 0.002 0.000 1.327 350 H CB -0.357 29.407 29.762 0.004 0.000 1.383 350 H HN 0.599 nan 8.280 nan 0.000 0.508 351 S N 0.709 116.511 115.700 0.171 0.000 2.994 351 S HA 0.259 4.730 4.470 0.001 0.000 0.247 351 S C 0.133 174.869 174.600 0.227 0.000 1.323 351 S CA -0.517 57.785 58.200 0.171 0.000 1.246 351 S CB -0.015 63.284 63.200 0.166 0.000 0.994 351 S HN 0.007 nan 8.310 nan 0.000 0.484 352 S N 1.636 117.427 115.700 0.152 0.000 2.513 352 S HA 0.689 5.159 4.470 0.001 0.000 0.299 352 S C -0.595 174.066 174.600 0.102 0.000 1.087 352 S CA -0.755 57.526 58.200 0.136 0.000 1.012 352 S CB 0.934 64.147 63.200 0.023 0.000 1.044 352 S HN 0.431 nan 8.310 nan 0.000 0.485 353 I N 2.593 123.237 120.570 0.124 0.000 2.545 353 I HA 0.458 4.628 4.170 0.001 0.000 0.292 353 I C -0.003 175.988 176.117 -0.210 0.000 1.040 353 I CA -0.624 60.620 61.300 -0.093 0.000 1.068 353 I CB 1.862 39.753 38.000 -0.182 0.000 1.251 353 I HN 0.561 nan 8.210 nan 0.000 0.424 354 R N 6.004 126.330 120.500 -0.289 0.000 2.295 354 R HA 0.497 4.838 4.340 0.001 0.000 0.324 354 R C -1.965 174.159 176.300 -0.294 0.000 0.968 354 R CA -0.313 55.675 56.100 -0.186 0.000 0.837 354 R CB 0.825 31.063 30.300 -0.104 0.000 1.133 354 R HN 0.308 nan 8.270 nan 0.000 0.450 355 F N 2.502 122.474 119.950 0.036 0.000 2.388 355 F HA 0.270 4.797 4.527 0.001 0.000 0.358 355 F C 0.241 176.059 175.800 0.029 0.000 1.122 355 F CA -0.519 57.507 58.000 0.044 0.000 1.056 355 F CB 2.047 41.092 39.000 0.074 0.000 1.155 355 F HN 0.437 nan 8.300 nan 0.000 0.461 356 S N 4.671 120.479 115.700 0.179 0.000 2.552 356 S HA 0.779 5.249 4.470 0.001 0.000 0.314 356 S C -0.795 173.922 174.600 0.195 0.000 1.099 356 S CA -0.891 57.395 58.200 0.144 0.000 1.070 356 S CB 0.856 64.122 63.200 0.109 0.000 0.998 356 S HN 0.501 nan 8.310 nan 0.000 0.474 357 L N 2.629 123.885 121.223 0.054 0.000 2.399 357 L HA 0.906 5.247 4.340 0.001 0.000 0.265 357 L C 0.825 177.356 176.870 -0.564 0.000 1.089 357 L CA -0.715 54.042 54.840 -0.137 0.000 0.802 357 L CB 1.095 43.103 42.059 -0.084 0.000 1.180 357 L HN 0.917 nan 8.230 nan 0.000 0.454 358 G N -0.298 107.817 108.800 -1.142 0.000 2.788 358 G HA2 0.306 4.267 3.960 0.001 0.000 0.293 358 G HA3 0.306 4.267 3.960 0.001 0.000 0.293 358 G C 0.057 174.567 174.900 -0.650 0.000 1.392 358 G CA -0.682 43.683 45.100 -1.225 0.000 0.810 358 G HN 0.608 nan 8.290 nan 0.000 0.508 359 R N -1.155 119.021 120.500 -0.540 0.000 2.185 359 R HA -0.091 4.249 4.340 0.001 0.000 0.247 359 R C 1.005 176.929 176.300 -0.626 0.000 1.159 359 R CA 1.903 57.533 56.100 -0.783 0.000 0.988 359 R CB -0.303 29.066 30.300 -1.551 0.000 0.871 359 R HN 0.474 nan 8.270 nan 0.000 0.458 360 F N -1.018 118.949 119.950 0.028 0.000 2.661 360 F HA 0.240 4.767 4.527 0.001 0.000 0.306 360 F C 0.317 176.186 175.800 0.117 0.000 1.094 360 F CA -0.761 57.297 58.000 0.097 0.000 1.254 360 F CB 0.729 39.838 39.000 0.183 0.000 1.040 360 F HN -0.213 nan 8.300 nan 0.000 0.562 361 T N 1.259 115.903 114.554 