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 2ck3_1_F 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 KADKLA 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 0.000 174.807 174.700 0.178 0.000 1.109 9 T CA 0.000 62.164 62.100 0.107 0.000 1.349 9 T CB 0.000 68.924 68.868 0.092 0.000 0.612 10 T N -0.058 114.580 114.554 0.140 0.000 2.823 10 T HA 0.709 5.058 4.350 -0.000 0.000 0.279 10 T C 0.129 174.724 174.700 -0.175 0.000 0.998 10 T CA 0.261 62.382 62.100 0.035 0.000 0.994 10 T CB 0.744 69.598 68.868 -0.023 0.000 0.960 10 T HN 1.124 nan 8.240 nan 0.000 0.448 11 G N 2.938 111.388 108.800 -0.584 0.000 2.537 11 G HA2 0.730 4.690 3.960 -0.000 0.000 0.323 11 G HA3 0.730 4.690 3.960 -0.000 0.000 0.323 11 G C -1.273 173.295 174.900 -0.554 0.000 1.207 11 G CA -0.893 43.503 45.100 -1.173 0.000 0.976 11 G HN 0.754 nan 8.290 nan 0.000 0.487 12 R N -0.389 119.837 120.500 -0.456 0.000 2.561 12 R HA 0.374 4.714 4.340 -0.000 0.000 0.297 12 R C -0.376 175.805 176.300 -0.198 0.000 0.969 12 R CA -0.732 55.221 56.100 -0.246 0.000 0.879 12 R CB 2.465 32.663 30.300 -0.169 0.000 1.178 12 R HN 0.402 nan 8.270 nan 0.000 0.445 13 I N 3.333 123.823 120.570 -0.134 0.000 2.618 13 I HA -0.085 4.085 4.170 -0.000 0.000 0.284 13 I C 1.440 177.517 176.117 -0.067 0.000 1.146 13 I CA 0.238 61.486 61.300 -0.087 0.000 1.425 13 I CB 0.880 38.845 38.000 -0.059 0.000 1.383 13 I HN 0.570 nan 8.210 nan 0.000 0.562 14 V N 2.934 122.818 119.914 -0.051 0.000 3.612 14 V HA 0.616 4.736 4.120 -0.000 0.000 0.268 14 V C 0.495 176.575 176.094 -0.024 0.000 1.365 14 V CA 0.374 62.651 62.300 -0.037 0.000 1.044 14 V CB 0.214 32.017 31.823 -0.034 0.000 0.820 14 V HN 0.736 nan 8.190 nan 0.000 0.444 15 A N -0.273 122.536 122.820 -0.019 0.000 2.566 15 A HA 0.811 5.131 4.320 -0.000 0.000 0.297 15 A C -1.343 176.235 177.584 -0.010 0.000 1.059 15 A CA -0.351 51.679 52.037 -0.012 0.000 0.691 15 A CB 2.144 21.140 19.000 -0.007 0.000 1.282 15 A HN 0.611 nan 8.150 nan 0.000 0.401 16 V N 2.051 121.960 119.914 -0.009 0.000 2.668 16 V HA 0.670 4.790 4.120 -0.000 0.000 0.304 16 V C -1.325 174.766 176.094 -0.006 0.000 1.071 16 V CA -0.253 62.043 62.300 -0.007 0.000 0.894 16 V CB 1.646 33.463 31.823 -0.009 0.000 1.008 16 V HN 0.960 nan 8.190 nan 0.000 0.425 17 I N 4.511 125.079 120.570 -0.005 0.000 2.529 17 I HA 0.772 4.942 4.170 -0.000 0.000 0.284 17 I C 0.573 176.686 176.117 -0.006 0.000 1.088 17 I CA 1.232 62.529 61.300 -0.005 0.000 1.062 17 I CB 1.161 39.158 38.000 -0.005 0.000 1.218 17 I HN 0.951 nan 8.210 nan 0.000 0.442 18 G N 5.811 114.608 108.800 -0.006 0.000 2.651 18 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.315 18 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.315 18 G C 0.979 175.876 174.900 -0.006 0.000 1.258 18 G CA 0.757 45.852 45.100 -0.007 0.000 1.002 18 G HN 1.610 nan 8.290 nan 0.000 0.551 19 A N -0.855 121.960 122.820 -0.008 0.000 2.168 19 A HA 0.498 4.818 4.320 -0.000 0.000 0.215 19 A C 1.132 178.715 177.584 -0.003 0.000 1.152 19 A CA 1.814 53.847 52.037 -0.007 0.000 0.716 19 A CB -0.066 18.926 19.000 -0.014 0.000 0.794 19 A HN 1.352 nan 8.150 nan 0.000 0.465 20 V N 1.033 120.945 119.914 -0.003 0.000 2.370 20 V HA 0.395 4.515 4.120 -0.000 0.000 0.279 20 V C -0.615 175.481 176.094 0.004 0.000 1.029 20 V CA -0.379 61.922 62.300 0.002 0.000 0.870 20 V CB 1.314 33.138 31.823 0.000 0.000 0.984 20 V HN 0.075 nan 8.190 nan 0.000 0.451 21 V N 4.149 124.069 119.914 0.010 0.000 2.531 21 V HA 0.468 4.588 4.120 -0.000 0.000 0.301 21 V C -0.774 175.330 176.094 0.018 0.000 1.034 21 V CA -0.806 61.499 62.300 0.009 0.000 0.865 21 V CB 2.080 33.908 31.823 0.008 0.000 0.995 21 V HN 0.786 nan 8.190 nan 0.000 0.424 22 D N 3.299 123.705 120.400 0.011 0.000 2.177 22 D HA 0.605 5.245 4.640 -0.000 0.000 0.247 22 D C -0.528 175.774 176.300 0.003 0.000 1.063 22 D CA -0.029 53.981 54.000 0.017 0.000 0.867 22 D CB 2.209 43.015 40.800 0.010 0.000 1.168 22 D HN 0.273 nan 8.370 nan 0.000 0.445 23 V N 2.121 122.049 119.914 0.023 0.000 2.577 23 V HA 0.299 4.419 4.120 -0.000 0.000 0.303 23 V C -0.205 175.879 176.094 -0.016 0.000 1.042 23 V CA -0.927 61.352 62.300 -0.035 0.000 0.872 23 V CB 1.922 33.733 31.823 -0.020 0.000 0.998 23 V HN 0.395 nan 8.190 nan 0.000 0.423 24 Q N 2.815 122.537 119.800 -0.131 0.000 2.256 24 Q HA 0.656 4.995 4.340 -0.000 0.000 0.257 24 Q C -1.863 174.010 176.000 -0.212 0.000 0.936 24 Q CA -0.430 55.330 55.803 -0.070 0.000 0.903 24 Q CB 1.413 30.115 28.738 -0.061 0.000 1.263 24 Q HN 0.630 nan 8.270 nan 0.000 0.440 25 F N 2.232 122.150 119.950 -0.054 0.000 2.482 25 F HA 0.243 4.769 4.527 -0.000 0.000 0.331 25 F C 0.411 176.186 175.800 -0.042 0.000 1.115 25 F CA -0.634 57.337 58.000 -0.049 0.000 0.955 25 F CB 1.860 40.824 39.000 -0.061 0.000 1.136 25 F HN 0.654 nan 8.300 nan 0.000 0.452 26 D N 1.014 121.479 120.400 0.109 0.000 2.240 26 D HA 0.004 4.643 4.640 -0.000 0.000 0.206 26 D C -0.092 176.249 176.300 0.068 0.000 0.963 26 D CA 1.225 55.260 54.000 0.059 0.000 0.863 26 D CB 0.283 41.095 40.800 0.019 0.000 0.973 26 D HN 0.485 nan 8.370 nan 0.000 0.501 27 E N -0.683 119.577 120.200 0.099 0.000 2.283 27 E HA 0.536 4.886 4.350 -0.000 0.000 0.258 27 E C -0.741 175.895 176.600 0.061 0.000 0.893 27 E CA -0.462 55.976 56.400 0.064 0.000 0.798 27 E CB 1.815 31.542 29.700 0.046 0.000 1.242 27 E HN 0.102 nan 8.360 nan 0.000 0.414 28 G N 2.433 111.241 108.800 0.015 0.000 3.285 28 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.685 28 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.685 28 G C -1.306 173.509 174.900 -0.142 0.000 0.938 28 G CA -0.781 44.294 45.100 -0.043 0.000 0.778 28 G HN 0.362 nan 8.290 nan 0.000 0.515 29 L N 5.719 126.823 121.223 -0.199 0.000 2.296 29 L HA 0.713 5.053 4.340 -0.000 0.000 0.286 29 L C -1.479 175.172 176.870 -0.364 0.000 1.023 29 L CA -2.175 52.436 54.840 -0.380 0.000 0.812 29 L CB 1.372 43.243 42.059 -0.314 0.000 1.223 29 L HN 0.505 nan 8.230 nan 0.000 0.421 30 P HA 0.211 nan 4.420 nan 0.000 0.267 30 P C -2.711 174.578 177.300 -0.019 0.000 1.205 30 P CA -1.112 61.809 63.100 -0.298 0.000 0.765 30 P CB -0.047 31.421 31.700 -0.387 0.000 0.828 31 P HA 0.133 nan 4.420 nan 0.000 0.270 31 P C 0.509 177.805 177.300 -0.006 0.000 1.223 31 P CA -0.104 63.011 63.100 0.025 0.000 0.785 31 P CB 0.563 32.237 31.700 -0.042 0.000 0.923 32 I N 2.139 122.641 120.570 -0.113 0.000 2.845 32 I HA -0.158 4.012 4.170 -0.000 0.000 0.296 32 I C 1.591 177.639 176.117 -0.116 0.000 1.216 32 I CA 0.705 61.936 61.300 -0.114 0.000 1.438 32 I CB -0.371 37.519 38.000 -0.183 0.000 1.342 32 I HN 0.446 nan 8.210 nan 0.000 0.577 33 L N 1.772 122.924 121.223 -0.119 0.000 4.110 33 L HA -0.252 4.088 4.340 -0.000 0.000 0.404 33 L C 0.255 177.081 176.870 -0.072 0.000 0.763 33 L CA 0.150 54.886 54.840 -0.174 0.000 2.413 33 L CB -1.480 40.382 42.059 -0.329 0.000 1.244 33 L HN 0.690 nan 8.230 nan 0.000 0.614 34 N N 1.342 120.017 118.700 -0.042 0.000 2.454 34 N HA 0.430 5.170 4.740 -0.000 0.000 0.254 34 N C 0.304 175.819 175.510 0.009 0.000 1.228 34 N CA 0.978 54.018 53.050 -0.017 0.000 0.900 34 N CB 0.840 39.305 38.487 -0.035 0.000 1.089 34 N HN 0.311 nan 8.380 nan 0.000 0.449 35 A N 2.947 125.779 122.820 0.020 0.000 2.362 35 A HA 0.459 4.779 4.320 -0.000 0.000 0.276 35 A C -0.199 177.405 177.584 0.034 0.000 1.153 35 A CA -0.437 51.618 52.037 0.031 0.000 0.813 35 A CB -0.117 18.899 19.000 0.027 0.000 1.081 35 A HN 0.634 nan 8.150 nan 0.000 0.507 36 L N 2.149 123.404 121.223 0.054 0.000 2.331 36 L HA 0.512 4.852 4.340 -0.000 0.000 0.275 36 L C -0.180 176.724 176.870 0.057 0.000 1.022 36 L CA -0.801 54.088 54.840 0.082 0.000 0.812 36 L CB 1.503 43.648 42.059 0.144 0.000 1.257 36 L HN 0.571 nan 8.230 nan 0.000 0.435 37 E N 2.365 122.596 120.200 0.052 0.000 2.129 37 E HA 0.294 4.644 4.350 -0.000 0.000 0.268 37 E C -0.830 175.783 176.600 0.022 0.000 0.900 37 E CA -0.615 55.802 56.400 0.028 0.000 0.755 37 E CB 2.345 32.055 29.700 0.017 0.000 1.117 37 E HN 0.188 nan 8.360 nan 0.000 0.410 38 V N 4.157 124.078 119.914 0.013 0.000 2.508 38 V HA -0.019 4.101 4.120 -0.000 0.000 0.281 38 V C 0.586 176.677 176.094 -0.006 0.000 1.041 38 V CA -0.368 61.932 62.300 -0.000 0.000 1.016 38 V CB 0.711 32.533 31.823 -0.003 0.000 0.984 38 V HN 0.459 nan 8.190 nan 0.000 0.478 39 Q N 3.019 122.811 119.800 -0.013 0.000 2.314 39 Q HA 0.398 4.738 4.340 -0.000 0.000 0.258 39 Q C 1.158 177.149 176.000 -0.014 0.000 0.954 39 Q CA 0.718 56.513 55.803 -0.013 0.000 0.890 39 Q CB 1.086 29.813 28.738 -0.018 0.000 1.210 39 Q HN 1.153 nan 8.270 nan 0.000 0.410 40 G N 2.269 111.062 108.800 -0.011 0.000 2.131 40 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.223 40 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.223 40 G C -0.030 174.865 174.900 -0.008 0.000 0.990 40 G CA -0.365 44.728 45.100 -0.010 0.000 0.671 40 G HN 0.377 nan 8.290 nan 0.000 0.521 41 R N 0.197 120.693 120.500 -0.007 0.000 2.500 41 R HA 0.436 4.776 4.340 -0.000 0.000 0.277 41 R C 1.137 177.435 176.300 -0.004 0.000 1.026 41 R CA -0.654 55.443 56.100 -0.005 0.000 1.058 41 R CB 0.767 31.065 30.300 -0.004 0.000 1.078 41 R HN 0.192 nan 8.270 nan 0.000 0.509 42 E N 0.809 121.007 120.200 -0.003 0.000 2.106 42 E HA -0.071 4.279 4.350 -0.000 0.000 0.192 42 E C 0.534 177.133 176.600 -0.001 0.000 0.984 42 E CA 1.363 57.762 56.400 -0.002 0.000 0.806 42 E CB 0.062 29.761 29.700 -0.002 0.000 0.750 42 E HN 0.690 nan 8.360 nan 0.000 0.458 43 T N -1.717 112.837 114.554 -0.000 0.000 2.887 43 T HA 0.454 4.804 4.350 -0.000 0.000 0.288 43 T C 0.009 174.710 174.700 0.001 0.000 1.021 43 T CA -0.977 61.123 62.100 0.001 0.000 1.000 43 T CB 2.486 71.355 68.868 0.002 0.000 1.034 43 T HN -0.114 nan 8.240 nan 0.000 0.467 44 R N 1.098 121.599 120.500 0.002 0.000 2.486 44 R HA 0.166 4.506 4.340 -0.000 0.000 0.303 44 R C -0.890 175.413 176.300 0.004 0.000 0.958 44 R CA -0.311 55.790 56.100 0.002 0.000 1.077 44 R CB -0.217 30.084 30.300 0.002 0.000 0.921 44 R HN 0.570 nan 8.270 nan 0.000 0.406 45 L N 6.319 127.545 121.223 0.004 0.000 2.294 45 L HA 0.333 4.673 4.340 -0.000 0.000 0.283 45 L C -1.179 175.698 176.870 0.012 0.000 1.015 45 L CA -0.468 54.376 54.840 0.007 0.000 0.831 45 L CB 1.775 43.837 42.059 0.004 0.000 1.217 45 L HN 0.320 nan 8.230 nan 0.000 0.420 46 V N 6.349 126.272 119.914 0.015 0.000 2.481 46 V HA 0.450 4.570 4.120 -0.000 0.000 0.286 46 V C 0.069 176.180 176.094 0.027 0.000 1.042 46 V CA -0.529 61.784 62.300 0.022 0.000 0.928 46 V CB 1.581 33.417 31.823 0.022 0.000 0.986 46 V HN 0.587 nan 8.190 nan 0.000 0.462 47 L N 4.225 125.470 121.223 0.037 0.000 2.313 47 L HA 0.588 4.928 4.340 -0.000 0.000 0.283 47 L C 0.002 176.902 176.870 0.050 0.000 1.013 47 L CA -0.325 54.540 54.840 0.042 0.000 0.816 47 L CB 1.778 43.867 42.059 0.050 0.000 1.236 47 L HN 0.633 nan 8.230 nan 0.000 0.419 48 E N 2.428 122.656 120.200 0.046 0.000 2.156 48 E HA 0.322 4.671 4.350 -0.000 0.000 0.279 48 E C -0.967 175.655 176.600 0.037 0.000 0.965 48 E CA -0.801 55.627 56.400 0.046 0.000 0.789 48 E CB 1.789 31.527 29.700 0.063 0.000 1.098 48 E HN 0.332 nan 8.360 nan 0.000 0.397 49 V N 4.351 124.284 119.914 0.031 0.000 2.493 49 V HA 0.036 4.156 4.120 -0.000 0.000 0.292 49 V C 0.928 177.029 176.094 0.011 0.000 1.016 49 V CA 0.894 63.217 62.300 0.038 0.000 1.097 49 V CB 0.663 32.512 31.823 0.044 0.000 0.947 49 V HN 0.881 nan 8.190 nan 0.000 0.479 50 A N 4.385 127.220 122.820 0.025 0.000 2.013 50 A HA 0.311 4.631 4.320 -0.000 0.000 0.204 50 A C 0.725 178.311 177.584 0.004 0.000 1.262 50 A CA 0.263 52.300 52.037 0.001 0.000 0.800 50 A CB 0.344 19.347 19.000 0.005 0.000 0.909 50 A HN 0.774 nan 8.150 nan 0.000 0.472 51 Q N -0.984 118.848 119.800 0.052 0.000 2.418 51 Q HA 0.393 4.733 4.340 -0.000 0.000 0.282 51 Q C -1.661 174.463 176.000 0.207 0.000 1.044 51 Q CA -0.579 55.264 55.803 0.068 0.000 0.813 51 Q CB 1.790 30.558 28.738 0.049 0.000 1.428 51 Q HN 0.604 nan 8.270 nan 0.000 0.402 52 H N 1.714 120.777 119.070 -0.011 0.000 2.594 52 H HA 0.236 4.792 4.556 -0.000 0.000 0.304 52 H C 0.499 175.828 175.328 0.002 0.000 1.068 52 H CA -0.291 55.754 56.048 -0.005 0.000 1.308 52 H CB 1.131 30.884 29.762 -0.016 0.000 1.409 52 H HN 0.448 nan 8.280 nan 0.000 0.460 53 L N 2.895 124.176 121.223 0.097 0.000 2.446 53 L HA 0.170 4.510 4.340 -0.000 0.000 0.219 53 L C 1.201 178.096 176.870 0.042 0.000 1.116 53 L CA 0.493 55.367 54.840 0.056 0.000 0.844 53 L CB 0.028 42.109 42.059 0.037 0.000 0.970 53 L HN 0.902 nan 8.230 nan 0.000 0.457 54 G N 0.156 108.978 108.800 0.037 0.000 2.603 54 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.686 54 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.686 54 G C -0.114 174.790 174.900 0.007 0.000 1.286 54 G CA -0.506 44.606 45.100 0.022 0.000 0.871 54 G HN 0.294 nan 8.290 nan 0.000 0.568 55 E N -0.847 119.356 120.200 0.005 0.000 2.269 55 E HA -0.224 4.126 4.350 -0.000 0.000 0.223 55 E C 1.000 177.601 176.600 0.001 0.000 1.244 55 E