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 1efr_1_D DATA FIRST_RESID 9 DATA SEQUENCE TTGRIVAVIG AVVDVQFDEG LPPILNALEV QGRETRLVLE VAQHLGESTV DATA SEQUENCE RTIAMDGTEG LVRGQKVLDS GAPIRIPVGP ETLGRIMNVI GEPIDERGPI DATA SEQUENCE KTKQFAAIHA EAPEFVEMSV EQEILVTGIK VVDLLAPYAK GGKIGLFGGA DATA SEQUENCE GVGKTVLIME LINNVAKAHG GYSVFAGVGE RTREGNDLYH EMIESGVINL DATA SEQUENCE KDATSKVALV YGQMNEPPGA RARVALTGLT VAEYFRDQEG QDVLLFIDNI DATA SEQUENCE FRFTQAGSEV SALLGRIPSA VGYQPTLATD MGTMQERITT TKKGSITSVQ DATA SEQUENCE AIYVPADDLT DPAPATTFAH LDATTVLSRA IAELGIYPAV DPLDSTSRIM DATA SEQUENCE DPNIVGSEHY DVARGVQKIL QDYKSLQDII AILGMDELSE EDKLTVSRAR DATA SEQUENCE KIQRFLSQPF QVAEVFTGHL GKLVPLKETI KGFQQILAGE YDHLPEQAFY DATA SEQUENCE MVGPIEEAVA KADKLAE 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 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.864 174.700 0.274 0.000 1.109 9 T CA 0.000 62.174 62.100 0.123 0.000 1.349 9 T CB 0.000 68.898 68.868 0.050 0.000 0.612 10 T N 1.826 116.572 114.554 0.320 0.000 2.906 10 T HA 0.733 5.083 4.350 -0.000 0.000 0.302 10 T C 0.539 175.216 174.700 -0.037 0.000 1.002 10 T CA -0.328 61.891 62.100 0.197 0.000 0.988 10 T CB 1.227 70.135 68.868 0.066 0.000 0.972 10 T HN 1.112 nan 8.240 nan 0.000 0.447 11 G N 2.244 110.681 108.800 -0.605 0.000 2.613 11 G HA2 0.777 4.737 3.960 -0.000 0.000 0.303 11 G HA3 0.777 4.737 3.960 -0.000 0.000 0.303 11 G C -0.754 173.814 174.900 -0.554 0.000 1.312 11 G CA -0.968 43.403 45.100 -1.216 0.000 1.036 11 G HN 0.628 nan 8.290 nan 0.000 0.513 12 R N -1.071 119.159 120.500 -0.449 0.000 2.807 12 R HA 0.447 4.786 4.340 -0.000 0.000 0.276 12 R C -0.640 175.535 176.300 -0.208 0.000 0.979 12 R CA -0.881 55.072 56.100 -0.245 0.000 0.928 12 R CB 2.361 32.565 30.300 -0.160 0.000 1.191 12 R HN 0.326 nan 8.270 nan 0.000 0.471 13 I N 2.589 123.079 120.570 -0.134 0.000 2.496 13 I HA -0.014 4.156 4.170 -0.000 0.000 0.285 13 I C 1.399 177.471 176.117 -0.075 0.000 1.080 13 I CA -0.008 61.236 61.300 -0.093 0.000 1.404 13 I CB 1.333 39.295 38.000 -0.062 0.000 1.403 13 I HN 0.596 nan 8.210 nan 0.000 0.539 14 V N 2.919 122.796 119.914 -0.062 0.000 3.455 14 V HA 0.558 4.678 4.120 -0.000 0.000 0.250 14 V C 0.543 176.618 176.094 -0.031 0.000 1.230 14 V CA 0.299 62.571 62.300 -0.047 0.000 1.105 14 V CB 0.425 32.220 31.823 -0.046 0.000 0.850 14 V HN 0.704 nan 8.190 nan 0.000 0.461 15 A N -0.145 122.660 122.820 -0.026 0.000 2.520 15 A HA 0.835 5.154 4.320 -0.000 0.000 0.298 15 A C -1.266 176.310 177.584 -0.013 0.000 1.051 15 A CA -0.416 51.611 52.037 -0.017 0.000 0.690 15 A CB 2.300 21.294 19.000 -0.011 0.000 1.281 15 A HN 0.565 nan 8.150 nan 0.000 0.402 16 V N 2.236 122.144 119.914 -0.011 0.000 2.623 16 V HA 0.582 4.702 4.120 -0.000 0.000 0.304 16 V C -0.852 175.238 176.094 -0.006 0.000 1.054 16 V CA -0.107 62.188 62.300 -0.008 0.000 0.882 16 V CB 1.522 33.339 31.823 -0.009 0.000 1.002 16 V HN 0.737 nan 8.190 nan 0.000 0.424 17 I N 4.274 124.842 120.570 -0.004 0.000 2.603 17 I HA 0.582 4.752 4.170 -0.000 0.000 0.276 17 I C 0.736 176.851 176.117 -0.003 0.000 1.133 17 I CA 0.112 61.410 61.300 -0.004 0.000 1.070 17 I CB 1.437 39.435 38.000 -0.003 0.000 1.215 17 I HN 0.914 nan 8.210 nan 0.000 0.487 18 G N 4.080 112.878 108.800 -0.004 0.000 2.547 18 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.271 18 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.271 18 G C 0.835 175.733 174.900 -0.002 0.000 1.209 18 G CA 0.373 45.471 45.100 -0.004 0.000 0.959 18 G HN 0.837 nan 8.290 nan 0.000 0.563 19 A N -0.807 122.012 122.820 -0.003 0.000 2.168 19 A HA 0.495 4.814 4.320 -0.000 0.000 0.215 19 A C 1.231 178.817 177.584 0.003 0.000 1.152 19 A CA 1.954 53.990 52.037 -0.000 0.000 0.716 19 A CB -0.180 18.818 19.000 -0.004 0.000 0.794 19 A HN 1.553 nan 8.150 nan 0.000 0.465 20 V N 0.771 120.687 119.914 0.002 0.000 2.439 20 V HA 0.430 4.550 4.120 -0.000 0.000 0.282 20 V C -0.464 175.634 176.094 0.007 0.000 1.039 20 V CA -0.411 61.892 62.300 0.007 0.000 0.913 20 V CB 1.330 33.156 31.823 0.005 0.000 0.983 20 V HN 0.082 nan 8.190 nan 0.000 0.460 21 V N 3.561 123.483 119.914 0.013 0.000 2.577 21 V HA 0.458 4.578 4.120 -0.000 0.000 0.303 21 V C -0.874 175.228 176.094 0.014 0.000 1.042 21 V CA -0.809 61.496 62.300 0.008 0.000 0.872 21 V CB 2.079 33.906 31.823 0.007 0.000 0.998 21 V HN 0.797 nan 8.190 nan 0.000 0.423 22 D N 2.880 123.283 120.400 0.005 0.000 2.177 22 D HA 0.616 5.256 4.640 -0.000 0.000 0.247 22 D C -0.523 175.769 176.300 -0.013 0.000 1.063 22 D CA -0.024 53.981 54.000 0.008 0.000 0.867 22 D CB 2.329 43.131 40.800 0.004 0.000 1.168 22 D HN 0.277 nan 8.370 nan 0.000 0.445 23 V N 2.127 122.038 119.914 -0.005 0.000 2.656 23 V HA 0.297 4.417 4.120 -0.000 0.000 0.307 23 V C -0.186 175.845 176.094 -0.105 0.000 1.051 23 V CA -0.862 61.387 62.300 -0.086 0.000 0.893 23 V CB 2.099 33.869 31.823 -0.088 0.000 0.999 23 V HN 0.379 nan 8.190 nan 0.000 0.426 24 Q N 2.780 122.452 119.800 -0.214 0.000 2.347 24 Q HA 0.537 4.877 4.340 -0.000 0.000 0.262 24 Q C -1.736 174.092 176.000 -0.286 0.000 0.980 24 Q CA -0.416 55.294 55.803 -0.154 0.000 0.867 24 Q CB 1.168 29.847 28.738 -0.098 0.000 1.242 24 Q HN 0.655 nan 8.270 nan 0.000 0.453 25 F N 2.299 122.222 119.950 -0.045 0.000 2.408 25 F HA 0.190 4.716 4.527 -0.000 0.000 0.344 25 F C 1.112 176.889 175.800 -0.039 0.000 1.112 25 F CA -0.385 57.591 58.000 -0.041 0.000 1.096 25 F CB 1.304 40.275 39.000 -0.049 0.000 1.129 25 F HN 0.591 nan 8.300 nan 0.000 0.486 26 D N 1.748 122.220 120.400 0.119 0.000 2.123 26 D HA -0.080 4.560 4.640 -0.000 0.000 0.200 26 D C 0.094 176.436 176.300 0.071 0.000 0.976 26 D CA 1.207 55.246 54.000 0.064 0.000 0.831 26 D CB 0.199 41.018 40.800 0.031 0.000 0.974 26 D HN 0.668 nan 8.370 nan 0.000 0.469 27 E N -0.579 119.680 120.200 0.099 0.000 2.275 27 E HA 0.519 4.869 4.350 -0.000 0.000 0.270 27 E C -0.220 176.411 176.600 0.052 0.000 0.882 27 E CA -1.175 55.261 56.400 0.060 0.000 0.758 27 E CB 2.069 31.795 29.700 0.043 0.000 1.195 27 E HN 0.005 nan 8.360 nan 0.000 0.419 28 G N 2.278 111.076 108.800 -0.002 0.000 3.168 28 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.268 28 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.268 28 G C -0.874 173.915 174.900 -0.185 0.000 0.800 28 G CA -0.519 44.539 45.100 -0.069 0.000 0.765 28 G HN 0.418 nan 8.290 nan 0.000 0.368 29 L N 6.025 127.131 121.223 -0.195 0.000 2.281 29 L HA 0.527 4.867 4.340 -0.000 0.000 0.285 29 L C -1.327 175.354 176.870 -0.314 0.000 1.074 29 L CA -1.888 52.762 54.840 -0.316 0.000 0.817 29 L CB 0.903 42.800 42.059 -0.270 0.000 1.168 29 L HN 0.417 nan 8.230 nan 0.000 0.434 30 P HA 0.201 nan 4.420 nan 0.000 0.271 30 P C -2.634 174.669 177.300 0.004 0.000 1.220 30 P CA -1.206 61.725 63.100 -0.280 0.000 0.768 30 P CB -0.102 31.378 31.700 -0.367 0.000 0.848 31 P HA 0.144 nan 4.420 nan 0.000 0.272 31 P C 0.356 177.646 177.300 -0.017 0.000 1.240 31 P CA -0.104 63.015 63.100 0.031 0.000 0.791 31 P CB 0.505 32.185 31.700 -0.034 0.000 0.978 32 I N 2.370 122.853 120.570 -0.146 0.000 2.683 32 I HA -0.071 4.099 4.170 -0.000 0.000 0.286 32 I C 1.446 177.484 176.117 -0.131 0.000 1.175 32 I CA 0.639 61.849 61.300 -0.150 0.000 1.429 32 I CB -0.332 37.529 38.000 -0.232 0.000 1.371 32 I HN 0.435 nan 8.210 nan 0.000 0.569 33 L N 2.250 123.403 121.223 -0.118 0.000 2.804 33 L HA -0.209 4.131 4.340 -0.000 0.000 0.451 33 L C 0.297 177.137 176.870 -0.051 0.000 0.725 33 L CA 0.063 54.801 54.840 -0.169 0.000 2.793 33 L CB -1.322 40.545 42.059 -0.320 0.000 0.947 33 L HN 0.654 nan 8.230 nan 0.000 0.660 34 N N 1.375 120.060 118.700 -0.027 0.000 2.395 34 N HA 0.408 5.148 4.740 -0.000 0.000 0.246 34 N C 0.231 175.759 175.510 0.031 0.000 1.246 34 N CA 1.069 54.120 53.050 0.001 0.000 0.879 34 N CB 0.780 39.255 38.487 -0.021 0.000 1.098 34 N HN 0.330 nan 8.380 nan 0.000 0.444 35 A N 2.568 125.411 122.820 0.039 0.000 2.276 35 A HA 0.592 4.912 4.320 -0.000 0.000 0.316 35 A C -0.381 177.235 177.584 0.052 0.000 1.229 35 A CA -0.642 51.426 52.037 0.052 0.000 0.851 35 A CB 0.147 19.179 19.000 0.053 0.000 1.165 35 A HN 0.598 nan 8.150 nan 0.000 0.513 36 L N 1.857 123.124 121.223 0.073 0.000 2.331 36 L HA 0.558 4.898 4.340 -0.000 0.000 0.275 36 L C -0.183 176.729 176.870 0.070 0.000 1.022 36 L CA -0.777 54.121 54.840 0.096 0.000 0.812 36 L CB 1.566 43.723 42.059 0.163 0.000 1.257 36 L HN 0.591 nan 8.230 nan 0.000 0.435 37 E N 2.268 122.506 120.200 0.062 0.000 2.129 37 E HA 0.294 4.644 4.350 -0.000 0.000 0.268 37 E C -0.806 175.814 176.600 0.033 0.000 0.900 37 E CA -0.671 55.752 56.400 0.039 0.000 0.755 37 E CB 2.581 32.297 29.700 0.026 0.000 1.117 37 E HN 0.239 nan 8.360 nan 0.000 0.410 38 V N 4.114 124.042 119.914 0.022 0.000 2.585 38 V HA -0.077 4.043 4.120 -0.000 0.000 0.296 38 V C 0.791 176.887 176.094 0.004 0.000 1.035 38 V CA 0.062 62.367 62.300 0.009 0.000 1.084 38 V CB 0.447 32.272 31.823 0.004 0.000 0.953 38 V HN 0.509 nan 8.190 nan 0.000 0.483 39 Q N 2.589 122.387 119.800 -0.003 0.000 2.260 39 Q HA 0.419 4.759 4.340 -0.000 0.000 0.238 39 Q C 1.044 177.039 176.000 -0.007 0.000 0.948 39 Q CA 0.370 56.170 55.803 -0.004 0.000 0.895 39 Q CB 1.151 29.885 28.738 -0.007 0.000 1.218 39 Q HN 1.161 nan 8.270 nan 0.000 0.470 40 G N 1.797 110.593 108.800 -0.006 0.000 2.298 40 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.287 40 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.287 40 G C -0.279 174.618 174.900 -0.005 0.000 1.075 40 G CA 0.182 45.279 45.100 -0.006 0.000 0.960 40 G HN 0.422 nan 8.290 nan 0.000 0.502 41 R N -0.860 119.638 120.500 -0.003 0.000 2.621 41 R HA 0.352 4.691 4.340 -0.000 0.000 0.284 41 R C 0.689 176.989 176.300 -0.000 0.000 0.998 41 R CA -1.027 55.072 56.100 -0.001 0.000 0.895 41 R CB 1.181 31.481 30.300 -0.000 0.000 1.195 41 R HN 0.067 nan 8.270 nan 0.000 0.450 42 E N 0.663 120.863 120.200 -0.000 0.000 2.118 42 E HA -0.108 4.241 4.350 -0.000 0.000 0.195 42 E C 0.731 177.332 176.600 0.002 0.000 0.992 42 E CA 1.593 57.993 56.400 0.000 0.000 0.804 42 E CB 0.083 29.783 29.700 0.000 0.000 0.741 42 E HN 0.683 nan 8.360 nan 0.000 0.458 43 T N -1.912 112.644 114.554 0.002 0.000 2.940 43 T HA 0.496 4.846 4.350 -0.000 0.000 0.288 43 T C 0.146 174.849 174.700 0.005 0.000 1.033 43 T CA -0.981 61.122 62.100 0.004 0.000 1.033 43 T CB 2.394 71.265 68.868 0.005 0.000 1.079 43 T HN -0.101 nan 8.240 nan 0.000 0.496 44 R N 0.800 121.304 120.500 0.007 0.000 2.401 44 R HA 0.421 4.761 4.340 -0.000 0.000 0.299 44 R C -1.159 175.147 176.300 0.011 0.000 1.064 44 R CA -0.638 55.467 56.100 0.008 0.000 1.000 44 R CB 0.040 30.345 30.300 0.009 0.000 0.973 44 R HN 0.547 nan 8.270 nan 0.000 0.438 45 L N 6.129 127.360 121.223 0.012 0.000 2.342 45 L HA 0.360 4.700 4.340 -0.000 0.000 0.276 45 L C -1.341 175.542 176.870 0.021 0.000 0.997 45 L CA -0.555 54.294 54.840 0.015 0.000 0.838 45 L CB 1.828 43.894 42.059 0.012 0.000 1.224 45 L HN 0.369 nan 8.230 nan 0.000 0.416 46 V N 6.173 126.103 119.914 0.026 0.000 2.472 46 V HA 0.475 4.595 4.120 -0.000 0.000 0.290 46 V C 0.005 176.123 176.094 0.039 0.000 1.037 46 V CA -0.563 61.757 62.300 0.034 0.000 0.908 46 V CB 1.673 33.517 31.823 0.035 0.000 0.985 46 V HN 0.576 nan 8.190 nan 0.000 0.454 47 L N 4.060 125.313 121.223 0.049 0.000 2.325 47 L HA 0.560 4.900 4.340 -0.000 0.000 0.281 47 L C 0.043 176.952 176.870 0.065 0.000 1.004 47 L CA -0.299 54.574 54.840 0.055 0.000 0.823 47 L CB 1.717 43.812 42.059 0.060 0.000 1.236 47 L HN 0.647 nan 8.230 nan 0.000 0.415 48 E N 2.526 122.765 120.200 0.064 0.000 2.200 48 E HA 0.284 4.634 4.350 -0.000 0.000 0.283 48 E C -0.825 175.811 176.600 0.060 0.000 1.015 48 E CA -0.759 55.683 56.400 0.070 0.000 0.819 48 E CB 1.703 31.458 29.700 0.093 0.000 1.081 48 E HN 0.320 nan 8.360 nan 0.000 0.397 49 V N 4.437 124.384 119.914 0.055 0.000 2.493 49 V HA 0.008 4.128 4.120 -0.000 0.000 0.292 49 V C 0.959 177.071 176.094 0.030 0.000 1.016 49 V CA 0.912 63.248 62.300 0.061 0.000 1.097 49 V CB 0.712 32.579 31.823 0.074 0.000 0.947 49 V HN 0.883 nan 8.190 nan 0.000 0.479 50 A N 4.356 127.202 122.820 0.043 0.000 1.993 50 A HA 0.319 4.639 4.320 -0.000 0.000 0.207 50 A C 0.768 178.359 177.584 0.012 0.000 1.224 50 A CA 0.381 52.428 52.037 0.018 0.000 0.749 50 A CB 0.311 19.324 19.000 0.022 0.000 0.884 50 A HN 0.769 nan 8.150 nan 0.000 0.467 51 Q N -1.777 118.058 119.800 0.059 0.000 2.534 51 Q HA 0.374 4.714 4.340 -0.000 0.000 0.290 51 Q C -1.634 174.498 176.000 0.219 0.000 0.991 51 Q CA -0.584 55.263 55.803 0.073 0.000 0.783 51 Q CB 1.763 30.534 28.738 0.056 0.000 1.470 51 Q HN 0.591 nan 8.270 nan 0.000 0.406 52 H N 1.771 120.844 119.070 0.006 0.000 2.683 52 H HA 0.247 4.803 4.556 -0.000 0.000 0.270 52 H C 0.537 175.872 175.328 0.013 0.000 1.201 52 H CA -0.217 55.838 56.048 0.012 0.000 1.277 52 H CB 0.663 30.426 29.762 0.002 0.000 1.400 52 H HN 0.434 nan 8.280 nan 0.000 0.504 53 L N 2.438 123.723 121.223 0.103 0.000 2.201 53 L HA 0.041 4.381 4.340 -0.000 0.000 0.212 53 L C 1.239 178.133 176.870 0.040 0.000 1.105 53 L CA 0.837 55.711 54.840 0.058 0.000 0.775 53 L CB -0.186 41.896 42.059 0.038 0.000 0.913 53 L HN 0.782 nan 8.230 nan 0.000 0.440 54 G N -0.209 108.607 108.800 0.027 0.000 2.629 54 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.686 54 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.686 54 G C -0.011 174.887 174.900 -0.003 0.000 1.232 54 G CA -0.362 44.745 45.100 0.012 0.000 0.803 54 G HN 0.292 nan 8.290 nan 0.000 0.638 55 E N -0.881 119.315 120.200 -0.007 0.000 2.759 55 E HA -0.208 4.142 4.350 -0.000 0.000 0.280 55 E C 0.919 177.512 176.600 -0.010 0.000 1.009 55 E CA 0.983 57.379 56.400 -0.007 0.000 0.849 55 E CB -1.674 28.024 29.700 -0.003 0.000 1.415 55 E HN 2.094 nan 8.360 nan 0.000 0.412 56 S N -1.577 114.107 115.700 -0.025 0.000 3.641 56 S HA -0.200 4.270 4.470 -0.000 0.000 0.346 56 S C -0.042 174.565 174.600 0.011 0.000 1.074 56 S CA 1.472 59.661 58.200 -0.018 0.000 1.026 56 S CB -0.996 62.214 63.200 0.015 0.000 0.908 56 S HN 0.414 nan 8.310 nan 0.000 0.479 57 T N 1.432 115.979 114.554 -0.012 0.000 2.848 57 T HA 0.610 4.960 4.350 -0.000 0.000 0.285 57 T C 0.130 174.841 174.700 0.019 0.000 0.995 57 T CA -0.399 61.711 62.100 0.017 0.000 0.970 57 T CB 1.824 70.695 68.868 0.006 0.000 0.976 57 T HN 0.539 nan 8.240 nan 0.000 0.441 58 V N 1.671 121.631 119.914 0.076 0.000 2.581 58 V HA 0.747 4.867 4.120 -0.000 0.000 0.303 58 V C -0.135 176.019 176.094 0.099 0.000 1.041 58 V CA -1.327 61.039 62.300 0.110 0.000 0.907 58 V CB 1.539 33.465 31.823 0.172 0.000 0.994 58 V HN 0.835 nan 8.190 nan 0.000 0.442 59 R N 2.693 123.251 120.500 0.096 0.000 2.265 59 R HA 0.697 5.037 4.340 -0.000 0.000 0.319 59 R C 0.049 176.390 176.300 0.067 0.000 1.006 59 R CA 0.415 56.554 56.100 0.065 0.000 0.880 59 R CB 1.268 31.597 30.300 0.049 0.000 1.077 59 R HN 1.181 nan 8.270 nan 0.000 0.454 60 T N 1.890 116.477 114.554 0.055 0.000 2.907 60 T HA 0.546 4.896 4.350 -0.000 0.000 0.290 60 T C -0.003 174.718 174.700 0.036 0.000 1.066 60 T CA -1.058 61.075 62.100 0.054 0.000 1.012 60 T CB 1.063 69.972 68.868 0.069 0.000 1.184 60 T HN 0.585 nan 8.240 nan 0.000 0.522 61 I N -0.047 120.545 120.570 0.037 0.000 2.389 61 I HA 0.803 4.973 4.170 -0.000 0.000 0.288 61 I C 0.107 176.242 176.117 0.030 0.000 0.999 61 I CA -1.421 59.895 61.300 0.027 0.000 1.129 61 I CB 1.201 39.215 38.000 0.022 0.000 1.288 61 I HN 0.874 nan 8.210 nan 0.000 0.444 62 A N 7.087 129.920 122.820 0.022 0.000 2.401 62 A HA 0.447 4.767 4.320 -0.000 0.000 0.259 62 A C 0.834 178.431 177.584 0.022 0.000 1.103 62 A CA -0.477 51.573 52.037 0.022 0.000 0.789 62 A CB 0.537 19.546 19.000 0.015 0.000 1.035 62 A HN 0.856 nan 8.150 nan 0.000 0.491 63 M N 1.090 120.706 119.600 0.025 0.000 2.563 63 M HA 0.171 4.651 4.480 -0.000 0.000 0.231 63 M C -0.060 176.252 176.300 0.019 0.000 1.136 63 M CA 0.610 55.924 55.300 0.024 0.000 1.026 63 M CB -1.376 31.241 32.600 0.028 0.000 1.597 63 M HN 0.826 nan 8.290 nan 0.000 0.495 64 D N -1.385 119.025 120.400 0.016 0.000 2.851 64 D HA 0.434 5.074 4.640 -0.000 0.000 0.339 64 D C -0.506 175.799 176.300 0.009 0.000 1.347 64 D CA -0.212 53.795 54.000 0.012 0.000 0.888 64 D CB 0.589 41.396 40.800 0.012 0.000 1.431 64 D HN 0.097 nan 8.370 nan 0.000 0.509 65 G N -0.860 107.945 108.800 0.007 0.000 2.414 65 G HA2 0.351 4.311 3.960 -0.000 0.000 0.236 65 G HA3 0.351 4.311 3.960 -0.000 0.000 0.236 65 G C 0.808 175.710 174.900 0.004 0.000 1.293 65 G CA 0.692 45.795 45.100 0.005 0.000 0.869 65 G HN 0.420 nan 8.290 nan 0.000 0.556 