0.151 0.000 2.907 361 T HA 0.339 4.689 4.350 0.001 0.000 0.298 361 T C 0.520 175.273 174.700 0.089 0.000 1.017 361 T CA -0.128 62.055 62.100 0.139 0.000 1.118 361 T CB 1.153 70.047 68.868 0.043 0.000 0.948 361 T HN 0.228 nan 8.240 nan 0.000 0.531 362 T N -0.302 114.311 114.554 0.099 0.000 2.926 362 T HA 0.435 4.786 4.350 0.001 0.000 0.289 362 T C 0.982 175.717 174.700 0.059 0.000 1.054 362 T CA -1.032 61.110 62.100 0.069 0.000 1.015 362 T CB 1.676 70.587 68.868 0.071 0.000 1.167 362 T HN 0.515 nan 8.240 nan 0.000 0.526 363 E N 0.139 120.365 120.200 0.043 0.000 2.153 363 E HA -0.173 4.178 4.350 0.001 0.000 0.194 363 E C 1.842 178.474 176.600 0.053 0.000 0.988 363 E CA 1.058 57.480 56.400 0.038 0.000 0.811 363 E CB 0.016 29.732 29.700 0.026 0.000 0.746 363 E HN 0.845 nan 8.360 nan 0.000 0.466 364 E N 1.416 121.650 120.200 0.057 0.000 2.058 364 E HA -0.258 4.092 4.350 0.001 0.000 0.194 364 E C 1.827 178.489 176.600 0.104 0.000 0.997 364 E CA 1.267 57.708 56.400 0.069 0.000 0.801 364 E CB 0.079 29.810 29.700 0.050 0.000 0.746 364 E HN 0.278 nan 8.360 nan 0.000 0.450 365 E N 0.116 120.375 120.200 0.099 0.000 2.077 365 E HA -0.198 4.153 4.350 0.001 0.000 0.193 365 E C 2.205 178.902 176.600 0.162 0.000 0.989 365 E CA 1.035 57.515 56.400 0.133 0.000 0.800 365 E CB -0.029 29.748 29.700 0.129 0.000 0.746 365 E HN 0.336 nan 8.360 nan 0.000 0.452 366 I N 1.864 122.498 120.570 0.105 0.000 2.179 366 I HA -0.248 3.923 4.170 0.001 0.000 0.242 366 I C 1.851 178.001 176.117 0.054 0.000 1.088 366 I CA 1.449 62.788 61.300 0.064 0.000 1.357 366 I CB -1.056 36.962 38.000 0.031 0.000 1.051 366 I HN 0.095 nan 8.210 nan 0.000 0.409 367 D N -0.282 120.156 120.400 0.064 0.000 2.144 367 D HA -0.235 4.405 4.640 0.001 0.000 0.199 367 D C 2.104 178.441 176.300 0.062 0.000 0.984 367 D CA 1.158 55.185 54.000 0.044 0.000 0.834 367 D CB -0.357 40.470 40.800 0.045 0.000 0.955 367 D HN 0.374 nan 8.370 nan 0.000 0.465 368 Y N 1.892 122.198 120.300 0.009 0.000 2.145 368 Y HA -0.244 4.307 4.550 0.001 0.000 0.286 368 Y C 2.399 178.308 175.900 0.016 0.000 1.145 368 Y CA 1.952 60.062 58.100 0.016 0.000 1.148 368 Y CB -0.502 37.976 38.460 0.030 0.000 0.981 368 Y HN -0.130 nan 8.280 nan 0.000 0.507 369 T N 1.539 116.183 114.554 0.149 0.000 2.684 369 T HA -0.245 4.106 4.350 0.001 0.000 0.267 369 T C 1.966 176.629 174.700 -0.062 0.000 1.036 369 T CA 2.233 64.373 62.100 0.066 0.000 1.148 369 T CB -0.586 68.339 68.868 0.095 0.000 0.863 369 T HN 0.382 nan 8.240 nan 0.000 0.436 370 I N 0.905 121.433 120.570 -0.070 0.000 2.151 370 I HA -0.252 3.919 4.170 0.001 0.000 0.243 370 I C 2.755 178.808 176.117 -0.106 0.000 1.080 370 I CA 1.701 62.947 61.300 -0.089 0.000 1.339 370 I CB -0.454 37.500 38.000 -0.076 0.000 1.039 370 I HN 0.396 nan 8.210 nan 0.000 0.409 371 E N 1.217 121.329 120.200 -0.146 0.000 2.017 371 E HA -0.285 4.066 4.350 0.001 0.000 0.193 371 E C 2.273 178.749 176.600 -0.206 0.000 0.997 371 E CA 1.476 57.769 56.400 -0.178 