CA 0.998 57.400 56.400 0.003 0.000 0.713 55 E CB -1.627 28.075 29.700 0.004 0.000 1.178 55 E HN 1.974 nan 8.360 nan 0.000 0.370 56 S N -2.067 113.628 115.700 -0.010 0.000 3.445 56 S HA -0.203 4.267 4.470 -0.000 0.000 0.319 56 S C 0.159 174.773 174.600 0.023 0.000 1.209 56 S CA 1.570 59.767 58.200 -0.005 0.000 0.934 56 S CB -0.910 62.305 63.200 0.024 0.000 0.999 56 S HN 0.482 nan 8.310 nan 0.000 0.582 57 T N 1.473 116.027 114.554 -0.001 0.000 2.807 57 T HA 0.632 4.982 4.350 -0.000 0.000 0.279 57 T C 0.212 174.917 174.700 0.009 0.000 0.993 57 T CA -0.316 61.802 62.100 0.030 0.000 0.970 57 T CB 1.861 70.740 68.868 0.018 0.000 0.950 57 T HN 0.498 nan 8.240 nan 0.000 0.441 58 V N 1.380 121.331 119.914 0.061 0.000 2.769 58 V HA 0.773 4.893 4.120 -0.000 0.000 0.312 58 V C -0.288 175.854 176.094 0.080 0.000 1.058 58 V CA -1.395 60.941 62.300 0.061 0.000 0.952 58 V CB 1.720 33.582 31.823 0.064 0.000 1.019 58 V HN 0.841 nan 8.190 nan 0.000 0.445 59 R N 2.023 122.570 120.500 0.078 0.000 2.338 59 R HA 0.718 5.058 4.340 -0.000 0.000 0.317 59 R C -0.155 176.179 176.300 0.058 0.000 0.968 59 R CA 0.309 56.443 56.100 0.057 0.000 0.849 59 R CB 1.486 31.811 30.300 0.043 0.000 1.128 59 R HN 1.193 nan 8.270 nan 0.000 0.448 60 T N 1.309 115.892 114.554 0.048 0.000 2.916 60 T HA 0.563 4.913 4.350 -0.000 0.000 0.292 60 T C -0.202 174.515 174.700 0.028 0.000 1.064 60 T CA -0.847 61.280 62.100 0.045 0.000 1.011 60 T CB 1.152 70.056 68.868 0.061 0.000 1.152 60 T HN 0.434 nan 8.240 nan 0.000 0.510 61 I N 1.818 122.402 120.570 0.025 0.000 2.389 61 I HA 0.578 4.748 4.170 -0.000 0.000 0.288 61 I C 0.596 176.724 176.117 0.018 0.000 0.999 61 I CA -1.197 60.111 61.300 0.014 0.000 1.129 61 I CB 1.605 39.609 38.000 0.006 0.000 1.288 61 I HN 0.965 nan 8.210 nan 0.000 0.444 62 A N 7.022 129.849 122.820 0.011 0.000 2.388 62 A HA 0.420 4.740 4.320 -0.000 0.000 0.257 62 A C 0.790 178.380 177.584 0.010 0.000 1.095 62 A CA -0.240 51.804 52.037 0.012 0.000 0.791 62 A CB 0.451 19.455 19.000 0.007 0.000 1.029 62 A HN 0.760 nan 8.150 nan 0.000 0.489 63 M N 0.811 120.420 119.600 0.014 0.000 2.495 63 M HA 0.180 4.660 4.480 -0.000 0.000 0.237 63 M C -0.086 176.220 176.300 0.010 0.000 1.131 63 M CA 0.623 55.931 55.300 0.013 0.000 1.032 63 M CB -0.959 31.652 32.600 0.019 0.000 1.513 63 M HN 0.806 nan 8.290 nan 0.000 0.488 64 D N -1.238 119.166 120.400 0.008 0.000 2.759 64 D HA 0.439 5.078 4.640 -0.000 0.000 0.321 64 D C -0.543 175.759 176.300 0.003 0.000 1.267 64 D CA -0.209 53.795 54.000 0.006 0.000 0.933 64 D CB 1.187 41.991 40.800 0.007 0.000 1.431 64 D HN 0.107 nan 8.370 nan 0.000 0.504 65 G N -0.848 107.953 108.800 0.002 0.000 2.484 65 G HA2 0.330 4.290 3.960 -0.000 0.000 0.235 65 G HA3 0.330 4.290 3.960 -0.000 0.000 0.235 65 G C 0.850 175.749 174.900 -0.001 0.000 1.282 65 G CA 0.626 45.726 45.100 0.000 0.000 0.857 65 G HN 0.400 nan 8.290 nan 0.000 0.571 66 T N -1.311 113.241 114.554 -0.002 0.000 3.069 66 T HA 0.132 4.482 4.350 -0.000 0.000 0.252 66 T C 0.795 175.493 174.700 -0.005 0.000 1.053 66 T CA 0.062 62.160 62.100 -0.003 0.000 0.964 66 T CB 0.033 68.899 68.868 -0.004 0.000 1.005 66 T HN 0.656 nan 8.240 nan 0.000 0.532 67 E N 2.048 122.246 120.200 -0.004 0.000 2.452 67 E HA 0.257 4.607 4.350 -0.000 0.000 0.261 67 E C 1.163 177.760 176.600 -0.005 0.000 0.987 67 E CA 0.789 57.186 56.400 -0.005 0.000 0.926 67 E CB 0.037 29.735 29.700 -0.004 0.000 0.934 67 E HN 0.491 nan 8.360 nan 0.000 0.452 68 G N 2.762 111.558 108.800 -0.007 0.000 2.195 68 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.246 68 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.246 68 G C 0.313 175.207 174.900 -0.010 0.000 0.984 68 G CA 0.176 45.271 45.100 -0.008 0.000 0.633 68 G HN 0.485 nan 8.290 nan 0.000 0.525 69 L N 0.929 122.146 121.223 -0.011 0.000 2.426 69 L HA 0.537 4.877 4.340 -0.000 0.000 0.271 69 L C 0.566 177.426 176.870 -0.016 0.000 1.169 69 L CA -0.432 54.400 54.840 -0.014 0.000 0.836 69 L CB 1.278 43.329 42.059 -0.013 0.000 1.112 69 L HN -0.003 nan 8.230 nan 0.000 0.465 70 V N 2.957 122.858 119.914 -0.020 0.000 2.769 70 V HA 0.387 4.507 4.120 -0.000 0.000 0.312 70 V C 0.055 176.132 176.094 -0.028 0.000 1.061 70 V CA -0.981 61.306 62.300 -0.022 0.000 0.931 70 V CB 2.031 33.841 31.823 -0.021 0.000 1.010 70 V HN 0.676 nan 8.190 nan 0.000 0.433 71 R N 2.043 122.527 120.500 -0.027 0.000 2.522 71 R HA 0.411 4.751 4.340 -0.000 0.000 0.284 71 R C 1.264 177.541 176.300 -0.038 0.000 1.032 71 R CA 1.054 57.134 56.100 -0.033 0.000 1.049 71 R CB 0.084 30.368 30.300 -0.027 0.000 0.956 71 R HN 1.217 nan 8.270 nan 0.000 0.422 72 G N 1.666 110.436 108.800 -0.051 0.000 2.194 72 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.236 72 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.236 72 G C 0.158 175.020 174.900 -0.063 0.000 0.987 72 G CA -0.009 45.056 45.100 -0.057 0.000 0.635 72 G HN 0.600 nan 8.290 nan 0.000 0.520 73 Q N 1.244 121.009 119.800 -0.058 0.000 2.337 73 Q HA 0.404 4.744 4.340 -0.000 0.000 0.270 73 Q C 0.225 176.178 176.000 -0.077 0.000 1.002 73 Q CA -0.095 55.675 55.803 -0.056 0.000 0.888 73 Q CB 0.431 29.143 28.738 -0.043 0.000 1.222 73 Q HN 0.152 nan 8.270 nan 0.000 0.400 74 K N 2.310 122.667 120.400 -0.071 0.000 2.270 74 K HA 0.313 4.633 4.320 -0.000 0.000 0.276 74 K C -0.939 175.611 176.600 -0.082 0.000 1.023 74 K CA -0.244 55.990 56.287 -0.089 0.000 0.955 74 K CB 1.275 33.737 32.500 -0.064 0.000 0.975 74 K HN 0.419 nan 8.250 nan 0.000 0.471 75 V N 4.048 123.893 119.914 -0.115 0.000 2.686 75 V HA 0.388 4.508 4.120 -0.000 0.000 0.306 75 V C -0.297 175.794 176.094 -0.006 0.000 1.065 75 V CA -0.899 61.362 62.300 -0.066 0.000 0.894 75 V CB 1.939 33.706 31.823 -0.093 0.000 1.004 75 V HN 0.534 nan 8.190 nan 0.000 0.424 76 L N 2.806 124.065 121.223 0.060 0.000 2.331 76 L HA 0.596 4.936 4.340 -0.000 0.000 0.275 76 L C -0.458 176.504 176.870 0.154 0.000 1.022 76 L CA -0.616 54.290 54.840 0.110 0.000 0.812 76 L CB 1.902 43.993 42.059 0.054 0.000 1.257 76 L HN 0.585 nan 8.230 nan 0.000 0.435 77 D N 0.477 120.982 120.400 0.175 0.000 2.316 77 D HA 0.070 4.710 4.640 -0.000 0.000 0.245 77 D C 0.995 177.314 176.300 0.032 0.000 1.171 77 D CA -0.160 53.890 54.000 0.084 0.000 0.856 77 D CB 1.532 42.331 40.800 -0.002 0.000 1.090 77 D HN 0.523 nan 8.370 nan 0.000 0.476 78 S N 2.607 118.316 115.700 0.015 0.000 2.522 78 S HA 0.103 4.573 4.470 -0.000 0.000 0.227 78 S C 1.677 176.265 174.600 -0.019 0.000 0.986 78 S CA 0.493 58.689 58.200 -0.007 0.000 0.929 78 S CB -0.266 62.926 63.200 -0.014 0.000 0.769 78 S HN 0.898 nan 8.310 nan 0.000 0.529 79 G N 0.260 109.046 108.800 -0.022 0.000 2.143 79 G HA2 0.120 4.080 3.960 -0.000 0.000 0.248 79 G HA3 0.120 4.080 3.960 -0.000 0.000 0.248 79 G C 0.117 175.002 174.900 -0.026 0.000 0.991 79 G CA -0.088 44.995 45.100 -0.029 0.000 0.689 79 G HN 1.635 nan 8.290 nan 0.000 0.522 80 A N -1.227 121.580 122.820 -0.021 0.000 2.608 80 A HA 0.877 5.197 4.320 -0.000 0.000 0.292 80 A C -2.976 174.609 177.584 0.003 0.000 1.066 80 A CA -0.667 51.363 52.037 -0.012 0.000 0.676 80 A CB 1.172 20.162 19.000 -0.016 0.000 1.277 80 A HN 0.109 nan 8.150 nan 0.000 0.413 81 P HA 0.344 nan 4.420 nan 0.000 0.274 81 P C -0.265 177.073 177.300 0.063 0.000 1.260 81 P CA -0.285 62.854 63.100 0.065 0.000 0.793 81 P CB 0.205 31.982 31.700 0.128 0.000 1.048 82 I N 0.761 121.383 120.570 0.087 0.000 2.919 82 I HA -0.118 4.052 4.170 -0.000 0.000 0.299 82 I C 1.134 177.276 176.117 0.040 0.000 1.221 82 I CA 1.085 62.416 61.300 0.051 0.000 1.424 82 I CB -0.311 37.719 38.000 0.050 0.000 1.358 82 I HN 0.130 nan 8.210 nan 0.000 0.551 83 R N 7.269 127.780 120.500 0.019 0.000 2.562 83 R HA 0.736 5.076 4.340 -0.000 0.000 0.298 83 R C -0.692 175.664 176.300 0.095 0.000 0.961 83 R CA -0.821 55.305 56.100 0.043 0.000 0.881 83 R CB 2.063 32.360 30.300 -0.006 0.000 1.159 83 R HN 0.606 nan 8.270 nan 0.000 0.450 84 I N -1.183 119.487 120.570 0.167 0.000 2.785 84 I HA 0.625 4.795 4.170 -0.000 0.000 0.302 84 I C -2.658 173.597 176.117 0.230 0.000 1.069 84 I CA -3.352 58.063 61.300 0.191 0.000 1.045 84 I CB 2.348 40.382 38.000 0.056 0.000 1.236 84 I HN 0.305 nan 8.210 nan 0.000 0.429 85 P HA 0.145 nan 4.420 nan 0.000 0.264 85 P C -0.748 176.355 177.300 -0.328 0.000 1.193 85 P CA -0.051 62.852 63.100 -0.328 0.000 0.763 85 P CB 0.722 32.282 31.700 -0.233 0.000 0.810 86 V N 0.656 120.267 119.914 -0.507 0.000 2.876 86 V HA 1.026 5.146 4.120 -0.000 0.000 0.312 86 V C 0.034 175.503 176.094 -1.042 0.000 1.085 86 V CA -0.223 61.678 62.300 -0.666 0.000 0.945 86 V CB 1.559 33.040 31.823 -0.570 0.000 1.017 86 V HN 0.921 nan 8.190 nan 0.000 0.428 87 G N 3.195 111.209 108.800 -1.311 0.000 2.343 87 G HA2 0.165 4.125 3.960 -0.000 0.000 0.465 87 G HA3 0.165 4.125 3.960 -0.000 0.000 0.465 87 G C -2.770 171.872 174.900 -0.430 0.000 1.282 87 G CA -0.004 44.414 45.100 -1.137 0.000 0.996 87 G HN 0.598 nan 8.290 nan 0.000 0.521 88 P HA -0.017 nan 4.420 nan 0.000 0.218 88 P C 1.430 178.725 177.300 -0.007 0.000 1.148 88 P CA 1.808 64.929 63.100 0.035 0.000 0.822 88 P CB 0.099 31.823 31.700 0.039 0.000 0.784 89 E N -0.767 119.388 120.200 -0.074 0.000 2.494 89 E HA -0.027 4.323 4.350 -0.000 0.000 0.193 89 E C 1.032 177.602 176.600 -0.050 0.000 1.074 89 E CA 0.933 57.300 56.400 -0.056 0.000 0.867 89 E CB -1.236 28.420 29.700 -0.072 0.000 0.924 89 E HN 0.333 nan 8.360 nan 0.000 0.502 90 T N -1.173 113.353 114.554 -0.047 0.000 3.067 90 T HA 0.105 4.455 4.350 -0.000 0.000 0.261 90 T C 1.124 175.862 174.700 0.064 0.000 1.110 90 T CA -0.164 61.933 62.100 -0.005 0.000 1.113 90 T CB -0.291 68.561 68.868 -0.028 0.000 0.917 90 T HN 0.046 nan 8.240 nan 0.000 0.499 91 L N 1.878 123.144 121.223 0.072 0.000 2.410 91 L HA 0.481 4.821 4.340 -0.000 0.000 0.273 91 L C 1.687 178.594 176.870 0.063 0.000 1.152 91 L CA 0.714 55.588 54.840 0.057 0.000 0.855 91 L CB 0.267 42.324 42.059 -0.004 0.000 1.129 91 L HN 0.521 nan 8.230 nan 0.000 0.463 92 G N 1.821 110.672 108.800 0.086 0.000 2.199 92 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.254 92 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.254 92 G C 0.371 175.354 174.900 0.138 0.000 0.982 92 G CA -0.367 44.796 45.100 0.105 0.000 0.632 92 G HN 0.462 nan 8.290 nan 0.000 0.529 93 R N -0.056 120.506 120.500 0.102 0.000 2.643 93 R HA 0.763 5.102 4.340 -0.000 0.000 0.272 93 R C 0.313 176.647 176.300 0.057 0.000 0.995 93 R CA -0.903 55.240 56.100 0.071 0.000 1.032 93 R CB 0.812 31.134 30.300 0.037 0.000 1.126 93 R HN 0.334 nan 8.270 nan 0.000 0.505 94 I N 2.889 123.450 120.570 -0.015 0.000 2.404 94 I HA 0.424 4.594 4.170 -0.000 0.000 0.293 94 I C 0.486 176.608 176.117 0.009 0.000 0.992 94 I CA -0.729 60.566 61.300 -0.009 0.000 1.149 94 I CB 1.477 39.384 38.000 -0.155 0.000 1.315 94 I HN 0.398 nan 8.210 nan 0.000 0.446 95 M N 4.980 124.611 119.600 0.051 0.000 2.662 95 M HA 0.532 5.012 4.480 -0.000 0.000 0.310 95 M C -1.001 175.335 176.300 0.060 0.000 1.204 95 M CA -0.658 54.665 55.300 0.039 0.000 0.891 95 M CB 2.114 34.730 32.600 0.026 0.000 1.732 95 M HN 0.656 nan 8.290 nan 0.000 0.467 96 N N 0.502 119.228 118.700 0.044 0.000 2.495 96 N HA 0.364 5.104 4.740 -0.000 0.000 0.294 96 N C 0.458 175.988 175.510 0.033 0.000 1.276 96 N CA -1.011 52.069 53.050 0.049 0.000 0.973 96 N CB 0.953 39.462 38.487 0.038 0.000 1.143 96 N HN 0.504 nan 8.380 nan 0.000 0.589 97 V N -0.027 119.905 119.914 0.029 0.000 2.380 97 V HA -0.242 3.878 4.120 -0.000 0.000 0.251 97 V C 1.997 178.098 176.094 0.012 0.000 1.063 97 V CA 1.828 64.138 62.300 0.016 0.000 1.055 97 V CB -1.154 30.678 31.823 0.016 0.000 0.657 97 V HN 0.714 nan 8.190 nan 0.000 0.455 98 I N -1.537 119.044 120.570 0.018 0.000 3.855 98 I HA 0.587 4.757 4.170 -0.000 0.000 0.327 98 I C 1.319 177.454 176.117 0.030 0.000 1.359 98 I CA 0.548 61.860 61.300 0.020 0.000 1.142 98 I CB -0.392 37.618 38.000 0.018 0.000 1.041 98 I HN 0.292 nan 8.210 nan 0.000 0.403 99 G N 1.273 110.092 108.800 0.031 0.000 2.153 99 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.252 99 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.252 99 G C -0.118 174.811 174.900 0.048 0.000 0.994 99 G CA 0.083 45.209 45.100 0.043 0.000 0.698 99 G HN 0.678 nan 8.290 nan 0.000 0.521 100 E N 1.624 121.845 120.200 0.036 0.000 2.313 100 E HA 0.328 4.678 4.350 -0.000 0.000 0.276 100 E C -2.104 174.508 176.600 0.021 0.000 1.031 100 E CA -1.757 54.661 56.400 0.030 0.000 0.857 100 E CB 1.088 30.800 29.700 0.021 0.000 1.040 100 E HN 0.197 nan 8.360 nan 0.000 0.408 101 P HA -0.023 nan 4.420 nan 0.000 0.267 101 P C 0.053 177.348 177.300 -0.010 0.000 1.205 101 P CA 0.561 63.662 63.100 0.003 0.000 0.765 101 P CB 0.192 31.895 31.700 0.005 0.000 0.828 102 I N -0.170 120.382 120.570 -0.030 0.000 3.707 102 I HA 0.272 4.442 4.170 -0.000 0.000 0.330 102 I C 0.025 176.082 176.117 -0.100 0.000 1.572 102 I CA -0.318 60.953 61.300 -0.049 0.000 1.104 102 I CB 0.049 38.026 38.000 -0.039 0.000 1.240 