66 T N -1.189 113.366 114.554 0.002 0.000 3.105 66 T HA 0.215 4.565 4.350 -0.000 0.000 0.253 66 T C 0.360 175.059 174.700 -0.002 0.000 1.047 66 T CA -0.273 61.827 62.100 0.000 0.000 0.944 66 T CB 0.070 68.938 68.868 -0.000 0.000 1.016 66 T HN 0.516 nan 8.240 nan 0.000 0.544 67 E N 1.440 121.640 120.200 -0.001 0.000 2.418 67 E HA 0.480 4.830 4.350 -0.000 0.000 0.261 67 E C 1.496 178.095 176.600 -0.003 0.000 1.070 67 E CA 0.437 56.836 56.400 -0.002 0.000 0.931 67 E CB -0.424 29.275 29.700 -0.001 0.000 0.954 67 E HN 0.243 nan 8.360 nan 0.000 0.439 68 G N 0.943 109.741 108.800 -0.004 0.000 2.257 68 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.267 68 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.267 68 G C 0.179 175.075 174.900 -0.007 0.000 0.984 68 G CA 0.314 45.411 45.100 -0.005 0.000 0.626 68 G HN 0.405 nan 8.290 nan 0.000 0.540 69 L N 0.666 121.885 121.223 -0.008 0.000 2.483 69 L HA 0.410 4.750 4.340 -0.000 0.000 0.276 69 L C 0.659 177.521 176.870 -0.013 0.000 1.213 69 L CA -0.060 54.773 54.840 -0.011 0.000 0.843 69 L CB 0.928 42.980 42.059 -0.011 0.000 1.107 69 L HN 0.042 nan 8.230 nan 0.000 0.487 70 V N 2.912 122.815 119.914 -0.018 0.000 2.735 70 V HA 0.391 4.511 4.120 -0.000 0.000 0.310 70 V C 0.091 176.170 176.094 -0.026 0.000 1.061 70 V CA -1.016 61.272 62.300 -0.019 0.000 0.913 70 V CB 1.892 33.704 31.823 -0.018 0.000 1.005 70 V HN 0.652 nan 8.190 nan 0.000 0.428 71 R N 1.790 122.276 120.500 -0.025 0.000 2.585 71 R HA 0.392 4.732 4.340 -0.000 0.000 0.275 71 R C 1.345 177.624 176.300 -0.035 0.000 1.018 71 R CA 1.268 57.350 56.100 -0.030 0.000 1.072 71 R CB 0.143 30.428 30.300 -0.026 0.000 0.953 71 R HN 1.239 nan 8.270 nan 0.000 0.419 72 G N 1.599 110.371 108.800 -0.047 0.000 2.217 72 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.246 72 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.246 72 G C 0.229 175.095 174.900 -0.057 0.000 0.990 72 G CA 0.114 45.183 45.100 -0.052 0.000 0.627 72 G HN 0.605 nan 8.290 nan 0.000 0.522 73 Q N 1.147 120.916 119.800 -0.051 0.000 2.349 73 Q HA 0.346 4.686 4.340 -0.000 0.000 0.287 73 Q C 0.311 176.271 176.000 -0.067 0.000 1.044 73 Q CA 0.414 56.188 55.803 -0.048 0.000 0.918 73 Q CB 0.267 28.983 28.738 -0.037 0.000 1.242 73 Q HN 0.466 nan 8.270 nan 0.000 0.405 74 K N 1.939 122.305 120.400 -0.057 0.000 2.322 74 K HA 0.318 4.638 4.320 -0.000 0.000 0.283 74 K C -1.178 175.388 176.600 -0.056 0.000 1.042 74 K CA -0.361 55.887 56.287 -0.065 0.000 0.958 74 K CB 1.197 33.670 32.500 -0.044 0.000 0.984 74 K HN 0.290 nan 8.250 nan 0.000 0.473 75 V N 4.534 124.398 119.914 -0.082 0.000 2.577 75 V HA 0.255 4.375 4.120 -0.000 0.000 0.303 75 V C -1.108 175.021 176.094 0.058 0.000 1.042 75 V CA -0.946 61.335 62.300 -0.032 0.000 0.872 75 V CB 1.720 33.496 31.823 -0.079 0.000 0.998 75 V HN 0.561 nan 8.190 nan 0.000 0.423 76 L N 4.064 125.352 121.223 0.109 0.000 2.272 76 L HA 0.590 4.930 4.340 -0.000 0.000 0.289 76 L C -0.039 176.934 176.870 0.172 0.000 1.032 76 L CA -0.091 54.840 54.840 0.152 0.000 0.810 76 L CB 1.379 43.484 42.059 0.076 0.000 1.205 76 L HN 0.723 nan 8.230 nan 0.000 0.422 77 D N 2.276 122.793 120.400 0.196 0.000 2.363 77 D HA -0.025 4.615 4.640 -0.000 0.000 0.263 77 D C 1.251 177.562 176.300 0.018 0.000 1.258 77 D CA 0.749 54.782 54.000 0.054 0.000 0.907 77 D CB 1.187 41.900 40.800 -0.145 0.000 1.107 77 D HN 0.622 nan 8.370 nan 0.000 0.495 78 S N 3.158 118.871 115.700 0.021 0.000 2.500 78 S HA -0.025 4.445 4.470 -0.000 0.000 0.239 78 S C 1.800 176.392 174.600 -0.013 0.000 0.989 78 S CA 0.769 58.971 58.200 0.004 0.000 0.951 78 S CB -0.616 62.588 63.200 0.006 0.000 0.759 78 S HN 1.017 nan 8.310 nan 0.000 0.523 79 G N 0.055 108.840 108.800 -0.026 0.000 2.155 79 G HA2 0.049 4.009 3.960 -0.000 0.000 0.257 79 G HA3 0.049 4.009 3.960 -0.000 0.000 0.257 79 G C 0.163 175.049 174.900 -0.023 0.000 0.983 79 G CA 0.082 45.160 45.100 -0.035 0.000 0.676 79 G HN 1.730 nan 8.290 nan 0.000 0.528 80 A N -0.993 121.821 122.820 -0.010 0.000 2.605 80 A HA 0.853 5.173 4.320 -0.000 0.000 0.294 80 A C -2.827 174.772 177.584 0.025 0.000 1.062 80 A CA -0.627 51.412 52.037 0.004 0.000 0.682 80 A CB 1.472 20.475 19.000 0.005 0.000 1.278 80 A HN 0.156 nan 8.150 nan 0.000 0.410 81 P HA 0.277 nan 4.420 nan 0.000 0.271 81 P C -0.220 177.135 177.300 0.093 0.000 1.244 81 P CA -0.043 63.116 63.100 0.098 0.000 0.793 81 P CB 0.217 32.018 31.700 0.167 0.000 0.984 82 I N 1.085 121.723 120.570 0.113 0.000 2.752 82 I HA -0.078 4.092 4.170 -0.000 0.000 0.286 82 I C 1.248 177.397 176.117 0.054 0.000 1.180 82 I CA 0.879 62.219 61.300 0.067 0.000 1.404 82 I CB -0.334 37.697 38.000 0.051 0.000 1.389 82 I HN 0.084 nan 8.210 nan 0.000 0.549 83 R N 7.782 128.321 120.500 0.065 0.000 2.514 83 R HA 0.718 5.058 4.340 -0.000 0.000 0.301 83 R C -0.596 175.802 176.300 0.164 0.000 0.962 83 R CA -0.817 55.344 56.100 0.102 0.000 0.882 83 R CB 1.819 32.193 30.300 0.123 0.000 1.143 83 R HN 0.601 nan 8.270 nan 0.000 0.452 84 I N -1.113 119.534 120.570 0.128 0.000 2.740 84 I HA 0.565 4.734 4.170 -0.000 0.000 0.303 84 I C -2.527 173.514 176.117 -0.128 0.000 1.044 84 I CA -3.433 57.921 61.300 0.090 0.000 1.064 84 I CB 2.265 40.250 38.000 -0.025 0.000 1.249 84 I HN 0.322 nan 8.210 nan 0.000 0.433 85 P HA 0.068 nan 4.420 nan 0.000 0.265 85 P C -0.399 176.530 177.300 -0.619 0.000 1.222 85 P CA 0.114 62.619 63.100 -0.992 0.000 0.767 85 P CB 0.623 31.972 31.700 -0.585 0.000 0.801 86 V N 1.274 120.771 119.914 -0.696 0.000 2.769 86 V HA 1.028 5.147 4.120 -0.000 0.000 0.312 86 V C 0.134 175.659 176.094 -0.950 0.000 1.061 86 V CA -0.207 61.682 62.300 -0.685 0.000 0.931 86 V CB 1.494 32.975 31.823 -0.570 0.000 1.010 86 V HN 0.898 nan 8.190 nan 0.000 0.433 87 G N 3.637 111.739 108.800 -1.163 0.000 2.359 87 G HA2 0.216 4.176 3.960 -0.000 0.000 0.303 87 G HA3 0.216 4.176 3.960 -0.000 0.000 0.303 87 G C -2.759 171.975 174.900 -0.277 0.000 1.293 87 G CA 0.026 44.448 45.100 -1.131 0.000 0.964 87 G HN 0.580 nan 8.290 nan 0.000 0.531 88 P HA -0.015 nan 4.420 nan 0.000 0.218 88 P C 1.295 178.582 177.300 -0.023 0.000 1.148 88 P CA 1.669 64.807 63.100 0.063 0.000 0.822 88 P CB -0.003 31.724 31.700 0.045 0.000 0.784 89 E N -0.111 120.051 120.200 -0.064 0.000 2.505 89 E HA -0.058 4.292 4.350 -0.000 0.000 0.197 89 E C 1.096 177.662 176.600 -0.056 0.000 1.111 89 E CA 1.026 57.392 56.400 -0.056 0.000 0.887 89 E CB -1.287 28.378 29.700 -0.059 0.000 0.913 89 E HN 0.390 nan 8.360 nan 0.000 0.517 90 T N -1.831 112.696 114.554 -0.045 0.000 3.040 90 T HA 0.132 4.482 4.350 -0.000 0.000 0.252 90 T C 1.109 175.832 174.700 0.038 0.000 1.064 90 T CA -0.346 61.740 62.100 -0.024 0.000 1.110 90 T CB -0.258 68.577 68.868 -0.056 0.000 0.921 90 T HN 0.031 nan 8.240 nan 0.000 0.480 91 L N 2.177 123.425 121.223 0.042 0.000 2.525 91 L HA 0.391 4.731 4.340 -0.000 0.000 0.278 91 L C 1.780 178.680 176.870 0.050 0.000 1.218 91 L CA 1.126 55.982 54.840 0.026 0.000 0.878 91 L CB -0.109 41.897 42.059 -0.087 0.000 1.127 91 L HN 0.584 nan 8.230 nan 0.000 0.492 92 G N 1.294 110.146 108.800 0.085 0.000 2.184 92 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.264 92 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.264 92 G C 0.397 175.376 174.900 0.132 0.000 0.975 92 G CA -0.178 44.988 45.100 0.110 0.000 0.642 92 G HN 0.457 nan 8.290 nan 0.000 0.536 93 R N -0.300 120.256 120.500 0.093 0.000 2.758 93 R HA 0.771 5.111 4.340 -0.000 0.000 0.265 93 R C 0.290 176.613 176.300 0.039 0.000 1.016 93 R CA -1.048 55.087 56.100 0.058 0.000 1.040 93 R CB 0.803 31.119 30.300 0.027 0.000 1.152 93 R HN 0.286 nan 8.270 nan 0.000 0.503 94 I N 1.671 122.227 120.570 -0.023 0.000 2.389 94 I HA 0.413 4.583 4.170 -0.000 0.000 0.288 94 I C 0.076 176.195 176.117 0.004 0.000 0.999 94 I CA -0.379 60.906 61.300 -0.025 0.000 1.129 94 I CB 1.534 39.426 38.000 -0.180 0.000 1.288 94 I HN 0.217 nan 8.210 nan 0.000 0.444 95 M N 4.428 124.055 119.600 0.046 0.000 2.664 95 M HA 0.413 4.893 4.480 -0.000 0.000 0.314 95 M C -0.391 175.939 176.300 0.050 0.000 1.200 95 M CA -0.628 54.689 55.300 0.029 0.000 0.916 95 M CB 2.189 34.792 32.600 0.005 0.000 1.717 95 M HN 0.488 nan 8.290 nan 0.000 0.470 96 N N -0.240 118.479 118.700 0.031 0.000 2.405 96 N HA 0.305 5.045 4.740 -0.000 0.000 0.269 96 N C 0.599 176.121 175.510 0.019 0.000 1.249 96 N CA -0.338 52.732 53.050 0.033 0.000 0.974 96 N CB 1.189 39.691 38.487 0.025 0.000 1.204 96 N HN 0.444 nan 8.380 nan 0.000 0.565 97 V N 0.617 120.543 119.914 0.019 0.000 2.515 97 V HA -0.136 3.984 4.120 -0.000 0.000 0.250 97 V C 1.609 177.705 176.094 0.003 0.000 1.058 97 V CA 1.493 63.796 62.300 0.006 0.000 1.064 97 V CB -0.862 30.968 31.823 0.012 0.000 0.675 97 V HN 0.726 nan 8.190 nan 0.000 0.461 98 I N -1.258 119.322 120.570 0.016 0.000 3.855 98 I HA 0.609 4.779 4.170 -0.000 0.000 0.327 98 I C 1.231 177.370 176.117 0.038 0.000 1.359 98 I CA 0.509 61.824 61.300 0.025 0.000 1.142 98 I CB -0.349 37.667 38.000 0.028 0.000 1.041 98 I HN 0.271 nan 8.210 nan 0.000 0.403 99 G N 1.390 110.207 108.800 0.027 0.000 2.182 99 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.248 99 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.248 99 G C -0.280 174.650 174.900 0.050 0.000 1.042 99 G CA -0.027 45.095 45.100 0.037 0.000 0.775 99 G HN 0.683 nan 8.290 nan 0.000 0.501 100 E N 1.004 121.225 120.200 0.035 0.000 2.175 100 E HA 0.404 4.754 4.350 -0.000 0.000 0.278 100 E C -2.376 174.235 176.600 0.018 0.000 0.969 100 E CA -2.183 54.236 56.400 0.032 0.000 0.796 100 E CB 1.850 31.565 29.700 0.026 0.000 1.104 100 E HN 0.148 nan 8.360 nan 0.000 0.395 101 P HA 0.005 nan 4.420 nan 0.000 0.268 101 P C 0.166 177.460 177.300 -0.009 0.000 1.205 101 P CA 0.375 63.475 63.100 0.001 0.000 0.771 101 P CB 0.319 32.022 31.700 0.004 0.000 0.858 102 I N -0.962 119.590 120.570 -0.030 0.000 3.817 102 I HA 0.284 4.454 4.170 -0.000 0.000 0.325 102 I C -0.071 175.990 176.117 -0.093 0.000 1.550 102 I CA -0.273 60.999 61.300 -0.047 0.000 1.100 102 I CB 0.205 38.181 38.000 -0.038 0.000 1.216 102 I HN 0.028 nan 8.210 nan 0.000 0.481 103 D N -0.262 120.086 120.400 -0.087 0.000 2.433 103 D HA 0.034 4.674 4.640 -0.000 0.000 0.211 103 D C 0.585 176.870 176.300 -0.025 0.000 1.114 103 D CA -0.003 53.930 54.000 -0.110 0.000 0.837 103 D CB 0.046 40.750 40.800 -0.160 0.000 0.984 103 D HN 0.253 nan 8.370 nan 0.000 0.505 104 E N -0.059 120.134 120.200 -0.012 0.000 3.070 104 E HA -0.240 4.110 4.350 -0.000 0.000 0.285 104 E C 0.329 176.942 176.600 0.023 0.000 0.972 104 E CA 0.403 56.809 56.400 0.009 0.000 0.915 104 E CB -1.692 28.019 29.700 0.018 0.000 1.466 104 E HN 0.552 nan 8.360 nan 0.000 0.432 105 R N 0.366 120.880 120.500 0.024 0.000 2.466 105 R HA 0.319 4.659 4.340 -0.000 0.000 0.279 105 R C 1.056 177.372 176.300 0.026 0.000 0.976 105 R CA 0.500 56.620 56.100 0.033 0.000 1.081 105 R CB 0.799 31.128 30.300 0.047 0.000 1.215 105 R HN 0.286 nan 8.270 nan 0.000 0.546 106 G N 2.200 111.012 108.800 0.021 0.000 2.756 106 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.678 106 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.678 106 G C -2.541 172.372 174.900 0.021 0.000 1.349 106 G CA -1.282 43.830 45.100 0.020 0.000 0.847 106 G HN 0.008 nan 8.290 nan 0.000 0.548 107 P HA 0.305 nan 4.420 nan 0.000 0.270 107 P C 0.142 177.460 177.300 0.029 0.000 1.216 107 P CA 0.065 63.185 63.100 0.034 0.000 0.788 107 P CB 0.298 32.022 31.700 0.040 0.000 0.883 108 I N 1.333 121.924 120.570 0.035 0.000 2.337 108 I HA 0.159 4.329 4.170 -0.000 0.000 0.285 108 I C 0.778 176.901 176.117 0.011 0.000 1.041 108 I CA -0.386 60.916 61.300 0.004 0.000 1.199 108 I CB 0.477 38.461 38.000 -0.027 0.000 1.370 108 I HN 0.020 nan 8.210 nan 0.000 0.470 109 K N 5.746 126.150 120.400 0.007 0.000 2.187 109 K HA 0.185 4.505 4.320 -0.000 0.000 0.242 109 K C 0.245 176.832 176.600 -0.022 0.000 1.179 109 K CA -0.239 56.061 56.287 0.022 0.000 1.097 109 K CB -0.305 32.212 32.500 0.027 0.000 1.634 109 K HN 0.581 nan 8.250 nan 0.000 0.335 110 T N -1.721 112.784 114.554 -0.082 0.000 2.899 110 T HA 0.205 4.555 4.350 -0.000 0.000 0.284 110 T C 1.103 175.753 174.700 -0.084 0.000 1.004 110 T CA -0.867 61.120 62.100 -0.189 0.000 1.043 110 T CB 1.668 70.251 68.868 -0.474 0.000 1.013 110 T HN 0.283 nan 8.240 nan 0.000 0.518 111 K N 0.889 121.236 120.400 -0.088 0.000 2.031 111 K HA -0.008 4.312 4.320 -0.000 0.000 0.205 111 K C 0.423 177.043 176.600 0.034 0.000 1.049 111 K CA 0.912 57.198 56.287 -0.002 0.000 0.939 111 K CB -0.127 32.377 32.500 0.006 0.000 0.717 111 K HN 0.608 nan 8.250 nan 0.000 0.438 112 Q N -0.310 119.436 119.800 -0.091 0.000 2.359 112 Q HA 0.519 4.859 4.340 -0.000 0.000 0.275 112 Q C -0.975 174.824 176.000 -0.334 0.000 1.082 112 Q CA -0.611 55.166 55.803 -0.042 0.000 0.849 112 Q CB 0.982 29.703 28.738 -0.029 0.000 1.377 112 Q HN -0.051 nan 8.270 nan 0.000 0.452 113 F N -0.217 119.689 119.950 -0.072 0.000 2.563 113 F HA 0.850 5.377 4.527 -0.000 0.000 0.316 113 F C -0.520 175.244 175.800 -0.059 0.000 1.076 113 F CA -0.837 57.118 58.000 -0.074 0.000 0.921 113 F CB 2.263 41.232 39.000 -0.050 0.000 1.209 113 F HN 0.659 nan 8.300 nan 0.000 0.462 114 A N 1.295 124.148 122.820 0.055 0.000 2.435 114 A HA 0.865 5.185 4.320 -0.000 0.000 0.304 114 A C -1.226 176.380 177.584 0.036 0.000 1.064 114 A CA -0.747 51.306 52.037 0.027 0.000 0.727 114 A CB 1.121 20.098 19.000 -0.038 0.000 1.284 114 A HN 0.989 nan 8.150 nan 0.000 0.415 115 A N 1.398 124.240 122.820 0.037 0.000 2.409 115 A HA 0.487 4.807 4.320 -0.000 0.000 0.262 115 A C 1.169 178.749 177.584 -0.007 0.000 1.113 115 A CA 0.049 52.108 52.037 0.037 0.000 0.790 115 A CB -0.365 18.672 19.000 0.061 0.000 1.046 115 A HN 1.662 nan 8.150 nan 0.000 0.496 116 I N -0.051 120.487 120.570 -0.052 0.000 2.454 116 I HA -0.077 4.093 4.170 -0.000 0.000 0.254 116 I C 0.336 176.320 176.117 -0.222 0.000 1.156 116 I CA 0.770 61.974 61.300 -0.159 0.000 1.433 116 I CB -0.424 37.446 38.000 -0.216 0.000 1.082 116 I HN 0.524 nan 8.210 nan 0.000 0.432 117 H N 2.463 121.525 119.070 -0.014 0.000 2.548 117 H HA 0.765 5.321 4.556 -0.000 0.000 0.331 117 H C -0.305 175.013 175.328 -0.018 0.000 1.093 117 H CA 0.128 56.167 56.048 -0.015 0.000 1.367 117 H CB 1.497 31.256 29.762 -0.006 0.000 1.455 117 H HN 0.468 nan 8.280 nan 0.000 0.519 118 A N 3.084 125.960 122.820 0.094 0.000 2.590 118 A HA 0.241 4.561 4.320 -0.000 0.000 0.294 118 A C -0.647 176.952 177.584 0.026 0.000 1.046 118 A CA -0.960 51.103 52.037 0.043 0.000 0.684 118 A CB 1.309 20.316 19.000 0.010 0.000 1.279 118 A HN 0.551 nan 8.150 nan 0.000 0.415 119 E N 0.588 120.798 120.200 0.017 0.000 2.404 119 E HA 0.434 4.784 4.350 -0.000 0.000 0.261 119 E C 0.565 177.166 176.600 0.002 0.000 1.074 119 E CA 0.462 56.869 56.400 0.011 0.000 0.917 119 E CB 1.026 30.732 29.700 0.011 0.000 0.965 119 E HN 0.917 nan 8.360 nan 0.000 0.433 120 A N 3.366 126.188 122.820 0.004 0.000 2.316 120 A HA 0.435 4.755 4.320 -0.000 0.000 0.284 120 A C -2.085 175.506 177.584 0.010 0.000 1.115 120 A CA -1.350 50.687 52.037 -0.001 0.000 0.812 120 A CB -0.236 18.765 19.000 0.002 0.000 1.064 120 A HN 0.308 nan 8.150 nan 0.000 0.489 121 P HA 0.036 nan 4.420 nan 0.000 0.264 121 P C -0.010 177.312 177.300 0.035 0.000 1.179 121 P CA 0.243 63.349 63.100 0.011 0.000 0.763 121 P CB 0.377 32.076 31.700 -0.002 0.000 0.806 122 E N 1.251 121.474 120.200 0.039 0.000 2.409 122 E HA -0.033 4.317 4.350 -0.000 0.000 0.257 122 E C 0.866 177.535 176.600 0.114 0.000 1.150 122 E CA -0.157 56.288 56.400 0.076 0.000 0.942 122 E CB 0.047 29.783 29.700 0.061 0.000 0.979 122 E HN 0.393 nan 8.360 nan 0.000 0.447 123 F N 1.835 121.785 119.950 -0.000 0.000 2.134 123 F HA -0.194 4.333 4.527 -0.000 0.000 0.299 123 F C 1.816 177.616 175.800 -0.001 0.000 1.097 123 F CA 1.567 59.568 58.000 0.000 0.000 1.264 123 F CB -0.230 38.771 39.000 0.002 0.000 1.001 123 F HN 0.245 nan 8.300 nan 0.000 0.479 124 V N -1.944 117.933 119.914 -0.062 0.000 3.541 124 V HA -0.031 4.089 4.120 -0.000 0.000 0.272 124 V C 1.117 177.134 176.094 -0.130 0.000 1.215 124 V CA 1.430 63.633 62.300 -0.160 0.000 1.176 124 V CB -1.123 30.674 31.823 -0.044 0.000 0.854 124 V HN 0.451 nan 8.190 nan 0.000 0.496 125 E N -0.085 120.056 120.200 -0.099 0.000 2.476 125 E HA 0.255 4.605 4.350 -0.000 0.000 0.199 125 E C 0.537 177.083 176.600 -0.091 0.000 1.021 125 E CA -0.321 56.036 56.400 -0.072 0.000 0.907 125 E CB 0.153 29.834 29.700 -0.032 0.000 0.974 125 E HN 0.490 nan 8.360 nan 0.000 0.489 126 M N 0.961 120.474 119.600 -0.144 