0.000 0.804 371 E CB -0.150 29.414 29.700 -0.226 0.000 0.757 371 E HN 0.296 nan 8.360 nan 0.000 0.448 372 L N 0.851 121.888 121.223 -0.311 0.000 2.081 372 L HA -0.184 4.156 4.340 0.001 0.000 0.212 372 L C 2.216 179.008 176.870 -0.131 0.000 1.080 372 L CA 1.474 56.163 54.840 -0.252 0.000 0.754 372 L CB -0.494 41.394 42.059 -0.285 0.000 0.893 372 L HN 0.103 nan 8.230 nan 0.000 0.433 373 V N -0.352 119.509 119.914 -0.088 0.000 2.270 373 V HA -0.247 3.873 4.120 0.001 0.000 0.245 373 V C 2.695 178.745 176.094 -0.073 0.000 1.043 373 V CA 2.017 64.285 62.300 -0.054 0.000 1.014 373 V CB -0.629 31.219 31.823 0.042 0.000 0.645 373 V HN 0.432 nan 8.190 nan 0.000 0.447 374 R N 0.043 120.507 120.500 -0.060 0.000 2.096 374 R HA -0.236 4.105 4.340 0.001 0.000 0.240 374 R C 2.471 178.718 176.300 -0.089 0.000 1.139 374 R CA 2.111 58.175 56.100 -0.061 0.000 0.952 374 R CB -0.389 29.871 30.300 -0.066 0.000 0.854 374 R HN 0.472 nan 8.270 nan 0.000 0.436 375 K N 0.281 120.621 120.400 -0.101 0.000 2.002 375 K HA -0.113 4.207 4.320 0.001 0.000 0.209 375 K C 2.155 178.688 176.600 -0.110 0.000 1.048 375 K CA 1.895 58.121 56.287 -0.102 0.000 0.930 375 K CB -0.017 32.422 32.500 -0.102 0.000 0.714 375 K HN 0.017 nan 8.250 nan 0.000 0.438 376 S N 1.330 116.960 115.700 -0.116 0.000 2.359 376 S HA -0.158 4.312 4.470 0.001 0.000 0.223 376 S C 1.885 176.395 174.600 -0.151 0.000 1.039 376 S CA 1.434 59.560 58.200 -0.123 0.000 1.042 376 S CB -0.292 62.831 63.200 -0.128 0.000 0.915 376 S HN 0.284 nan 8.310 nan 0.000 0.439 377 I N 1.729 122.192 120.570 -0.179 0.000 2.423 377 I HA -0.129 4.042 4.170 0.001 0.000 0.254 377 I C 2.483 178.472 176.117 -0.213 0.000 1.151 377 I CA 1.234 62.422 61.300 -0.188 0.000 1.421 377 I CB -2.002 35.922 38.000 -0.126 0.000 1.079 377 I HN 0.357 nan 8.210 nan 0.000 0.431 378 G N 0.626 109.312 108.800 -0.191 0.000 2.404 378 G HA2 -0.187 3.774 3.960 0.001 0.000 0.214 378 G HA3 -0.187 3.774 3.960 0.001 0.000 0.214 378 G C 1.881 176.656 174.900 -0.209 0.000 1.189 378 G CA 0.177 45.143 45.100 -0.223 0.000 0.789 378 G HN 0.265 nan 8.290 nan 0.000 0.533 379 R N -0.074 120.340 120.500 -0.142 0.000 2.096 379 R HA 0.003 4.343 4.340 0.001 0.000 0.229 379 R C 2.682 178.919 176.300 -0.104 0.000 1.134 379 R CA 1.351 57.388 56.100 -0.105 0.000 0.917 379 R CB -0.861 29.393 30.300 -0.076 0.000 0.832 379 R HN 0.272 nan 8.270 nan 0.000 0.430 380 L N 0.535 121.699 121.223 -0.099 0.000 2.010 380 L HA -0.296 4.044 4.340 0.001 0.000 0.219 380 L C 2.678 179.510 176.870 -0.064 0.000 1.077 380 L CA 1.691 56.492 54.840 -0.065 0.000 0.773 380 L CB -0.544 41.477 42.059 -0.063 0.000 0.892 380 L HN 0.266 nan 8.230 nan 0.000 0.436 381 R N -0.309 120.084 120.500 -0.177 0.000 2.159 381 R HA -0.171 4.170 4.340 0.001 0.000 0.237 381 R C 1.819 177.988 176.300 -0.219 0.000 1.131 381 R CA 1.369 57.283 56.100 -0.310 0.000 0.982 381 R CB -0.384 29.311 30.300 -1.008 0.000 0.868 381 R HN 0.520 nan 8.270 nan 0.000 0.453 382 D N 0.699 