102 I HN 0.026 nan 8.210 nan 0.000 0.475 103 D N 0.122 120.465 120.400 -0.096 0.000 2.431 103 D HA 0.049 4.689 4.640 -0.000 0.000 0.213 103 D C 0.450 176.731 176.300 -0.033 0.000 1.130 103 D CA -0.194 53.728 54.000 -0.130 0.000 0.834 103 D CB -0.074 40.621 40.800 -0.175 0.000 0.985 103 D HN 0.461 nan 8.370 nan 0.000 0.504 104 E N -0.161 120.029 120.200 -0.016 0.000 2.791 104 E HA -0.250 4.100 4.350 -0.000 0.000 0.271 104 E C 0.219 176.831 176.600 0.021 0.000 1.044 104 E CA 0.357 56.761 56.400 0.007 0.000 0.814 104 E CB -1.139 28.571 29.700 0.016 0.000 1.400 104 E HN 0.417 nan 8.360 nan 0.000 0.423 105 R N -0.023 120.489 120.500 0.020 0.000 2.546 105 R HA 0.305 4.645 4.340 -0.000 0.000 0.320 105 R C 0.900 177.213 176.300 0.021 0.000 1.021 105 R CA 0.283 56.400 56.100 0.029 0.000 1.088 105 R CB 1.157 31.482 30.300 0.042 0.000 1.278 105 R HN 0.287 nan 8.270 nan 0.000 0.557 106 G N 2.061 110.871 108.800 0.016 0.000 2.681 106 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.220 106 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.220 106 G C -2.526 172.384 174.900 0.015 0.000 1.353 106 G CA -1.225 43.884 45.100 0.015 0.000 0.872 106 G HN 0.045 nan 8.290 nan 0.000 0.557 107 P HA 0.380 nan 4.420 nan 0.000 0.267 107 P C 0.131 177.437 177.300 0.011 0.000 1.200 107 P CA -0.041 63.073 63.100 0.022 0.000 0.772 107 P CB 0.308 32.025 31.700 0.027 0.000 0.855 108 I N 3.029 123.604 120.570 0.008 0.000 2.268 108 I HA 0.107 4.277 4.170 -0.000 0.000 0.290 108 I C 0.912 176.995 176.117 -0.057 0.000 1.125 108 I CA -0.388 60.896 61.300 -0.027 0.000 1.236 108 I CB -0.105 37.872 38.000 -0.038 0.000 1.469 108 I HN 0.178 nan 8.210 nan 0.000 0.512 109 K N 4.428 124.798 120.400 -0.052 0.000 2.278 109 K HA 0.198 4.518 4.320 -0.000 0.000 0.237 109 K C 0.262 176.784 176.600 -0.130 0.000 1.229 109 K CA -0.364 55.886 56.287 -0.062 0.000 1.155 109 K CB -0.734 31.753 32.500 -0.022 0.000 1.590 109 K HN 0.520 nan 8.250 nan 0.000 0.290 110 T N -1.166 113.238 114.554 -0.251 0.000 2.868 110 T HA 0.134 4.484 4.350 -0.000 0.000 0.292 110 T C 0.855 175.366 174.700 -0.314 0.000 1.028 110 T CA -0.644 61.249 62.100 -0.345 0.000 1.059 110 T CB 1.485 70.019 68.868 -0.557 0.000 0.991 110 T HN 0.399 nan 8.240 nan 0.000 0.531 111 K N 0.416 120.666 120.400 -0.250 0.000 2.361 111 K HA 0.084 4.404 4.320 -0.000 0.000 0.196 111 K C 0.258 176.764 176.600 -0.157 0.000 1.039 111 K CA 0.548 56.747 56.287 -0.147 0.000 1.001 111 K CB 0.183 32.637 32.500 -0.077 0.000 0.795 111 K HN 0.591 nan 8.250 nan 0.000 0.495 112 Q N -0.871 118.747 119.800 -0.304 0.000 2.423 112 Q HA 0.477 4.817 4.340 -0.000 0.000 0.278 112 Q C -1.102 174.612 176.000 -0.478 0.000 1.097 112 Q CA -0.593 55.077 55.803 -0.223 0.000 0.809 112 Q CB 1.599 30.271 28.738 -0.111 0.000 1.391 112 Q HN -0.110 nan 8.270 nan 0.000 0.428 113 F N 0.033 119.941 119.950 -0.069 0.000 2.598 113 F HA 0.926 5.453 4.527 -0.000 0.000 0.327 113 F C -0.344 175.426 175.800 -0.049 0.000 1.057 113 F CA -0.975 56.983 58.000 -0.072 0.000 0.957 113 F CB 1.995 40.966 39.000 -0.048 0.000 1.278 113 F HN 0.587 nan 8.300 nan 0.000 0.484 114 A N 0.691 123.600 122.820 0.148 0.000 2.486 114 A HA 0.813 5.133 4.320 -0.000 0.000 0.300 114 A C -1.217 176.411 177.584 0.073 0.000 1.048 114 A CA -0.709 51.378 52.037 0.083 0.000 0.696 114 A CB 0.959 19.982 19.000 0.037 0.000 1.278 114 A HN 1.032 nan 8.150 nan 0.000 0.405 115 A N 1.157 124.014 122.820 0.061 0.000 2.425 115 A HA 0.472 4.792 4.320 -0.000 0.000 0.249 115 A C 1.085 178.682 177.584 0.023 0.000 1.084 115 A CA 0.219 52.290 52.037 0.056 0.000 0.781 115 A CB -0.382 18.662 19.000 0.074 0.000 1.019 115 A HN 1.702 nan 8.150 nan 0.000 0.490 116 I N -0.862 119.695 120.570 -0.021 0.000 3.111 116 I HA 0.052 4.222 4.170 -0.000 0.000 0.272 116 I C 0.111 176.074 176.117 -0.258 0.000 1.268 116 I CA 0.381 61.597 61.300 -0.141 0.000 1.467 116 I CB -0.331 37.554 38.000 -0.192 0.000 1.087 116 I HN 0.489 nan 8.210 nan 0.000 0.467 117 H N 2.674 121.751 119.070 0.011 0.000 2.519 117 H HA 0.764 5.320 4.556 -0.000 0.000 0.316 117 H C -0.461 174.870 175.328 0.005 0.000 1.065 117 H CA -0.299 55.754 56.048 0.009 0.000 1.264 117 H CB 1.509 31.276 29.762 0.009 0.000 1.413 117 H HN 0.392 nan 8.280 nan 0.000 0.465 118 A N 3.474 126.347 122.820 0.089 0.000 2.515 118 A HA 0.386 4.706 4.320 -0.000 0.000 0.296 118 A C -0.285 177.327 177.584 0.047 0.000 1.094 118 A CA -0.909 51.160 52.037 0.054 0.000 0.718 118 A CB 1.830 20.844 19.000 0.023 0.000 1.307 118 A HN 0.675 nan 8.150 nan 0.000 0.408 119 E N 0.894 121.114 120.200 0.034 0.000 2.343 119 E HA 0.452 4.802 4.350 -0.000 0.000 0.269 119 E C 0.321 176.932 176.600 0.019 0.000 1.047 119 E CA -0.260 56.157 56.400 0.028 0.000 0.874 119 E CB 1.433 31.148 29.700 0.024 0.000 1.033 119 E HN 0.795 nan 8.360 nan 0.000 0.409 120 A N 4.180 127.011 122.820 0.019 0.000 2.531 120 A HA 0.157 4.476 4.320 -0.000 0.000 0.236 120 A C -2.060 175.534 177.584 0.015 0.000 1.062 120 A CA -0.939 51.106 52.037 0.012 0.000 0.760 120 A CB -0.544 18.468 19.000 0.019 0.000 0.995 120 A HN 0.335 nan 8.150 nan 0.000 0.501 121 P HA 0.024 nan 4.420 nan 0.000 0.263 121 P C -0.024 177.291 177.300 0.025 0.000 1.175 121 P CA 0.402 63.505 63.100 0.006 0.000 0.761 121 P CB 0.406 32.100 31.700 -0.010 0.000 0.794 122 E N 1.888 122.107 120.200 0.032 0.000 2.371 122 E HA 0.007 4.357 4.350 -0.000 0.000 0.257 122 E C 0.887 177.541 176.600 0.090 0.000 1.134 122 E CA -0.295 56.147 56.400 0.071 0.000 0.919 122 E CB 0.195 29.936 29.700 0.068 0.000 1.025 122 E HN 0.402 nan 8.360 nan 0.000 0.438 123 F N 2.023 121.973 119.950 0.001 0.000 2.120 123 F HA -0.264 4.263 4.527 -0.000 0.000 0.300 123 F C 1.905 177.704 175.800 -0.001 0.000 1.095 123 F CA 1.993 59.993 58.000 0.000 0.000 1.249 123 F CB -0.257 38.743 39.000 0.001 0.000 0.995 123 F HN 0.274 nan 8.300 nan 0.000 0.480 124 V N -1.765 118.174 119.914 0.041 0.000 2.867 124 V HA -0.221 3.899 4.120 -0.000 0.000 0.260 124 V C 1.511 177.534 176.094 -0.119 0.000 1.099 124 V CA 2.055 64.324 62.300 -0.052 0.000 1.122 124 V CB -1.153 30.696 31.823 0.042 0.000 0.708 124 V HN 0.485 nan 8.190 nan 0.000 0.490 125 E N -0.208 119.929 120.200 -0.104 0.000 2.479 125 E HA 0.193 4.543 4.350 -0.000 0.000 0.193 125 E C 0.554 177.081 176.600 -0.122 0.000 1.049 125 E CA -0.283 56.065 56.400 -0.087 0.000 0.870 125 E CB 0.036 29.708 29.700 -0.046 0.000 0.944 125 E HN 0.459 nan 8.360 nan 0.000 0.492 126 M N 1.119 120.595 119.600 -0.207 0.000 2.238 126 M HA 0.095 4.575 4.480 -0.000 0.000 0.347 126 M C 0.379 176.579 176.300 -0.168 0.000 1.173 126 M CA 0.184 55.362 55.300 -0.203 0.000 1.147 126 M CB 1.013 33.425 32.600 -0.313 0.000 1.547 126 M HN -0.156 nan 8.290 nan 0.000 0.455 127 S N 1.510 117.143 115.700 -0.112 0.000 2.489 127 S HA 0.512 4.982 4.470 -0.000 0.000 0.291 127 S C 0.617 175.172 174.600 -0.075 0.000 1.151 127 S CA -0.868 57.281 58.200 -0.084 0.000 1.082 127 S CB 0.812 63.978 63.200 -0.056 0.000 1.019 127 S HN 0.568 nan 8.310 nan 0.000 0.492 128 V N 1.286 121.162 119.914 -0.065 0.000 3.542 128 V HA 0.472 4.592 4.120 -0.000 0.000 0.296 128 V C 0.251 176.328 176.094 -0.029 0.000 1.364 128 V CA -0.335 61.938 62.300 -0.046 0.000 1.118 128 V CB -0.381 31.415 31.823 -0.044 0.000 0.972 128 V HN 0.660 nan 8.190 nan 0.000 0.430 129 E N 2.468 122.652 120.200 -0.027 0.000 2.351 129 E HA 0.276 4.626 4.350 -0.000 0.000 0.266 129 E C -0.384 176.211 176.600 -0.009 0.000 1.031 129 E CA 0.576 56.966 56.400 -0.017 0.000 0.911 129 E CB 0.804 30.494 29.700 -0.016 0.000 0.986 129 E HN 0.674 nan 8.360 nan 0.000 0.446 130 Q N 2.657 122.454 119.800 -0.004 0.000 2.464 130 Q HA 0.295 4.635 4.340 -0.000 0.000 0.256 130 Q C -0.633 175.372 176.000 0.008 0.000 1.020 130 Q CA -0.213 55.592 55.803 0.004 0.000 0.716 130 Q CB 1.711 30.450 28.738 0.002 0.000 1.230 130 Q HN 0.398 nan 8.270 nan 0.000 0.494 131 E N 2.432 122.641 120.200 0.015 0.000 2.222 131 E HA 0.393 4.743 4.350 -0.000 0.000 0.267 131 E C -0.994 175.627 176.600 0.035 0.000 0.884 131 E CA -0.770 55.642 56.400 0.020 0.000 0.764 131 E CB 2.042 31.753 29.700 0.018 0.000 1.169 131 E HN 0.531 nan 8.360 nan 0.000 0.413 132 I N 4.222 124.814 120.570 0.037 0.000 2.648 132 I HA 0.013 4.183 4.170 -0.000 0.000 0.284 132 I C -0.828 175.330 176.117 0.067 0.000 1.153 132 I CA -0.124 61.207 61.300 0.053 0.000 1.426 132 I CB 0.414 38.443 38.000 0.048 0.000 1.381 132 I HN 0.415 nan 8.210 nan 0.000 0.571 133 L N 9.096 130.375 121.223 0.093 0.000 2.301 133 L HA 0.381 4.721 4.340 -0.000 0.000 0.278 133 L C -0.787 176.137 176.870 0.090 0.000 1.022 133 L CA -0.340 54.563 54.840 0.105 0.000 0.854 133 L CB 1.090 43.234 42.059 0.143 0.000 1.226 133 L HN 0.322 nan 8.230 nan 0.000 0.429 134 V N 4.523 124.475 119.914 0.064 0.000 2.521 134 V HA 0.146 4.266 4.120 -0.000 0.000 0.286 134 V C 1.502 177.613 176.094 0.028 0.000 1.034 134 V CA 0.737 63.060 62.300 0.038 0.000 1.045 134 V CB 0.813 32.661 31.823 0.041 0.000 0.974 134 V HN 0.937 nan 8.190 nan 0.000 0.480 135 T N 0.307 114.852 114.554 -0.014 0.000 3.037 135 T HA 0.245 4.595 4.350 -0.000 0.000 0.252 135 T C 1.496 176.176 174.700 -0.033 0.000 1.073 135 T CA 0.719 62.808 62.100 -0.019 0.000 1.091 135 T CB 0.408 69.226 68.868 -0.084 0.000 0.935 135 T HN 1.440 nan 8.240 nan 0.000 0.488 136 G N 1.708 110.492 108.800 -0.027 0.000 2.179 136 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.260 136 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.260 136 G C 0.029 174.918 174.900 -0.019 0.000 0.977 136 G CA 0.173 45.261 45.100 -0.020 0.000 0.641 136 G HN 0.672 nan 8.290 nan 0.000 0.533 137 I N 1.032 121.583 120.570 -0.031 0.000 2.312 137 I HA 0.230 4.400 4.170 -0.000 0.000 0.291 137 I C 1.647 177.766 176.117 0.004 0.000 1.031 137 I CA -0.684 60.631 61.300 0.025 0.000 1.293 137 I CB 1.194 39.218 38.000 0.041 0.000 1.403 137 I HN -0.001 nan 8.210 nan 0.000 0.484 138 K N 3.914 124.326 120.400 0.019 0.000 2.020 138 K HA -0.195 4.125 4.320 -0.000 0.000 0.212 138 K C 1.873 178.441 176.600 -0.053 0.000 1.050 138 K CA 1.854 58.142 56.287 0.001 0.000 0.929 138 K CB -0.266 32.239 32.500 0.009 0.000 0.714 138 K HN 0.671 nan 8.250 nan 0.000 0.443 139 V N -0.239 119.652 119.914 -0.038 0.000 2.332 139 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 139 V C 2.286 178.330 176.094 -0.083 0.000 1.055 139 V CA 1.739 63.994 62.300 -0.075 0.000 1.038 139 V CB -1.023 30.794 31.823 -0.010 0.000 0.651 139 V HN 0.035 nan 8.190 nan 0.000 0.450 140 V N 0.863 120.727 119.914 -0.084 0.000 2.244 140 V HA -0.194 3.926 4.120 -0.000 0.000 0.244 140 V C 2.522 178.520 176.094 -0.159 0.000 1.042 140 V CA 2.389 64.583 62.300 -0.178 0.000 1.006 140 V CB -0.875 30.719 31.823 -0.382 0.000 0.641 140 V HN 0.472 nan 8.190 nan 0.000 0.446 141 D N -0.121 120.204 120.400 -0.125 0.000 2.149 141 D HA -0.161 4.479 4.640 -0.000 0.000 0.198 141 D C 1.897 178.228 176.300 0.052 0.000 0.990 141 D CA 1.216 55.194 54.000 -0.037 0.000 0.839 141 D CB -0.231 40.553 40.800 -0.026 0.000 0.948 141 D HN 0.334 nan 8.370 nan 0.000 0.460 142 L N -0.290 120.904 121.223 -0.049 0.000 2.023 142 L HA -0.017 4.323 4.340 -0.000 0.000 0.205 142 L C 2.055 178.963 176.870 0.063 0.000 1.073 142 L CA 1.372 56.157 54.840 -0.092 0.000 0.745 142 L CB -0.084 41.775 42.059 -0.333 0.000 0.900 142 L HN -0.017 nan 8.230 nan 0.000 0.435 143 L N -1.339 119.864 121.223 -0.034 0.000 2.388 143 L HA 0.314 4.654 4.340 -0.000 0.000 0.209 143 L C 0.768 177.643 176.870 0.008 0.000 1.061 143 L CA 0.478 55.298 54.840 -0.033 0.000 0.834 143 L CB -0.088 41.920 42.059 -0.084 0.000 1.029 143 L HN 0.219 nan 8.230 nan 0.000 0.473 144 A N 0.667 123.496 122.820 0.015 0.000 3.370 144 A HA 0.452 4.772 4.320 -0.000 0.000 0.295 144 A C -2.616 174.995 177.584 0.046 0.000 1.030 144 A CA -0.972 51.096 52.037 0.052 0.000 0.883 144 A CB -0.223 18.831 19.000 0.090 0.000 1.191 144 A HN -0.142 nan 8.150 nan 0.000 0.507 145 P HA 0.084 nan 4.420 nan 0.000 0.269 145 P C -0.528 176.859 177.300 0.145 0.000 1.209 145 P CA 0.518 63.621 63.100 0.005 0.000 0.776 145 P CB 0.379 32.094 31.700 0.025 0.000 0.876 146 Y N 0.344 120.674 120.300 0.050 0.000 2.300 146 Y HA 0.439 4.989 4.550 -0.000 0.000 0.328 146 Y C 1.140 177.057 175.900 0.028 0.000 1.270 146 Y CA -1.246 56.877 58.100 0.039 0.000 1.352 146 Y CB 0.897 39.381 38.460 0.040 0.000 1.286 146 Y HN 0.386 nan 8.280 nan 0.000 0.536 147 A N 2.262 125.193 122.820 0.186 0.000 2.355 147 A HA 0.452 4.772 4.320 -0.000 0.000 0.324 147 A C -0.966 176.659 177.584 0.069 0.000 1.117 147 A CA -1.131 50.965 52.037 0.098 0.000 0.785 147 A CB 0.882 19.918 19.000 0.061 0.000 1.254 147 A HN 0.754 nan 8.150 nan 0.000 0.453 148 K N 0.606 121.041 120.400 0.057 0.000 2.451 148 K HA 0.356 4.676 4.320 -0.000 0.000 0.280 148 K C 1.135 177.745 176.600 0.018 0.000 1.020 148 K CA 1.173 57.487 56.287 0.044 0.000 1.008 148 K CB 0.341 32.869 32.500 0.047 0.000 0.917 148 K HN 1.520 nan 8.250 nan 0.000 0.478 149 G N 2.004 