0.000 2.240 126 M HA 0.135 4.615 4.480 -0.000 0.000 0.333 126 M C 0.509 176.737 176.300 -0.120 0.000 1.110 126 M CA 0.228 55.452 55.300 -0.128 0.000 1.173 126 M CB 0.834 33.343 32.600 -0.152 0.000 1.458 126 M HN -0.132 nan 8.290 nan 0.000 0.458 127 S N 0.732 116.386 115.700 -0.077 0.000 2.664 127 S HA 0.721 5.191 4.470 -0.000 0.000 0.304 127 S C 0.157 174.728 174.600 -0.049 0.000 1.099 127 S CA -0.666 57.498 58.200 -0.061 0.000 1.003 127 S CB 1.361 64.536 63.200 -0.042 0.000 1.092 127 S HN 0.628 nan 8.310 nan 0.000 0.525 128 V N -0.465 119.425 119.914 -0.039 0.000 3.329 128 V HA 0.514 4.634 4.120 -0.000 0.000 0.317 128 V C -0.125 175.961 176.094 -0.013 0.000 1.495 128 V CA -0.541 61.744 62.300 -0.025 0.000 1.105 128 V CB -0.130 31.677 31.823 -0.027 0.000 0.985 128 V HN 0.623 nan 8.190 nan 0.000 0.475 129 E N 2.370 122.562 120.200 -0.013 0.000 2.415 129 E HA 0.348 4.698 4.350 -0.000 0.000 0.262 129 E C -0.273 176.329 176.600 0.003 0.000 1.038 129 E CA 0.504 56.901 56.400 -0.005 0.000 0.921 129 E CB 0.558 30.256 29.700 -0.005 0.000 0.950 129 E HN 0.678 nan 8.360 nan 0.000 0.438 130 Q N 1.975 121.780 119.800 0.010 0.000 2.786 130 Q HA 0.267 4.607 4.340 -0.000 0.000 0.240 130 Q C -0.792 175.223 176.000 0.025 0.000 0.928 130 Q CA -0.162 55.651 55.803 0.017 0.000 0.721 130 Q CB 1.429 30.179 28.738 0.019 0.000 1.318 130 Q HN 0.366 nan 8.270 nan 0.000 0.474 131 E N 2.289 122.506 120.200 0.028 0.000 2.151 131 E HA 0.341 4.691 4.350 -0.000 0.000 0.275 131 E C -0.453 176.177 176.600 0.050 0.000 0.936 131 E CA -0.627 55.794 56.400 0.036 0.000 0.777 131 E CB 2.324 32.043 29.700 0.032 0.000 1.108 131 E HN 0.500 nan 8.360 nan 0.000 0.401 132 I N 3.712 124.317 120.570 0.059 0.000 2.815 132 I HA -0.080 4.090 4.170 -0.000 0.000 0.291 132 I C -0.599 175.563 176.117 0.075 0.000 1.209 132 I CA 0.163 61.508 61.300 0.075 0.000 1.431 132 I CB 0.412 38.464 38.000 0.087 0.000 1.351 132 I HN 0.445 nan 8.210 nan 0.000 0.585 133 L N 8.778 130.056 121.223 0.092 0.000 2.335 133 L HA 0.358 4.698 4.340 -0.000 0.000 0.268 133 L C -0.680 176.228 176.870 0.065 0.000 1.037 133 L CA -0.457 54.435 54.840 0.087 0.000 0.895 133 L CB 0.929 43.058 42.059 0.117 0.000 1.266 133 L HN 0.366 nan 8.230 nan 0.000 0.439 134 V N 3.619 123.560 119.914 0.046 0.000 2.557 134 V HA 0.022 4.142 4.120 -0.000 0.000 0.301 134 V C 1.576 177.669 176.094 -0.002 0.000 1.026 134 V CA 1.067 63.379 62.300 0.020 0.000 1.137 134 V CB 0.696 32.536 31.823 0.027 0.000 0.917 134 V HN 0.923 nan 8.190 nan 0.000 0.484 135 T N 0.223 114.746 114.554 -0.051 0.000 3.023 135 T HA 0.314 4.664 4.350 -0.000 0.000 0.249 135 T C 1.423 176.089 174.700 -0.057 0.000 1.050 135 T CA 0.862 62.923 62.100 -0.066 0.000 1.088 135 T CB 0.575 69.345 68.868 -0.163 0.000 0.946 135 T HN 1.552 nan 8.240 nan 0.000 0.480 136 G N 1.781 110.556 108.800 -0.043 0.000 2.175 136 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.244 136 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.244 136 G C 0.021 174.910 174.900 -0.017 0.000 0.982 136 G CA -0.010 45.074 45.100 -0.026 0.000 0.641 136 G HN 0.622 nan 8.290 nan 0.000 0.527 137 I N 1.394 121.946 120.570 -0.029 0.000 2.312 137 I HA 0.242 4.412 4.170 -0.000 0.000 0.291 137 I C 1.568 177.701 176.117 0.028 0.000 1.031 137 I CA -0.415 60.907 61.300 0.036 0.000 1.293 137 I CB 1.035 39.061 38.000 0.042 0.000 1.403 137 I HN 0.057 nan 8.210 nan 0.000 0.484 138 K N 3.924 124.348 120.400 0.040 0.000 2.000 138 K HA -0.166 4.154 4.320 -0.000 0.000 0.218 138 K C 1.855 178.487 176.600 0.053 0.000 1.053 138 K CA 1.666 57.980 56.287 0.045 0.000 0.946 138 K CB -0.203 32.294 32.500 -0.004 0.000 0.723 138 K HN 0.533 nan 8.250 nan 0.000 0.446 139 V N 1.207 121.145 119.914 0.040 0.000 2.252 139 V HA -0.278 3.842 4.120 -0.000 0.000 0.249 139 V C 2.389 178.482 176.094 -0.002 0.000 1.056 139 V CA 1.914 64.218 62.300 0.007 0.000 1.022 139 V CB -0.839 30.999 31.823 0.024 0.000 0.641 139 V HN 0.118 nan 8.190 nan 0.000 0.445 140 V N 0.647 120.554 119.914 -0.011 0.000 2.215 140 V HA -0.316 3.804 4.120 -0.000 0.000 0.246 140 V C 2.419 178.468 176.094 -0.076 0.000 1.047 140 V CA 2.505 64.751 62.300 -0.089 0.000 0.999 140 V CB -0.927 30.721 31.823 -0.293 0.000 0.635 140 V HN 0.533 nan 8.190 nan 0.000 0.450 141 D N -0.138 120.218 120.400 -0.074 0.000 2.126 141 D HA -0.218 4.422 4.640 -0.000 0.000 0.190 141 D C 1.979 178.381 176.300 0.169 0.000 1.001 141 D CA 1.867 55.881 54.000 0.023 0.000 0.841 141 D CB -0.555 40.253 40.800 0.014 0.000 0.949 141 D HN 0.340 nan 8.370 nan 0.000 0.446 142 L N 0.416 121.712 121.223 0.122 0.000 1.955 142 L HA -0.159 4.181 4.340 -0.000 0.000 0.213 142 L C 2.269 179.237 176.870 0.162 0.000 1.072 142 L CA 1.688 56.633 54.840 0.175 0.000 0.755 142 L CB -0.520 41.537 42.059 -0.004 0.000 0.888 142 L HN 0.035 nan 8.230 nan 0.000 0.432 143 L N -1.159 120.070 121.223 0.010 0.000 2.249 143 L HA 0.226 4.566 4.340 -0.000 0.000 0.207 143 L C 1.125 177.980 176.870 -0.024 0.000 1.090 143 L CA 0.585 55.400 54.840 -0.041 0.000 0.802 143 L CB -0.407 41.607 42.059 -0.075 0.000 0.947 143 L HN 0.337 nan 8.230 nan 0.000 0.453 144 A N -0.079 122.751 122.820 0.018 0.000 3.365 144 A HA 0.432 4.752 4.320 -0.000 0.000 0.258 144 A C -2.557 175.092 177.584 0.109 0.000 0.964 144 A CA -0.979 51.097 52.037 0.065 0.000 0.988 144 A CB -0.361 18.707 19.000 0.114 0.000 1.193 144 A HN -0.120 nan 8.150 nan 0.000 0.508 145 P HA -0.025 nan 4.420 nan 0.000 0.263 145 P C -0.523 176.903 177.300 0.211 0.000 1.168 145 P CA 0.785 63.920 63.100 0.059 0.000 0.759 145 P CB 0.177 31.901 31.700 0.040 0.000 0.782 146 Y N 1.327 121.656 120.300 0.048 0.000 2.299 146 Y HA 0.466 5.016 4.550 -0.000 0.000 0.335 146 Y C 1.067 176.983 175.900 0.026 0.000 1.287 146 Y CA -1.603 56.519 58.100 0.036 0.000 1.424 146 Y CB 0.013 38.493 38.460 0.035 0.000 1.326 146 Y HN 0.403 nan 8.280 nan 0.000 0.567 147 A N 1.874 124.805 122.820 0.186 0.000 2.374 147 A HA 0.451 4.771 4.320 -0.000 0.000 0.305 147 A C -0.447 177.170 177.584 0.055 0.000 1.053 147 A CA -1.139 50.956 52.037 0.096 0.000 0.726 147 A CB 0.758 19.796 19.000 0.063 0.000 1.229 147 A HN 0.714 nan 8.150 nan 0.000 0.431 148 K N 1.171 121.598 120.400 0.046 0.000 2.491 148 K HA 0.278 4.598 4.320 -0.000 0.000 0.279 148 K C 1.365 177.962 176.600 -0.005 0.000 1.026 148 K CA 1.822 58.120 56.287 0.017 0.000 1.070 148 K CB 0.013 32.528 32.500 0.025 0.000 0.887 148 K HN 1.786 nan 8.250 nan 0.000 0.481 149 G N 2.403 111.182 108.800 -0.034 0.000 2.189 149 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.267 149 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.267 149 G C 0.428 175.301 174.900 -0.045 0.000 0.975 149 G CA 0.181 45.256 45.100 -0.042 0.000 0.644 149 G HN 0.915 nan 8.290 nan 0.000 0.537 150 G N -0.577 108.199 108.800 -0.040 0.000 2.557 150 G HA2 0.569 4.529 3.960 -0.000 0.000 0.292 150 G HA3 0.569 4.529 3.960 -0.000 0.000 0.292 150 G C -0.078 174.776 174.900 -0.078 0.000 1.237 150 G CA -0.597 44.479 45.100 -0.040 0.000 0.978 150 G HN 0.413 nan 8.290 nan 0.000 0.498 151 K N 0.183 120.542 120.400 -0.068 0.000 2.234 151 K HA 0.408 4.728 4.320 -0.000 0.000 0.277 151 K C -0.813 175.711 176.600 -0.127 0.000 1.038 151 K CA -0.135 56.096 56.287 -0.094 0.000 0.888 151 K CB 1.747 34.218 32.500 -0.050 0.000 1.091 151 K HN 0.235 nan 8.250 nan 0.000 0.467 152 I N 1.195 121.638 120.570 -0.211 0.000 2.493 152 I HA 0.370 4.540 4.170 -0.000 0.000 0.298 152 I C 0.331 176.301 176.117 -0.244 0.000 0.998 152 I CA -0.564 60.549 61.300 -0.313 0.000 1.137 152 I CB 2.141 39.784 38.000 -0.595 0.000 1.310 152 I HN 0.654 nan 8.210 nan 0.000 0.445 153 G N 6.257 114.947 108.800 -0.183 0.000 2.643 153 G HA2 0.680 4.640 3.960 -0.000 0.000 0.305 153 G HA3 0.680 4.640 3.960 -0.000 0.000 0.305 153 G C -1.121 173.720 174.900 -0.098 0.000 1.387 153 G CA -0.503 44.480 45.100 -0.195 0.000 0.982 153 G HN 0.431 nan 8.290 nan 0.000 0.501 154 L N 2.365 123.497 121.223 -0.153 0.000 2.283 154 L HA 0.451 4.791 4.340 -0.000 0.000 0.281 154 L C -0.792 176.045 176.870 -0.054 0.000 1.033 154 L CA -0.608 54.234 54.840 0.003 0.000 0.848 154 L CB 0.722 42.815 42.059 0.057 0.000 1.226 154 L HN 0.321 nan 8.230 nan 0.000 0.429 155 F N 1.372 121.316 119.950 -0.009 0.000 2.385 155 F HA 0.763 5.290 4.527 -0.000 0.000 0.336 155 F C 0.995 176.797 175.800 0.003 0.000 1.100 155 F CA -0.239 57.740 58.000 -0.034 0.000 1.116 155 F CB 1.953 40.917 39.000 -0.060 0.000 1.166 155 F HN 0.446 nan 8.300 nan 0.000 0.511 156 G N 0.704 109.594 108.800 0.150 0.000 2.556 156 G HA2 0.482 4.442 3.960 -0.000 0.000 0.294 156 G HA3 0.482 4.442 3.960 -0.000 0.000 0.294 156 G C -0.892 173.994 174.900 -0.023 0.000 1.516 156 G CA -0.407 44.742 45.100 0.081 0.000 0.824 156 G HN 0.917 nan 8.290 nan 0.000 0.535 157 G N -0.571 108.200 108.800 -0.049 0.000 2.563 157 G HA2 0.688 4.648 3.960 -0.000 0.000 0.283 157 G HA3 0.688 4.648 3.960 -0.000 0.000 0.283 157 G C 0.729 175.662 174.900 0.054 0.000 1.309 157 G CA 0.350 45.372 45.100 -0.129 0.000 1.022 157 G HN 1.726 nan 8.290 nan 0.000 0.501 158 A N -1.079 121.834 122.820 0.156 0.000 2.545 158 A HA 0.501 4.821 4.320 -0.000 0.000 0.253 158 A C 1.493 179.151 177.584 0.124 0.000 1.074 158 A CA 1.049 53.221 52.037 0.224 0.000 0.760 158 A CB -0.797 18.350 19.000 0.245 0.000 1.005 158 A HN 2.564 nan 8.150 nan 0.000 0.506 159 G N 1.488 110.356 108.800 0.113 0.000 2.246 159 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.273 159 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.273 159 G C 0.424 175.372 174.900 0.081 0.000 1.055 159 G CA 0.216 45.358 45.100 0.071 0.000 0.851 159 G HN 1.294 nan 8.290 nan 0.000 0.500 160 V N -0.741 119.233 119.914 0.100 0.000 3.660 160 V HA 0.522 4.642 4.120 -0.000 0.000 0.276 160 V C 2.023 178.215 176.094 0.163 0.000 1.317 160 V CA 1.556 63.930 62.300 0.123 0.000 1.097 160 V CB 0.314 32.188 31.823 0.084 0.000 0.863 160 V HN 1.985 nan 8.190 nan 0.000 0.438 161 G N 0.267 109.143 108.800 0.127 0.000 2.148 161 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.157 161 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.157 161 G C 0.733 175.728 174.900 0.159 0.000 1.012 161 G CA 0.288 45.469 45.100 0.134 0.000 0.677 161 G HN 0.384 nan 8.290 nan 0.000 0.506 162 K N -0.168 120.317 120.400 0.142 0.000 2.032 162 K HA -0.092 4.228 4.320 -0.000 0.000 0.209 162 K C 2.566 179.257 176.600 0.152 0.000 1.048 162 K CA 2.006 58.379 56.287 0.144 0.000 0.927 162 K CB -0.293 32.283 32.500 0.126 0.000 0.712 162 K HN 0.329 nan 8.250 nan 0.000 0.441 163 T N 1.104 115.744 114.554 0.142 0.000 2.737 163 T HA -0.104 4.246 4.350 -0.000 0.000 0.265 163 T C 2.059 176.850 174.700 0.152 0.000 1.038 163 T CA 1.113 63.303 62.100 0.150 0.000 1.144 163 T CB -0.233 68.721 68.868 0.142 0.000 0.866 163 T HN -0.058 nan 8.240 nan 0.000 0.434 164 V N 1.587 121.593 119.914 0.154 0.000 2.282 164 V HA -0.155 3.965 4.120 -0.000 0.000 0.249 164 V C 2.445 178.682 176.094 0.240 0.000 1.057 164 V CA 1.596 64.017 62.300 0.202 0.000 1.032 164 V CB -0.638 31.307 31.823 0.203 0.000 0.645 164 V HN 0.344 nan 8.190 nan 0.000 0.447 165 L N -0.484 120.914 121.223 0.291 0.000 2.079 165 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 165 L C 2.101 179.053 176.870 0.138 0.000 1.081 165 L CA 1.861 56.872 54.840 0.285 0.000 0.752 165 L CB -0.474 41.783 42.059 0.331 0.000 0.896 165 L HN 0.262 nan 8.230 nan 0.000 0.433 166 I N -1.433 119.224 120.570 0.145 0.000 2.394 166 I HA -0.270 3.900 4.170 -0.000 0.000 0.251 166 I C 1.982 178.097 176.117 -0.002 0.000 1.136 166 I CA 0.701 62.070 61.300 0.114 0.000 1.425 166 I CB 0.063 38.166 38.000 0.171 0.000 1.079 166 I HN 0.323 nan 8.210 nan 0.000 0.425 167 M N -0.236 119.373 119.600 0.016 0.000 2.132 167 M HA -0.203 4.277 4.480 -0.000 0.000 0.263 167 M C 2.099 178.339 176.300 -0.099 0.000 1.065 167 M CA 1.582 56.856 55.300 -0.043 0.000 1.122 167 M CB -1.356 31.257 32.600 0.021 0.000 1.365 167 M HN 0.134 nan 8.290 nan 0.000 0.411 168 E N 0.416 120.531 120.200 -0.141 0.000 2.204 168 E HA -0.079 4.271 4.350 -0.000 0.000 0.194 168 E C 1.996 178.469 176.600 -0.212 0.000 0.989 168 E CA 0.818 57.043 56.400 -0.293 0.000 0.824 168 E CB -0.131 29.082 29.700 -0.813 0.000 0.756 168 E HN 0.457 nan 8.360 nan 0.000 0.477 169 L N -0.023 121.130 121.223 -0.117 0.000 2.156 169 L HA -0.053 4.287 4.340 -0.000 0.000 0.208 169 L C 2.209 179.072 176.870 -0.012 0.000 1.095 169 L CA 0.640 55.482 54.840 0.004 0.000 0.770 169 L CB -0.190 41.982 42.059 0.188 0.000 0.914 169 L HN 0.220 nan 8.230 nan 0.000 0.439 170 I N -0.220 120.245 120.570 -0.175 0.000 2.252 170 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 170 I C 2.270 178.337 176.117 -0.083 0.000 1.102 170 I CA 1.179 62.334 61.300 -0.242 0.000 1.385 170 I CB -0.281 37.465 38.000 -0.423 0.000 1.064 170 I HN 0.337 nan 8.210 nan 0.000 0.414 171 N N 1.543 120.188 118.700 -0.090 0.000 2.022 171 N HA -0.194 4.546 4.740 -0.000 0.000 0.194 171 N C 1.393 176.883 175.510 -0.034 0.000 1.057 171 N CA 1.809 54.822 53.050 -0.061 0.000 0.849 171 N CB -0.175 38.264 38.487 -0.080 0.000 1.044 171 N HN 0.146 nan 8.380 nan 0.000 0.424 172 N N -0.911 117.760 118.700 -0.048 0.000 2.609 172 N HA -0.022 4.718 4.740 -0.000 0.000 0.190 172 N C 0.526 176.046 175.510 0.018 0.000 1.157 172 N CA 0.410 53.443 53.050 -0.027 0.000 0.918 172 N CB 0.468 38.918 38.487 -0.062 0.000 0.978 172 N HN 0.203 nan 8.380 nan 0.000 0.448 173 V N -1.409 118.536 119.914 0.052 0.000 3.359 173 V HA 0.228 4.348 4.120 -0.000 0.000 0.204 173 V C 1.844 178.019 176.094 0.135 0.000 1.410 173 V CA 0.578 62.936 62.300 0.098 0.000 1.303 173 V CB -0.612 31.293 31.823 0.137 0.000 1.198 173 V HN 0.103 nan 8.190 nan 0.000 0.531 174 A N 0.558 123.480 122.820 0.170 0.000 1.902 174 A HA -0.202 4.117 4.320 -0.000 0.000 0.217 174 A C 2.062 179.744 177.584 0.164 0.000 1.181 174 A CA 2.108 54.274 52.037 0.216 0.000 0.623 174 A CB -0.436 18.701 19.000 0.227 0.000 0.818 174 A HN 0.521 nan 8.150 nan 0.000 0.443 175 K N -0.524 119.931 120.400 0.092 0.000 2.147 175 K HA -0.057 4.262 4.320 -0.000 0.000 0.205 175 K C 1.513 178.152 176.600 0.066 0.000 1.049 175 K CA 1.196 57.521 56.287 0.062 0.000 0.936 175 K CB -0.221 32.293 32.500 0.024 0.000 0.722 175 K HN 0.433 nan 8.250 nan 0.000 0.446 176 A N 0.720 123.588 122.820 0.080 0.000 2.545 176 A HA 0.040 4.360 4.320 -0.000 0.000 0.277 176 A C 1.072 178.718 177.584 0.104 0.000 1.301 176 A CA -0.102 51.974 52.037 0.066 0.000 0.935 176 A CB -0.348 18.682 19.000 0.049 0.000 1.093 176 A HN 0.229 nan 8.150 nan 0.000 0.519 177 H N 1.027 120.107 119.070 0.017 0.000 2.419 177 H HA 0.137 4.693 4.556 -0.000 0.000 0.297 177 H C 1.365 176.671 175.328 -0.036 0.000 1.044 177 H CA 1.970 58.020 56.048 0.005 0.000 1.178 177 H CB -0.454 29.324 29.762 0.027 0.000 1.407 177 H HN 0.879 nan 8.280 nan 0.000 0.574 178 G N -0.995 107.492 108.800 -0.521 0.000 2.756 178 G HA2 0.343 4.303 3.960 -0.000 0.000 0.272 178 G HA3 0.343 4.303 3.960 -0.000 0.000 0.272 178 G C 0.249 174.544 174.900 -1.008 0.000 1.128 178 G CA 0.639 45.394 45.100 -0.576 0.000 1.145 178 G HN 1.171 nan 8.290 nan 0.000 0.545 179 G N -0.894 107.316 108.800 -0.984 0.000 2.341 179 G HA2 0.591 4.551 3.960 -0.000 0.000 0.293 179 G HA3 0.591 4.551 3.960 -0.000 0.000 0.293 179 G C -0.651 173.949 174.900 -0.501 0.000 1.298 179 G CA -0.293 44.326 45.100 -0.801 0.000 0.868 179 G HN 0.856 nan 8.290 nan 0.000 0.540 180 Y N -0.009 120.271 120.300 -0.034 0.000 2.408 180 Y HA 0.789 5.339 4.550 -0.000 0.000 0.324 180 Y C 1.025 177.000 175.900 0.125 0.000 1.302 180 Y CA -0.546 57.511 58.100 -0.072 0.000 1.384 180 Y CB 1.647 39.804 38.460 -0.504 0.000 1.367 180 Y HN 0.501 nan 8.280 nan 0.000 0.525 181 S N -0.163 115.726 115.700 0.315 0.000 2.536 181 S HA 0.690 5.160 4.470 -0.000 0.000 0.271 181 S C -1.636 173.147 174.600 0.305 0.000 1.134 181 S CA -0.831 57.546 58.200 0.296 0.000 0.897 181 S CB 1.871 65.285 63.200 0.357 0.000 1.094 181 S HN 0.306 nan 8.310 nan 0.000 0.473 182 V N 2.998 123.080 119.914 0.280 0.000 2.577 182 V HA 0.558 4.678 4.120 -0.000 0.000 0.303 182 V C -1.392 174.865 176.094 0.270 0.000 1.042 182 V CA -0.631 61.819 62.300 0.250 0.000 0.872 182 V CB 1.384 33.314 31.823 0.179 0.000 0.998 182 V HN 0.847 nan 8.190 nan 0.000 0.423 183 F N 4.375 124.399 119.950 0.122 0.000 2.403 183 F HA 0.803 5.329 4.527 -0.000 0.000 0.355 183 F C 0.242 175.965 175.800 -0.128 0.000 1.119 183 F CA -0.693 57.355 58.000 0.080 0.000 1.007 183 F CB 1.164 40.219 39.000 0.091 0.000 1.194 183 F HN 0.580 