121.005 120.400 -0.157 0.000 2.084 382 D HA -0.091 4.550 4.640 0.001 0.000 0.199 382 D C 1.432 177.766 176.300 0.056 0.000 0.981 382 D CA 1.096 55.081 54.000 -0.025 0.000 0.841 382 D CB -0.068 40.709 40.800 -0.040 0.000 0.997 382 D HN 0.173 nan 8.370 nan 0.000 0.454 383 L N 0.759 121.999 121.223 0.028 0.000 2.718 383 L HA 0.103 4.443 4.340 0.001 0.000 0.242 383 L C 0.694 177.605 176.870 0.069 0.000 1.203 383 L CA -0.107 54.760 54.840 0.045 0.000 1.011 383 L CB -0.028 42.044 42.059 0.021 0.000 1.250 383 L HN -0.165 nan 8.230 nan 0.000 0.437 384 S N 0.009 115.777 115.700 0.114 0.000 2.438 384 S HA 0.350 4.821 4.470 0.001 0.000 0.316 384 S C -1.575 173.139 174.600 0.189 0.000 1.084 384 S CA -1.472 56.819 58.200 0.152 0.000 1.107 384 S CB 1.380 64.699 63.200 0.199 0.000 0.981 384 S HN -0.048 nan 8.310 nan 0.000 0.466 385 P HA -0.103 nan 4.420 nan 0.000 0.216 385 P C 1.457 178.845 177.300 0.147 0.000 1.150 385 P CA 0.444 63.614 63.100 0.118 0.000 0.837 385 P CB 0.153 31.904 31.700 0.085 0.000 0.786 386 L N -0.982 120.354 121.223 0.189 0.000 1.994 386 L HA -0.115 4.226 4.340 0.001 0.000 0.208 386 L C 2.166 179.215 176.870 0.298 0.000 1.071 386 L CA 1.790 56.775 54.840 0.242 0.000 0.745 386 L CB -1.599 40.622 42.059 0.269 0.000 0.892 386 L HN 0.112 nan 8.230 nan 0.000 0.431 387 W N 0.316 121.721 121.300 0.176 0.000 2.363 387 W HA -0.182 4.479 4.660 0.001 0.000 0.296 387 W C 2.129 178.699 176.519 0.084 0.000 1.212 387 W CA 1.431 58.874 57.345 0.164 0.000 1.260 387 W CB -0.027 29.532 29.460 0.166 0.000 1.131 387 W HN 0.274 nan 8.180 nan 0.000 0.530 388 E N 0.653 120.968 120.200 0.192 0.000 2.097 388 E HA -0.302 4.049 4.350 0.001 0.000 0.196 388 E C 2.174 178.720 176.600 -0.090 0.000 1.000 388 E CA 1.918 58.355 56.400 0.061 0.000 0.804 388 E CB -0.862 28.893 29.700 0.092 0.000 0.740 388 E HN 0.424 nan 8.360 nan 0.000 0.454 389 M N -0.470 119.098 119.600 -0.053 0.000 2.117 389 M HA -0.240 4.241 4.480 0.001 0.000 0.262 389 M C 2.275 178.436 176.300 -0.231 0.000 1.065 389 M CA 1.562 56.810 55.300 -0.086 0.000 1.114 389 M CB -0.330 32.278 32.600 0.013 0.000 1.361 389 M HN 0.096 nan 8.290 nan 0.000 0.408 390 Y N 1.590 121.526 120.300 -0.607 0.000 2.070 390 Y HA -0.169 4.381 4.550 0.001 0.000 0.280 390 Y C 0.781 176.240 175.900 -0.735 0.000 1.148 390 Y CA 1.677 59.178 58.100 -0.997 0.000 1.125 390 Y CB -0.599 36.773 38.460 -1.813 0.000 0.975 390 Y HN 0.073 nan 8.280 nan 0.000 0.492 391 K N 2.772 122.548 120.400 -1.040 0.000 2.360 391 K HA 0.248 4.569 4.320 0.001 0.000 0.225 391 K C 0.296 176.615 176.600 -0.469 0.000 1.246 391 K CA 1.012 56.803 56.287 -0.826 0.000 1.198 391 K CB -1.269 30.907 32.500 -0.541 0.000 1.348 391 K HN 0.621 nan 8.250 nan 0.000 0.232 392 Q N 0.000 119.533 119.800 -0.445 0.000 2.315 392 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 392 Q CA 0.000 55.648 55.803 -0.258 0.000 1.022 392 Q CB 0.000 28.617 28.738 -0.201 0.000 1.108 392 Q HN 0.000 nan 8.270 nan 0.000 0.481