110.805 108.800 0.002 0.000 2.166 149 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.260 149 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.260 149 G C 0.447 175.325 174.900 -0.037 0.000 0.986 149 G CA 0.138 45.226 45.100 -0.020 0.000 0.683 149 G HN 0.850 nan 8.290 nan 0.000 0.527 150 G N -0.726 108.051 108.800 -0.038 0.000 2.477 150 G HA2 0.573 4.533 3.960 -0.000 0.000 0.304 150 G HA3 0.573 4.533 3.960 -0.000 0.000 0.304 150 G C -0.114 174.732 174.900 -0.089 0.000 1.175 150 G CA -0.737 44.337 45.100 -0.044 0.000 0.907 150 G HN 0.342 nan 8.290 nan 0.000 0.509 151 K N 0.543 120.897 120.400 -0.076 0.000 2.253 151 K HA 0.358 4.678 4.320 -0.000 0.000 0.277 151 K C -0.733 175.792 176.600 -0.126 0.000 1.053 151 K CA -0.082 56.143 56.287 -0.103 0.000 0.892 151 K CB 1.479 33.945 32.500 -0.056 0.000 1.102 151 K HN 0.257 nan 8.250 nan 0.000 0.469 152 I N 1.500 121.938 120.570 -0.220 0.000 2.404 152 I HA 0.322 4.491 4.170 -0.000 0.000 0.293 152 I C 0.416 176.396 176.117 -0.228 0.000 0.992 152 I CA -0.512 60.602 61.300 -0.310 0.000 1.149 152 I CB 2.071 39.674 38.000 -0.662 0.000 1.315 152 I HN 0.586 nan 8.210 nan 0.000 0.446 153 G N 6.652 115.369 108.800 -0.139 0.000 2.530 153 G HA2 0.712 4.672 3.960 -0.000 0.000 0.316 153 G HA3 0.712 4.672 3.960 -0.000 0.000 0.316 153 G C -1.003 173.834 174.900 -0.104 0.000 1.298 153 G CA -0.536 44.447 45.100 -0.195 0.000 0.948 153 G HN 0.455 nan 8.290 nan 0.000 0.486 154 L N 2.232 123.345 121.223 -0.184 0.000 2.301 154 L HA 0.432 4.772 4.340 -0.000 0.000 0.278 154 L C -0.855 175.947 176.870 -0.113 0.000 1.022 154 L CA -0.614 54.215 54.840 -0.018 0.000 0.854 154 L CB 0.799 42.887 42.059 0.047 0.000 1.226 154 L HN 0.320 nan 8.230 nan 0.000 0.429 155 F N 1.418 121.359 119.950 -0.014 0.000 2.396 155 F HA 0.719 5.246 4.527 -0.000 0.000 0.343 155 F C 1.009 176.798 175.800 -0.019 0.000 1.104 155 F CA -0.272 57.697 58.000 -0.051 0.000 1.161 155 F CB 1.867 40.820 39.000 -0.078 0.000 1.146 155 F HN 0.437 nan 8.300 nan 0.000 0.522 156 G N 1.183 110.040 108.800 0.095 0.000 2.733 156 G HA2 0.487 4.447 3.960 -0.000 0.000 0.297 156 G HA3 0.487 4.447 3.960 -0.000 0.000 0.297 156 G C -0.628 174.194 174.900 -0.129 0.000 1.452 156 G CA -0.492 44.624 45.100 0.027 0.000 0.940 156 G HN 0.923 nan 8.290 nan 0.000 0.547 157 G N -0.218 108.495 108.800 -0.146 0.000 2.683 157 G HA2 0.628 4.588 3.960 -0.000 0.000 0.260 157 G HA3 0.628 4.588 3.960 -0.000 0.000 0.260 157 G C 0.827 175.658 174.900 -0.115 0.000 1.238 157 G CA 0.366 45.304 45.100 -0.269 0.000 0.934 157 G HN 1.696 nan 8.290 nan 0.000 0.534 158 A N -1.043 121.765 122.820 -0.020 0.000 2.545 158 A HA 0.500 4.820 4.320 -0.000 0.000 0.253 158 A C 1.591 179.241 177.584 0.109 0.000 1.074 158 A CA 1.173 53.332 52.037 0.204 0.000 0.760 158 A CB -0.754 18.393 19.000 0.246 0.000 1.005 158 A HN 2.579 nan 8.150 nan 0.000 0.506 159 G N 1.306 110.173 108.800 0.112 0.000 2.143 159 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.249 159 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.249 159 G C 0.652 175.592 174.900 0.067 0.000 0.981 159 G CA 0.427 45.567 45.100 0.067 0.000 0.665 159 G HN 1.261 nan 8.290 nan 0.000 0.528 160 V N -0.623 119.341 119.914 0.084 0.000 2.878 160 V HA 0.490 4.610 4.120 -0.000 0.000 0.250 160 V C 2.113 178.304 176.094 0.161 0.000 1.075 160 V CA 1.914 64.282 62.300 0.113 0.000 1.096 160 V CB 0.146 32.013 31.823 0.073 0.000 0.724 160 V HN 1.868 nan 8.190 nan 0.000 0.467 161 G N -0.285 108.586 108.800 0.119 0.000 2.407 161 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.210 161 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.210 161 G C 0.617 175.600 174.900 0.139 0.000 1.015 161 G CA 0.135 45.307 45.100 0.120 0.000 0.807 161 G HN 0.322 nan 8.290 nan 0.000 0.539 162 K N -0.025 120.452 120.400 0.127 0.000 2.009 162 K HA -0.063 4.257 4.320 -0.000 0.000 0.210 162 K C 2.493 179.179 176.600 0.142 0.000 1.049 162 K CA 2.008 58.374 56.287 0.132 0.000 0.929 162 K CB -0.221 32.349 32.500 0.117 0.000 0.714 162 K HN 0.259 nan 8.250 nan 0.000 0.440 163 T N 1.018 115.651 114.554 0.133 0.000 2.812 163 T HA -0.070 4.280 4.350 -0.000 0.000 0.264 163 T C 2.054 176.833 174.700 0.132 0.000 1.042 163 T CA 0.874 63.057 62.100 0.139 0.000 1.140 163 T CB -0.132 68.814 68.868 0.131 0.000 0.870 163 T HN -0.070 nan 8.240 nan 0.000 0.445 164 V N 1.746 121.736 119.914 0.127 0.000 2.332 164 V HA -0.136 3.984 4.120 -0.000 0.000 0.248 164 V C 2.394 178.624 176.094 0.226 0.000 1.055 164 V CA 1.369 63.766 62.300 0.161 0.000 1.038 164 V CB -0.626 31.277 31.823 0.134 0.000 0.651 164 V HN 0.326 nan 8.190 nan 0.000 0.450 165 L N -0.249 121.126 121.223 0.253 0.000 2.027 165 L HA -0.090 4.250 4.340 -0.000 0.000 0.206 165 L C 2.123 179.092 176.870 0.164 0.000 1.074 165 L CA 1.773 56.786 54.840 0.288 0.000 0.745 165 L CB -0.587 41.656 42.059 0.307 0.000 0.898 165 L HN 0.254 nan 8.230 nan 0.000 0.433 166 I N -1.199 119.464 120.570 0.154 0.000 2.361 166 I HA -0.303 3.867 4.170 -0.000 0.000 0.251 166 I C 2.040 178.166 176.117 0.015 0.000 1.133 166 I CA 0.968 62.348 61.300 0.134 0.000 1.413 166 I CB 0.057 38.171 38.000 0.190 0.000 1.073 166 I HN 0.307 nan 8.210 nan 0.000 0.424 167 M N -0.372 119.238 119.600 0.017 0.000 2.200 167 M HA -0.172 4.308 4.480 -0.000 0.000 0.265 167 M C 2.114 178.362 176.300 -0.087 0.000 1.066 167 M CA 1.439 56.705 55.300 -0.057 0.000 1.127 167 M CB -1.350 31.243 32.600 -0.010 0.000 1.379 167 M HN 0.146 nan 8.290 nan 0.000 0.420 168 E N 0.763 120.916 120.200 -0.078 0.000 2.106 168 E HA -0.081 4.269 4.350 -0.000 0.000 0.192 168 E C 2.042 178.531 176.600 -0.185 0.000 0.984 168 E CA 1.049 57.319 56.400 -0.217 0.000 0.806 168 E CB -0.247 29.108 29.700 -0.573 0.000 0.750 168 E HN 0.475 nan 8.360 nan 0.000 0.458 169 L N -0.135 121.036 121.223 -0.087 0.000 2.056 169 L HA -0.107 4.233 4.340 -0.000 0.000 0.207 169 L C 2.373 179.245 176.870 0.003 0.000 1.078 169 L CA 0.878 55.734 54.840 0.026 0.000 0.749 169 L CB -0.345 41.830 42.059 0.193 0.000 0.901 169 L HN 0.194 nan 8.230 nan 0.000 0.433 170 I N 0.138 120.595 120.570 -0.188 0.000 2.264 170 I HA -0.321 3.849 4.170 -0.000 0.000 0.248 170 I C 2.248 178.288 176.117 -0.128 0.000 1.111 170 I CA 1.472 62.583 61.300 -0.316 0.000 1.382 170 I CB -0.340 37.340 38.000 -0.533 0.000 1.060 170 I HN 0.347 nan 8.210 nan 0.000 0.418 171 N N 0.764 119.397 118.700 -0.111 0.000 2.216 171 N HA -0.144 4.596 4.740 -0.000 0.000 0.183 171 N C 1.527 177.008 175.510 -0.047 0.000 1.017 171 N CA 1.358 54.362 53.050 -0.077 0.000 0.861 171 N CB 0.050 38.484 38.487 -0.088 0.000 0.986 171 N HN 0.184 nan 8.380 nan 0.000 0.428 172 N N -1.122 117.550 118.700 -0.046 0.000 2.409 172 N HA 0.061 4.801 4.740 -0.000 0.000 0.174 172 N C 1.217 176.747 175.510 0.032 0.000 1.037 172 N CA 0.460 53.496 53.050 -0.023 0.000 0.898 172 N CB 0.304 38.757 38.487 -0.057 0.000 1.010 172 N HN 0.079 nan 8.380 nan 0.000 0.445 173 V N 0.215 120.172 119.914 0.073 0.000 2.690 173 V HA 0.210 4.330 4.120 -0.000 0.000 0.240 173 V C 2.163 178.344 176.094 0.144 0.000 1.078 173 V CA 1.171 63.547 62.300 0.127 0.000 1.102 173 V CB -0.705 31.229 31.823 0.185 0.000 0.800 173 V HN 0.173 nan 8.190 nan 0.000 0.479 174 A N 0.443 123.346 122.820 0.138 0.000 1.933 174 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 174 A C 2.159 179.819 177.584 0.126 0.000 1.175 174 A CA 2.147 54.269 52.037 0.141 0.000 0.628 174 A CB -0.399 18.668 19.000 0.110 0.000 0.814 174 A HN 0.492 nan 8.150 nan 0.000 0.444 175 K N 0.015 120.460 120.400 0.074 0.000 2.103 175 K HA 0.134 4.454 4.320 -0.000 0.000 0.204 175 K C 2.015 178.646 176.600 0.052 0.000 1.052 175 K CA 1.185 57.501 56.287 0.048 0.000 0.945 175 K CB -0.369 32.143 32.500 0.020 0.000 0.722 175 K HN 0.404 nan 8.250 nan 0.000 0.443 176 A N 0.574 123.434 122.820 0.066 0.000 2.119 176 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 176 A C 0.650 178.276 177.584 0.070 0.000 1.153 176 A CA 0.513 52.583 52.037 0.056 0.000 0.692 176 A CB -0.548 18.485 19.000 0.055 0.000 0.799 176 A HN 0.322 nan 8.150 nan 0.000 0.458 177 H N 0.058 119.132 119.070 0.007 0.000 2.582 177 H HA 0.405 4.961 4.556 -0.000 0.000 0.345 177 H C -0.127 175.179 175.328 -0.037 0.000 1.104 177 H CA 0.562 56.607 56.048 -0.005 0.000 1.390 177 H CB 1.140 30.912 29.762 0.017 0.000 1.461 177 H HN 0.096 nan 8.280 nan 0.000 0.551 178 G N 2.550 111.007 108.800 -0.573 0.000 3.102 178 G HA2 0.510 4.470 3.960 -0.000 0.000 0.345 178 G HA3 0.510 4.470 3.960 -0.000 0.000 0.345 178 G C 0.016 174.613 174.900 -0.505 0.000 1.200 178 G CA 0.259 45.122 45.100 -0.395 0.000 1.163 178 G HN 0.888 nan 8.290 nan 0.000 0.465 179 G N 0.671 109.301 108.800 -0.283 0.000 2.392 179 G HA2 0.399 4.359 3.960 -0.000 0.000 0.260 179 G HA3 0.399 4.359 3.960 -0.000 0.000 0.260 179 G C -1.616 173.098 174.900 -0.310 0.000 1.226 179 G CA -0.817 44.103 45.100 -0.299 0.000 0.913 179 G HN 0.312 nan 8.290 nan 0.000 0.483 180 Y N 0.097 120.400 120.300 0.005 0.000 2.496 180 Y HA 0.722 5.272 4.550 -0.000 0.000 0.331 180 Y C 0.606 176.440 175.900 -0.109 0.000 1.140 180 Y CA -0.612 57.385 58.100 -0.172 0.000 1.166 180 Y CB 2.457 40.556 38.460 -0.601 0.000 1.249 180 Y HN 0.429 nan 8.280 nan 0.000 0.479 181 S N 0.882 116.642 115.700 0.099 0.000 2.536 181 S HA 0.704 5.173 4.470 -0.000 0.000 0.298 181 S C -1.236 173.447 174.600 0.138 0.000 1.083 181 S CA -0.813 57.457 58.200 0.118 0.000 0.995 181 S CB 1.870 65.205 63.200 0.225 0.000 1.058 181 S HN 0.325 nan 8.310 nan 0.000 0.488 182 V N 2.866 122.875 119.914 0.158 0.000 2.531 182 V HA 0.481 4.601 4.120 -0.000 0.000 0.301 182 V C -1.232 174.990 176.094 0.215 0.000 1.034 182 V CA -0.634 61.767 62.300 0.168 0.000 0.865 182 V CB 1.269 33.168 31.823 0.126 0.000 0.995 182 V HN 0.859 nan 8.190 nan 0.000 0.424 183 F N 4.250 124.249 119.950 0.081 0.000 2.411 183 F HA 0.765 5.292 4.527 -0.000 0.000 0.352 183 F C 0.378 176.085 175.800 -0.155 0.000 1.123 183 F CA -0.478 57.540 58.000 0.031 0.000 1.044 183 F CB 1.177 40.196 39.000 0.031 0.000 1.135 183 F HN 0.552 nan 8.300 nan 0.000 0.461 184 A N 4.795 127.286 122.820 -0.548 0.000 2.256 184 A HA 0.615 4.935 4.320 -0.000 0.000 0.317 184 A C 0.081 177.283 177.584 -0.636 0.000 1.318 184 A CA -0.344 51.403 52.037 -0.484 0.000 0.894 184 A CB 0.134 18.946 19.000 -0.313 0.000 1.165 184 A HN 0.983 nan 8.150 nan 0.000 0.525 185 G N 1.211 109.648 108.800 -0.604 0.000 2.338 185 G HA2 0.497 4.457 3.960 -0.000 0.000 0.295 185 G HA3 0.497 4.457 3.960 -0.000 0.000 0.295 185 G C -0.609 174.253 174.900 -0.063 0.000 1.132 185 G CA -0.131 44.843 45.100 -0.210 0.000 0.922 185 G HN 0.762 nan 8.290 nan 0.000 0.427 186 V N 2.651 122.555 119.914 -0.017 0.000 2.380 186 V HA 0.590 4.710 4.120 -0.000 0.000 0.286 186 V C 1.012 177.140 176.094 0.056 0.000 1.015 186 V CA 0.174 62.480 62.300 0.011 0.000 0.834 186 V CB 0.840 32.651 31.823 -0.020 0.000 1.009 186 V HN 1.415 nan 8.190 nan 0.000 0.428 187 G N 3.237 112.077 108.800 0.068 0.000 2.225 187 G HA2 -0.192 3.767 3.960 -0.000 0.000 0.267 187 G HA3 -0.192 3.767 3.960 -0.000 0.000 0.267 187 G C 0.171 175.112 174.900 0.068 0.000 1.024 187 G CA 0.572 45.706 45.100 0.057 0.000 0.784 187 G HN 0.579 nan 8.290 nan 0.000 0.507 188 E N -0.734 119.530 120.200 0.107 0.000 2.672 188 E HA 0.466 4.816 4.350 -0.000 0.000 0.235 188 E C 0.866 177.533 176.600 0.111 0.000 0.906 188 E CA -0.947 55.520 56.400 0.112 0.000 0.973 188 E CB 0.503 30.297 29.700 0.157 0.000 1.478 188 E HN 0.378 nan 8.360 nan 0.000 0.430 189 R N 0.397 120.963 120.500 0.110 0.000 2.316 189 R HA 0.196 4.536 4.340 -0.000 0.000 0.314 189 R C 1.123 177.467 176.300 0.074 0.000 1.069 189 R CA 0.061 56.208 56.100 0.078 0.000 0.959 189 R CB 0.292 30.632 30.300 0.066 0.000 0.987 189 R HN 0.400 nan 8.270 nan 0.000 0.446 190 T N 3.047 117.624 114.554 0.039 0.000 2.720 190 T HA -0.206 4.144 4.350 -0.000 0.000 0.268 190 T C 1.720 176.395 174.700 -0.041 0.000 1.037 190 T CA 1.916 64.007 62.100 -0.015 0.000 1.144 190 T CB -0.098 68.759 68.868 -0.018 0.000 0.864 190 T HN 0.595 nan 8.240 nan 0.000 0.444 191 R N 1.908 122.406 120.500 -0.004 0.000 2.148 191 R HA 0.034 4.374 4.340 -0.000 0.000 0.227 191 R C 1.867 178.173 176.300 0.009 0.000 1.103 191 R CA 1.475 57.577 56.100 0.003 0.000 0.983 191 R CB -0.645 29.665 30.300 0.017 0.000 0.874 191 R HN 0.398 nan 8.270 nan 0.000 0.451 192 E N 0.365 120.580 120.200 0.026 0.000 2.106 192 E HA -0.067 4.283 4.350 -0.000 0.000 0.192 192 E C 2.063 178.663 176.600 0.000 0.000 0.984 192 E CA 1.112 57.536 56.400 0.040 0.000 0.806 192 E CB -0.229 29.527 29.700 0.094 0.000 0.750 192 E HN 0.659 nan 8.360 nan 0.000 0.458 193 G N 1.215 109.969 108.800 -0.077 0.000 2.402 193 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.216 193 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.216 193 G C 1.412 176.172 174.900 -0.234 0.000 1.162 193 G CA 0.998 45.882 45.100 -0.360 0.000 0.777 193 G HN 0.192 nan 8.290 nan 0.000 0.539 194 