nan 8.300 nan 0.000 0.443 184 A N 4.454 126.999 122.820 -0.458 0.000 2.258 184 A HA 0.637 4.957 4.320 -0.000 0.000 0.316 184 A C 0.128 177.386 177.584 -0.542 0.000 1.279 184 A CA -0.333 51.454 52.037 -0.417 0.000 0.876 184 A CB 0.232 19.058 19.000 -0.289 0.000 1.170 184 A HN 1.014 nan 8.150 nan 0.000 0.520 185 G N 1.794 110.270 108.800 -0.540 0.000 2.457 185 G HA2 0.487 4.447 3.960 -0.000 0.000 0.316 185 G HA3 0.487 4.447 3.960 -0.000 0.000 0.316 185 G C -0.465 174.396 174.900 -0.065 0.000 1.030 185 G CA -0.142 44.835 45.100 -0.205 0.000 1.073 185 G HN 0.672 nan 8.290 nan 0.000 0.430 186 V N 2.623 122.507 119.914 -0.051 0.000 2.350 186 V HA 0.565 4.685 4.120 -0.000 0.000 0.276 186 V C 1.301 177.418 176.094 0.037 0.000 1.028 186 V CA 0.332 62.627 62.300 -0.008 0.000 0.860 186 V CB 0.822 32.625 31.823 -0.033 0.000 0.990 186 V HN 1.203 nan 8.190 nan 0.000 0.453 187 G N 3.397 112.227 108.800 0.050 0.000 2.321 187 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.287 187 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.287 187 G C 0.251 175.189 174.900 0.063 0.000 1.018 187 G CA 0.532 45.659 45.100 0.044 0.000 0.855 187 G HN 0.630 nan 8.290 nan 0.000 0.507 188 E N -0.668 119.595 120.200 0.105 0.000 3.232 188 E HA 0.425 4.775 4.350 -0.000 0.000 0.248 188 E C 0.927 177.593 176.600 0.110 0.000 1.048 188 E CA -0.853 55.617 56.400 0.116 0.000 1.204 188 E CB 0.506 30.297 29.700 0.152 0.000 1.535 188 E HN 0.382 nan 8.360 nan 0.000 0.567 189 R N 0.374 120.940 120.500 0.111 0.000 2.298 189 R HA 0.206 4.546 4.340 -0.000 0.000 0.310 189 R C 1.171 177.514 176.300 0.071 0.000 1.068 189 R CA -0.021 56.127 56.100 0.080 0.000 0.957 189 R CB 0.482 30.824 30.300 0.070 0.000 1.003 189 R HN 0.407 nan 8.270 nan 0.000 0.454 190 T N 2.372 116.947 114.554 0.036 0.000 2.720 190 T HA -0.219 4.131 4.350 -0.000 0.000 0.268 190 T C 1.802 176.481 174.700 -0.035 0.000 1.037 190 T CA 1.565 63.656 62.100 -0.016 0.000 1.144 190 T CB -0.155 68.700 68.868 -0.022 0.000 0.864 190 T HN 0.582 nan 8.240 nan 0.000 0.444 191 R N 1.159 121.660 120.500 0.002 0.000 2.119 191 R HA -0.204 4.136 4.340 -0.000 0.000 0.246 191 R C 2.122 178.429 176.300 0.011 0.000 1.146 191 R CA 2.093 58.200 56.100 0.012 0.000 0.962 191 R CB -0.220 30.099 30.300 0.031 0.000 0.863 191 R HN 0.524 nan 8.270 nan 0.000 0.442 192 E N -0.882 119.336 120.200 0.029 0.000 2.077 192 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 192 E C 1.985 178.581 176.600 -0.006 0.000 0.989 192 E CA 1.072 57.498 56.400 0.044 0.000 0.800 192 E CB -0.240 29.523 29.700 0.105 0.000 0.746 192 E HN 0.648 nan 8.360 nan 0.000 0.452 193 G N 1.152 109.901 108.800 -0.085 0.000 2.422 193 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.218 193 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.218 193 G C 1.415 176.144 174.900 -0.283 0.000 1.146 193 G CA 1.112 45.990 45.100 -0.370 0.000 0.769 193 G HN 0.197 nan 8.290 nan 0.000 0.547 194 N N 0.352 118.954 118.700 -0.163 0.000 2.171 194 N HA -0.070 4.670 4.740 -0.000 0.000 0.184 194 N C 1.691 177.221 175.510 0.032 0.000 1.021 194 N CA 1.369 54.386 53.050 -0.056 0.000 0.854 194 N CB -0.047 38.450 38.487 0.016 0.000 0.994 194 N HN 0.096 nan 8.380 nan 0.000 0.426 195 D N 0.219 120.634 120.400 0.025 0.000 2.104 195 D HA -0.159 4.481 4.640 -0.000 0.000 0.194 195 D C 1.882 178.187 176.300 0.007 0.000 0.994 195 D CA 0.716 54.739 54.000 0.039 0.000 0.830 195 D CB -0.499 40.319 40.800 0.029 0.000 0.959 195 D HN 0.249 nan 8.370 nan 0.000 0.452 196 L N -0.168 121.030 121.223 -0.042 0.000 2.046 196 L HA -0.185 4.154 4.340 -0.000 0.000 0.208 196 L C 2.238 179.087 176.870 -0.036 0.000 1.077 196 L CA 1.480 56.264 54.840 -0.093 0.000 0.747 196 L CB -0.725 41.199 42.059 -0.226 0.000 0.896 196 L HN 0.022 nan 8.230 nan 0.000 0.432 197 Y N 0.320 120.502 120.300 -0.196 0.000 2.070 197 Y HA -0.323 4.227 4.550 -0.000 0.000 0.280 197 Y C 2.629 178.407 175.900 -0.205 0.000 1.148 197 Y CA 2.328 60.288 58.100 -0.233 0.000 1.125 197 Y CB -0.926 37.302 38.460 -0.387 0.000 0.975 197 Y HN 0.445 nan 8.280 nan 0.000 0.492 198 H N -0.806 118.195 119.070 -0.115 0.000 2.489 198 H HA -0.099 4.457 4.556 -0.000 0.000 0.293 198 H C 1.971 177.206 175.328 -0.156 0.000 1.066 198 H CA 1.286 57.208 56.048 -0.209 0.000 1.305 198 H CB 0.128 29.824 29.762 -0.111 0.000 1.386 198 H HN 0.474 nan 8.280 nan 0.000 0.551 199 E N -0.084 120.105 120.200 -0.019 0.000 2.086 199 E HA -0.092 4.258 4.350 -0.000 0.000 0.190 199 E C 1.921 178.485 176.600 -0.061 0.000 0.975 199 E CA 0.615 56.993 56.400 -0.036 0.000 0.813 199 E CB 0.200 29.875 29.700 -0.041 0.000 0.768 199 E HN 0.344 nan 8.360 nan 0.000 0.457 200 M N 0.231 119.786 119.600 -0.075 0.000 2.149 200 M HA -0.176 4.304 4.480 -0.000 0.000 0.261 200 M C 2.285 178.540 176.300 -0.075 0.000 1.064 200 M CA 1.482 56.746 55.300 -0.059 0.000 1.102 200 M CB -0.815 31.771 32.600 -0.023 0.000 1.369 200 M HN 0.179 nan 8.290 nan 0.000 0.408 201 I N -0.003 120.482 120.570 -0.141 0.000 2.163 201 I HA -0.220 3.949 4.170 -0.000 0.000 0.240 201 I C 2.339 178.409 176.117 -0.079 0.000 1.081 201 I CA 0.973 62.191 61.300 -0.138 0.000 1.353 201 I CB -0.420 37.445 38.000 -0.226 0.000 1.054 201 I HN 0.217 nan 8.210 nan 0.000 0.407 202 E N 0.634 120.794 120.200 -0.066 0.000 2.396 202 E HA -0.167 4.183 4.350 -0.000 0.000 0.200 202 E C 1.769 178.345 176.600 -0.040 0.000 1.023 202 E CA 1.252 57.623 56.400 -0.048 0.000 0.857 202 E CB -0.197 29.477 29.700 -0.042 0.000 0.775 202 E HN 0.504 nan 8.360 nan 0.000 0.525 203 S N -2.160 113.516 115.700 -0.039 0.000 2.663 203 S HA 0.329 4.799 4.470 -0.000 0.000 0.243 203 S C 1.374 175.961 174.600 -0.021 0.000 1.009 203 S CA 0.445 58.628 58.200 -0.028 0.000 0.988 203 S CB 0.585 63.769 63.200 -0.027 0.000 0.896 203 S HN 0.182 nan 8.310 nan 0.000 0.502 204 G N 1.085 109.870 108.800 -0.024 0.000 2.186 204 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.266 204 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.266 204 G C 0.813 175.712 174.900 -0.001 0.000 0.982 204 G CA 0.565 45.656 45.100 -0.014 0.000 0.670 204 G HN 0.922 nan 8.290 nan 0.000 0.533 205 V N -0.260 119.655 119.914 0.001 0.000 2.626 205 V HA 0.184 4.304 4.120 -0.000 0.000 0.252 205 V C 1.623 177.739 176.094 0.037 0.000 1.067 205 V CA 1.538 63.853 62.300 0.025 0.000 1.081 205 V CB -0.211 31.631 31.823 0.032 0.000 0.686 205 V HN 0.507 nan 8.190 nan 0.000 0.468 206 I N 1.115 121.693 120.570 0.014 0.000 2.441 206 I HA 0.395 4.565 4.170 -0.000 0.000 0.295 206 I C -0.465 175.653 176.117 0.002 0.000 0.994 206 I CA -0.264 61.050 61.300 0.024 0.000 1.144 206 I CB 1.716 39.726 38.000 0.017 0.000 1.314 206 I HN 0.101 nan 8.210 nan 0.000 0.445 207 N N 6.543 125.255 118.700 0.020 0.000 2.491 207 N HA 0.353 5.093 4.740 -0.000 0.000 0.274 207 N C 0.198 175.721 175.510 0.021 0.000 1.023 207 N CA -0.424 52.633 53.050 0.011 0.000 0.902 207 N CB 1.665 40.162 38.487 0.015 0.000 1.267 207 N HN 0.535 nan 8.380 nan 0.000 0.503 208 L N 1.915 123.145 121.223 0.012 0.000 2.395 208 L HA 0.093 4.433 4.340 -0.000 0.000 0.218 208 L C 1.692 178.577 176.870 0.025 0.000 1.130 208 L CA 0.557 55.413 54.840 0.027 0.000 0.826 208 L CB -0.054 42.021 42.059 0.027 0.000 0.941 208 L HN 0.248 nan 8.230 nan 0.000 0.451 209 K N 0.166 120.575 120.400 0.016 0.000 2.242 209 K HA 0.093 4.413 4.320 -0.000 0.000 0.200 209 K C 0.306 176.915 176.600 0.015 0.000 1.050 209 K CA 0.568 56.864 56.287 0.014 0.000 0.981 209 K CB 0.050 32.554 32.500 0.008 0.000 0.795 209 K HN 0.458 nan 8.250 nan 0.000 0.477 210 D N -1.805 118.604 120.400 0.016 0.000 2.801 210 D HA 0.355 4.995 4.640 -0.000 0.000 0.277 210 D C -0.368 175.945 176.300 0.022 0.000 1.125 210 D CA -0.755 53.256 54.000 0.017 0.000 1.102 210 D CB 0.347 41.155 40.800 0.014 0.000 1.400 210 D HN -0.146 nan 8.370 nan 0.000 0.601 211 A N -0.695 122.139 122.820 0.023 0.000 2.476 211 A HA 0.275 4.595 4.320 -0.000 0.000 0.263 211 A C 1.159 178.764 177.584 0.035 0.000 1.342 211 A CA 0.436 52.489 52.037 0.027 0.000 0.926 211 A CB -1.212 17.804 19.000 0.027 0.000 1.019 211 A HN 0.577 nan 8.150 nan 0.000 0.515 212 T N -2.991 111.581 114.554 0.031 0.000 3.129 212 T HA 0.120 4.470 4.350 -0.000 0.000 0.251 212 T C 0.670 175.399 174.700 0.047 0.000 1.117 212 T CA 0.273 62.394 62.100 0.035 0.000 1.034 212 T CB -0.410 68.470 68.868 0.020 0.000 0.968 212 T HN 0.158 nan 8.240 nan 0.000 0.526 213 S N 1.823 117.553 115.700 0.051 0.000 2.546 213 S HA 0.166 4.636 4.470 -0.000 0.000 0.290 213 S C 0.979 175.636 174.600 0.095 0.000 1.262 213 S CA -0.253 57.984 58.200 0.063 0.000 1.083 213 S CB 0.662 63.897 63.200 0.058 0.000 0.859 213 S HN 0.424 nan 8.310 nan 0.000 0.495 214 K N 1.909 122.376 120.400 0.112 0.000 2.358 214 K HA 0.228 4.548 4.320 -0.000 0.000 0.197 214 K C -0.707 176.008 176.600 0.192 0.000 1.025 214 K CA 0.223 56.613 56.287 0.171 0.000 1.104 214 K CB 0.548 33.113 32.500 0.108 0.000 0.855 214 K HN 0.390 nan 8.250 nan 0.000 0.531 215 V N 0.853 120.855 119.914 0.148 0.000 2.733 215 V HA 0.432 4.552 4.120 -0.000 0.000 0.306 215 V C -0.894 175.296 176.094 0.160 0.000 1.084 215 V CA -1.261 61.144 62.300 0.175 0.000 0.905 215 V CB 1.643 33.577 31.823 0.184 0.000 1.010 215 V HN 0.063 nan 8.190 nan 0.000 0.424 216 A N 5.296 128.229 122.820 0.188 0.000 2.312 216 A HA 0.936 5.256 4.320 -0.000 0.000 0.326 216 A C -0.818 176.873 177.584 0.178 0.000 1.172 216 A CA -0.470 51.671 52.037 0.172 0.000 0.821 216 A CB 0.746 19.871 19.000 0.209 0.000 1.166 216 A HN 0.810 nan 8.150 nan 0.000 0.493 217 L N 2.159 123.473 121.223 0.152 0.000 2.346 217 L HA 0.702 5.042 4.340 -0.000 0.000 0.274 217 L C -0.945 175.984 176.870 0.097 0.000 1.007 217 L CA -0.927 54.016 54.840 0.170 0.000 0.818 217 L CB 2.060 44.284 42.059 0.274 0.000 1.284 217 L HN 0.427 nan 8.230 nan 0.000 0.424 218 V N 2.056 121.948 119.914 -0.036 0.000 2.686 218 V HA 0.479 4.599 4.120 -0.000 0.000 0.306 218 V C -1.382 174.552 176.094 -0.266 0.000 1.065 218 V CA -0.726 61.532 62.300 -0.069 0.000 0.894 218 V CB 1.883 33.660 31.823 -0.078 0.000 1.004 218 V HN 0.452 nan 8.190 nan 0.000 0.424 219 Y N 1.319 121.634 120.300 0.025 0.000 2.442 219 Y HA 0.751 5.301 4.550 -0.000 0.000 0.344 219 Y C 0.574 176.483 175.900 0.014 0.000 0.976 219 Y CA -0.620 57.499 58.100 0.031 0.000 1.040 219 Y CB 2.869 41.340 38.460 0.019 0.000 1.228 219 Y HN 0.737 nan 8.280 nan 0.000 0.451 220 G N 3.408 112.310 108.800 0.169 0.000 4.079 220 G HA2 0.202 4.162 3.960 -0.000 0.000 0.271 220 G HA3 0.202 4.162 3.960 -0.000 0.000 0.271 220 G C -0.789 174.174 174.900 0.107 0.000 1.144 220 G CA -0.589 44.572 45.100 0.102 0.000 0.700 220 G HN 0.330 nan 8.290 nan 0.000 0.500 221 Q N 0.399 120.283 119.800 0.140 0.000 2.841 221 Q HA 0.189 4.529 4.340 -0.000 0.000 0.198 221 Q C 1.753 177.792 176.000 0.064 0.000 1.135 221 Q CA -0.220 55.654 55.803 0.117 0.000 1.167 221 Q CB 0.671 29.482 28.738 0.121 0.000 1.288 221 Q HN 0.442 nan 8.270 nan 0.000 0.670 222 M N 0.681 120.313 119.600 0.054 0.000 2.549 222 M HA -0.142 4.338 4.480 -0.000 0.000 0.260 222 M C 0.956 177.269 176.300 0.022 0.000 1.076 222 M CA 1.089 56.407 55.300 0.031 0.000 1.090 222 M CB -0.448 32.169 32.600 0.027 0.000 1.418 222 M HN 0.582 nan 8.290 nan 0.000 0.486 223 N N -0.547 118.168 118.700 0.025 0.000 2.276 223 N HA 0.073 4.813 4.740 -0.000 0.000 0.212 223 N C -0.318 175.201 175.510 0.016 0.000 1.127 223 N CA -0.251 52.810 53.050 0.017 0.000 0.834 223 N CB 0.409 38.905 38.487 0.015 0.000 1.014 223 N HN 0.087 nan 8.380 nan 0.000 0.491 224 E N 1.163 121.374 120.200 0.018 0.000 2.232 224 E HA 0.403 4.753 4.350 -0.000 0.000 0.264 224 E C -2.525 174.079 176.600 0.007 0.000 0.973 224 E CA -2.144 54.266 56.400 0.016 0.000 0.849 224 E CB 1.138 30.852 29.700 0.023 0.000 1.198 224 E HN 0.086 nan 8.360 nan 0.000 0.407 225 P HA 0.150 nan 4.420 nan 0.000 0.278 225 P C -1.912 175.385 177.300 -0.006 0.000 1.238 225 P CA -1.355 61.745 63.100 -0.000 0.000 0.794 225 P CB 0.156 31.858 31.700 0.002 0.000 0.955 226 P HA -0.293 nan 4.420 nan 0.000 0.219 226 P C 1.512 178.796 177.300 -0.026 0.000 1.153 226 P CA 2.323 65.404 63.100 -0.032 0.000 0.865 226 P CB -0.617 31.059 31.700 -0.039 0.000 0.788 227 G N 0.241 109.035 108.800 -0.010 0.000 2.446 227 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 227 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 227 G C 1.847 176.755 174.900 0.014 0.000 1.168 227 G CA 1.410 46.512 45.100 0.004 0.000 0.771 227 G HN 0.427 nan 8.290 nan 0.000 0.551 228 A N 0.721 123.549 122.820 0.014 0.000 1.902 228 A HA -0.016 4.304 4.320 -0.000 0.000 0.217 228 A C 2.443 180.040 177.584 0.021 0.000 1.181 228 A CA 1.705 53.754 52.037 0.020 0.000 0.623 228 A CB -0.409 18.603 19.000 0.021 0.000 0.818 228 A HN 0.360 nan 8.150 nan 0.000 0.443 229 R N -0.556 119.950 120.500 0.011 0.000 2.120 229 R HA -0.045 4.295 4.340 -0.000 0.000 0.234 229 R C 2.100 178.415 176.300 0.025 0.000 1.123 229 R CA 1.053 57.158 56.100 0.008 0.000 0.975 229 R CB -0.377 29.914 30.300 -0.015 0.000 0.866 229 R HN 0.490 nan 8.270 nan 0.000 0.446 230 A N 0.387 123.212 122.820 0.008 0.000 2.235 230 A HA 0.003 4.323 4.320 -0.000 0.000 0.208 230 A C 1.552 179.236 177.584 0.166 0.000 1.172 230 A CA 0.709 52.759 52.037 0.022 0.000 0.786 230 A CB 0.117 19.079 19.000 -0.063 0.000 0.804 230 A HN 0.080 nan 8.150 nan 0.000 0.479 231 R N -1.509 119.052 120.500 0.102 0.000 2.470 231 R HA 0.054 4.394 4.340 -0.000 0.000 0.210 231 R C 1.906 178.206 176.300 -0.000 0.000 0.873 231 R CA 1.255 57.390 56.100 0.057 0.000 1.015 231 R CB -0.875 29.440 30.300 0.025 0.000 1.348 231 R HN 0.444 nan 8.270 nan 0.000 0.650 232 V N 0.255 120.171 119.914 0.003 0.000 2.313 232 V HA -0.236 3.884 4.120 -0.000 0.000 0.253 232 V C 2.390 178.434 176.094 -0.083 0.000 1.070 232 V CA 2.191 64.471 62.300 -0.035 0.000 1.057 232 V CB -1.432 30.377 31.823 -0.024 0.000 0.653 232 V HN 0.176 nan 8.190 nan 0.000 0.450 233 A N 0.808 123.577 122.820 -0.086 0.000 1.940 233 A HA -0.090 4.230 4.320 -0.000 0.000 0.219 233 A C 2.275 179.739 177.584 -0.200 0.000 1.176 233 A CA 2.280 54.215 52.037 -0.169 0.000 0.631 233 A CB -0.636 18.226 19.000 -0.230 0.000 0.814 233 A HN 0.601 nan 8.150 nan 0.000 0.446 234 L N -1.112 119.999 121.223 -0.187 0.000 2.056 234 L HA -0.155 4.184 4.340 -0.000 0.000 0.207 234 L C 2.812 179.578 176.870 -0.173 0.000 1.078 234 L CA 1.785 56.499 54.840 -0.210 0.000 0.749 234 L CB -1.246 40.658 42.059 -0.258 0.000 0.901 234 L HN 0.336 nan 8.230 nan 0.000 0.433 235 T N 0.037 114.508 114.554 -0.138 0.000 2.622 235 T HA -0.168 4.182 4.350 -0.000 0.000 0.266 235 T C 1.836 176.465 174.700 -0.119 0.000 1.047 235 T CA 1.651 63.683 62.100 -0.113 0.000 1.159 235 T CB -0.655 68.165 68.868 -0.079 0.000 0.863 235 T HN 0.567 nan 8.240 nan 0.000 0.422 236 G N 1.385 110.111 108.800 -0.123 0.000 2.440 236 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.218 236 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.218 236 G C 1.572 176.398 174.900 -0.123 0.000 1.154 236 G CA 1.111 46.138 45.100 -0.122 0.000 0.767 236 G HN 0.474 nan 8.290 nan 0.000 0.552 237 L N 0.743 121.877 121.223 -0.148 0.000 2.046 237 L HA 0.001 4.341 4.340 -0.000 0.000 0.208 237 L C 2.770 179.565 176.870 -0.125 0.000 1.077 237 L CA 2.705 57.459 54.840 -0.145 0.000 0.747 237 L CB -0.956 40.996 42.059 -0.177 0.000 0.896 237 L HN 0.154 nan 8.230 nan 0.000 0.432 238 T N -0.779 113.696 114.554 -0.132 0.000 2.746 238 T HA -0.170 4.180 4.350 -0.000 0.000 0.267 238 T C 1.960 176.573 174.700 -0.146 0.000 1.039 238 T CA 1.693 63.718 62.100 -0.125 0.000 1.142 238 T CB -0.422 68.372 68.868 -0.124 0.000 0.866 238 T HN 0.227 nan 8.240 nan 0.000 0.444 239 V N 1.761 121.574 119.914 -0.167 0.000 2.233 239 V HA -0.226 3.894 4.120 -0.000 0.000 0.247 239 V C 2.903 178.827 176.094 -0.282 0.000 1.050 239 V CA 1.910 64.060 62.300 -0.251 0.000 1.010 239 V CB -1.268 30.454 31.823 -0.168 0.000 0.637 239 V HN 0.547 nan 8.190 nan 0.000 0.444 240 A N -0.415 122.340 122.820 -0.109 0.000 1.940 240 A HA -0.294 4.026 4.320 -0.000 0.000 0.219 240 A C 2.105 179.676 177.584 -0.021 0.000 1.176 240 A CA 2.138 54.178 52.037 0.004 0.000 0.631 240 A CB -0.574 18.434 19.000 0.013 0.000 0.814 240 A HN 0.685 nan 8.150 nan 0.000 0.446 241 E N -1.745 118.415 120.200 -0.066 0.000 2.153 241 E HA -0.222 4.128 4.350 -0.000 0.000 0.194 241 E C 1.780 178.345 176.600 -0.057 0.000 0.988 241 E CA 1.407 57.776 56.400 -0.052 0.000 0.811 241 E CB -0.358 29.308 29.700 -0.058 0.000 0.746 241 E HN 0.839 nan 8.360 nan 0.000 