N N 0.691 119.321 118.700 -0.118 0.000 2.069 194 N HA -0.121 4.619 4.740 -0.000 0.000 0.191 194 N C 1.753 177.361 175.510 0.163 0.000 1.031 194 N CA 1.732 54.820 53.050 0.064 0.000 0.852 194 N CB -0.123 38.417 38.487 0.088 0.000 1.018 194 N HN 0.144 nan 8.380 nan 0.000 0.423 195 D N 0.019 120.462 120.400 0.073 0.000 2.092 195 D HA -0.162 4.478 4.640 -0.000 0.000 0.193 195 D C 1.919 178.238 176.300 0.030 0.000 0.994 195 D CA 0.757 54.792 54.000 0.059 0.000 0.828 195 D CB -0.560 40.255 40.800 0.026 0.000 0.963 195 D HN 0.254 nan 8.370 nan 0.000 0.450 196 L N 0.161 121.371 121.223 -0.021 0.000 1.994 196 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 196 L C 2.259 179.112 176.870 -0.027 0.000 1.071 196 L CA 1.561 56.355 54.840 -0.077 0.000 0.745 196 L CB -1.202 40.741 42.059 -0.194 0.000 0.892 196 L HN 0.024 nan 8.230 nan 0.000 0.431 197 Y N 0.378 120.587 120.300 -0.152 0.000 2.053 197 Y HA -0.350 4.200 4.550 -0.000 0.000 0.277 197 Y C 2.714 178.482 175.900 -0.220 0.000 1.159 197 Y CA 2.511 60.486 58.100 -0.208 0.000 1.125 197 Y CB -0.797 37.467 38.460 -0.327 0.000 0.969 197 Y HN 0.496 nan 8.280 nan 0.000 0.492 198 H N -1.138 117.849 119.070 -0.138 0.000 2.428 198 H HA -0.055 4.500 4.556 -0.000 0.000 0.296 198 H C 2.168 177.397 175.328 -0.165 0.000 1.062 198 H CA 1.321 57.238 56.048 -0.218 0.000 1.350 198 H CB -0.012 29.692 29.762 -0.097 0.000 1.403 198 H HN 0.445 nan 8.280 nan 0.000 0.533 199 E N 0.332 120.524 120.200 -0.014 0.000 2.106 199 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 199 E C 1.794 178.349 176.600 -0.075 0.000 0.984 199 E CA 0.811 57.187 56.400 -0.040 0.000 0.806 199 E CB 0.088 29.766 29.700 -0.038 0.000 0.750 199 E HN 0.433 nan 8.360 nan 0.000 0.458 200 M N -0.181 119.355 119.600 -0.107 0.000 2.254 200 M HA -0.087 4.393 4.480 -0.000 0.000 0.265 200 M C 1.996 178.216 176.300 -0.134 0.000 1.066 200 M CA 0.983 56.219 55.300 -0.106 0.000 1.123 200 M CB -0.005 32.543 32.600 -0.086 0.000 1.388 200 M HN 0.186 nan 8.290 nan 0.000 0.425 201 I N -0.120 120.320 120.570 -0.217 0.000 2.252 201 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 201 I C 2.441 178.495 176.117 -0.105 0.000 1.102 201 I CA 1.345 62.525 61.300 -0.200 0.000 1.385 201 I CB -0.369 37.452 38.000 -0.298 0.000 1.064 201 I HN 0.345 nan 8.210 nan 0.000 0.414 202 E N 0.845 120.997 120.200 -0.081 0.000 2.077 202 E HA -0.242 4.108 4.350 -0.000 0.000 0.193 202 E C 2.247 178.820 176.600 -0.045 0.000 0.989 202 E CA 1.806 58.176 56.400 -0.051 0.000 0.800 202 E CB 0.058 29.735 29.700 -0.039 0.000 0.746 202 E HN 0.506 nan 8.360 nan 0.000 0.452 203 S N -1.378 114.293 115.700 -0.048 0.000 2.436 203 S HA 0.083 4.553 4.470 -0.000 0.000 0.228 203 S C 1.632 176.212 174.600 -0.033 0.000 1.014 203 S CA 0.826 59.003 58.200 -0.038 0.000 0.950 203 S CB 0.390 63.566 63.200 -0.039 0.000 0.784 203 S HN 0.520 nan 8.310 nan 0.000 0.504 204 G N 0.431 109.206 108.800 -0.041 0.000 2.176 204 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.232 204 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.232 204 G C 0.823 175.711 174.900 -0.020 0.000 0.986 204 G CA 0.497 45.579 45.100 -0.031 0.000 0.643 204 G HN 1.430 nan 8.290 nan 0.000 0.522 205 V N -1.247 118.654 119.914 -0.022 0.000 2.970 205 V HA 0.433 4.553 4.120 -0.000 0.000 0.260 205 V C 1.176 177.273 176.094 0.006 0.000 1.100 205 V CA 1.377 63.676 62.300 -0.003 0.000 1.122 205 V CB -0.157 31.665 31.823 -0.001 0.000 0.721 205 V HN 0.457 nan 8.190 nan 0.000 0.483 206 I N 2.256 122.813 120.570 -0.021 0.000 2.362 206 I HA 0.448 4.618 4.170 -0.000 0.000 0.289 206 I C -0.524 175.573 176.117 -0.034 0.000 0.994 206 I CA -0.267 61.023 61.300 -0.017 0.000 1.158 206 I CB 1.448 39.423 38.000 -0.042 0.000 1.315 206 I HN 0.146 nan 8.210 nan 0.000 0.451 207 N N 6.806 125.503 118.700 -0.006 0.000 2.407 207 N HA 0.368 5.108 4.740 -0.000 0.000 0.277 207 N C 0.197 175.709 175.510 0.003 0.000 0.995 207 N CA -0.404 52.642 53.050 -0.007 0.000 0.903 207 N CB 1.941 40.431 38.487 0.005 0.000 1.218 207 N HN 0.572 nan 8.380 nan 0.000 0.487 208 L N 2.405 123.624 121.223 -0.006 0.000 2.509 208 L HA 0.151 4.491 4.340 -0.000 0.000 0.222 208 L C 1.699 178.578 176.870 0.015 0.000 1.123 208 L CA 0.495 55.341 54.840 0.011 0.000 0.856 208 L CB 0.089 42.151 42.059 0.005 0.000 0.985 208 L HN 0.324 nan 8.230 nan 0.000 0.456 209 K N -1.140 119.266 120.400 0.009 0.000 2.367 209 K HA 0.205 4.525 4.320 -0.000 0.000 0.195 209 K C -0.070 176.537 176.600 0.013 0.000 1.060 209 K CA 0.268 56.561 56.287 0.010 0.000 1.022 209 K CB 0.747 33.251 32.500 0.006 0.000 0.894 209 K HN 0.097 nan 8.250 nan 0.000 0.540 210 D N -1.049 119.360 120.400 0.015 0.000 2.592 210 D HA 0.370 5.010 4.640 -0.000 0.000 0.263 210 D C -0.887 175.428 176.300 0.025 0.000 1.132 210 D CA -0.511 53.500 54.000 0.018 0.000 0.996 210 D CB 1.933 42.742 40.800 0.016 0.000 1.442 210 D HN -0.101 nan 8.370 nan 0.000 0.486 211 A N 0.100 122.938 122.820 0.029 0.000 2.476 211 A HA 0.159 4.479 4.320 -0.000 0.000 0.263 211 A C 1.114 178.728 177.584 0.051 0.000 1.342 211 A CA 0.492 52.551 52.037 0.037 0.000 0.926 211 A CB -0.799 18.223 19.000 0.037 0.000 1.019 211 A HN 0.447 nan 8.150 nan 0.000 0.515 212 T N -2.885 111.696 114.554 0.045 0.000 3.144 212 T HA 0.173 4.523 4.350 -0.000 0.000 0.249 212 T C 0.617 175.354 174.700 0.061 0.000 1.089 212 T CA 0.175 62.307 62.100 0.052 0.000 0.989 212 T CB -0.345 68.543 68.868 0.033 0.000 0.992 212 T HN 0.164 nan 8.240 nan 0.000 0.540 213 S N 2.029 117.766 115.700 0.062 0.000 2.562 213 S HA 0.250 4.720 4.470 -0.000 0.000 0.281 213 S C 0.933 175.595 174.600 0.105 0.000 1.333 213 S CA -0.573 57.666 58.200 0.066 0.000 1.052 213 S CB 0.782 64.017 63.200 0.059 0.000 0.884 213 S HN 0.274 nan 8.310 nan 0.000 0.506 214 K N 1.077 121.540 120.400 0.106 0.000 2.402 214 K HA 0.272 4.592 4.320 -0.000 0.000 0.204 214 K C -0.663 176.020 176.600 0.138 0.000 1.056 214 K CA 0.189 56.573 56.287 0.163 0.000 1.069 214 K CB 0.769 33.329 32.500 0.099 0.000 0.888 214 K HN 0.376 nan 8.250 nan 0.000 0.546 215 V N 0.944 120.917 119.914 0.098 0.000 2.709 215 V HA 0.575 4.695 4.120 -0.000 0.000 0.308 215 V C -0.762 175.397 176.094 0.108 0.000 1.062 215 V CA -1.315 61.049 62.300 0.107 0.000 0.901 215 V CB 1.837 33.729 31.823 0.114 0.000 1.003 215 V HN 0.116 nan 8.190 nan 0.000 0.425 216 A N 5.367 128.264 122.820 0.128 0.000 2.318 216 A HA 0.929 5.249 4.320 -0.000 0.000 0.324 216 A C -0.960 176.723 177.584 0.164 0.000 1.170 216 A CA -0.514 51.612 52.037 0.148 0.000 0.810 216 A CB 0.854 19.971 19.000 0.195 0.000 1.198 216 A HN 0.797 nan 8.150 nan 0.000 0.484 217 L N 2.489 123.808 121.223 0.160 0.000 2.329 217 L HA 0.694 5.034 4.340 -0.000 0.000 0.279 217 L C -0.937 176.005 176.870 0.121 0.000 1.014 217 L CA -0.930 54.021 54.840 0.185 0.000 0.814 217 L CB 1.960 44.207 42.059 0.314 0.000 1.257 217 L HN 0.416 nan 8.230 nan 0.000 0.424 218 V N 2.701 122.610 119.914 -0.009 0.000 2.577 218 V HA 0.477 4.597 4.120 -0.000 0.000 0.303 218 V C -1.325 174.656 176.094 -0.188 0.000 1.042 218 V CA -0.679 61.603 62.300 -0.030 0.000 0.872 218 V CB 1.890 33.681 31.823 -0.055 0.000 0.998 218 V HN 0.461 nan 8.190 nan 0.000 0.423 219 Y N 1.503 121.828 120.300 0.042 0.000 2.421 219 Y HA 0.747 5.297 4.550 -0.000 0.000 0.339 219 Y C 0.500 176.416 175.900 0.026 0.000 0.996 219 Y CA -0.630 57.499 58.100 0.048 0.000 1.046 219 Y CB 2.850 41.335 38.460 0.042 0.000 1.226 219 Y HN 0.735 nan 8.280 nan 0.000 0.445 220 G N 3.827 112.731 108.800 0.174 0.000 3.191 220 G HA2 0.353 4.313 3.960 -0.000 0.000 0.309 220 G HA3 0.353 4.313 3.960 -0.000 0.000 0.309 220 G C -1.042 173.925 174.900 0.111 0.000 1.596 220 G CA -0.535 44.631 45.100 0.111 0.000 0.955 220 G HN 0.310 nan 8.290 nan 0.000 0.508 221 Q N 1.167 121.043 119.800 0.126 0.000 2.173 221 Q HA 0.306 4.646 4.340 -0.000 0.000 0.186 221 Q C 2.007 178.046 176.000 0.065 0.000 1.018 221 Q CA -0.772 55.101 55.803 0.117 0.000 1.064 221 Q CB 0.670 29.486 28.738 0.130 0.000 1.130 221 Q HN 0.726 nan 8.270 nan 0.000 0.553 222 M N -1.082 118.551 119.600 0.055 0.000 2.659 222 M HA 0.018 4.498 4.480 -0.000 0.000 0.243 222 M C 0.668 176.981 176.300 0.022 0.000 1.111 222 M CA 1.363 56.681 55.300 0.030 0.000 1.070 222 M CB -0.694 31.920 32.600 0.023 0.000 1.525 222 M HN 0.525 nan 8.290 nan 0.000 0.517 223 N N -0.212 118.503 118.700 0.025 0.000 2.467 223 N HA 0.038 4.778 4.740 -0.000 0.000 0.184 223 N C -0.210 175.309 175.510 0.014 0.000 1.106 223 N CA -0.150 52.910 53.050 0.017 0.000 0.892 223 N CB 0.139 38.635 38.487 0.015 0.000 0.969 223 N HN 0.325 nan 8.380 nan 0.000 0.454 224 E N 1.777 121.988 120.200 0.018 0.000 2.283 224 E HA 0.277 4.627 4.350 -0.000 0.000 0.271 224 E C -2.202 174.400 176.600 0.004 0.000 1.031 224 E CA -2.131 54.278 56.400 0.014 0.000 0.868 224 E CB 0.966 30.679 29.700 0.022 0.000 1.094 224 E HN 0.184 nan 8.360 nan 0.000 0.401 225 P HA 0.100 nan 4.420 nan 0.000 0.274 225 P C -2.015 175.277 177.300 -0.015 0.000 1.246 225 P CA -1.186 61.910 63.100 -0.007 0.000 0.795 225 P CB 0.230 31.927 31.700 -0.005 0.000 1.006 226 P HA -0.135 nan 4.420 nan 0.000 0.218 226 P C 1.654 178.924 177.300 -0.050 0.000 1.149 226 P CA 1.675 64.749 63.100 -0.044 0.000 0.817 226 P CB -0.624 31.044 31.700 -0.052 0.000 0.785 227 G N 0.758 109.538 108.800 -0.033 0.000 2.440 227 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.218 227 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.218 227 G C 1.813 176.702 174.900 -0.018 0.000 1.154 227 G CA 1.140 46.224 45.100 -0.027 0.000 0.767 227 G HN 0.367 nan 8.290 nan 0.000 0.552 228 A N 0.605 123.420 122.820 -0.008 0.000 1.898 228 A HA 0.036 4.356 4.320 -0.000 0.000 0.216 228 A C 2.431 180.017 177.584 0.002 0.000 1.181 228 A CA 1.546 53.585 52.037 0.003 0.000 0.620 228 A CB -0.368 18.639 19.000 0.010 0.000 0.819 228 A HN 0.339 nan 8.150 nan 0.000 0.442 229 R N -0.681 119.813 120.500 -0.009 0.000 2.148 229 R HA -0.021 4.319 4.340 -0.000 0.000 0.227 229 R C 2.320 178.606 176.300 -0.023 0.000 1.103 229 R CA 1.003 57.097 56.100 -0.009 0.000 0.983 229 R CB -0.318 29.969 30.300 -0.023 0.000 0.874 229 R HN 0.522 nan 8.270 nan 0.000 0.451 230 A N 0.632 123.407 122.820 -0.075 0.000 1.968 230 A HA -0.051 4.269 4.320 -0.000 0.000 0.217 230 A C 1.839 179.412 177.584 -0.018 0.000 1.169 230 A CA 0.890 52.825 52.037 -0.169 0.000 0.638 230 A CB 0.039 18.893 19.000 -0.243 0.000 0.812 230 A HN 0.056 nan 8.150 nan 0.000 0.446 231 R N -0.367 120.143 120.500 0.017 0.000 2.237 231 R HA 0.033 4.373 4.340 -0.000 0.000 0.195 231 R C 2.038 178.355 176.300 0.028 0.000 0.956 231 R CA 1.223 57.346 56.100 0.038 0.000 1.029 231 R CB -1.016 29.293 30.300 0.014 0.000 0.972 231 R HN 0.573 nan 8.270 nan 0.000 0.493 232 V N -1.100 118.831 119.914 0.030 0.000 2.594 232 V HA -0.059 4.061 4.120 -0.000 0.000 0.253 232 V C 2.228 178.309 176.094 -0.021 0.000 1.069 232 V CA 1.728 64.031 62.300 0.004 0.000 1.082 232 V CB -0.959 30.870 31.823 0.010 0.000 0.680 232 V HN 0.112 nan 8.190 nan 0.000 0.469 233 A N 0.967 123.791 122.820 0.007 0.000 1.933 233 A HA -0.032 4.287 4.320 -0.000 0.000 0.218 233 A C 2.241 179.768 177.584 -0.094 0.000 1.175 233 A CA 2.128 54.127 52.037 -0.065 0.000 0.628 233 A CB -0.642 18.306 19.000 -0.087 0.000 0.814 233 A HN 0.609 nan 8.150 nan 0.000 0.444 234 L N -0.691 120.495 121.223 -0.061 0.000 2.046 234 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 234 L C 2.765 179.573 176.870 -0.105 0.000 1.077 234 L CA 1.759 56.535 54.840 -0.107 0.000 0.747 234 L CB -1.320 40.645 42.059 -0.157 0.000 0.896 234 L HN 0.355 nan 8.230 nan 0.000 0.432 235 T N 0.020 114.525 114.554 -0.081 0.000 2.684 235 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 235 T C 1.910 176.574 174.700 -0.059 0.000 1.036 235 T CA 1.496 63.559 62.100 -0.062 0.000 1.148 235 T CB -0.740 68.105 68.868 -0.038 0.000 0.863 235 T HN 0.561 nan 8.240 nan 0.000 0.436 236 G N 1.551 110.308 108.800 -0.072 0.000 2.446 236 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.217 236 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.217 236 G C 1.425 176.286 174.900 -0.065 0.000 1.168 236 G CA 0.618 45.672 45.100 -0.076 0.000 0.771 236 G HN 0.319 nan 8.290 nan 0.000 0.551 237 L N 1.057 122.228 121.223 -0.087 0.000 2.042 237 L HA -0.066 4.274 4.340 -0.000 0.000 0.210 237 L C 3.188 180.029 176.870 -0.049 0.000 1.076 237 L CA 2.089 56.881 54.840 -0.080 0.000 0.749 237 L CB -1.240 40.755 42.059 -0.106 0.000 0.893 237 L HN 0.186 nan 8.230 nan 0.000 0.432 238 T N -1.169 113.353 114.554 -0.053 0.000 2.720 238 T HA -0.160 4.190 4.350 -0.000 0.000 0.268 238 T C 2.064 176.742 174.700 -0.036 0.000 1.037 238 T CA 1.467 63.542 62.100 -0.041 0.000 1.144 238 T CB -0.340 68.499 68.868 -0.049 0.000 0.864 238 T HN 0.106 nan 8.240 nan 0.000 0.444 239 V N 1.666 121.556 119.914 -0.040 0.000 2.343 239 V HA -0.181 3.939 4.120 -0.000 0.000 0.247 239 V C 2.872 178.983 176.094 0.028 0.000 1.051 239 V CA 1.760 