0.466 242 Y N 0.733 120.887 120.300 -0.243 0.000 2.070 242 Y HA -0.272 4.278 4.550 -0.000 0.000 0.280 242 Y C 1.734 177.537 175.900 -0.161 0.000 1.148 242 Y CA 1.635 59.564 58.100 -0.285 0.000 1.125 242 Y CB -0.306 37.863 38.460 -0.485 0.000 0.975 242 Y HN -0.064 nan 8.280 nan 0.000 0.492 243 F N 0.577 120.576 119.950 0.080 0.000 2.408 243 F HA -0.079 4.448 4.527 -0.000 0.000 0.300 243 F C 2.576 178.358 175.800 -0.030 0.000 1.090 243 F CA 1.384 59.405 58.000 0.035 0.000 1.427 243 F CB -0.809 38.332 39.000 0.236 0.000 1.070 243 F HN 0.114 nan 8.300 nan 0.000 0.549 244 R N 0.323 120.871 120.500 0.080 0.000 2.057 244 R HA -0.075 4.265 4.340 -0.000 0.000 0.224 244 R C 1.528 177.806 176.300 -0.037 0.000 1.136 244 R CA 1.603 57.723 56.100 0.032 0.000 0.968 244 R CB -0.115 30.192 30.300 0.011 0.000 0.863 244 R HN 0.102 nan 8.270 nan 0.000 0.433 245 D N 0.239 120.581 120.400 -0.097 0.000 2.255 245 D HA -0.082 4.557 4.640 -0.000 0.000 0.224 245 D C 2.064 178.259 176.300 -0.175 0.000 0.997 245 D CA 0.672 54.604 54.000 -0.113 0.000 0.906 245 D CB -0.528 40.219 40.800 -0.088 0.000 1.047 245 D HN 0.083 nan 8.370 nan 0.000 0.458 246 Q N 0.737 120.337 119.800 -0.333 0.000 2.197 246 Q HA -0.139 4.201 4.340 -0.000 0.000 0.207 246 Q C 1.707 177.497 176.000 -0.350 0.000 0.984 246 Q CA 1.341 56.886 55.803 -0.430 0.000 0.869 246 Q CB -0.055 28.231 28.738 -0.753 0.000 0.906 246 Q HN 0.578 nan 8.270 nan 0.000 0.426 247 E N -2.166 117.836 120.200 -0.329 0.000 2.329 247 E HA 0.264 4.614 4.350 -0.000 0.000 0.189 247 E C 1.050 177.630 176.600 -0.032 0.000 0.997 247 E CA 0.592 56.935 56.400 -0.094 0.000 1.062 247 E CB 0.363 30.104 29.700 0.069 0.000 1.260 247 E HN 0.321 nan 8.360 nan 0.000 0.490 248 G N 1.770 110.572 108.800 0.004 0.000 2.179 248 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.220 248 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.220 248 G C 0.556 175.472 174.900 0.026 0.000 0.990 248 G CA 0.416 45.523 45.100 0.011 0.000 0.646 248 G HN 0.275 nan 8.290 nan 0.000 0.517 249 Q N 1.246 121.066 119.800 0.032 0.000 2.362 249 Q HA 0.411 4.751 4.340 -0.000 0.000 0.210 249 Q C -0.310 175.681 176.000 -0.015 0.000 0.924 249 Q CA 0.418 56.205 55.803 -0.026 0.000 0.982 249 Q CB -0.475 28.195 28.738 -0.113 0.000 1.028 249 Q HN 0.529 nan 8.270 nan 0.000 0.482 250 D N -1.359 119.068 120.400 0.046 0.000 7.496 250 D HA -0.113 4.527 4.640 -0.000 0.000 0.252 250 D C -1.211 175.194 176.300 0.174 0.000 2.088 250 D CA 0.391 54.448 54.000 0.094 0.000 1.915 250 D CB -0.672 40.207 40.800 0.131 0.000 0.793 250 D HN 0.155 nan 8.370 nan 0.000 0.499 251 V N 1.892 121.879 119.914 0.122 0.000 2.823 251 V HA 0.650 4.770 4.120 -0.000 0.000 0.312 251 V C 0.414 176.478 176.094 -0.051 0.000 1.072 251 V CA -1.052 61.325 62.300 0.127 0.000 0.937 251 V CB 2.116 34.050 31.823 0.186 0.000 1.013 251 V HN 0.446 nan 8.190 nan 0.000 0.430 252 L N 3.940 125.099 121.223 -0.107 0.000 2.307 252 L HA 0.578 4.918 4.340 -0.000 0.000 0.284 252 L C -0.998 175.679 176.870 -0.321 0.000 1.023 252 L CA -0.602 54.044 54.840 -0.325 0.000 0.810 252 L CB 1.675 43.528 42.059 -0.344 0.000 1.231 252 L HN 0.419 nan 8.230 nan 0.000 0.423 253 L N 4.219 125.147 121.223 -0.492 0.000 2.325 253 L HA 0.580 4.920 4.340 -0.000 0.000 0.281 253 L C -1.229 175.309 176.870 -0.553 0.000 1.004 253 L CA -0.021 54.600 54.840 -0.364 0.000 0.823 253 L CB 1.076 42.991 42.059 -0.240 0.000 1.236 253 L HN 0.195 nan 8.230 nan 0.000 0.415 254 F N 5.928 125.792 119.950 -0.142 0.000 2.467 254 F HA 0.625 5.152 4.527 -0.000 0.000 0.336 254 F C -0.027 175.426 175.800 -0.579 0.000 1.123 254 F CA -0.520 57.317 58.000 -0.272 0.000 0.964 254 F CB 1.481 40.424 39.000 -0.095 0.000 1.136 254 F HN 0.212 nan 8.300 nan 0.000 0.447 255 I N 2.567 122.946 120.570 -0.319 0.000 2.498 255 I HA 0.378 4.548 4.170 -0.000 0.000 0.290 255 I C -1.427 174.502 176.117 -0.313 0.000 1.032 255 I CA -0.542 60.522 61.300 -0.393 0.000 1.073 255 I CB 2.209 40.051 38.000 -0.264 0.000 1.251 255 I HN 0.466 nan 8.210 nan 0.000 0.426 256 D N 5.669 125.871 120.400 -0.330 0.000 2.470 256 D HA 0.219 4.859 4.640 -0.000 0.000 0.233 256 D C -1.495 174.795 176.300 -0.017 0.000 1.372 256 D CA -0.345 53.596 54.000 -0.099 0.000 0.994 256 D CB 1.118 41.938 40.800 0.033 0.000 1.377 256 D HN 0.396 nan 8.370 nan 0.000 0.586 257 N N 4.251 122.966 118.700 0.025 0.000 2.314 257 N HA 0.205 4.945 4.740 -0.000 0.000 0.294 257 N C 0.628 176.168 175.510 0.049 0.000 1.029 257 N CA -0.530 52.549 53.050 0.048 0.000 0.845 257 N CB 1.692 40.263 38.487 0.140 0.000 1.321 257 N HN 0.373 nan 8.380 nan 0.000 0.481 258 I N 3.886 124.461 120.570 0.008 0.000 2.567 258 I HA -0.146 4.024 4.170 -0.000 0.000 0.257 258 I C 1.736 177.924 176.117 0.119 0.000 1.184 258 I CA 0.807 62.113 61.300 0.010 0.000 1.451 258 I CB -0.553 37.397 38.000 -0.084 0.000 1.089 258 I HN 0.619 nan 8.210 nan 0.000 0.441 259 F N 1.618 121.598 119.950 0.051 0.000 2.126 259 F HA -0.271 4.256 4.527 -0.000 0.000 0.299 259 F C 2.378 178.253 175.800 0.126 0.000 1.096 259 F CA 1.592 59.662 58.000 0.116 0.000 1.255 259 F CB -0.470 38.654 39.000 0.206 0.000 0.997 259 F HN -0.016 nan 8.300 nan 0.000 0.479 260 R N 0.199 120.629 120.500 -0.117 0.000 2.154 260 R HA -0.265 4.075 4.340 -0.000 0.000 0.248 260 R C 2.192 178.382 176.300 -0.183 0.000 1.155 260 R CA 1.779 57.755 56.100 -0.205 0.000 0.979 260 R CB -2.074 28.212 30.300 -0.023 0.000 0.869 260 R HN 0.537 nan 8.270 nan 0.000 0.452 261 F N 1.643 121.471 119.950 -0.203 0.000 2.134 261 F HA -0.172 4.355 4.527 -0.000 0.000 0.299 261 F C 2.002 177.700 175.800 -0.170 0.000 1.097 261 F CA 1.728 59.635 58.000 -0.155 0.000 1.264 261 F CB -0.396 38.532 39.000 -0.121 0.000 1.001 261 F HN -0.109 nan 8.300 nan 0.000 0.479 262 T N 0.146 114.487 114.554 -0.355 0.000 2.812 262 T HA -0.212 4.138 4.350 -0.000 0.000 0.264 262 T C 1.910 176.387 174.700 -0.373 0.000 1.042 262 T CA 1.467 63.327 62.100 -0.399 0.000 1.140 262 T CB -0.379 68.399 68.868 -0.150 0.000 0.870 262 T HN 0.448 nan 8.240 nan 0.000 0.445 263 Q N 0.485 119.934 119.800 -0.586 0.000 2.291 263 Q HA -0.014 4.326 4.340 -0.000 0.000 0.205 263 Q C 2.309 178.157 176.000 -0.254 0.000 0.970 263 Q CA 1.084 56.637 55.803 -0.416 0.000 0.876 263 Q CB -0.175 28.181 28.738 -0.637 0.000 0.935 263 Q HN 0.530 nan 8.270 nan 0.000 0.455 264 A N 0.438 123.089 122.820 -0.283 0.000 1.897 264 A HA -0.041 4.279 4.320 -0.000 0.000 0.215 264 A C 2.251 179.717 177.584 -0.197 0.000 1.181 264 A CA 1.394 53.310 52.037 -0.201 0.000 0.620 264 A CB -1.144 17.749 19.000 -0.178 0.000 0.821 264 A HN 0.559 nan 8.150 nan 0.000 0.443 265 G N 0.160 108.786 108.800 -0.290 0.000 2.421 265 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.216 265 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.216 265 G C 2.017 176.841 174.900 -0.127 0.000 1.171 265 G CA 1.960 46.919 45.100 -0.234 0.000 0.775 265 G HN 0.890 nan 8.290 nan 0.000 0.543 266 S N 0.925 116.564 115.700 -0.101 0.000 2.383 266 S HA -0.140 4.330 4.470 -0.000 0.000 0.229 266 S C 1.989 176.548 174.600 -0.069 0.000 1.030 266 S CA 1.820 59.986 58.200 -0.057 0.000 1.002 266 S CB -0.444 62.728 63.200 -0.047 0.000 0.829 266 S HN 0.612 nan 8.310 nan 0.000 0.467 267 E N 0.832 120.986 120.200 -0.077 0.000 2.204 267 E HA -0.063 4.287 4.350 -0.000 0.000 0.194 267 E C 2.117 178.689 176.600 -0.047 0.000 0.989 267 E CA 1.438 57.803 56.400 -0.059 0.000 0.824 267 E CB -0.276 29.389 29.700 -0.057 0.000 0.756 267 E HN 0.761 nan 8.360 nan 0.000 0.477 268 V N -2.754 117.130 119.914 -0.050 0.000 3.621 268 V HA 0.114 4.234 4.120 -0.000 0.000 0.263 268 V C 2.128 178.205 176.094 -0.028 0.000 1.272 268 V CA 0.645 62.924 62.300 -0.034 0.000 1.080 268 V CB 0.654 32.458 31.823 -0.031 0.000 0.816 268 V HN 0.068 nan 8.190 nan 0.000 0.451 269 S N 1.743 117.423 115.700 -0.034 0.000 2.389 269 S HA -0.283 4.187 4.470 -0.000 0.000 0.231 269 S C 2.108 176.699 174.600 -0.014 0.000 1.052 269 S CA 2.550 60.736 58.200 -0.023 0.000 1.053 269 S CB -0.499 62.689 63.200 -0.020 0.000 0.886 269 S HN 1.065 nan 8.310 nan 0.000 0.456 270 A N 1.039 123.849 122.820 -0.017 0.000 1.897 270 A HA 0.164 4.484 4.320 -0.000 0.000 0.215 270 A C 2.129 179.708 177.584 -0.008 0.000 1.181 270 A CA 1.169 53.200 52.037 -0.011 0.000 0.620 270 A CB -0.665 18.327 19.000 -0.014 0.000 0.821 270 A HN 0.581 nan 8.150 nan 0.000 0.443 271 L N -0.568 120.650 121.223 -0.009 0.000 2.450 271 L HA -0.058 4.282 4.340 -0.000 0.000 0.224 271 L C 1.536 178.406 176.870 -0.001 0.000 1.149 271 L CA 0.496 55.333 54.840 -0.005 0.000 0.816 271 L CB -0.346 41.709 42.059 -0.006 0.000 0.932 271 L HN 0.366 nan 8.230 nan 0.000 0.449 272 L N -0.433 120.789 121.223 -0.002 0.000 2.592 272 L HA 0.211 4.551 4.340 -0.000 0.000 0.227 272 L C 1.110 177.982 176.870 0.004 0.000 1.127 272 L CA 0.080 54.921 54.840 0.002 0.000 0.884 272 L CB -0.160 41.898 42.059 -0.001 0.000 1.065 272 L HN 0.347 nan 8.230 nan 0.000 0.457 273 G N 1.604 110.406 108.800 0.003 0.000 2.353 273 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.294 273 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.294 273 G C -0.070 174.833 174.900 0.005 0.000 1.077 273 G CA -0.163 44.939 45.100 0.004 0.000 1.098 273 G HN 0.404 nan 8.290 nan 0.000 0.511 274 R N -0.704 119.798 120.500 0.004 0.000 2.637 274 R HA 0.619 4.959 4.340 -0.000 0.000 0.291 274 R C 0.452 176.757 176.300 0.008 0.000 0.963 274 R CA -1.160 54.944 56.100 0.007 0.000 0.901 274 R CB 1.644 31.948 30.300 0.008 0.000 1.160 274 R HN 0.246 nan 8.270 nan 0.000 0.457 275 I N 4.057 124.634 120.570 0.011 0.000 2.588 275 I HA 0.083 4.253 4.170 -0.000 0.000 0.283 275 I C -1.694 174.433 176.117 0.017 0.000 1.119 275 I CA -1.606 59.701 61.300 0.012 0.000 1.419 275 I CB 0.388 38.396 38.000 0.013 0.000 1.394 275 I HN 0.265 nan 8.210 nan 0.000 0.562 276 P HA 0.094 nan 4.420 nan 0.000 0.275 276 P C -0.345 176.977 177.300 0.037 0.000 1.228 276 P CA -0.270 62.842 63.100 0.020 0.000 0.786 276 P CB 1.197 32.901 31.700 0.007 0.000 0.927 277 S N 1.302 117.039 115.700 0.062 0.000 2.552 277 S HA 0.602 5.072 4.470 -0.000 0.000 0.271 277 S C 0.273 174.927 174.600 0.091 0.000 1.168 277 S CA -0.311 57.936 58.200 0.079 0.000 1.026 277 S CB -0.021 63.241 63.200 0.104 0.000 1.120 277 S HN 0.595 nan 8.310 nan 0.000 0.514 278 A N 0.008 122.894 122.820 0.110 0.000 2.406 278 A HA 0.433 4.753 4.320 -0.000 0.000 0.243 278 A C 1.013 178.700 177.584 0.172 0.000 1.082 278 A CA 0.210 52.315 52.037 0.114 0.000 0.786 278 A CB -0.569 18.493 19.000 0.103 0.000 1.029 278 A HN 1.606 nan 8.150 nan 0.000 0.495 279 V N 0.122 120.112 119.914 0.126 0.000 3.078 279 V HA -0.326 3.794 4.120 -0.000 0.000 0.168 279 V C 1.758 177.808 176.094 -0.072 0.000 0.466 279 V CA 1.839 64.199 62.300 0.101 0.000 1.138 279 V CB -2.559 29.404 31.823 0.234 0.000 1.308 279 V HN 2.883 nan 8.190 nan 0.000 1.101 280 G N -2.890 105.875 108.800 -0.058 0.000 2.179 280 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.260 280 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.260 280 G C -0.100 174.674 174.900 -0.211 0.000 0.977 280 G CA 0.363 45.377 45.100 -0.145 0.000 0.641 280 G HN 0.829 nan 8.290 nan 0.000 0.533 281 Y N 1.934 122.260 120.300 0.042 0.000 2.330 281 Y HA 0.391 4.941 4.550 -0.000 0.000 0.341 281 Y C 1.471 177.380 175.900 0.015 0.000 1.278 281 Y CA 0.099 58.220 58.100 0.034 0.000 1.453 281 Y CB 0.446 38.937 38.460 0.053 0.000 1.342 281 Y HN 0.432 nan 8.280 nan 0.000 0.590 282 Q N 2.827 122.740 119.800 0.188 0.000 2.417 282 Q HA 0.122 4.462 4.340 -0.000 0.000 0.241 282 Q C -2.334 173.724 176.000 0.097 0.000 1.008 282 Q CA -1.734 54.123 55.803 0.091 0.000 0.901 282 Q CB 0.727 29.493 28.738 0.047 0.000 1.259 282 Q HN 0.362 nan 8.270 nan 0.000 0.489 283 P HA -0.045 nan 4.420 nan 0.000 0.229 283 P C 0.892 178.220 177.300 0.047 0.000 1.160 283 P CA 1.200 64.333 63.100 0.055 0.000 0.777 283 P CB -0.017 31.706 31.700 0.038 0.000 0.814 284 T N -4.051 110.527 114.554 0.040 0.000 3.163 284 T HA 0.157 4.507 4.350 -0.000 0.000 0.252 284 T C 1.498 176.223 174.700 0.042 0.000 1.056 284 T CA -0.330 61.792 62.100 0.036 0.000 0.947 284 T CB -0.985 67.898 68.868 0.025 0.000 1.016 284 T HN -0.068 nan 8.240 nan 0.000 0.554 285 L N 1.413 122.663 121.223 0.046 0.000 1.965 285 L HA -0.219 4.121 4.340 -0.000 0.000 0.226 285 L C 2.866 179.772 176.870 0.060 0.000 1.083 285 L CA 2.374 57.235 54.840 0.035 0.000 0.790 285 L CB -0.947 41.118 42.059 0.010 0.000 0.898 285 L HN 0.398 nan 8.230 nan 0.000 0.439 286 A N -0.665 122.192 122.820 0.062 0.000 1.859 286 A HA -0.310 4.010 4.320 -0.000 0.000 0.217 286 A C 2.339 179.988 177.584 0.109 0.000 1.198 286 A CA 3.213 55.304 52.037 0.091 0.000 0.629 286 A CB -1.541 17.502 19.000 0.073 0.000 0.830 286 A HN 0.716 nan 8.150 nan 0.000 0.446 287 T N -1.984 112.619 114.554 0.083 0.000 2.720 287 T HA -0.193 4.156 4.350 -0.000 0.000 0.268 287 T C 1.420 176.179 174.700 0.097 0.000 1.037 287 T CA 1.638 63.786 62.100 0.080 0.000 1.144 287 T CB -0.670 68.232 68.868 0.056 0.000 0.864 287 T HN 0.398 nan 8.240 nan 0.000 0.444 288 D N 0.964 121.431 120.400 0.112 0.000 2.116 288 D HA -0.098 4.542 4.640 -0.000 0.000 0.193 288 D C 1.991 178.449 176.300 0.264 0.000 0.998 288 D CA 1.287 55.395 54.000 0.181 0.000 0.836 288 D CB -0.460 40.415 40.800 0.126 0.000 0.951 288 D HN 0.425 nan 8.370 nan 0.000 0.449 289 M N 0.358 120.093 119.600 0.226 0.000 2.117 289 M HA -0.086 4.394 4.480 -0.000 0.000 0.262 289 M C 2.036 178.304 176.300 -0.053 0.000 1.065 289 M CA 1.997 57.384 55.300 0.146 0.000 1.114 289 M CB -0.233 32.459 32.600 0.152 0.000 1.361 289 M HN 0.030 nan 8.290 nan 0.000 0.408 290 G N -0.271 108.559 108.800 0.050 0.000 2.480 290 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.216 290 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.216 290 G C 1.368 176.257 174.900 -0.018 0.000 1.200 290 G CA 1.691 46.824 45.100 0.054 0.000 0.782 290 G HN 0.594 nan 8.290 nan 0.000 0.554 291 T N -1.569 112.992 114.554 0.012 0.000 2.996 291 T HA -0.038 4.312 4.350 -0.000 0.000 0.271 291 T C 2.111 176.775 174.700 -0.061 0.000 1.126 291 T CA 1.648 63.748 62.100 -0.001 0.000 1.103 291 T CB -0.080 68.808 68.868 0.033 0.000 0.870 291 T HN 0.315 nan 8.240 nan 0.000 0.528 292 M N -0.411 119.107 119.600 -0.135 0.000 2.556 292 M HA 0.092 4.572 4.480 -0.000 0.000 0.259 292 M C 2.332 178.456 176.300 -0.293 0.000 1.175 292 M CA 0.656 55.798 55.300 -0.264 0.000 1.202 292 M CB 0.037 32.328 32.600 -0.515 0.000 1.298 292 M HN 0.000 nan 8.290 nan 0.000 0.492 293 Q N 0.973 120.548 119.800 -0.376 0.000 2.234 293 Q HA -0.175 4.165 4.340 -0.000 0.000 0.206 293 Q C 1.660 177.519 176.000 -0.235 0.000 0.980 293 Q CA 1.344 56.891 55.803 -0.427 0.000 0.869 293 Q CB -0.430 27.722 28.738 -0.976 0.000 0.912 293 Q HN 0.586 nan 8.270 nan 0.000 0.436 294 E N 0.123 120.232 120.200 -0.153 0.000 2.265 294 E HA -0.132 4.218 4.350 -0.000 0.000 0.196 294 E C 1.806 178.375 176.600 -0.052 0.000 0.996 294 E CA 0.585 56.957 56.400 -0.047 0.000 0.832 294 E CB 0.002 29.708 29.700 0.010 0.000 0.756 294 E HN 0.359 nan 8.360 nan 0.000 0.491 295 R N 0.060 120.506 120.500 -0.090 0.000 2.173 295 R HA 0.178 4.518 4.340 -0.000 0.000 0.208 295 R C 1.095 177.339 176.300 -0.092 0.000 1.035 295 R CA 0.121 56.172 56.100 -0.082 0.000 1.004 295 R CB 0.191 30.434 30.300 -0.095 0.000 0.917 295 R HN 0.058 nan 8.270 nan 0.000 0.462 296 I N 2.108 122.605 120.570 -0.122 0.000 2.455 296 I HA -0.003 4.167 4.170 -0.000 0.000 0.303 296 I C -0.038 176.025 176.117 -0.090 0.000 1.180 296 I CA 0.524 61.750 61.300 -0.124 0.000 1.469 296 I CB 0.055 37.957 38.000 -0.164 0.000 1.480 296 I HN -0.003 nan 8.210 nan 0.000 0.669 297 T N 2.834 117.347 114.554 -0.069 0.000 2.886 297 T HA 0.229 4.579 4.350 -0.000 0.000 0.330 297 T C -0.373 174.302 174.700 -0.043 0.000 1.488 297 T CA -0.399 61.672 62.100 -0.049 0.000 1.054 297 T CB 1.590 70.441 68.868 -0.027 0.000 1.348 297 T HN 0.282 nan 8.240 nan 0.000 0.489 298 T N 3.248 117.779 114.554 -0.038 0.000 2.913 298 T HA 0.615 4.965 4.350 -0.000 0.000 0.297 298 T C 0.472 175.153 174.700 -0.031 0.000 1.029 298 T CA -0.184 61.896 62.100 -0.033 0.000 1.104 298 T CB 0.848 69.698 68.868 -0.031 0.000 0.964 298 T HN 0.882 nan 8.240 nan 0.000 0.532 299 T N -0.408 114.128 114.554 -0.030 0.000 2.742 299 T HA 0.472 4.822 4.350 -0.000 0.000 0.282 299 T C 0.895 175.575 174.700 -0.034 0.000 1.025 299 T CA -1.051 61.029 62.100 -0.034 0.000 1.020 299 T CB 1.428 70.277 68.868 -0.032 0.000 1.317 299 T HN 0.388 nan 8.240 nan 