64.029 62.300 -0.052 0.000 1.036 239 V CB -1.182 30.644 31.823 0.006 0.000 0.654 239 V HN 0.543 nan 8.190 nan 0.000 0.451 240 A N -0.568 122.309 122.820 0.095 0.000 1.898 240 A HA -0.207 4.112 4.320 -0.000 0.000 0.216 240 A C 2.163 179.819 177.584 0.121 0.000 1.181 240 A CA 1.625 53.765 52.037 0.172 0.000 0.620 240 A CB -0.472 18.572 19.000 0.073 0.000 0.819 240 A HN 0.596 nan 8.150 nan 0.000 0.442 241 E N -1.502 118.723 120.200 0.040 0.000 2.097 241 E HA -0.260 4.090 4.350 -0.000 0.000 0.196 241 E C 1.803 178.403 176.600 0.000 0.000 1.000 241 E CA 1.660 58.068 56.400 0.014 0.000 0.804 241 E CB -0.346 29.351 29.700 -0.005 0.000 0.740 241 E HN 0.799 nan 8.360 nan 0.000 0.454 242 Y N 0.285 120.495 120.300 -0.150 0.000 2.097 242 Y HA -0.266 4.284 4.550 -0.000 0.000 0.282 242 Y C 1.867 177.657 175.900 -0.183 0.000 1.152 242 Y CA 1.787 59.742 58.100 -0.241 0.000 1.136 242 Y CB -0.398 37.795 38.460 -0.446 0.000 0.975 242 Y HN -0.022 nan 8.280 nan 0.000 0.498 243 F N -0.084 119.945 119.950 0.130 0.000 2.216 243 F HA -0.176 4.351 4.527 -0.000 0.000 0.300 243 F C 2.755 178.565 175.800 0.016 0.000 1.085 243 F CA 1.417 59.471 58.000 0.090 0.000 1.326 243 F CB -0.356 38.743 39.000 0.165 0.000 1.027 243 F HN -0.035 nan 8.300 nan 0.000 0.497 244 R N 0.466 121.062 120.500 0.158 0.000 2.075 244 R HA -0.145 4.195 4.340 -0.000 0.000 0.232 244 R C 1.355 177.648 176.300 -0.011 0.000 1.126 244 R CA 2.033 58.174 56.100 0.069 0.000 0.963 244 R CB -0.184 30.140 30.300 0.040 0.000 0.858 244 R HN 0.187 nan 8.270 nan 0.000 0.435 245 D N -0.489 119.859 120.400 -0.087 0.000 2.369 245 D HA -0.033 4.607 4.640 -0.000 0.000 0.231 245 D C 1.599 177.783 176.300 -0.194 0.000 0.967 245 D CA 0.639 54.566 54.000 -0.121 0.000 0.905 245 D CB -0.006 40.727 40.800 -0.112 0.000 1.044 245 D HN 0.129 nan 8.370 nan 0.000 0.487 246 Q N 0.278 119.839 119.800 -0.398 0.000 2.403 246 Q HA 0.082 4.422 4.340 -0.000 0.000 0.203 246 Q C 0.748 176.536 176.000 -0.355 0.000 0.932 246 Q CA 0.427 55.932 55.803 -0.496 0.000 0.945 246 Q CB 1.091 29.233 28.738 -0.993 0.000 1.045 246 Q HN 0.395 nan 8.270 nan 0.000 0.511 247 E N -0.884 119.196 120.200 -0.199 0.000 2.603 247 E HA 0.177 4.527 4.350 -0.000 0.000 0.224 247 E C 0.348 176.968 176.600 0.034 0.000 0.896 247 E CA 0.371 56.768 56.400 -0.004 0.000 1.224 247 E CB 0.641 30.448 29.700 0.178 0.000 1.206 247 E HN 0.294 nan 8.360 nan 0.000 0.576 248 G N 2.270 111.069 108.800 -0.001 0.000 2.395 248 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.300 248 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.300 248 G C -0.052 174.868 174.900 0.034 0.000 0.998 248 G CA 1.225 46.330 45.100 0.008 0.000 1.046 248 G HN 0.214 nan 8.290 nan 0.000 0.513 249 Q N -0.659 119.186 119.800 0.076 0.000 2.399 249 Q HA 0.532 4.872 4.340 -0.000 0.000 0.276 249 Q C -0.602 175.447 176.000 0.081 0.000 1.098 249 Q CA -0.827 55.020 55.803 0.073 0.000 0.827 249 Q CB 1.133 29.945 28.738 0.125 0.000 1.386 249 Q HN 0.196 nan 8.270 nan 0.000 0.443 250 D N 0.720 121.147 120.400 0.045 0.000 2.401 250 D HA 0.220 4.860 4.640 -0.000 0.000 0.254 250 D C -0.958 175.473 176.300 0.218 0.000 1.192 250 D CA 0.321 54.390 54.000 0.116 0.000 0.885 250 D CB 0.588 41.426 40.800 0.064 0.000 1.147 250 D HN 0.136 nan 8.370 nan 0.000 0.478 251 V N 3.659 123.661 119.914 0.147 0.000 2.628 251 V HA 0.402 4.522 4.120 -0.000 0.000 0.306 251 V C 0.182 176.209 176.094 -0.111 0.000 1.045 251 V CA -0.897 61.446 62.300 0.072 0.000 0.905 251 V CB 1.737 33.624 31.823 0.107 0.000 0.997 251 V HN 0.327 nan 8.190 nan 0.000 0.436 252 L N 5.007 126.082 121.223 -0.247 0.000 2.307 252 L HA 0.614 4.954 4.340 -0.000 0.000 0.284 252 L C -0.835 175.815 176.870 -0.366 0.000 1.023 252 L CA -0.587 53.999 54.840 -0.423 0.000 0.810 252 L CB 1.624 43.387 42.059 -0.493 0.000 1.231 252 L HN 0.445 nan 8.230 nan 0.000 0.423 253 L N 3.894 124.810 121.223 -0.512 0.000 2.349 253 L HA 0.588 4.928 4.340 -0.000 0.000 0.278 253 L C -1.359 175.159 176.870 -0.587 0.000 0.996 253 L CA 0.113 54.725 54.840 -0.380 0.000 0.825 253 L CB 1.140 43.057 42.059 -0.236 0.000 1.243 253 L HN 0.220 nan 8.230 nan 0.000 0.412 254 F N 5.979 125.831 119.950 -0.162 0.000 2.444 254 F HA 0.622 5.149 4.527 -0.000 0.000 0.342 254 F C -0.057 175.396 175.800 -0.577 0.000 1.121 254 F CA -0.497 57.353 58.000 -0.250 0.000 0.997 254 F CB 1.520 40.508 39.000 -0.019 0.000 1.130 254 F HN 0.230 nan 8.300 nan 0.000 0.454 255 I N 2.930 123.299 120.570 -0.334 0.000 2.447 255 I HA 0.291 4.461 4.170 -0.000 0.000 0.287 255 I C -1.306 174.620 176.117 -0.318 0.000 1.023 255 I CA -0.508 60.531 61.300 -0.435 0.000 1.083 255 I CB 1.876 39.700 38.000 -0.294 0.000 1.245 255 I HN 0.430 nan 8.210 nan 0.000 0.434 256 D N 6.305 126.493 120.400 -0.355 0.000 2.421 256 D HA 0.288 4.928 4.640 -0.000 0.000 0.254 256 D C -1.320 174.976 176.300 -0.007 0.000 1.238 256 D CA -0.188 53.775 54.000 -0.063 0.000 0.919 256 D CB 1.130 42.022 40.800 0.152 0.000 1.152 256 D HN 0.428 nan 8.370 nan 0.000 0.552 257 N N 4.252 122.966 118.700 0.022 0.000 2.310 257 N HA 0.142 4.882 4.740 -0.000 0.000 0.292 257 N C 0.408 175.951 175.510 0.055 0.000 1.049 257 N CA -0.485 52.594 53.050 0.049 0.000 0.849 257 N CB 1.665 40.232 38.487 0.134 0.000 1.532 257 N HN 0.254 nan 8.380 nan 0.000 0.479 258 I N 3.835 124.407 120.570 0.003 0.000 2.614 258 I HA -0.053 4.116 4.170 -0.000 0.000 0.258 258 I C 1.749 177.930 176.117 0.107 0.000 1.189 258 I CA 0.708 61.998 61.300 -0.016 0.000 1.462 258 I CB -0.499 37.413 38.000 -0.147 0.000 1.092 258 I HN 0.633 nan 8.210 nan 0.000 0.442 259 F N 1.550 121.522 119.950 0.036 0.000 2.154 259 F HA -0.276 4.251 4.527 -0.000 0.000 0.301 259 F C 2.326 178.214 175.800 0.145 0.000 1.087 259 F CA 1.625 59.694 58.000 0.115 0.000 1.274 259 F CB -0.375 38.736 39.000 0.185 0.000 1.009 259 F HN -0.012 nan 8.300 nan 0.000 0.485 260 R N 0.030 120.541 120.500 0.019 0.000 2.152 260 R HA -0.210 4.130 4.340 -0.000 0.000 0.232 260 R C 2.225 178.455 176.300 -0.116 0.000 1.117 260 R CA 1.511 57.547 56.100 -0.108 0.000 0.981 260 R CB -1.798 28.526 30.300 0.040 0.000 0.870 260 R HN 0.521 nan 8.270 nan 0.000 0.451 261 F N 1.649 121.497 119.950 -0.170 0.000 2.095 261 F HA -0.231 4.296 4.527 -0.000 0.000 0.298 261 F C 1.992 177.692 175.800 -0.167 0.000 1.104 261 F CA 1.887 59.802 58.000 -0.141 0.000 1.232 261 F CB -0.293 38.637 39.000 -0.116 0.000 0.987 261 F HN -0.101 nan 8.300 nan 0.000 0.475 262 T N 0.032 114.532 114.554 -0.090 0.000 2.812 262 T HA -0.199 4.151 4.350 -0.000 0.000 0.264 262 T C 1.859 176.411 174.700 -0.247 0.000 1.042 262 T CA 1.353 63.342 62.100 -0.185 0.000 1.140 262 T CB -0.344 68.496 68.868 -0.045 0.000 0.870 262 T HN 0.442 nan 8.240 nan 0.000 0.445 263 Q N 0.788 120.309 119.800 -0.465 0.000 2.061 263 Q HA -0.138 4.202 4.340 -0.000 0.000 0.204 263 Q C 2.489 178.369 176.000 -0.199 0.000 0.984 263 Q CA 1.654 57.245 55.803 -0.353 0.000 0.846 263 Q CB -0.320 28.067 28.738 -0.585 0.000 0.902 263 Q HN 0.523 nan 8.270 nan 0.000 0.421 264 A N 0.449 123.134 122.820 -0.225 0.000 1.908 264 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 264 A C 2.275 179.750 177.584 -0.183 0.000 1.181 264 A CA 1.721 53.653 52.037 -0.175 0.000 0.627 264 A CB -1.397 17.499 19.000 -0.173 0.000 0.818 264 A HN 0.628 nan 8.150 nan 0.000 0.445 265 G N -1.030 107.612 108.800 -0.263 0.000 2.440 265 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.218 265 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.218 265 G C 1.912 176.753 174.900 -0.098 0.000 1.154 265 G CA 1.480 46.445 45.100 -0.225 0.000 0.767 265 G HN 0.548 nan 8.290 nan 0.000 0.552 266 S N 0.170 115.843 115.700 -0.046 0.000 2.368 266 S HA -0.104 4.366 4.470 -0.000 0.000 0.225 266 S C 2.268 176.844 174.600 -0.039 0.000 1.030 266 S CA 1.796 59.998 58.200 0.003 0.000 0.999 266 S CB -0.269 62.943 63.200 0.019 0.000 0.844 266 S HN 0.603 nan 8.310 nan 0.000 0.459 267 E N 0.346 120.511 120.200 -0.059 0.000 2.077 267 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 267 E C 2.243 178.817 176.600 -0.043 0.000 0.989 267 E CA 1.661 58.030 56.400 -0.051 0.000 0.800 267 E CB -0.326 29.342 29.700 -0.053 0.000 0.746 267 E HN 0.640 nan 8.360 nan 0.000 0.452 268 V N -1.191 118.691 119.914 -0.053 0.000 2.453 268 V HA -0.177 3.943 4.120 -0.000 0.000 0.247 268 V C 2.298 178.374 176.094 -0.031 0.000 1.048 268 V CA 1.942 64.216 62.300 -0.043 0.000 1.049 268 V CB -0.361 31.430 31.823 -0.054 0.000 0.672 268 V HN 0.124 nan 8.190 nan 0.000 0.457 269 S N 0.892 116.574 115.700 -0.030 0.000 2.370 269 S HA -0.139 4.331 4.470 -0.000 0.000 0.226 269 S C 2.167 176.762 174.600 -0.009 0.000 1.033 269 S CA 1.829 60.020 58.200 -0.014 0.000 1.011 269 S CB -0.686 62.513 63.200 -0.002 0.000 0.852 269 S HN 1.015 nan 8.310 nan 0.000 0.457 270 A N 0.863 123.675 122.820 -0.014 0.000 1.972 270 A HA 0.041 4.361 4.320 -0.000 0.000 0.219 270 A C 2.069 179.647 177.584 -0.011 0.000 1.169 270 A CA 1.339 53.368 52.037 -0.013 0.000 0.635 270 A CB -0.575 18.412 19.000 -0.021 0.000 0.810 270 A HN 0.589 nan 8.150 nan 0.000 0.446 271 L N -1.089 120.126 121.223 -0.013 0.000 2.341 271 L HA 0.070 4.410 4.340 -0.000 0.000 0.214 271 L C 1.924 178.791 176.870 -0.005 0.000 1.115 271 L CA 0.251 55.085 54.840 -0.010 0.000 0.820 271 L CB -0.195 41.857 42.059 -0.012 0.000 0.944 271 L HN 0.300 nan 8.230 nan 0.000 0.452 272 L N -0.303 120.917 121.223 -0.005 0.000 2.554 272 L HA 0.142 4.482 4.340 -0.000 0.000 0.226 272 L C 1.560 178.432 176.870 0.002 0.000 1.137 272 L CA 0.610 55.450 54.840 -0.001 0.000 0.863 272 L CB -0.443 41.614 42.059 -0.002 0.000 0.985 272 L HN 0.453 nan 8.230 nan 0.000 0.451 273 G N 0.490 109.291 108.800 0.001 0.000 2.148 273 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.254 273 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.254 273 G C 0.334 175.238 174.900 0.006 0.000 0.981 273 G CA -0.026 45.076 45.100 0.003 0.000 0.670 273 G HN 0.282 nan 8.290 nan 0.000 0.528 274 R N -0.352 120.153 120.500 0.007 0.000 2.697 274 R HA 0.369 4.709 4.340 -0.000 0.000 0.265 274 R C 1.281 177.589 176.300 0.013 0.000 1.009 274 R CA 0.112 56.218 56.100 0.011 0.000 1.099 274 R CB 0.203 30.511 30.300 0.013 0.000 0.965 274 R HN 0.390 nan 8.270 nan 0.000 0.428 275 I N 5.732 126.311 120.570 0.015 0.000 2.598 275 I HA 0.062 4.231 4.170 -0.000 0.000 0.284 275 I C -1.474 174.658 176.117 0.024 0.000 1.140 275 I CA -1.384 59.927 61.300 0.017 0.000 1.420 275 I CB 0.390 38.401 38.000 0.017 0.000 1.387 275 I HN 0.426 nan 8.210 nan 0.000 0.553 276 P HA 0.107 nan 4.420 nan 0.000 0.274 276 P C -0.372 176.958 177.300 0.050 0.000 1.237 276 P CA -0.313 62.808 63.100 0.036 0.000 0.793 276 P CB 1.369 33.083 31.700 0.024 0.000 0.977 277 S N 0.361 116.107 115.700 0.077 0.000 2.590 277 S HA 0.606 5.076 4.470 -0.000 0.000 0.282 277 S C 0.017 174.681 174.600 0.106 0.000 1.136 277 S CA -0.441 57.813 58.200 0.089 0.000 1.030 277 S CB 0.065 63.328 63.200 0.105 0.000 1.195 277 S HN 0.622 nan 8.310 nan 0.000 0.506 278 A N 0.307 123.200 122.820 0.121 0.000 2.531 278 A HA 0.410 4.730 4.320 -0.000 0.000 0.236 278 A C 0.945 178.643 177.584 0.190 0.000 1.062 278 A CA 0.360 52.474 52.037 0.129 0.000 0.760 278 A CB -0.741 18.330 19.000 0.119 0.000 0.995 278 A HN 1.622 nan 8.150 nan 0.000 0.501 279 V N 1.126 121.115 119.914 0.124 0.000 3.774 279 V HA -0.306 3.814 4.120 -0.000 0.000 0.216 279 V C 1.739 177.801 176.094 -0.053 0.000 0.441 279 V CA 1.615 63.964 62.300 0.083 0.000 0.985 279 V CB -2.501 29.438 31.823 0.193 0.000 1.085 279 V HN 2.927 nan 8.190 nan 0.000 1.240 280 G N -2.473 106.319 108.800 -0.014 0.000 2.162 280 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.260 280 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.260 280 G C -0.099 174.752 174.900 -0.082 0.000 0.976 280 G CA 0.423 45.482 45.100 -0.068 0.000 0.655 280 G HN 0.875 nan 8.290 nan 0.000 0.533 281 Y N 1.569 121.892 120.300 0.037 0.000 2.314 281 Y HA 0.362 4.912 4.550 -0.000 0.000 0.334 281 Y C 1.492 177.401 175.900 0.015 0.000 1.266 281 Y CA -0.103 58.015 58.100 0.029 0.000 1.391 281 Y CB 0.502 38.990 38.460 0.048 0.000 1.306 281 Y HN 0.397 nan 8.280 nan 0.000 0.558 282 Q N 3.978 123.908 119.800 0.217 0.000 2.315 282 Q HA -0.017 4.323 4.340 -0.000 0.000 0.289 282 Q C -2.276 173.781 176.000 0.095 0.000 1.044 282 Q CA -1.291 54.575 55.803 0.106 0.000 0.920 282 Q CB 0.755 29.529 28.738 0.059 0.000 1.214 282 Q HN 0.422 nan 8.270 nan 0.000 0.392 283 P HA -0.098 nan 4.420 nan 0.000 0.225 283 P C 0.793 178.119 177.300 0.043 0.000 1.148 283 P CA 1.315 64.447 63.100 0.053 0.000 0.779 283 P CB -0.032 31.691 31.700 0.039 0.000 0.780 284 T N -3.922 110.654 114.554 0.037 0.000 3.206 284 T HA 0.160 4.510 4.350 -0.000 0.000 0.253 284 T C 1.532 176.254 174.700 0.036 0.000 1.042 284 T CA -0.354 61.766 62.100 0.032 0.000 0.931 284 T CB -0.916 67.965 68.868 0.021 0.000 1.029 284 T HN -0.043 nan 8.240 nan 0.000 0.564 285 L N 1.100 122.343 121.223 