0.000 0.538 300 K N 0.110 120.487 120.400 -0.038 0.000 2.217 300 K HA 0.069 4.389 4.320 -0.000 0.000 0.202 300 K C 2.150 178.733 176.600 -0.028 0.000 1.051 300 K CA 0.714 56.980 56.287 -0.035 0.000 0.952 300 K CB -0.033 32.442 32.500 -0.041 0.000 0.736 300 K HN 0.454 nan 8.250 nan 0.000 0.453 301 K N 0.416 120.799 120.400 -0.029 0.000 2.025 301 K HA -0.031 4.289 4.320 -0.000 0.000 0.207 301 K C 1.246 177.833 176.600 -0.022 0.000 1.049 301 K CA 1.137 57.408 56.287 -0.027 0.000 0.933 301 K CB 0.087 32.567 32.500 -0.033 0.000 0.714 301 K HN 0.182 nan 8.250 nan 0.000 0.438 302 G N -0.470 108.319 108.800 -0.019 0.000 2.788 302 G HA2 0.365 4.325 3.960 -0.000 0.000 0.293 302 G HA3 0.365 4.325 3.960 -0.000 0.000 0.293 302 G C -1.610 173.285 174.900 -0.007 0.000 1.392 302 G CA -0.456 44.640 45.100 -0.007 0.000 0.810 302 G HN -0.014 nan 8.290 nan 0.000 0.508 303 S N -0.804 114.898 115.700 0.003 0.000 2.532 303 S HA 0.719 5.189 4.470 -0.000 0.000 0.299 303 S C -0.714 173.879 174.600 -0.012 0.000 1.105 303 S CA -0.663 57.533 58.200 -0.007 0.000 1.018 303 S CB 0.620 63.818 63.200 -0.003 0.000 1.021 303 S HN 0.445 nan 8.310 nan 0.000 0.483 304 I N 3.219 123.767 120.570 -0.038 0.000 2.530 304 I HA 0.399 4.569 4.170 -0.000 0.000 0.297 304 I C -0.347 175.707 176.117 -0.105 0.000 1.011 304 I CA -0.592 60.668 61.300 -0.066 0.000 1.107 304 I CB 2.488 40.446 38.000 -0.071 0.000 1.285 304 I HN 0.501 nan 8.210 nan 0.000 0.436 305 T N 3.255 117.710 114.554 -0.165 0.000 3.064 305 T HA 0.228 4.578 4.350 -0.000 0.000 0.367 305 T C -0.272 174.240 174.700 -0.314 0.000 1.202 305 T CA -0.647 61.330 62.100 -0.206 0.000 1.133 305 T CB 0.500 69.242 68.868 -0.210 0.000 1.074 305 T HN 0.612 nan 8.240 nan 0.000 0.519 306 S N 1.788 117.326 115.700 -0.269 0.000 2.475 306 S HA 0.603 5.073 4.470 -0.000 0.000 0.281 306 S C 0.027 174.446 174.600 -0.301 0.000 1.198 306 S CA -0.812 57.206 58.200 -0.305 0.000 1.063 306 S CB 1.277 64.343 63.200 -0.222 0.000 0.972 306 S HN 0.364 nan 8.310 nan 0.000 0.486 307 V N 4.000 123.719 119.914 -0.324 0.000 2.326 307 V HA 0.345 4.465 4.120 -0.000 0.000 0.281 307 V C -0.358 175.671 176.094 -0.108 0.000 1.015 307 V CA -0.507 61.688 62.300 -0.175 0.000 0.823 307 V CB 0.924 32.766 31.823 0.032 0.000 1.009 307 V HN 0.911 nan 8.190 nan 0.000 0.436 308 Q N 3.089 122.798 119.800 -0.151 0.000 2.316 308 Q HA 0.763 5.103 4.340 -0.000 0.000 0.264 308 Q C -0.136 175.778 176.000 -0.144 0.000 0.987 308 Q CA -0.557 55.152 55.803 -0.156 0.000 0.852 308 Q CB 2.606 31.224 28.738 -0.199 0.000 1.287 308 Q HN 0.825 nan 8.270 nan 0.000 0.448 309 A N 3.308 126.072 122.820 -0.092 0.000 2.363 309 A HA 0.574 4.894 4.320 -0.000 0.000 0.270 309 A C -0.425 177.096 177.584 -0.106 0.000 1.121 309 A CA -0.335 51.665 52.037 -0.061 0.000 0.800 309 A CB 0.194 19.210 19.000 0.027 0.000 1.052 309 A HN 0.749 nan 8.150 nan 0.000 0.493 310 I N 2.661 123.121 120.570 -0.182 0.000 2.448 310 I HA 0.160 4.330 4.170 -0.000 0.000 0.281 310 I C -0.731 175.345 176.117 -0.069 0.000 1.027 310 I CA -0.488 60.673 61.300 -0.232 0.000 1.111 310 I CB 1.155 38.687 38.000 -0.780 0.000 1.236 310 I HN 0.744 nan 8.210 nan 0.000 0.452 311 Y N 7.021 127.285 120.300 -0.060 0.000 2.578 311 Y HA 0.274 4.824 4.550 -0.000 0.000 0.339 311 Y C -0.227 175.495 175.900 -0.296 0.000 1.231 311 Y CA 0.120 58.113 58.100 -0.179 0.000 1.461 311 Y CB 0.853 39.144 38.460 -0.282 0.000 1.323 311 Y HN 0.271 nan 8.280 nan 0.000 0.590 312 V N 8.830 128.122 119.914 -1.035 0.000 2.327 312 V HA 0.261 4.381 4.120 -0.000 0.000 0.272 312 V C -2.276 173.203 176.094 -1.025 0.000 1.019 312 V CA -2.033 59.831 62.300 -0.726 0.000 0.814 312 V CB 0.782 32.440 31.823 -0.274 0.000 1.040 312 V HN 0.711 nan 8.190 nan 0.000 0.440 313 P HA 0.030 nan 4.420 nan 0.000 0.261 313 P C 0.798 177.975 177.300 -0.205 0.000 1.173 313 P CA 1.092 63.923 63.100 -0.449 0.000 0.760 313 P CB 0.629 32.299 31.700 -0.049 0.000 0.783 314 A N 3.486 126.250 122.820 -0.093 0.000 2.799 314 A HA -0.283 4.037 4.320 -0.000 0.000 0.274 314 A C 0.996 178.540 177.584 -0.067 0.000 1.393 314 A CA 1.500 53.516 52.037 -0.036 0.000 0.909 314 A CB -2.533 16.468 19.000 0.001 0.000 1.012 314 A HN 0.578 nan 8.150 nan 0.000 0.653 315 D N -1.948 118.369 120.400 -0.138 0.000 3.079 315 D HA -0.165 4.475 4.640 -0.000 0.000 0.214 315 D C -0.225 176.032 176.300 -0.072 0.000 1.145 315 D CA 1.960 55.897 54.000 -0.105 0.000 0.958 315 D CB -1.160 39.608 40.800 -0.054 0.000 1.117 315 D HN 0.912 nan 8.370 nan 0.000 0.416 316 D N 0.439 120.799 120.400 -0.067 0.000 2.441 316 D HA 0.205 4.845 4.640 -0.000 0.000 0.221 316 D C 1.530 177.824 176.300 -0.009 0.000 1.156 316 D CA -0.347 53.636 54.000 -0.028 0.000 0.896 316 D CB 0.219 41.017 40.800 -0.004 0.000 1.028 316 D HN 0.129 nan 8.370 nan 0.000 0.509 317 L N 2.617 123.838 121.223 -0.003 0.000 2.261 317 L HA -0.177 4.163 4.340 -0.000 0.000 0.216 317 L C 2.343 179.247 176.870 0.058 0.000 1.114 317 L CA 1.564 56.429 54.840 0.042 0.000 0.777 317 L CB -0.289 41.772 42.059 0.003 0.000 0.910 317 L HN 0.495 nan 8.230 nan 0.000 0.440 318 T N -4.622 109.942 114.554 0.016 0.000 3.113 318 T HA -0.083 4.267 4.350 -0.000 0.000 0.256 318 T C 0.844 175.578 174.700 0.057 0.000 1.131 318 T CA -0.324 61.786 62.100 0.017 0.000 1.074 318 T CB -0.359 68.505 68.868 -0.007 0.000 0.944 318 T HN 0.212 nan 8.240 nan 0.000 0.516 319 D N 3.043 123.487 120.400 0.074 0.000 2.583 319 D HA -0.006 4.634 4.640 -0.000 0.000 0.232 319 D C -1.323 175.023 176.300 0.077 0.000 1.128 319 D CA -1.281 52.786 54.000 0.111 0.000 0.859 319 D CB 1.352 42.226 40.800 0.123 0.000 1.169 319 D HN 0.031 nan 8.370 nan 0.000 0.481 320 P HA -0.233 nan 4.420 nan 0.000 0.219 320 P C 0.805 177.990 177.300 -0.192 0.000 1.153 320 P CA 2.099 65.135 63.100 -0.108 0.000 0.865 320 P CB 0.099 31.695 31.700 -0.173 0.000 0.788 321 A N -0.287 122.369 122.820 -0.273 0.000 1.832 321 A HA -0.058 4.262 4.320 -0.000 0.000 0.214 321 A C -0.079 177.580 177.584 0.125 0.000 1.204 321 A CA 1.880 53.872 52.037 -0.076 0.000 0.606 321 A CB -2.083 16.995 19.000 0.130 0.000 0.849 321 A HN 0.199 nan 8.150 nan 0.000 0.445 322 P HA -0.105 nan 4.420 nan 0.000 0.217 322 P C 1.653 179.214 177.300 0.435 0.000 1.150 322 P CA 2.023 65.315 63.100 0.320 0.000 0.832 322 P CB -0.225 31.675 31.700 0.333 0.000 0.787 323 A N -0.184 122.854 122.820 0.363 0.000 1.865 323 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 323 A C 2.306 180.101 177.584 0.351 0.000 1.191 323 A CA 2.709 54.970 52.037 0.373 0.000 0.623 323 A CB -2.032 17.059 19.000 0.152 0.000 0.826 323 A HN 0.197 nan 8.150 nan 0.000 0.444 324 T N -0.176 114.501 114.554 0.205 0.000 2.881 324 T HA -0.086 4.264 4.350 -0.000 0.000 0.270 324 T C 1.852 176.684 174.700 0.221 0.000 1.068 324 T CA 1.772 63.971 62.100 0.165 0.000 1.131 324 T CB -0.435 68.494 68.868 0.103 0.000 0.871 324 T HN 0.604 nan 8.240 nan 0.000 0.479 325 T N 1.604 116.307 114.554 0.247 0.000 2.857 325 T HA 0.040 4.390 4.350 -0.000 0.000 0.266 325 T C 1.521 176.355 174.700 0.223 0.000 1.048 325 T CA 0.623 62.858 62.100 0.224 0.000 1.139 325 T CB -0.503 68.389 68.868 0.039 0.000 0.874 325 T HN 0.315 nan 8.240 nan 0.000 0.455 326 F N 2.316 122.448 119.950 0.305 0.000 2.063 326 F HA -0.227 4.300 4.527 -0.000 0.000 0.298 326 F C 2.771 178.614 175.800 0.073 0.000 1.105 326 F CA 1.271 59.394 58.000 0.205 0.000 1.215 326 F CB -1.022 37.996 39.000 0.031 0.000 0.972 326 F HN 0.154 nan 8.300 nan 0.000 0.483 327 A N -0.925 121.984 122.820 0.148 0.000 1.986 327 A HA -0.236 4.084 4.320 -0.000 0.000 0.220 327 A C 1.844 179.349 177.584 -0.132 0.000 1.171 327 A CA 1.899 53.906 52.037 -0.051 0.000 0.640 327 A CB -1.063 17.822 19.000 -0.192 0.000 0.811 327 A HN 0.539 nan 8.150 nan 0.000 0.451 328 H N -0.966 118.150 119.070 0.077 0.000 2.555 328 H HA 0.208 4.764 4.556 -0.000 0.000 0.269 328 H C 0.322 175.658 175.328 0.013 0.000 0.988 328 H CA 0.466 56.531 56.048 0.028 0.000 1.178 328 H CB -0.228 29.530 29.762 -0.006 0.000 1.373 328 H HN 0.387 nan 8.280 nan 0.000 0.588 329 L N 0.099 121.393 121.223 0.118 0.000 2.358 329 L HA 0.197 4.537 4.340 -0.000 0.000 0.268 329 L C 0.991 177.900 176.870 0.065 0.000 1.032 329 L CA -0.496 54.389 54.840 0.075 0.000 0.805 329 L CB 1.199 43.310 42.059 0.087 0.000 1.253 329 L HN -0.122 nan 8.230 nan 0.000 0.452 330 D N 0.001 120.423 120.400 0.036 0.000 2.454 330 D HA 0.281 4.921 4.640 -0.000 0.000 0.219 330 D C -0.003 176.328 176.300 0.052 0.000 1.081 330 D CA 0.436 54.459 54.000 0.038 0.000 0.867 330 D CB 1.388 42.200 40.800 0.019 0.000 1.054 330 D HN 0.504 nan 8.370 nan 0.000 0.500 331 A N 0.672 123.517 122.820 0.042 0.000 2.520 331 A HA 0.598 4.918 4.320 -0.000 0.000 0.298 331 A C -0.679 176.955 177.584 0.084 0.000 1.051 331 A CA -0.560 51.522 52.037 0.074 0.000 0.690 331 A CB 1.683 20.732 19.000 0.083 0.000 1.281 331 A HN -0.040 nan 8.150 nan 0.000 0.402 332 T N -0.924 113.728 114.554 0.164 0.000 2.928 332 T HA 0.669 5.019 4.350 -0.000 0.000 0.296 332 T C -0.666 174.184 174.700 0.250 0.000 1.000 332 T CA -0.442 61.797 62.100 0.231 0.000 0.989 332 T CB 1.380 70.435 68.868 0.312 0.000 1.005 332 T HN 0.511 nan 8.240 nan 0.000 0.442 333 T N 3.411 118.131 114.554 0.276 0.000 2.853 333 T HA 0.457 4.807 4.350 -0.000 0.000 0.317 333 T C 0.026 174.884 174.700 0.264 0.000 1.059 333 T CA -0.479 61.783 62.100 0.271 0.000 0.954 333 T CB 0.622 69.686 68.868 0.325 0.000 0.994 333 T HN 0.653 nan 8.240 nan 0.000 0.479 334 V N 5.685 125.721 119.914 0.203 0.000 2.406 334 V HA 0.314 4.434 4.120 -0.000 0.000 0.272 334 V C -0.146 176.027 176.094 0.132 0.000 1.043 334 V CA -0.778 61.629 62.300 0.179 0.000 0.915 334 V CB 0.702 32.585 31.823 0.099 0.000 0.988 334 V HN 0.594 nan 8.190 nan 0.000 0.466 335 L N 4.489 125.796 121.223 0.139 0.000 2.357 335 L HA 0.630 4.970 4.340 -0.000 0.000 0.273 335 L C 0.329 177.231 176.870 0.053 0.000 1.080 335 L CA 0.454 55.350 54.840 0.093 0.000 0.803 335 L CB 1.664 43.790 42.059 0.111 0.000 1.174 335 L HN 0.721 nan 8.230 nan 0.000 0.443 336 S N 2.174 117.882 115.700 0.013 0.000 2.594 336 S HA 0.427 4.897 4.470 -0.000 0.000 0.296 336 S C 0.854 175.435 174.600 -0.032 0.000 1.124 336 S CA -0.743 57.451 58.200 -0.009 0.000 1.011 336 S CB 1.148 64.336 63.200 -0.019 0.000 1.016 336 S HN 0.704 nan 8.310 nan 0.000 0.485 337 R N 3.445 123.933 120.500 -0.019 0.000 2.091 337 R HA -0.103 4.237 4.340 -0.000 0.000 0.238 337 R C 2.099 178.374 176.300 -0.040 0.000 1.136 337 R CA 2.017 58.105 56.100 -0.020 0.000 0.959 337 R CB -0.798 29.500 30.300 -0.005 0.000 0.856 337 R HN 0.813 nan 8.270 nan 0.000 0.437 338 A N 1.079 123.876 122.820 -0.038 0.000 1.908 338 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 338 A C 2.156 179.704 177.584 -0.060 0.000 1.181 338 A CA 1.660 53.672 52.037 -0.041 0.000 0.627 338 A CB -0.503 18.476 19.000 -0.036 0.000 0.818 338 A HN 0.390 nan 8.150 nan 0.000 0.445 339 I N -0.486 120.039 120.570 -0.075 0.000 2.163 339 I HA -0.233 3.937 4.170 -0.000 0.000 0.240 339 I C 3.021 179.022 176.117 -0.193 0.000 1.081 339 I CA 0.946 62.183 61.300 -0.105 0.000 1.353 339 I CB -0.500 37.444 38.000 -0.094 0.000 1.054 339 I HN 0.350 nan 8.210 nan 0.000 0.407 340 A N 0.582 123.251 122.820 -0.251 0.000 1.903 340 A HA -0.330 3.990 4.320 -0.000 0.000 0.219 340 A C 2.312 179.744 177.584 -0.254 0.000 1.191 340 A CA 2.293 54.066 52.037 -0.440 0.000 0.638 340 A CB -0.900 17.960 19.000 -0.234 0.000 0.823 340 A HN 0.548 nan 8.150 nan 0.000 0.451 341 E N -0.161 119.975 120.200 -0.107 0.000 2.171 341 E HA -0.201 4.149 4.350 -0.000 0.000 0.197 341 E C 1.659 178.235 176.600 -0.040 0.000 0.997 341 E CA 1.228 57.605 56.400 -0.039 0.000 0.810 341 E CB -0.232 29.454 29.700 -0.022 0.000 0.738 341 E HN 0.684 nan 8.360 nan 0.000 0.467 342 L N -0.830 120.348 121.223 -0.075 0.000 2.478 342 L HA 0.075 4.415 4.340 -0.000 0.000 0.223 342 L C 1.633 178.476 176.870 -0.044 0.000 1.140 342 L CA 0.617 55.422 54.840 -0.058 0.000 0.842 342 L CB -0.101 41.923 42.059 -0.059 0.000 0.953 342 L HN 0.460 nan 8.230 nan 0.000 0.452 343 G N 0.392 109.160 108.800 -0.052 0.000 2.141 343 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.231 343 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.231 343 G C 0.230 175.188 174.900 0.097 0.000 0.984 343 G CA -0.498 44.657 45.100 0.093 0.000 0.660 343 G HN 0.179 nan 8.290 nan 0.000 0.525 344 I N 1.402 121.890 120.570 -0.137 0.000 2.291 344 I HA 0.397 4.567 4.170 -0.000 0.000 0.292 344 I C -0.186 175.709 176.117 -0.370 0.000 1.064 344 I CA -0.364 60.884 61.300 -0.086 0.000 1.269 344 I CB -0.088 37.882 38.000 -0.050 0.000 1.418 344 I HN 0.045 nan 8.210 nan 0.000 0.485 345 Y N 7.248 127.498 120.300 -0.082 0.000 2.429 345 Y HA 0.421 4.971 4.550 -0.000 0.000 0.342 345 Y C -2.060 173.631 175.900 -0.348 0.000 1.004 345 Y CA -2.769 55.205 58.100 -0.211 0.000 1.075 345 Y CB 1.527 39.837 38.460 -0.249 0.000 1.214 345 Y HN 0.400 nan 8.280 nan 0.000 0.455 346 P HA 0.081 nan 4.420 nan 0.000 0.271 346 P C -0.381 176.876 177.300 -0.071 0.000 1.216 346 P CA -0.171 62.847 63.100 -0.137 0.000 0.771 346 P CB 0.873 32.555 31.700 -0.031 0.000 0.864 347 A N 3.707 126.485 122.820 -0.071 0.000 2.478 347 A HA 0.153 4.473 4.320 -0.000 0.000 0.239 347 A C 0.524 178.090 177.584 -0.030 0.000 1.480 347 A CA -0.131 51.822 52.037 -0.140 0.000 1.308 347 A CB -1.261 17.611 19.000 -0.214 0.000 0.899 347 A HN 0.385 nan 8.150 nan 0.000 0.600 348 V N 1.002 120.921 119.914 0.008 0.000 2.637 348 V HA 0.047 4.167 4.120 -0.000 0.000 0.296 348 V C 0.391 176.495 176.094 0.016 0.000 1.046 348 V CA -0.312 62.013 62.300 0.042 0.000 1.066 348 V CB 1.220 33.085 31.823 0.070 0.000 0.968 348 V HN 0.601 nan 8.190 nan 0.000 0.483 349 D N 6.929 127.344 120.400 0.024 0.000 2.380 349 D HA 0.254 4.894 4.640 -0.000 0.000 0.230 349 D C -1.454 174.848 176.300 0.004 0.000 1.154 349 D CA -2.216 51.787 54.000 0.006 0.000 0.859 349 D CB 1.913 42.713 40.800 0.001 0.000 1.045 349 D HN 0.219 nan 8.370 nan 0.000 0.495 350 P HA -0.077 nan 4.420 nan 0.000 0.222 350 P C 0.918 178.199 177.300 -0.032 0.000 1.147 350 P CA 0.836 63.920 63.100 -0.027 0.000 0.790 350 P CB 0.214 31.889 31.700 -0.042 0.000 0.780 351 L N -1.379 119.827 121.223 -0.027 0.000 2.872 351 L HA 0.328 4.668 4.340 -0.000 0.000 0.245 351 L C 0.965 177.813 176.870 -0.038 0.000 1.211 351 L CA 0.310 55.129 54.840 -0.035 0.000 1.013 351 L CB -0.193 41.845 42.059 -0.034 0.000 1.326 351 L HN -0.170 nan 8.230 nan 0.000 0.525 352 D N -1.256 119.128 120.400 -0.025 0.000 2.530 352 D HA 0.096 4.736 4.640 -0.000 0.000 0.253 352 D C 0.062 176.364 176.300 0.003 0.000 1.338 352 D CA 0.193 54.173 54.000 -0.033 0.000 0.806 352 D CB 0.838 41.612 40.800 -0.043 0.000 1.160 352 D HN -0.056 nan 8.370 nan 0.000 0.514 353 S N -0.198 115.516 115.700 0.023 0.000 2.525 353 S HA 0.732 5.202 4.470 -0.000 0.000 0.290 353 S C -0.043 174.589 174.600 0.054 0.000 1.152 353 S CA -0.484 57.757 58.200 0.068 0.000 1.072 353 S CB 1.771 65.019 63.200 0.081 0.000 1.027 353 S HN 0.308 nan 8.310 nan 0.000 0.500 354 T N -1.130 113.477 114.554 0.088 0.000 2.843 354 T HA 0.777 5.127 4.350 -0.000 0.000 0.302 354 T C -0.917 173.841 174.700 0.097 0.000 1.232 354 T CA -0.808 61.333 62.100 0.068 0.000 1.009 354 T CB 1.775 70.672 68.868 0.049 0.000 1.254 354 T HN 0.476 nan 8.240 nan 0.000 0.504 355 S N -0.438 115.306 115.700 0.073 0.000 2.546 355 S HA 0.420 4.890 4.470 -0.000 0.000 0.272 355 S C 0.735 175.371 174.600 0.061 0.000 1.140 355 S CA -0.773 57.477 58.200 0.084 0.000 0.920 355 S CB 1.966 65.222 63.200 0.094 0.000 1.083 355 S HN 0.978 nan 8.310 nan 0.000 0.476 356 R N 3.067 123.604 120.500 0.061 0.000 2.193 356 R HA 0.018 4.358 4.340 -0.000 0.000 0.229 356 R C 1.633 177.960 176.300 0.045 0.000 1.110 356 R CA 2.005 58.135 56.100 0.049 0.000 0.988 356 R CB -0.467 29.859 30.300 0.044 0.000 0.871 356 R HN 0.851 nan 8.270 nan 0.000 0.458 357 I N -1.825 118.770 120.570 0.043 0.000 3.684 357 I HA 0.126 4.296 4.170 -0.000 0.000 0.304 357 I C 0.555 176.685 176.117 0.022 0.000 1.278 357 I CA -0.141 61.178 61.300 0.032 0.000 1.272 357 I CB -0.048 37.971 38.000 0.031 0.000 1.029 357 I HN 0.012 nan 8.210 nan 0.000 0.458 358 M N 3.267 122.883 119.600 0.026 0.000 3.445 358 M HA 0.221 4.701 4.480 -0.000 0.000 0.224 358 M C -0.874 175.543 176.300 0.195 0.000 1.551 358 M CA 0.152 55.471 55.300 0.031 0.000 1.671 358 M CB -1.378 31.207 32.600 -0.024 0.000 1.159 358 M HN 0.249 nan 8.290 nan 0.000 0.547 359 D N 3.642 124.142 120.400 0.166 0.000 2.788 359 D HA 0.421 5.061 4.640 -0.000 0.000 0.247 359 D C -2.236 174.082 176.300 0.029 0.000 1.236 359 D CA -1.827 52.234 54.000 0.101 0.000 0.898 359 D CB 2.178 42.996 40.800 0.030 0.000 1.401 359 D HN 0.101 nan 8.370 nan 0.000 0.549 360 P HA -0.175 nan 4.420 nan 0.000 0.216 360 P C 0.881 178.142 177.300 -0.065 0.000 1.154 360 P CA 1.178 64.170 63.100 -0.179 0.000 0.865 360 P CB 0.203 31.653 31.700 -0.416 0.000 0.789 361 N N -0.922 117.732 118.700 -0.078 0.000 2.519 361 N HA -0.053 4.687 4.740 -0.000 0.000 0.186 361 N C 1.537 177.044 175.510 -0.004 0.000 1.062 361 N CA 0.641 53.669 53.050 -0.036 0.000 0.910 361 N CB -0.085 38.380 38.487 -0.038 0.000 0.958 361 N HN 0.252 nan 8.380 nan 0.000 0.445 362 I N -0.713 119.863 120.570 0.009 0.000 3.443 362 I HA -0.057 4.113 4.170 -0.000 0.000 0.277 362 I C 1.922 178.065 176.117 0.044 0.000 1.169 362 I CA 0.394 61.708 61.300 0.024 0.000 1.419 362 I CB 0.092 38.105 38.000 0.022 0.000 1.331 362 I HN -0.075 nan 8.210 nan 0.000 0.458 363 V N -0.992 118.952 119.914 0.049 0.000 3.590 363 V HA 0.572 4.692 4.120 -0.000 0.000 0.265 363 V C 0.874 177.061 176.094 0.155 0.000 1.239 363 V CA 0.268 62.620 62.300 0.086 0.000 1.117 363 V CB -0.705 31.066 31.823 -0.087 0.000 0.818 363 V HN 0.504 nan 8.190 nan 0.000 0.451 364 G N 0.906 109.774 108.800 0.114 0.000 2.690 364 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.686 364 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.686 364 G C 0.348 175.345 174.900 0.161 0.000 1.277 364 G CA 0.102 45.270 45.100 0.114 0.000 0.799 364 G HN 1.103 nan 8.290 nan 0.000 0.613 365 S N -0.372 115.397 115.700 0.115 0.000 2.399 365 S HA -0.091 4.379 4.470 -0.000 0.000 0.231 365 S C 1.745 176.459 174.600 0.190 0.000 1.022 365 S CA 1.786 60.069 58.200 0.138 0.000 0.983 365 S CB -0.105 63.136 63.200 0.068 0.000 0.803 365 S HN 0.853 nan 8.310 nan 0.000 0.480 366 E N 0.979 121.275 120.200 0.159 0.000 2.047 366 E HA -0.238 4.112 4.350 -0.000 0.000 0.191 366 E C 2.036 178.750 176.600 0.189 0.000 0.987 366 E CA 1.105 57.592 56.400 0.144 0.000 0.799 366 E CB -0.239 29.521 29.700 0.100 0.000 0.752 366 E HN 0.819 nan 8.360 nan 0.000 0.449 367 H N -1.442 117.694 119.070 0.109 0.000 2.293 367 H HA -0.201 4.355 4.556 -0.000 0.000 0.300 367 H C 2.093 177.473 175.328 0.088 0.000 1.082 367 H CA 1.766 57.871 56.048 0.095 0.000 1.308 367 H CB -0.091 29.729 29.762 0.096 0.000 1.375 367 H HN 0.217 nan 8.280 nan 0.000 0.495 368 Y N 1.607 122.021 120.300 0.190 0.000 2.128 368 Y HA -0.264 4.286 4.550 -0.000 0.000 0.284 368 Y C 1.935 177.877 175.900 0.071 0.000 1.154 368 Y CA 2.101 60.243 58.100 0.071 0.000 1.149 368 Y CB -0.254 38.224 38.460 0.029 0.000 0.976 368 Y HN 0.376 nan 8.280 nan 0.000 0.505 369 D N -0.994 119.569 120.400 0.271 0.000 2.178 369 D HA -0.143 4.497 4.640 -0.000 0.000 0.202 369 D C 2.373 178.718 176.300 0.075 0.000 0.974 369 D CA 1.243 55.348 54.000 0.175 0.000 0.841 369 D CB -0.466 40.434 40.800 0.167 0.000 0.953 369 D HN 0.298 nan 8.370 nan 0.000 0.478 370 V N 1.387 121.353 119.914 0.087 0.000 2.270 370 V HA -0.203 3.917 4.120 -0.000 0.000 0.245 370 V C 2.527 178.622 176.094 0.001 0.000 1.043 370 V CA 1.727 64.069 62.300 0.070 0.000 1.014 370 V CB -0.848 31.041 31.823 0.109 0.000 0.645 370 V HN 0.188 nan 8.190 nan 0.000 0.447 371 A N 0.375 123.182 122.820 -0.020 0.000 1.859 371 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 371 A C 2.307 179.793 177.584 -0.163 0.000 1.198 371 A CA 2.010 53.982 52.037 -0.109 0.000 0.629 371 A CB -0.591 18.328 19.000 -0.135 0.000 0.830 371 A HN 0.415 nan 8.150 nan 0.000 0.446 372 R N -0.542 119.822 120.500 -0.227 0.000 2.105 372 R HA -0.122 4.218 4.340 -0.000 0.000 0.239 372 R C 2.332 178.583 176.300 -0.083 0.000 1.135 372 R CA 1.346 57.334 56.100 -0.187 0.000 0.967 372 R CB -1.750 28.422 30.300 -0.214 0.000 0.861 372 R HN 0.572 nan 8.270 nan 0.000 0.442 373 G N 0.399 109.171 108.800 -0.046 0.000 2.418 373 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.217 373 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.217 373 G C 1.575 176.461 174.900 -0.023 0.000 1.158 373 G CA 0.788 45.882 45.100 -0.010 0.000 0.771 373 G HN 0.197 nan 8.290 nan 0.000 0.545 374 V N 0.439 120.319 119.914 -0.057 0.000 2.407 374 V HA -0.220 3.900 4.120 -0.000 0.000 0.248 374 V C 2.882 178.927 176.094 -0.082 0.000 1.055 374 V CA 2.135 64.380 62.300 -0.092 0.000 1.049 374 V CB -0.448 31.232 31.823 -0.238 0.000 0.662 374 V HN 0.440 nan 8.190 nan 0.000 0.455 375 Q N -0.265 119.483 119.800 -0.086 0.000 2.083 375 Q HA -0.207 4.133 4.340 -0.000 0.000 0.198 375 Q C 2.367 178.348 176.000 -0.033 0.000 0.969 375 Q CA 1.513 57.276 55.803 -0.066 0.000 0.838 375 Q CB -0.205 28.483 28.738 -0.084 0.000 0.900 375 Q HN 0.574 nan 8.270 nan 0.000 0.436 376 K N 1.173 121.557 120.400 -0.027 0.000 2.032 376 K HA -0.187 4.133 4.320 -0.000 0.000 0.209 376 K C 2.014 178.620 176.600 0.010 0.000 1.048 376 K CA 1.241 57.524 56.287 -0.007 0.000 0.927 376 K CB -0.212 32.287 32.500 -0.001 0.000 0.712 376 K HN 0.180 nan 8.250 nan 0.000 0.441 377 I N 1.022 121.599 120.570 0.011 0.000 2.286 377 I HA -0.287 3.883 4.170 -0.000 0.000 0.248 377 I C 1.845 178.000 176.117 0.063 0.000 1.115 377 I CA 1.136 62.452 61.300 0.027 0.000 1.392 377 I CB 0.084 38.090 38.000 0.010 0.000 1.065 377 I HN 0.241 nan 8.210 nan 0.000 0.418 378 L N -0.085 121.169 121.223 0.052 0.000 2.109 378 L HA -0.205 4.135 4.340 -0.000 0.000 0.207 378 L C 2.556 179.485 176.870 0.099 0.000 1.086 378 L CA 0.971 55.872 54.840 0.101 0.000 0.760 378 L CB -0.671 41.419 42.059 0.052 0.000 0.910 378 L HN 0.286 nan 8.230 nan 0.000 0.437 379 Q N 0.462 120.287 119.800 0.041 0.000 2.079 379 Q HA -0.198 4.142 4.340 -0.000 0.000 0.200 379 Q C 1.728 177.742 176.000 0.023 0.000 0.974 379 Q CA 1.765 57.577 55.803 0.014 0.000 0.840 379 Q CB -0.135 28.601 28.738 -0.004 0.000 0.898 379 Q HN 0.374 nan 8.270 nan 0.000 0.430 380 D N -0.785 119.642 120.400 0.046 0.000 2.092 380 D HA -0.197 4.443 4.640 -0.000 0.000 0.193 380 D C 1.662 178.014 176.300 0.086 0.000 0.994 380 D CA 1.477 55.509 54.000 0.053 0.000 0.828 380 D CB -0.591 40.241 40.800 0.054 0.000 0.963 380 D HN 0.369 nan 8.370 nan 0.000 0.450 381 Y N 1.661 121.950 120.300 -0.018 0.000 2.224 381 Y HA -0.171 4.379 4.550 -0.000 0.000 0.289 381 Y C 2.234 178.122 175.900 -0.019 0.000 1.146 381 Y CA 1.510 59.599 58.100 -0.018 0.000 1.182 381 Y CB -0.175 38.275 38.460 -0.018 0.000 0.983 381 Y HN -0.169 nan 8.280 nan 0.000 0.524 382 K N -0.281 120.020 120.400 -0.166 0.000 2.032 382 K HA -0.185 4.135 4.320 -0.000 0.000 0.209 382 K C 2.303 178.773 176.600 -0.216 0.000 1.048 382 K CA 1.886 58.018 56.287 -0.259 0.000 0.927 382 K CB -0.289 32.142 32.500 -0.115 0.000 0.712 382 K HN 0.305 nan 8.250 nan 0.000 0.441 383 S N 1.109 116.739 115.700 -0.117 0.000 2.359 383 S HA -0.185 4.285 4.470 -0.000 0.000 0.223 383 S C 1.872 176.414 174.600 -0.096 0.000 1.039 383 S CA 1.556 59.706 58.200 -0.084 0.000 1.042 383 S CB -0.359 62.815 63.200 -0.043 0.000 0.915 383 S HN 0.234 nan 8.310 nan 0.000 0.439 384 L N 1.369 122.537 121.223 -0.092 0.000 2.083 384 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 384 L C 2.650 179.446 176.870 -0.124 0.000 1.083 384 L CA 1.096 55.894 54.840 -0.071 0.000 0.752 384 L CB -0.692 41.371 42.059 0.006 0.000 0.899 384 L HN 0.358 nan 8.230 nan 0.000 0.433 385 Q N 0.175 119.810 119.800 -0.274 0.000 2.007 385 Q HA -0.329 4.011 4.340 -0.000 0.000 0.214 385 Q C 1.849 177.763 176.000 -0.143 0.000 1.031 385 Q CA 2.350 57.977 55.803 -0.293 0.000 0.886 385 Q CB -0.450 28.044 28.738 -0.405 0.000 0.992 385 Q HN 0.496 nan 8.270 nan 0.000 0.415 386 D N -0.070 120.255 120.400 -0.125 0.000 2.182 386 D HA -0.140 4.500 4.640 -0.000 0.000 0.201 386 D C 1.848 178.115 176.300 -0.054 0.000 0.986 386 D CA 1.090 55.043 54.000 -0.079 0.000 0.847 386 D CB -0.161 40.596 40.800 -0.071 0.000 0.942 386 D HN 0.330 nan 8.370 nan 0.000 0.467 387 I N 0.385 120.924 120.570 -0.052 0.000 2.235 387 I HA -0.148 4.022 4.170 -0.000 0.000 0.241 387 I C 2.370 178.475 176.117 -0.020 0.000 1.085 387 I CA 0.511 61.791 61.300 -0.032 0.000 1.378 387 I CB -0.057 37.926 38.000 -0.027 0.000 1.076 387 I HN -0.122 nan 8.210 nan 0.000 0.415 388 I N 1.036 121.597 120.570 -0.016 0.000 2.361 388 I HA -0.289 3.881 4.170 -0.000 0.000 0.251 388 I C 2.790 178.906 176.117 -0.002 0.000 1.133 388 I CA 1.106 62.406 61.300 0.001 0.000 1.413 388 I CB -0.574 37.438 38.000 0.020 0.000 1.073 388 I HN 0.193 nan 8.210 nan 0.000 0.424 389 A N 1.141 123.953 122.820 -0.013 0.000 1.915 389 A HA -0.247 4.073 4.320 -0.000 0.000 0.220 389 A C 2.117 179.696 177.584 -0.010 0.000 1.198 389 A CA 2.297 54.326 52.037 -0.014 0.000 0.647 389 A CB -0.654 18.329 19.000 -0.028 0.000 0.825 389 A HN 0.385 nan 8.150 nan 0.000 0.456 390 I N -1.276 119.287 120.570 -0.012 0.000 2.681 390 I HA 0.030 4.199 4.170 -0.000 0.000 0.247 390 I C 1.974 178.088 176.117 -0.005 0.000 1.091 390 I CA 0.611 61.906 61.300 -0.009 0.000 1.442 390 I CB -0.461 37.533 38.000 -0.011 0.000 1.219 390 I HN 0.171 nan 8.210 nan 0.000 0.451 391 L N 0.666 121.885 121.223 -0.005 0.000 2.549 391 L HA 0.185 4.525 4.340 -0.000 0.000 0.229 391 L C 1.115 177.986 176.870 0.001 0.000 1.158 391 L CA 0.393 55.232 54.840 -0.002 0.000 0.842 391 L CB -1.551 40.506 42.059 -0.003 0.000 0.952 391 L HN 0.504 nan 8.230 nan 0.000 0.452 392 G N -0.193 108.609 108.800 0.003 0.000 2.760 392 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.246 392 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.246 392 G C 0.020 174.927 174.900 0.012 0.000 1.359 392 G CA 0.126 45.231 45.100 0.007 0.000 0.861 392 G HN 0.071 nan 8.290 nan 0.000 0.541 393 M N -0.526 119.083 119.600 0.015 0.000 2.514 393 M HA 0.157 4.637 4.480 -0.000 0.000 0.258 393 M C 1.903 178.212 176.300 0.015 0.000 1.159 393 M CA 1.045 56.356 55.300 0.019 0.000 1.116 393 M CB -0.037 32.578 32.600 0.024 0.000 1.333 393 M HN 0.602 nan 8.290 nan 0.000 0.487 394 D N 1.175 121.582 120.400 0.012 0.000 2.137 394 D HA -0.230 4.410 4.640 -0.000 0.000 0.189 394 D C 1.506 177.811 176.300 0.010 0.000 0.998 394 D CA 1.421 55.427 54.000 0.010 0.000 0.839 394 D CB -0.496 40.309 40.800 0.008 0.000 0.962 394 D HN 0.323 nan 8.370 nan 0.000 0.446 395 E N 0.213 120.418 120.200 0.008 0.000 2.448 395 E HA -0.087 4.263 4.350 -0.000 0.000 0.203 395 E C 0.739 177.345 176.600 0.009 0.000 1.046 395 E CA 0.049 56.453 56.400 0.007 0.000 0.871 395 E CB -0.201 29.502 29.700 0.005 0.000 0.790 395 E HN 0.400 nan 8.360 nan 0.000 0.545 396 L N 2.081 123.311 121.223 0.012 0.000 2.416 396 L HA 0.013 4.353 4.340 -0.000 0.000 0.272 396 L C 0.573 177.451 176.870 0.013 0.000 1.161 396 L CA -0.262 54.586 54.840 0.014 0.000 0.845 396 L CB 0.704 42.775 42.059 0.021 0.000 1.119 396 L HN -0.005 nan 8.230 nan 0.000 0.464 397 S N 2.141 117.848 115.700 0.012 0.000 2.560 397 S HA 0.039 4.509 4.470 -0.000 0.000 0.284 397 S C 0.898 175.505 174.600 0.011 0.000 1.327 397 S CA -0.859 57.347 58.200 0.011 0.000 1.055 397 S CB 1.106 64.312 63.200 0.010 0.000 0.868 397 S HN 0.542 nan 8.310 nan 0.000 0.506 398 E N 1.811 122.016 120.200 0.010 0.000 2.219 398 E HA -0.182 4.168 4.350 -0.000 0.000 0.198 398 E C 1.678 178.283 176.600 0.009 0.000 0.998 398 E CA 1.077 57.482 56.400 0.009 0.000 0.818 398 E CB -0.258 29.447 29.700 0.008 0.000 0.741 398 E HN 0.757 nan 8.360 nan 0.000 0.477 399 E N 0.626 120.831 120.200 0.009 0.000 2.077 399 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 399 E C 1.459 178.066 176.600 0.012 0.000 0.989 399 E CA 1.199 57.605 56.400 0.009 0.000 0.800 399 E CB -0.117 29.589 29.700 0.009 0.000 0.746 399 E HN 0.325 nan 8.360 nan 0.000 0.452 400 D N 0.006 120.415 120.400 0.015 0.000 2.234 400 D HA -0.080 4.560 4.640 -0.000 0.000 0.205 400 D C 1.574 177.889 176.300 0.025 0.000 0.962 400 D CA 0.768 54.781 54.000 0.023 0.000 0.855 400 D CB 0.166 40.980 40.800 0.025 0.000 0.951 400 D HN 0.149 nan 8.370 nan 0.000 0.500 401 K N 0.088 120.499 120.400 0.018 0.000 2.487 401 K HA 0.052 4.372 4.320 -0.000 0.000 0.192 401 K C 1.308 177.908 176.600 -0.001 0.000 1.027 401 K CA 0.244 56.540 56.287 0.014 0.000 1.054 401 K CB 0.379 32.887 32.500 0.015 0.000 0.824 401 K HN 0.142 nan 8.250 nan 0.000 0.510 402 L N 1.866 123.087 121.223 -0.003 0.000 2.357 402 L HA 0.006 4.346 4.340 -0.000 0.000 0.211 402 L C 2.330 179.182 176.870 -0.030 0.000 1.075 402 L CA 1.307 56.139 54.840 -0.014 0.000 0.830 402 L CB 0.057 42.113 42.059 -0.005 0.000 0.996 402 L HN 0.331 nan 8.230 nan 0.000 0.467 403 T N -3.886 110.658 114.554 -0.016 0.000 2.985 403 T HA -0.068 4.282 4.350 -0.000 0.000 0.266 403 T C 1.765 176.425 174.700 -0.068 0.000 1.076 403 T CA 1.286 63.371 62.100 -0.024 0.000 1.135 403 T CB -0.634 68.242 68.868 0.013 0.000 0.890 403 T HN 0.065 nan 8.240 nan 0.000 0.480 404 V N 1.921 121.809 119.914 -0.045 0.000 2.343 404 V HA -0.146 3.974 4.120 -0.000 0.000 0.247 404 V C 3.044 178.997 176.094 -0.235 0.000 1.051 404 V CA 1.961 64.195 62.300 -0.111 0.000 1.036 404 V CB -1.013 30.820 31.823 0.017 0.000 0.654 404 V HN 0.531 nan 8.190 nan 0.000 0.451 405 S N 0.196 115.814 115.700 -0.137 0.000 2.349 405 S HA -0.199 4.271 4.470 -0.000 0.000 0.216 405 S C 2.052 176.536 174.600 -0.194 0.000 1.033 405 S CA 1.602 59.719 58.200 -0.139 0.000 1.021 405 S CB -0.416 62.736 63.200 -0.079 0.000 0.968 405 S HN 0.523 nan 8.310 nan 0.000 0.426 406 R N 1.506 121.910 120.500 -0.159 0.000 2.119 406 R HA -0.151 4.189 4.340 -0.000 0.000 0.246 406 R C 2.547 178.729 176.300 -0.196 0.000 1.146 406 R CA 1.386 57.385 56.100 -0.168 0.000 0.962 406 R CB -0.746 29.497 30.300 -0.096 0.000 0.863 406 R HN 0.443 nan 8.270 nan 0.000 0.442 407 A N 1.673 124.354 122.820 -0.231 0.000 1.858 407 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 407 A C 2.155 179.542 177.584 -0.328 0.000 1.190 407 A CA 1.364 53.236 52.037 -0.275 0.000 0.617 407 A CB -0.460 18.298 19.000 -0.403 0.000 0.827 407 A HN 0.260 nan 8.150 nan 0.000 0.443 408 R N -0.021 120.206 120.500 -0.454 0.000 2.117 408 R HA -0.165 4.175 4.340 -0.000 0.000 0.243 408 R C 2.145 178.328 176.300 -0.196 0.000 1.143 408 R CA 1.676 57.583 56.100 -0.322 0.000 0.968 408 R CB -0.364 29.770 30.300 -0.277 0.000 0.863 408 R HN 0.574 nan 8.270 nan 0.000 0.444 409 K N 0.598 120.835 120.400 -0.273 0.000 2.007 409 K HA -0.039 4.281 4.320 -0.000 0.000 0.206 409 K C 2.224 178.676 176.600 -0.248 0.000 1.047 409 K CA 1.110 57.136 56.287 -0.436 0.000 0.937 409 K CB -0.184 31.784 32.500 -0.886 0.000 0.718 409 K HN 0.114 nan 8.250 nan 0.000 0.438 410 I N 1.712 122.214 120.570 -0.114 0.000 2.151 410 I HA -0.357 3.813 4.170 -0.000 0.000 0.243 410 I C 2.706 178.975 176.117 0.253 0.000 1.080 410 I CA 1.563 62.992 61.300 0.215 0.000 1.339 410 I CB -0.544 37.572 38.000 0.194 0.000 1.039 410 I HN 0.345 nan 8.210 nan 0.000 0.409 411 Q N 0.461 120.316 119.800 0.092 0.000 2.173 411 Q HA -0.250 4.090 4.340 -0.000 0.000 0.208 411 Q C 2.334 178.418 176.000 0.139 0.000 0.989 411 Q CA 1.863 57.718 55.803 0.087 0.000 0.872 411 Q CB 0.056 28.809 28.738 0.026 0.000 0.909 411 Q HN 0.470 nan 8.270 nan 0.000 0.420 412 R N -1.344 119.257 120.500 0.169 0.000 2.075 412 R HA -0.032 4.308 4.340 -0.000 0.000 0.220 412 R C 1.977 178.465 176.300 0.313 0.000 1.118 412 R CA 0.800 57.058 56.100 0.264 0.000 0.986 412 R CB -0.302 30.173 30.300 0.291 0.000 0.884 412 R HN 0.187 nan 8.270 nan 0.000 0.439 413 F N 1.791 121.838 119.950 0.162 0.000 2.373 413 F HA -0.084 4.443 4.527 -0.000 0.000 0.300 413 F C 1.634 177.575 175.800 0.234 0.000 1.080 413 F CA 1.060 59.129 58.000 0.115 0.000 1.417 413 F CB -0.039 38.881 39.000 -0.133 0.000 1.070 413 F HN -0.057 nan 8.300 nan 0.000 0.546 414 L N -0.618 120.786 121.223 0.302 0.000 2.240 414 L HA -0.067 4.273 4.340 -0.000 0.000 0.211 414 L C 1.637 178.522 176.870 0.025 0.000 1.106 414 L CA 0.432 55.390 54.840 0.196 0.000 0.793 414 L CB -0.756 41.389 42.059 0.144 0.000 0.927 414 L HN 0.093 nan 8.230 nan 0.000 0.446 415 S N -0.387 115.323 115.700 0.017 0.000 2.606 415 S HA 0.252 4.722 4.470 -0.000 0.000 0.257 415 S C -0.217 174.297 174.600 -0.143 0.000 1.327 415 S CA -0.456 57.707 58.200 -0.062 0.000 0.984 415 S CB 1.471 64.645 63.200 -0.043 0.000 0.941 415 S HN 0.290 nan 8.310 nan 0.000 0.576 416 Q N -0.199 119.486 119.800 -0.192 0.000 2.541 416 Q HA 0.321 4.661 4.340 -0.000 0.000 0.259 416 Q C -3.227 172.659 176.000 -0.190 0.000 0.974 416 Q CA -1.522 54.187 55.803 -0.157 0.000 0.955 416 Q CB 2.093 30.815 28.738 -0.026 0.000 1.517 416 Q HN 0.511 nan 8.270 nan 0.000 