0.032 0.000 1.997 285 L HA -0.122 4.217 4.340 -0.000 0.000 0.216 285 L C 2.783 179.682 176.870 0.049 0.000 1.074 285 L CA 2.130 56.979 54.840 0.014 0.000 0.763 285 L CB -0.675 41.351 42.059 -0.055 0.000 0.890 285 L HN 0.405 nan 8.230 nan 0.000 0.434 286 A N -0.897 121.956 122.820 0.055 0.000 1.897 286 A HA -0.176 4.144 4.320 -0.000 0.000 0.215 286 A C 2.329 179.975 177.584 0.104 0.000 1.181 286 A CA 1.956 54.046 52.037 0.089 0.000 0.620 286 A CB -1.132 17.914 19.000 0.076 0.000 0.821 286 A HN 0.636 nan 8.150 nan 0.000 0.443 287 T N -1.912 112.690 114.554 0.079 0.000 2.777 287 T HA -0.140 4.210 4.350 -0.000 0.000 0.266 287 T C 1.377 176.130 174.700 0.089 0.000 1.040 287 T CA 1.449 63.595 62.100 0.076 0.000 1.141 287 T CB -0.510 68.391 68.868 0.054 0.000 0.868 287 T HN 0.323 nan 8.240 nan 0.000 0.444 288 D N 0.986 121.447 120.400 0.101 0.000 2.104 288 D HA -0.070 4.570 4.640 -0.000 0.000 0.194 288 D C 1.986 178.430 176.300 0.240 0.000 0.994 288 D CA 1.134 55.231 54.000 0.162 0.000 0.830 288 D CB -0.424 40.449 40.800 0.122 0.000 0.959 288 D HN 0.399 nan 8.370 nan 0.000 0.452 289 M N 0.293 120.007 119.600 0.190 0.000 2.132 289 M HA -0.074 4.406 4.480 -0.000 0.000 0.263 289 M C 2.034 178.246 176.300 -0.147 0.000 1.065 289 M CA 1.931 57.257 55.300 0.043 0.000 1.122 289 M CB -0.171 32.456 32.600 0.045 0.000 1.365 289 M HN 0.022 nan 8.290 nan 0.000 0.411 290 G N -0.410 108.392 108.800 0.003 0.000 2.418 290 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.217 290 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.217 290 G C 1.445 176.343 174.900 -0.002 0.000 1.158 290 G CA 1.515 46.647 45.100 0.052 0.000 0.771 290 G HN 0.602 nan 8.290 nan 0.000 0.545 291 T N -1.605 112.962 114.554 0.022 0.000 2.867 291 T HA -0.060 4.290 4.350 -0.000 0.000 0.268 291 T C 2.218 176.906 174.700 -0.020 0.000 1.057 291 T CA 1.549 63.665 62.100 0.026 0.000 1.136 291 T CB -0.147 68.761 68.868 0.066 0.000 0.874 291 T HN 0.140 nan 8.240 nan 0.000 0.466 292 M N 0.470 120.019 119.600 -0.085 0.000 2.134 292 M HA 0.021 4.501 4.480 -0.000 0.000 0.262 292 M C 2.282 178.419 176.300 -0.272 0.000 1.076 292 M CA 1.445 56.615 55.300 -0.217 0.000 1.143 292 M CB -0.720 31.589 32.600 -0.484 0.000 1.346 292 M HN 0.170 nan 8.290 nan 0.000 0.421 293 Q N 0.596 120.186 119.800 -0.350 0.000 2.124 293 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 293 Q C 1.740 177.640 176.000 -0.167 0.000 0.977 293 Q CA 1.220 56.811 55.803 -0.354 0.000 0.850 293 Q CB -0.462 27.862 28.738 -0.690 0.000 0.901 293 Q HN 0.561 nan 8.270 nan 0.000 0.429 294 E N 0.447 120.594 120.200 -0.088 0.000 2.401 294 E HA -0.137 4.213 4.350 -0.000 0.000 0.199 294 E C 1.744 178.326 176.600 -0.030 0.000 1.023 294 E CA 0.544 56.938 56.400 -0.010 0.000 0.859 294 E CB -0.015 29.705 29.700 0.033 0.000 0.780 294 E HN 0.325 nan 8.360 nan 0.000 0.523 295 R N -0.018 120.444 120.500 -0.064 0.000 2.210 295 R HA 0.169 4.509 4.340 -0.000 0.000 0.203 295 R C 0.993 177.248 176.300 -0.075 0.000 1.010 295 R CA 0.154 56.218 56.100 -0.060 0.000 1.008 295 R CB 0.231 30.492 30.300 -0.066 0.000 0.923 295 R HN 0.061 nan 8.270 nan 0.000 0.469 296 I N 1.836 122.343 120.570 -0.105 0.000 2.278 296 I HA 0.047 4.217 4.170 -0.000 0.000 0.300 296 I C -0.079 175.986 176.117 -0.085 0.000 1.174 296 I CA 0.317 61.549 61.300 -0.114 0.000 1.347 296 I CB 0.396 38.300 38.000 -0.160 0.000 1.473 296 I HN -0.064 nan 8.210 nan 0.000 0.595 297 T N 2.814 117.328 114.554 -0.066 0.000 2.957 297 T HA 0.223 4.573 4.350 -0.000 0.000 0.336 297 T C -0.287 174.386 174.700 -0.045 0.000 1.462 297 T CA -0.370 61.700 62.100 -0.051 0.000 1.073 297 T CB 1.542 70.390 68.868 -0.033 0.000 1.319 297 T HN 0.299 nan 8.240 nan 0.000 0.485 298 T N 3.586 118.115 114.554 -0.043 0.000 2.918 298 T HA 0.549 4.899 4.350 -0.000 0.000 0.302 298 T C 0.510 175.187 174.700 -0.038 0.000 1.045 298 T CA 0.004 62.083 62.100 -0.035 0.000 1.114 298 T CB 0.581 69.429 68.868 -0.033 0.000 0.965 298 T HN 0.881 nan 8.240 nan 0.000 0.540 299 T N -0.292 114.241 114.554 -0.035 0.000 2.831 299 T HA 0.471 4.820 4.350 -0.000 0.000 0.287 299 T C 0.959 175.633 174.700 -0.042 0.000 1.070 299 T CA -1.096 60.978 62.100 -0.043 0.000 1.010 299 T CB 1.466 70.312 68.868 -0.038 0.000 1.264 299 T HN 0.386 nan 8.240 nan 0.000 0.532 300 K N -0.072 120.299 120.400 -0.049 0.000 2.280 300 K HA -0.039 4.281 4.320 -0.000 0.000 0.202 300 K C 2.040 178.620 176.600 -0.032 0.000 1.047 300 K CA 1.027 57.288 56.287 -0.043 0.000 0.942 300 K CB -0.075 32.396 32.500 -0.048 0.000 0.739 300 K HN 0.510 nan 8.250 nan 0.000 0.457 301 K N -0.164 120.218 120.400 -0.031 0.000 2.243 301 K HA -0.003 4.317 4.320 -0.000 0.000 0.201 301 K C 0.361 176.949 176.600 -0.020 0.000 1.051 301 K CA 0.649 56.919 56.287 -0.027 0.000 0.970 301 K CB 0.514 32.995 32.500 -0.032 0.000 0.755 301 K HN 0.202 nan 8.250 nan 0.000 0.465 302 G N -0.912 107.879 108.800 -0.015 0.000 2.489 302 G HA2 0.178 4.138 3.960 -0.000 0.000 0.291 302 G HA3 0.178 4.138 3.960 -0.000 0.000 0.291 302 G C -1.764 173.137 174.900 0.001 0.000 1.487 302 G CA -0.690 44.409 45.100 -0.001 0.000 0.795 302 G HN -0.068 nan 8.290 nan 0.000 0.513 303 S N -0.498 115.211 115.700 0.015 0.000 2.462 303 S HA 0.728 5.197 4.470 -0.000 0.000 0.294 303 S C -0.156 174.452 174.600 0.014 0.000 1.144 303 S CA -0.650 57.557 58.200 0.011 0.000 1.088 303 S CB 0.303 63.517 63.200 0.023 0.000 1.009 303 S HN 0.439 nan 8.310 nan 0.000 0.484 304 I N 4.326 124.884 120.570 -0.019 0.000 2.411 304 I HA 0.231 4.401 4.170 -0.000 0.000 0.284 304 I C -0.243 175.817 176.117 -0.095 0.000 1.012 304 I CA -0.491 60.776 61.300 -0.055 0.000 1.119 304 I CB 2.023 39.985 38.000 -0.063 0.000 1.261 304 I HN 0.464 nan 8.210 nan 0.000 0.448 305 T N 4.439 118.911 114.554 -0.136 0.000 2.727 305 T HA 0.248 4.598 4.350 -0.000 0.000 0.298 305 T C 0.231 174.745 174.700 -0.309 0.000 0.942 305 T CA -0.501 61.489 62.100 -0.184 0.000 0.997 305 T CB 0.400 69.171 68.868 -0.161 0.000 0.917 305 T HN 0.665 nan 8.240 nan 0.000 0.487 306 S N 2.324 117.857 115.700 -0.278 0.000 2.475 306 S HA 0.707 5.177 4.470 -0.000 0.000 0.298 306 S C -0.476 173.921 174.600 -0.338 0.000 1.119 306 S CA -0.809 57.193 58.200 -0.330 0.000 1.085 306 S CB 1.320 64.376 63.200 -0.241 0.000 1.028 306 S HN 0.371 nan 8.310 nan 0.000 0.489 307 V N 3.541 123.229 119.914 -0.377 0.000 2.409 307 V HA 0.429 4.549 4.120 -0.000 0.000 0.290 307 V C -0.627 175.373 176.094 -0.157 0.000 1.017 307 V CA -0.533 61.624 62.300 -0.239 0.000 0.841 307 V CB 1.127 32.898 31.823 -0.088 0.000 1.003 307 V HN 0.964 nan 8.190 nan 0.000 0.426 308 Q N 3.192 122.885 119.800 -0.177 0.000 2.333 308 Q HA 0.734 5.074 4.340 -0.000 0.000 0.268 308 Q C -0.107 175.793 176.000 -0.167 0.000 1.007 308 Q CA -0.530 55.166 55.803 -0.180 0.000 0.810 308 Q CB 2.530 31.133 28.738 -0.225 0.000 1.264 308 Q HN 0.874 nan 8.270 nan 0.000 0.452 309 A N 3.692 126.453 122.820 -0.099 0.000 2.401 309 A HA 0.475 4.795 4.320 -0.000 0.000 0.259 309 A C -0.328 177.190 177.584 -0.110 0.000 1.103 309 A CA -0.119 51.878 52.037 -0.068 0.000 0.789 309 A CB 0.052 19.070 19.000 0.029 0.000 1.035 309 A HN 0.767 nan 8.150 nan 0.000 0.491 310 I N 2.898 123.355 120.570 -0.189 0.000 2.466 310 I HA 0.157 4.327 4.170 -0.000 0.000 0.279 310 I C -0.683 175.381 176.117 -0.089 0.000 1.033 310 I CA -0.414 60.745 61.300 -0.236 0.000 1.123 310 I CB 1.088 38.622 38.000 -0.776 0.000 1.237 310 I HN 0.748 nan 8.210 nan 0.000 0.460 311 Y N 6.964 127.212 120.300 -0.085 0.000 2.411 311 Y HA 0.361 4.910 4.550 -0.000 0.000 0.333 311 Y C -0.316 175.360 175.900 -0.372 0.000 1.186 311 Y CA 0.059 58.033 58.100 -0.211 0.000 1.381 311 Y CB 0.894 39.206 38.460 -0.246 0.000 1.273 311 Y HN 0.254 nan 8.280 nan 0.000 0.546 312 V N 8.630 127.953 119.914 -0.984 0.000 2.326 312 V HA 0.291 4.411 4.120 -0.000 0.000 0.281 312 V C -2.330 173.267 176.094 -0.829 0.000 1.015 312 V CA -2.133 59.788 62.300 -0.633 0.000 0.823 312 V CB 1.049 32.719 31.823 -0.255 0.000 1.009 312 V HN 0.712 nan 8.190 nan 0.000 0.436 313 P HA 0.160 nan 4.420 nan 0.000 0.267 313 P C 0.641 177.881 177.300 -0.101 0.000 1.209 313 P CA 0.622 63.615 63.100 -0.178 0.000 0.763 313 P CB 0.733 32.477 31.700 0.073 0.000 0.816 314 A N 4.031 126.819 122.820 -0.053 0.000 2.771 314 A HA -0.264 4.056 4.320 -0.000 0.000 0.294 314 A C 0.915 178.467 177.584 -0.053 0.000 1.500 314 A CA 1.270 53.295 52.037 -0.021 0.000 0.829 314 A CB -2.555 16.458 19.000 0.021 0.000 0.998 314 A HN 0.619 nan 8.150 nan 0.000 0.526 315 D N -2.038 118.289 120.400 -0.122 0.000 3.077 315 D HA -0.186 4.454 4.640 -0.000 0.000 0.217 315 D C -0.171 176.096 176.300 -0.055 0.000 1.162 315 D CA 2.128 56.068 54.000 -0.100 0.000 0.943 315 D CB -1.212 39.553 40.800 -0.058 0.000 1.122 315 D HN 0.973 nan 8.370 nan 0.000 0.413 316 D N 0.282 120.658 120.400 -0.039 0.000 2.441 316 D HA 0.207 4.847 4.640 -0.000 0.000 0.221 316 D C 1.408 177.728 176.300 0.034 0.000 1.156 316 D CA -0.298 53.706 54.000 0.006 0.000 0.896 316 D CB 0.146 40.964 40.800 0.030 0.000 1.028 316 D HN 0.143 nan 8.370 nan 0.000 0.509 317 L N 2.552 123.800 121.223 0.042 0.000 2.362 317 L HA -0.083 4.257 4.340 -0.000 0.000 0.219 317 L C 2.226 179.171 176.870 0.126 0.000 1.134 317 L CA 1.285 56.187 54.840 0.103 0.000 0.807 317 L CB -0.352 41.756 42.059 0.081 0.000 0.927 317 L HN 0.499 nan 8.230 nan 0.000 0.447 318 T N -4.701 109.898 114.554 0.075 0.000 3.129 318 T HA -0.061 4.289 4.350 -0.000 0.000 0.251 318 T C 0.773 175.537 174.700 0.106 0.000 1.117 318 T CA -0.400 61.744 62.100 0.072 0.000 1.034 318 T CB -0.295 68.594 68.868 0.036 0.000 0.968 318 T HN 0.191 nan 8.240 nan 0.000 0.526 319 D N 2.665 123.144 120.400 0.130 0.000 2.493 319 D HA 0.027 4.667 4.640 -0.000 0.000 0.240 319 D C -1.474 174.922 176.300 0.161 0.000 1.142 319 D CA -1.405 52.704 54.000 0.182 0.000 0.872 319 D CB 1.527 42.455 40.800 0.214 0.000 1.173 319 D HN 0.039 nan 8.370 nan 0.000 0.467 320 P HA -0.192 nan 4.420 nan 0.000 0.217 320 P C 0.829 178.078 177.300 -0.086 0.000 1.148 320 P CA 1.733 64.819 63.100 -0.023 0.000 0.834 320 P CB 0.147 31.768 31.700 -0.133 0.000 0.783 321 A N 0.381 123.137 122.820 -0.107 0.000 1.828 321 A HA -0.119 4.201 4.320 -0.000 0.000 0.215 321 A C -0.007 177.690 177.584 0.188 0.000 1.203 321 A CA 2.249 54.317 52.037 0.051 0.000 0.614 321 A CB -2.236 16.980 19.000 0.360 0.000 0.844 321 A HN 0.211 nan 8.150 nan 0.000 0.445 322 P HA -0.096 nan 4.420 nan 0.000 0.218 322 P C 1.523 179.027 177.300 0.340 0.000 1.149 322 P CA 1.915 65.193 63.100 0.297 0.000 0.817 322 P CB -0.186 31.698 31.700 0.308 0.000 0.785 323 A N -0.008 123.005 122.820 0.323 0.000 1.933 323 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 323 A C 2.222 180.008 177.584 0.337 0.000 1.175 323 A CA 2.237 54.498 52.037 0.373 0.000 0.628 323 A CB -1.822 17.294 19.000 0.194 0.000 0.814 323 A HN 0.214 nan 8.150 nan 0.000 0.444 324 T N -0.552 114.138 114.554 0.226 0.000 3.023 324 T HA -0.032 4.318 4.350 -0.000 0.000 0.266 324 T C 1.797 176.659 174.700 0.271 0.000 1.093 324 T CA 1.524 63.741 62.100 0.195 0.000 1.129 324 T CB -0.227 68.718 68.868 0.129 0.000 0.899 324 T HN 0.542 nan 8.240 nan 0.000 0.491 325 T N 1.696 116.412 114.554 0.268 0.000 2.904 325 T HA 0.066 4.416 4.350 -0.000 0.000 0.267 325 T C 1.506 176.375 174.700 0.282 0.000 1.059 325 T CA 0.615 62.863 62.100 0.247 0.000 1.137 325 T CB -0.484 68.423 68.868 0.066 0.000 0.879 325 T HN 0.313 nan 8.240 nan 0.000 0.467 326 F N 2.150 122.295 119.950 0.325 0.000 2.063 326 F HA -0.201 4.326 4.527 -0.000 0.000 0.298 326 F C 2.677 178.544 175.800 0.112 0.000 1.109 326 F CA 1.290 59.425 58.000 0.225 0.000 1.212 326 F CB -0.580 38.438 39.000 0.032 0.000 0.973 326 F HN 0.147 nan 8.300 nan 0.000 0.480 327 A N -1.726 121.214 122.820 0.200 0.000 2.216 327 A HA -0.134 4.186 4.320 -0.000 0.000 0.214 327 A C 1.453 178.971 177.584 -0.109 0.000 1.160 327 A CA 0.977 53.017 52.037 0.005 0.000 0.725 327 A CB -0.924 18.021 19.000 -0.093 0.000 0.784 327 A HN 0.479 nan 8.150 nan 0.000 0.472 328 H N -0.966 118.157 119.070 0.088 0.000 2.526 328 H HA 0.340 4.896 4.556 -0.000 0.000 0.274 328 H C -0.264 175.075 175.328 0.019 0.000 0.999 328 H CA 0.313 56.381 56.048 0.032 0.000 1.157 328 H CB 0.037 29.796 29.762 -0.005 0.000 1.407 328 H HN 0.345 nan 8.280 nan 0.000 0.568 329 L N 0.147 121.452 121.223 0.136 0.000 2.354 329 L HA 0.230 4.570 4.340 -0.000 0.000 0.269 329 L C 0.668 177.589 176.870 0.085 0.000 1.005 329 L CA -0.665 54.233 54.840 0.098 0.000 0.819 329 L CB 2.195 44.332 42.059 0.130 0.000 1.311 329 L HN -0.132 nan 8.230 nan 0.000 0.423 330 D N 0.921 121.353 120.400 0.053 0.000 2.277 330 D HA 0.175 4.815 4.640 -0.000 0.000 0.209 330 D C 0.323 176.674 176.300 0.085 0.000 0.970 330 D CA 0.612 54.645 54.000 0.056 0.000 0.874 330 D CB 0.861 41.680 40.800 0.031 0.000 0.982 330 D HN 0.503 nan 8.370 nan 0.000 0.504 331 A N 0.549 123.421 122.820 0.087 0.000 2.422 331 A HA 0.597 4.917 4.320 -0.000 