0.412 417 P HA 0.230 nan 4.420 nan 0.000 0.286 417 P C -0.863 176.529 177.300 0.153 0.000 1.321 417 P CA -0.142 62.918 63.100 -0.066 0.000 0.790 417 P CB 0.067 31.741 31.700 -0.043 0.000 0.897 418 F N 1.875 121.830 119.950 0.008 0.000 2.450 418 F HA 0.153 4.680 4.527 -0.000 0.000 0.339 418 F C 2.202 178.016 175.800 0.023 0.000 1.146 418 F CA -0.583 57.432 58.000 0.025 0.000 1.267 418 F CB 0.325 39.355 39.000 0.051 0.000 1.178 418 F HN 0.388 nan 8.300 nan 0.000 0.585 419 Q N 0.925 120.834 119.800 0.181 0.000 2.172 419 Q HA -0.044 4.296 4.340 -0.000 0.000 0.200 419 Q C 1.174 177.216 176.000 0.070 0.000 0.964 419 Q CA 1.061 56.912 55.803 0.080 0.000 0.855 419 Q CB 0.082 28.828 28.738 0.015 0.000 0.918 419 Q HN 0.517 nan 8.270 nan 0.000 0.444 420 V N 0.187 120.165 119.914 0.107 0.000 3.623 420 V HA 0.141 4.261 4.120 -0.000 0.000 0.271 420 V C 0.955 177.152 176.094 0.173 0.000 1.248 420 V CA 0.976 63.339 62.300 0.104 0.000 1.156 420 V CB 0.382 32.261 31.823 0.093 0.000 0.870 420 V HN 0.389 nan 8.190 nan 0.000 0.453 421 A N -0.939 122.014 122.820 0.222 0.000 2.631 421 A HA 0.323 4.643 4.320 -0.000 0.000 0.294 421 A C 1.449 179.065 177.584 0.054 0.000 1.156 421 A CA -0.239 51.986 52.037 0.312 0.000 0.963 421 A CB -0.024 19.256 19.000 0.468 0.000 1.202 421 A HN 0.431 nan 8.150 nan 0.000 0.523 422 E N -0.083 120.087 120.200 -0.051 0.000 2.110 422 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 422 E C 1.685 178.181 176.600 -0.173 0.000 0.988 422 E CA 1.591 57.955 56.400 -0.061 0.000 0.804 422 E CB -0.181 29.491 29.700 -0.047 0.000 0.745 422 E HN 0.541 nan 8.360 nan 0.000 0.458 423 V N 0.051 119.717 119.914 -0.414 0.000 2.867 423 V HA -0.210 3.910 4.120 -0.000 0.000 0.260 423 V C 1.549 177.355 176.094 -0.479 0.000 1.099 423 V CA 1.395 63.387 62.300 -0.514 0.000 1.122 423 V CB -0.758 30.595 31.823 -0.783 0.000 0.708 423 V HN 0.121 nan 8.190 nan 0.000 0.490 424 F N 1.456 121.395 119.950 -0.020 0.000 2.315 424 F HA 0.079 4.606 4.527 -0.000 0.000 0.284 424 F C 2.727 178.512 175.800 -0.025 0.000 1.049 424 F CA 1.151 59.120 58.000 -0.051 0.000 1.323 424 F CB -1.414 37.506 39.000 -0.133 0.000 1.113 424 F HN 0.200 nan 8.300 nan 0.000 0.544 425 T N -2.871 111.785 114.554 0.170 0.000 3.035 425 T HA 0.309 4.659 4.350 -0.000 0.000 0.259 425 T C 1.766 176.645 174.700 0.298 0.000 1.078 425 T CA 0.732 62.939 62.100 0.178 0.000 1.132 425 T CB -0.454 68.466 68.868 0.086 0.000 0.900 425 T HN 0.531 nan 8.240 nan 0.000 0.480 426 G N 1.273 110.171 108.800 0.164 0.000 2.182 426 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.248 426 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.248 426 G C -0.327 174.563 174.900 -0.017 0.000 1.042 426 G CA 0.155 45.293 45.100 0.063 0.000 0.775 426 G HN 0.863 nan 8.290 nan 0.000 0.501 427 H N -1.913 117.148 119.070 -0.015 0.000 2.894 427 H HA 0.582 5.138 4.556 -0.000 0.000 0.367 427 H C -0.114 175.207 175.328 -0.012 0.000 1.144 427 H CA -0.912 55.125 56.048 -0.018 0.000 1.180 427 H CB 1.492 31.235 29.762 -0.033 0.000 1.758 427 H HN 0.220 nan 8.280 nan 0.000 0.541 428 L N 2.150 123.432 121.223 0.099 0.000 2.477 428 L HA 0.296 4.636 4.340 -0.000 0.000 0.272 428 L C 0.907 177.822 176.870 0.075 0.000 1.157 428 L CA 0.330 55.206 54.840 0.058 0.000 0.889 428 L CB 0.176 42.252 42.059 0.028 0.000 1.158 428 L HN 0.887 nan 8.230 nan 0.000 0.473 429 G N 4.752 113.594 108.800 0.071 0.000 2.353 429 G HA2 0.138 4.098 3.960 -0.000 0.000 0.239 429 G HA3 0.138 4.098 3.960 -0.000 0.000 0.239 429 G C -0.395 174.543 174.900 0.064 0.000 1.295 429 G CA -0.492 44.662 45.100 0.089 0.000 0.884 429 G HN 0.473 nan 8.290 nan 0.000 0.537 430 K N 1.161 121.604 120.400 0.073 0.000 2.221 430 K HA 0.406 4.726 4.320 -0.000 0.000 0.258 430 K C -1.138 175.489 176.600 0.046 0.000 0.944 430 K CA -1.059 55.255 56.287 0.045 0.000 0.823 430 K CB 2.513 35.029 32.500 0.028 0.000 1.113 430 K HN 0.297 nan 8.250 nan 0.000 0.431 431 L N 3.433 124.669 121.223 0.020 0.000 2.318 431 L HA 0.306 4.646 4.340 -0.000 0.000 0.277 431 L C -1.152 175.721 176.870 0.006 0.000 1.008 431 L CA -0.736 54.108 54.840 0.006 0.000 0.846 431 L CB 1.378 43.434 42.059 -0.006 0.000 1.220 431 L HN 0.269 nan 8.230 nan 0.000 0.423 432 V N 7.239 127.155 119.914 0.004 0.000 2.465 432 V HA 0.528 4.648 4.120 -0.000 0.000 0.279 432 V C -1.942 174.157 176.094 0.009 0.000 1.045 432 V CA -1.378 60.926 62.300 0.005 0.000 0.938 432 V CB 1.253 33.072 31.823 -0.007 0.000 0.986 432 V HN 0.673 nan 8.190 nan 0.000 0.467 433 P HA 0.168 nan 4.420 nan 0.000 0.278 433 P C 0.722 178.032 177.300 0.017 0.000 1.238 433 P CA -0.501 62.608 63.100 0.015 0.000 0.794 433 P CB 1.146 32.856 31.700 0.017 0.000 0.955 434 L N 3.517 124.746 121.223 0.009 0.000 2.034 434 L HA -0.250 4.090 4.340 -0.000 0.000 0.217 434 L C 2.014 178.871 176.870 -0.021 0.000 1.077 434 L CA 2.173 57.008 54.840 -0.010 0.000 0.769 434 L CB -1.215 40.842 42.059 -0.004 0.000 0.890 434 L HN 0.373 nan 8.230 nan 0.000 0.435 435 K N -1.138 119.262 120.400 -0.001 0.000 2.217 435 K HA -0.110 4.210 4.320 -0.000 0.000 0.202 435 K C 1.862 178.483 176.600 0.035 0.000 1.051 435 K CA 0.979 57.272 56.287 0.009 0.000 0.952 435 K CB -0.095 32.415 32.500 0.017 0.000 0.736 435 K HN 0.322 nan 8.250 nan 0.000 0.453 436 E N 0.394 120.621 120.200 0.045 0.000 2.150 436 E HA -0.096 4.254 4.350 -0.000 0.000 0.193 436 E C 1.953 178.622 176.600 0.115 0.000 0.985 436 E CA 1.110 57.552 56.400 0.070 0.000 0.814 436 E CB -0.272 29.464 29.700 0.061 0.000 0.752 436 E HN 0.214 nan 8.360 nan 0.000 0.466 437 T N 1.633 116.253 114.554 0.110 0.000 2.639 437 T HA -0.050 4.300 4.350 -0.000 0.000 0.261 437 T C 2.141 177.002 174.700 0.269 0.000 1.053 437 T CA 1.018 63.235 62.100 0.195 0.000 1.158 437 T CB -0.298 68.657 68.868 0.146 0.000 0.863 437 T HN 0.087 nan 8.240 nan 0.000 0.413 438 I N 1.373 122.015 120.570 0.121 0.000 2.145 438 I HA -0.284 3.886 4.170 -0.000 0.000 0.244 438 I C 2.621 178.829 176.117 0.152 0.000 1.075 438 I CA 1.639 62.995 61.300 0.094 0.000 1.332 438 I CB -0.461 37.505 38.000 -0.055 0.000 1.033 438 I HN 0.265 nan 8.210 nan 0.000 0.410 439 K N 1.414 121.883 120.400 0.115 0.000 2.002 439 K HA -0.160 4.160 4.320 -0.000 0.000 0.209 439 K C 2.211 178.874 176.600 0.105 0.000 1.048 439 K CA 1.820 58.167 56.287 0.100 0.000 0.930 439 K CB -0.584 31.962 32.500 0.076 0.000 0.714 439 K HN 0.338 nan 8.250 nan 0.000 0.438 440 G N 0.514 109.371 108.800 0.094 0.000 2.469 440 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.219 440 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.219 440 G C 1.268 176.071 174.900 -0.162 0.000 1.150 440 G CA 0.900 45.953 45.100 -0.078 0.000 0.763 440 G HN 0.291 nan 8.290 nan 0.000 0.561 441 F N 0.466 120.520 119.950 0.174 0.000 2.113 441 F HA 0.005 4.532 4.527 -0.000 0.000 0.297 441 F C 2.921 178.765 175.800 0.074 0.000 1.103 441 F CA 1.511 59.591 58.000 0.134 0.000 1.248 441 F CB -0.741 38.357 39.000 0.164 0.000 0.999 441 F HN 0.158 nan 8.300 nan 0.000 0.475 442 Q N 0.188 120.135 119.800 0.244 0.000 2.118 442 Q HA -0.319 4.021 4.340 -0.000 0.000 0.211 442 Q C 2.183 178.248 176.000 0.109 0.000 0.998 442 Q CA 2.444 58.337 55.803 0.150 0.000 0.872 442 Q CB -0.177 28.632 28.738 0.118 0.000 0.925 442 Q HN 0.509 nan 8.270 nan 0.000 0.414 443 Q N -0.240 119.624 119.800 0.107 0.000 2.020 443 Q HA -0.156 4.184 4.340 -0.000 0.000 0.202 443 Q C 2.203 178.268 176.000 0.107 0.000 0.982 443 Q CA 1.700 57.560 55.803 0.096 0.000 0.838 443 Q CB -0.177 28.681 28.738 0.200 0.000 0.899 443 Q HN 0.500 nan 8.270 nan 0.000 0.423 444 I N 0.722 121.370 120.570 0.132 0.000 2.208 444 I HA -0.315 3.855 4.170 -0.000 0.000 0.245 444 I C 2.302 178.448 176.117 0.048 0.000 1.097 444 I CA 1.173 62.523 61.300 0.083 0.000 1.363 444 I CB -0.461 37.499 38.000 -0.065 0.000 1.051 444 I HN 0.229 nan 8.210 nan 0.000 0.413 445 L N 0.822 122.092 121.223 0.079 0.000 2.083 445 L HA -0.184 4.156 4.340 -0.000 0.000 0.209 445 L C 2.634 179.525 176.870 0.034 0.000 1.083 445 L CA 1.287 56.163 54.840 0.059 0.000 0.752 445 L CB -0.503 41.606 42.059 0.082 0.000 0.899 445 L HN 0.265 nan 8.230 nan 0.000 0.433 446 A N -0.631 122.208 122.820 0.032 0.000 2.239 446 A HA 0.149 4.469 4.320 -0.000 0.000 0.209 446 A C 1.755 179.332 177.584 -0.011 0.000 1.171 446 A CA 0.857 52.899 52.037 0.009 0.000 0.768 446 A CB -0.689 18.313 19.000 0.003 0.000 0.790 446 A HN 0.590 nan 8.150 nan 0.000 0.478 447 G N -0.590 108.205 108.800 -0.008 0.000 2.184 447 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.264 447 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.264 447 G C 0.432 175.306 174.900 -0.043 0.000 0.975 447 G CA 0.541 45.633 45.100 -0.013 0.000 0.642 447 G HN 0.662 nan 8.290 nan 0.000 0.536 448 E N -0.945 119.181 120.200 -0.125 0.000 2.533 448 E HA 0.081 4.431 4.350 -0.000 0.000 0.201 448 E C 0.463 176.690 176.600 -0.622 0.000 1.097 448 E CA 0.676 56.869 56.400 -0.345 0.000 0.887 448 E CB -0.066 29.343 29.700 -0.485 0.000 0.855 448 E HN 0.772 nan 8.360 nan 0.000 0.540 449 Y N -1.291 119.024 120.300 0.025 0.000 2.888 449 Y HA 0.106 4.656 4.550 -0.000 0.000 0.260 449 Y C 0.736 176.552 175.900 -0.141 0.000 1.113 449 Y CA -0.731 57.300 58.100 -0.114 0.000 1.237 449 Y CB 0.526 39.013 38.460 0.046 0.000 1.307 449 Y HN -0.085 nan 8.280 nan 0.000 0.580 450 D N 0.501 120.948 120.400 0.078 0.000 2.389 450 D HA -0.164 4.476 4.640 -0.000 0.000 0.221 450 D C 1.873 178.229 176.300 0.094 0.000 0.974 450 D CA 1.440 55.480 54.000 0.067 0.000 0.923 450 D CB 0.082 40.919 40.800 0.061 0.000 0.892 450 D HN 0.650 nan 8.370 nan 0.000 0.518 451 H N -0.354 118.784 119.070 0.113 0.000 2.399 451 H HA 0.068 4.624 4.556 -0.000 0.000 0.300 451 H C 1.220 176.622 175.328 0.123 0.000 1.048 451 H CA -0.080 56.024 56.048 0.093 0.000 1.370 451 H CB -0.580 29.219 29.762 0.061 0.000 1.428 451 H HN 0.025 nan 8.280 nan 0.000 0.534 452 L N 2.474 123.509 121.223 -0.314 0.000 2.482 452 L HA 0.255 4.595 4.340 -0.000 0.000 0.273 452 L C -2.224 174.714 176.870 0.114 0.000 1.228 452 L CA -2.011 52.783 54.840 -0.076 0.000 0.827 452 L CB -0.332 41.596 42.059 -0.219 0.000 1.099 452 L HN 0.064 nan 8.230 nan 0.000 0.494 453 P HA 0.179 nan 4.420 nan 0.000 0.281 453 P C -0.080 177.375 177.300 0.258 0.000 1.249 453 P CA -0.522 62.655 63.100 0.128 0.000 0.810 453 P CB 0.980 32.721 31.700 0.068 0.000 1.008 454 E N 0.583 120.912 120.200 0.215 0.000 2.048 454 E HA -0.277 4.073 4.350 -0.000 0.000 0.202 454 E C 1.869 178.662 176.600 0.322 0.000 1.021 454 E CA 1.326 57.881 56.400 0.259 0.000 0.825 454 E CB -0.346 29.403 29.700 0.082 0.000 0.756 454 E HN 0.451 nan 8.360 nan 0.000 0.454 455 Q N -0.104 119.796 119.800 0.166 0.000 2.242 455 Q HA -0.248 4.092 4.340 -0.000 0.000 0.211 455 Q C 2.145 178.239 176.000 0.158 0.000 0.992 455 Q CA 1.664 57.556 55.803 0.147 0.000 0.889 455 Q CB -0.531 28.259 28.738 0.086 0.000 0.913 455 Q HN 0.362 nan 8.270 nan 0.000 0.422 456 A N -0.567 122.290 122.820 0.062 0.000 2.019 456 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 456 A C 1.720 179.186 177.584 -0.195 0.000 1.164 456 A CA 1.153 53.112 52.037 -0.131 0.000 0.644 456 A CB -0.689 18.110 19.000 -0.334 0.000 0.805 456 A HN 0.334 nan 8.150 nan 0.000 0.449 457 F N -2.362 117.611 119.950 0.037 0.000 2.615 457 F HA 0.123 4.650 4.527 -0.000 0.000 0.297 457 F C 0.960 176.869 175.800 0.181 0.000 1.124 457 F CA -0.044 58.008 58.000 0.086 0.000 1.451 457 F CB -0.430 38.600 39.000 0.050 0.000 1.103 457 F HN 0.280 nan 8.300 nan 0.000 0.569 458 Y N 1.712 122.118 120.300 0.178 0.000 2.425 458 Y HA 0.180 4.730 4.550 -0.000 0.000 0.331 458 Y C 0.720 176.639 175.900 0.031 0.000 1.157 458 Y CA -1.394 56.763 58.100 0.096 0.000 1.372 458 Y CB 0.208 38.711 38.460 0.071 0.000 1.253 458 Y HN 0.014 nan 8.280 nan 0.000 0.536 459 M N 5.999 125.203 119.600 -0.660 0.000 2.787 459 M HA -0.165 4.315 4.480 -0.000 0.000 0.176 459 M C -1.066 175.071 176.300 -0.273 0.000 1.139 459 M CA 1.087 55.996 55.300 -0.651 0.000 0.681 459 M CB -2.550 29.384 32.600 -1.109 0.000 1.180 459 M HN 0.504 nan 8.290 nan 0.000 0.788 460 V N -2.344 117.486 119.914 -0.140 0.000 3.181 460 V HA 1.064 5.184 4.120 -0.000 0.000 0.308 460 V C 0.518 176.576 176.094 -0.060 0.000 1.214 460 V CA -0.047 62.226 62.300 -0.045 0.000 1.053 460 V CB 1.784 33.618 31.823 0.018 0.000 1.069 460 V HN 0.465 nan 8.190 nan 0.000 0.441 461 G N 0.470 109.259 108.800 -0.018 0.000 2.568 461 G HA2 0.484 4.444 3.960 -0.000 0.000 0.212 461 G HA3 0.484 4.444 3.960 -0.000 0.000 0.212 461 G C -2.434 172.461 174.900 -0.009 0.000 1.821 461 G CA -0.174 44.906 45.100 -0.034 0.000 0.904 461 G HN 0.698 nan 8.290 nan 0.000 0.566 462 P HA 0.292 nan 4.420 nan 0.000 0.281 462 P C 0.773 178.183 177.300 0.183 0.000 1.249 462 P CA -0.780 62.409 63.100 0.147 0.000 0.810 462 P CB 1.810 33.554 31.700 0.074 0.000 1.008 463 I N 1.826 122.507 120.570 0.186 0.000 2.229 463 I HA -0.361 3.809 4.170 -0.000 0.000 0.250 463 I C 1.697 177.673 176.117 -0.236 0.000 1.096 463 I CA 2.052 63.219 61.300 -0.221 0.000 1.358 463 I CB -0.289 37.456 38.000 -0.426 0.000 1.047 463 I HN 0.366 nan 8.210 nan 0.000 0.422 464 E N 0.574 120.717 120.200 -0.096 0.000 2.085 464 E HA -0.257 4.093 4.350 -0.000 0.000 0.194 464 E C 2.067 178.606 176.600 -0.102 0.000 0.994 464 E CA 1.825 58.176 56.400 -0.083 0.000 0.801 464 E CB -0.306 29.380 29.700 -0.024 0.000 0.743 464 E HN 0.628 nan 8.360 nan 0.000 0.453 465 E N 0.196 120.355 120.200 -0.067 0.000 2.204 465 E HA -0.180 4.170 4.350 -0.000 0.000 0.195 465 E C 2.005 178.527 176.600 -0.130 0.000 0.990 465 E CA 0.896 57.258 56.400 -0.062 0.000 0.821 465 E CB -0.161 29.530 29.700 -0.015 0.000 0.750 465 E HN 0.295 nan 8.360 nan 0.000 0.477 466 A N 1.169 123.850 122.820 -0.232 0.000 1.929 466 A HA -0.074 4.246 4.320 -0.000 0.000 0.216 466 A C 2.511 179.803 177.584 -0.488 0.000 1.176 466 A CA 0.779 52.541 52.037 -0.457 0.000 0.628 466 A CB -0.432 18.090 19.000 -0.796 0.000 0.816 466 A HN 0.103 nan 8.150 nan 0.000 0.444 467 V N -0.127 119.551 119.914 -0.392 0.000 2.307 467 V HA -0.205 3.915 4.120 -0.000 0.000 0.245 467 V C 3.066 179.076 176.094 -0.139 0.000 1.045 467 V CA 1.820 63.972 62.300 -0.247 0.000 1.024 467 V CB -1.164 30.582 31.823 -0.128 0.000 0.651 467 V HN 0.603 nan 8.190 nan 0.000 0.449 468 A N -0.002 122.752 122.820 -0.110 0.000 1.851 468 A HA -0.321 3.998 4.320 -0.000 0.000 0.216 468 A C 2.320 179.863 177.584 -0.068 0.000 1.195 468 A CA 2.447 54.445 52.037 -0.065 0.000 0.622 468 A CB -0.652 18.319 19.000 -0.048 0.000 0.831 468 A HN 0.513 nan 8.150 nan 0.000 0.444 469 K N -0.352 119.995 120.400 -0.089 0.000 2.160 469 K HA -0.175 4.145 4.320 -0.000 0.000 0.206 469 K C 2.057 178.613 176.600 -0.073 0.000 1.047 469 K CA 1.331 57.576 56.287 -0.070 0.000 0.930 469 K CB -0.342 32.116 32.500 -0.070 0.000 0.720 469 K HN 0.418 nan 8.250 nan 0.000 0.450 470 A N 1.749 124.500 122.820 -0.116 0.000 1.877 470 A HA -0.215 4.105 4.320 -0.000 0.000 0.216 470 A C 1.631 179.196 177.584 -0.032 0.000 1.186 470 A CA 2.032 54.017 52.037 -0.088 0.000 0.620 470 A CB -0.611 18.320 19.000 -0.115 0.000 0.822 470 A HN 0.434 nan 8.150 nan 0.000 0.443 471 D N -0.298 120.087 120.400 -0.025 0.000 2.087 471 D HA -0.187 4.453 4.640 -0.000 0.000 0.192 471 D C 1.834 178.131 176.300 -0.005 0.000 0.993 471 D CA 1.687 55.684 54.000 -0.006 0.000 0.828 471 D CB -0.516 40.281 40.800 -0.005 0.000 0.968 471 D HN 0.540 nan 8.370 nan 0.000 0.448 472 K N 0.401 120.794 120.400 -0.011 0.000 2.127 472 K HA -0.135 4.185 4.320 -0.000 0.000 0.208 472 K C 2.229 178.830 176.600 0.001 0.000 1.047 472 K CA 0.872 57.156 56.287 -0.006 0.000 0.927 472 K CB -0.144 32.352 32.500 -0.008 0.000 0.716 472 K HN 0.116 nan 8.250 nan 0.000 0.450 473 L N -0.191 121.032 121.223 -0.000 0.000 2.156 473 L HA -0.048 4.292 4.340 -0.000 0.000 0.208 473 L C 2.388 179.264 176.870 0.011 0.000 1.095 473 L CA 0.704 55.549 54.840 0.008 0.000 0.770 473 L CB -0.506 41.558 42.059 0.008 0.000 0.914 473 L HN 0.245 nan 8.230 nan 0.000 0.439 474 A N -0.632 122.194 122.820 0.009 0.000 2.148 474 A HA -0.154 4.166 4.320 -0.000 0.000 0.222 474 A C 0.563 178.155 177.584 0.013 0.000 1.161 474 A CA 1.619 53.664 52.037 0.014 0.000 0.662 474 A CB -0.174 18.835 19.000 0.015 0.000 0.799 474 A HN 0.511 nan 8.150 nan 0.000 0.466 475 E N 0.000 120.206 120.200 0.011 0.000 2.725 475 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 475 E CA 0.000 56.406 56.400 0.010 0.000 0.976 475 E CB 0.000 29.706 29.700 0.009 0.000 0.812 475 E HN 0.000 nan 8.360 nan 0.000 0.440