0.000 0.302 331 A C -0.463 177.223 177.584 0.170 0.000 1.041 331 A CA -0.582 51.547 52.037 0.154 0.000 0.708 331 A CB 1.593 20.737 19.000 0.241 0.000 1.257 331 A HN -0.007 nan 8.150 nan 0.000 0.414 332 T N -0.789 113.913 114.554 0.247 0.000 2.848 332 T HA 0.698 5.048 4.350 -0.000 0.000 0.285 332 T C -0.576 174.316 174.700 0.319 0.000 0.995 332 T CA -0.502 61.790 62.100 0.320 0.000 0.970 332 T CB 1.387 70.484 68.868 0.381 0.000 0.976 332 T HN 0.480 nan 8.240 nan 0.000 0.441 333 T N 3.075 117.838 114.554 0.347 0.000 2.842 333 T HA 0.481 4.831 4.350 -0.000 0.000 0.308 333 T C -0.159 174.729 174.700 0.313 0.000 1.041 333 T CA -0.557 61.725 62.100 0.305 0.000 0.964 333 T CB 0.816 69.881 68.868 0.328 0.000 0.972 333 T HN 0.643 nan 8.240 nan 0.000 0.460 334 V N 5.724 125.783 119.914 0.241 0.000 2.364 334 V HA 0.386 4.506 4.120 -0.000 0.000 0.272 334 V C 0.214 176.397 176.094 0.147 0.000 1.036 334 V CA -0.763 61.663 62.300 0.211 0.000 0.880 334 V CB 0.805 32.698 31.823 0.116 0.000 0.991 334 V HN 0.740 nan 8.190 nan 0.000 0.460 335 L N 3.737 125.050 121.223 0.150 0.000 2.379 335 L HA 0.613 4.953 4.340 -0.000 0.000 0.269 335 L C 0.397 177.302 176.870 0.059 0.000 1.084 335 L CA 0.018 54.918 54.840 0.100 0.000 0.802 335 L CB 1.640 43.766 42.059 0.111 0.000 1.175 335 L HN 0.655 nan 8.230 nan 0.000 0.448 336 S N 0.923 116.639 115.700 0.026 0.000 2.561 336 S HA 0.316 4.785 4.470 -0.000 0.000 0.303 336 S C 0.609 175.198 174.600 -0.018 0.000 1.110 336 S CA -0.774 57.426 58.200 0.000 0.000 1.034 336 S CB 1.684 64.877 63.200 -0.011 0.000 1.010 336 S HN 0.717 nan 8.310 nan 0.000 0.482 337 R N 3.523 124.014 120.500 -0.015 0.000 2.081 337 R HA -0.053 4.287 4.340 -0.000 0.000 0.235 337 R C 2.092 178.371 176.300 -0.035 0.000 1.131 337 R CA 1.839 57.929 56.100 -0.017 0.000 0.960 337 R CB -0.660 29.634 30.300 -0.010 0.000 0.856 337 R HN 0.775 nan 8.270 nan 0.000 0.436 338 A N 1.156 123.955 122.820 -0.035 0.000 1.908 338 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 338 A C 2.144 179.693 177.584 -0.057 0.000 1.181 338 A CA 1.517 53.530 52.037 -0.040 0.000 0.627 338 A CB -0.506 18.471 19.000 -0.037 0.000 0.818 338 A HN 0.371 nan 8.150 nan 0.000 0.445 339 I N -0.425 120.105 120.570 -0.066 0.000 2.202 339 I HA -0.261 3.909 4.170 -0.000 0.000 0.242 339 I C 3.003 179.009 176.117 -0.185 0.000 1.091 339 I CA 0.996 62.242 61.300 -0.091 0.000 1.368 339 I CB -0.451 37.508 38.000 -0.068 0.000 1.058 339 I HN 0.365 nan 8.210 nan 0.000 0.410 340 A N 0.630 123.312 122.820 -0.230 0.000 1.908 340 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 340 A C 2.177 179.596 177.584 -0.275 0.000 1.181 340 A CA 1.813 53.591 52.037 -0.432 0.000 0.627 340 A CB -0.640 18.241 19.000 -0.198 0.000 0.818 340 A HN 0.474 nan 8.150 nan 0.000 0.445 341 E N -0.391 119.740 120.200 -0.115 0.000 2.268 341 E HA -0.066 4.283 4.350 -0.000 0.000 0.195 341 E C 1.571 178.141 176.600 -0.050 0.000 0.995 341 E CA 0.646 57.016 56.400 -0.049 0.000 0.836 341 E CB -0.216 29.470 29.700 -0.024 0.000 0.763 341 E HN 0.635 nan 8.360 nan 0.000 0.491 342 L N -0.474 120.704 121.223 -0.076 0.000 2.552 342 L HA 0.055 4.395 4.340 -0.000 0.000 0.227 342 L C 1.479 178.312 176.870 -0.062 0.000 1.146 342 L CA 0.546 55.352 54.840 -0.057 0.000 0.858 342 L CB -0.001 42.034 42.059 -0.041 0.000 0.969 342 L HN 0.313 nan 8.230 nan 0.000 0.451 343 G N 0.057 108.803 108.800 -0.091 0.000 2.175 343 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.244 343 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.244 343 G C 0.229 175.165 174.900 0.060 0.000 0.982 343 G CA -0.507 44.598 45.100 0.008 0.000 0.641 343 G HN 0.120 nan 8.290 nan 0.000 0.527 344 I N 1.440 121.944 120.570 -0.110 0.000 2.363 344 I HA 0.399 4.569 4.170 -0.000 0.000 0.292 344 I C 0.018 175.934 176.117 -0.336 0.000 1.075 344 I CA -0.535 60.730 61.300 -0.059 0.000 1.333 344 I CB -0.629 37.361 38.000 -0.018 0.000 1.415 344 I HN 0.112 nan 8.210 nan 0.000 0.502 345 Y N 7.343 127.619 120.300 -0.040 0.000 2.409 345 Y HA 0.393 4.943 4.550 -0.000 0.000 0.343 345 Y C -1.991 173.720 175.900 -0.315 0.000 0.973 345 Y CA -2.394 55.604 58.100 -0.169 0.000 1.064 345 Y CB 2.199 40.544 38.460 -0.191 0.000 1.207 345 Y HN 0.421 nan 8.280 nan 0.000 0.452 346 P HA 0.046 nan 4.420 nan 0.000 0.271 346 P C -0.428 176.878 177.300 0.010 0.000 1.218 346 P CA -0.124 62.941 63.100 -0.058 0.000 0.780 346 P CB 1.123 32.818 31.700 -0.007 0.000 0.901 347 A N 3.585 126.430 122.820 0.041 0.000 2.810 347 A HA 0.196 4.516 4.320 -0.000 0.000 0.247 347 A C 0.536 178.129 177.584 0.015 0.000 1.576 347 A CA -0.279 51.728 52.037 -0.050 0.000 1.294 347 A CB -1.211 17.737 19.000 -0.086 0.000 0.976 347 A HN 0.377 nan 8.150 nan 0.000 0.631 348 V N 1.179 121.117 119.914 0.039 0.000 2.572 348 V HA 0.030 4.149 4.120 -0.000 0.000 0.291 348 V C 0.420 176.535 176.094 0.035 0.000 1.039 348 V CA -0.402 61.935 62.300 0.061 0.000 1.055 348 V CB 1.021 32.889 31.823 0.075 0.000 0.969 348 V HN 0.584 nan 8.190 nan 0.000 0.482 349 D N 7.993 128.416 120.400 0.039 0.000 2.352 349 D HA 0.167 4.806 4.640 -0.000 0.000 0.245 349 D C -1.242 175.068 176.300 0.017 0.000 1.224 349 D CA -2.046 51.966 54.000 0.020 0.000 0.879 349 D CB 1.674 42.482 40.800 0.013 0.000 1.057 349 D HN 0.284 nan 8.370 nan 0.000 0.491 350 P HA -0.036 nan 4.420 nan 0.000 0.233 350 P C 1.057 178.348 177.300 -0.015 0.000 1.167 350 P CA 0.493 63.588 63.100 -0.008 0.000 0.770 350 P CB 0.398 32.089 31.700 -0.016 0.000 0.837 351 L N -0.997 120.218 121.223 -0.014 0.000 2.769 351 L HA 0.277 4.617 4.340 -0.000 0.000 0.240 351 L C 1.020 177.871 176.870 -0.031 0.000 1.163 351 L CA 0.341 55.166 54.840 -0.024 0.000 0.962 351 L CB 0.001 42.044 42.059 -0.027 0.000 1.258 351 L HN -0.159 nan 8.230 nan 0.000 0.513 352 D N -1.008 119.381 120.400 -0.018 0.000 2.562 352 D HA 0.110 4.750 4.640 -0.000 0.000 0.246 352 D C -0.166 176.142 176.300 0.014 0.000 1.347 352 D CA 0.209 54.192 54.000 -0.029 0.000 0.800 352 D CB 0.822 41.599 40.800 -0.039 0.000 1.111 352 D HN -0.116 nan 8.370 nan 0.000 0.508 353 S N -0.085 115.637 115.700 0.038 0.000 2.449 353 S HA 0.679 5.149 4.470 -0.000 0.000 0.310 353 S C -0.092 174.553 174.600 0.076 0.000 1.096 353 S CA -0.628 57.625 58.200 0.089 0.000 1.095 353 S CB 1.793 65.053 63.200 0.101 0.000 1.007 353 S HN 0.274 nan 8.310 nan 0.000 0.474 354 T N -0.732 113.888 114.554 0.110 0.000 2.901 354 T HA 0.834 5.184 4.350 -0.000 0.000 0.293 354 T C -0.678 174.095 174.700 0.122 0.000 1.084 354 T CA -0.855 61.299 62.100 0.090 0.000 1.008 354 T CB 1.898 70.805 68.868 0.066 0.000 1.170 354 T HN 0.441 nan 8.240 nan 0.000 0.509 355 S N -0.852 114.907 115.700 0.097 0.000 2.543 355 S HA 0.392 4.862 4.470 -0.000 0.000 0.271 355 S C 0.679 175.324 174.600 0.076 0.000 1.148 355 S CA -0.851 57.412 58.200 0.105 0.000 0.914 355 S CB 1.611 64.878 63.200 0.112 0.000 1.096 355 S HN 0.793 nan 8.310 nan 0.000 0.471 356 R N 2.116 122.658 120.500 0.070 0.000 2.152 356 R HA 0.011 4.351 4.340 -0.000 0.000 0.232 356 R C 1.700 178.022 176.300 0.037 0.000 1.117 356 R CA 1.876 58.005 56.100 0.049 0.000 0.981 356 R CB -0.571 29.755 30.300 0.042 0.000 0.870 356 R HN 0.810 nan 8.270 nan 0.000 0.451 357 I N -2.469 118.123 120.570 0.037 0.000 3.684 357 I HA 0.150 4.320 4.170 -0.000 0.000 0.304 357 I C 0.660 176.776 176.117 -0.003 0.000 1.278 357 I CA -0.227 61.080 61.300 0.012 0.000 1.272 357 I CB 0.050 38.056 38.000 0.010 0.000 1.029 357 I HN -0.071 nan 8.210 nan 0.000 0.458 358 M N 3.318 122.935 119.600 0.029 0.000 3.070 358 M HA 0.266 4.746 4.480 -0.000 0.000 0.275 358 M C -0.920 175.476 176.300 0.161 0.000 1.510 358 M CA 0.012 55.354 55.300 0.070 0.000 1.608 358 M CB -1.353 31.291 32.600 0.074 0.000 1.266 358 M HN 0.296 nan 8.290 nan 0.000 0.514 359 D N 5.259 125.713 120.400 0.090 0.000 2.931 359 D HA 0.318 4.957 4.640 -0.000 0.000 0.215 359 D C -2.530 173.666 176.300 -0.172 0.000 1.297 359 D CA -1.148 52.809 54.000 -0.072 0.000 0.892 359 D CB 2.305 43.071 40.800 -0.057 0.000 1.642 359 D HN 0.163 nan 8.370 nan 0.000 0.560 360 P HA -0.090 nan 4.420 nan 0.000 0.218 360 P C 0.748 177.963 177.300 -0.142 0.000 1.149 360 P CA 0.770 63.686 63.100 -0.308 0.000 0.817 360 P CB 0.483 31.895 31.700 -0.480 0.000 0.785 361 N N -0.577 118.038 118.700 -0.140 0.000 2.512 361 N HA 0.014 4.754 4.740 -0.000 0.000 0.183 361 N C 1.781 177.259 175.510 -0.053 0.000 1.073 361 N CA 0.724 53.726 53.050 -0.080 0.000 0.911 361 N CB -0.177 38.266 38.487 -0.074 0.000 0.964 361 N HN 0.329 nan 8.380 nan 0.000 0.447 362 I N -0.421 120.114 120.570 -0.058 0.000 2.899 362 I HA -0.050 4.120 4.170 -0.000 0.000 0.257 362 I C 1.774 177.869 176.117 -0.038 0.000 1.115 362 I CA 0.379 61.655 61.300 -0.040 0.000 1.451 362 I CB 0.013 37.990 38.000 -0.038 0.000 1.251 362 I HN -0.117 nan 8.210 nan 0.000 0.456 363 V N -0.933 118.942 119.914 -0.065 0.000 3.608 363 V HA 0.529 4.649 4.120 -0.000 0.000 0.269 363 V C 0.855 176.968 176.094 0.032 0.000 1.245 363 V CA 0.103 62.352 62.300 -0.085 0.000 1.138 363 V CB -1.107 30.466 31.823 -0.418 0.000 0.841 363 V HN 0.519 nan 8.190 nan 0.000 0.451 364 G N 1.061 109.879 108.800 0.030 0.000 2.705 364 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.686 364 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.686 364 G C 0.447 175.410 174.900 0.105 0.000 1.285 364 G CA 0.278 45.415 45.100 0.062 0.000 0.800 364 G HN 1.274 nan 8.290 nan 0.000 0.611 365 S N -0.144 115.606 115.700 0.083 0.000 2.399 365 S HA -0.114 4.356 4.470 -0.000 0.000 0.231 365 S C 1.786 176.491 174.600 0.175 0.000 1.022 365 S CA 1.922 60.193 58.200 0.118 0.000 0.983 365 S CB -0.128 63.114 63.200 0.070 0.000 0.803 365 S HN 0.945 nan 8.310 nan 0.000 0.480 366 E N 0.976 121.264 120.200 0.145 0.000 2.031 366 E HA -0.264 4.086 4.350 -0.000 0.000 0.193 366 E C 2.042 178.750 176.600 0.179 0.000 0.994 366 E CA 1.355 57.837 56.400 0.137 0.000 0.800 366 E CB -0.402 29.360 29.700 0.103 0.000 0.752 366 E HN 0.841 nan 8.360 nan 0.000 0.447 367 H N -1.434 117.693 119.070 0.094 0.000 2.289 367 H HA -0.250 4.306 4.556 -0.000 0.000 0.296 367 H C 2.122 177.505 175.328 0.091 0.000 1.091 367 H CA 2.056 58.154 56.048 0.085 0.000 1.274 367 H CB -0.204 29.608 29.762 0.083 0.000 1.364 367 H HN 0.292 nan 8.280 nan 0.000 0.490 368 Y N 1.432 121.854 120.300 0.203 0.000 2.128 368 Y HA -0.250 4.300 4.550 -0.000 0.000 0.284 368 Y C 2.048 178.000 175.900 0.085 0.000 1.154 368 Y CA 1.974 60.134 58.100 0.101 0.000 1.149 368 Y CB -0.307 38.173 38.460 0.034 0.000 0.976 368 Y HN 0.346 nan 8.280 nan 0.000 0.505 369 D N -0.633 119.871 120.400 0.173 0.000 2.117 369 D HA -0.176 4.464 4.640 -0.000 0.000 0.197 369 D C 2.395 178.695 176.300 -0.001 0.000 0.987 369 D CA 1.690 55.733 54.000 0.073 0.000 0.829 369 D CB -0.495 40.377 40.800 0.120 0.000 0.961 369 D HN 0.312 nan 8.370 nan 0.000 0.460 370 V N 1.333 121.266 119.914 0.031 0.000 2.358 370 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 370 V C 2.502 178.572 176.094 -0.040 0.000 1.047 370 V CA 1.672 63.983 62.300 0.018 0.000 1.035 370 V CB -0.807 31.043 31.823 0.045 0.000 0.658 370 V HN 0.174 nan 8.190 nan 0.000 0.452 371 A N 0.242 123.025 122.820 -0.061 0.000 1.865 371 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 371 A C 2.331 179.814 177.584 -0.167 0.000 1.191 371 A CA 1.749 53.716 52.037 -0.116 0.000 0.623 371 A CB -0.511 18.455 19.000 -0.057 0.000 0.826 371 A HN 0.393 nan 8.150 nan 0.000 0.444 372 R N -0.476 119.869 120.500 -0.259 0.000 2.120 372 R HA -0.093 4.247 4.340 -0.000 0.000 0.234 372 R C 2.308 178.537 176.300 -0.119 0.000 1.123 372 R CA 1.240 57.195 56.100 -0.241 0.000 0.975 372 R CB -1.640 28.441 30.300 -0.364 0.000 0.866 372 R HN 0.560 nan 8.270 nan 0.000 0.446 373 G N 0.263 109.014 108.800 -0.082 0.000 2.402 373 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.216 373 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.216 373 G C 1.585 176.472 174.900 -0.020 0.000 1.162 373 G CA 0.666 45.747 45.100 -0.031 0.000 0.777 373 G HN 0.170 nan 8.290 nan 0.000 0.539 374 V N 0.540 120.435 119.914 -0.031 0.000 2.343 374 V HA -0.250 3.870 4.120 -0.000 0.000 0.247 374 V C 2.919 178.995 176.094 -0.030 0.000 1.051 374 V CA 2.271 64.556 62.300 -0.024 0.000 1.036 374 V CB -0.529 31.236 31.823 -0.096 0.000 0.654 374 V HN 0.436 nan 8.190 nan 0.000 0.451 375 Q N -0.512 119.254 119.800 -0.057 0.000 2.167 375 Q HA -0.223 4.117 4.340 -0.000 0.000 0.202 375 Q C 2.359 178.346 176.000 -0.022 0.000 0.970 375 Q CA 1.499 57.275 55.803 -0.045 0.000 0.855 375 Q CB -0.179 28.518 28.738 -0.068 0.000 0.911 375 Q HN 0.582 nan 8.270 nan 0.000 0.438 376 K N 1.074 121.460 120.400 -0.024 0.000 2.026 376 K HA -0.161 4.159 4.320 -0.000 0.000 0.208 376 K C 1.994 178.601 176.600 0.012 0.000 1.048 376 K CA 1.087 57.369 56.287 -0.008 0.000 0.929 376 K CB -0.143 32.350 32.500 -0.011 0.000 0.713 376 K HN 0.167 nan 8.250 nan 0.000 0.439 377 I N 1.036 121.615 120.570 0.016 0.000 2.286 377 I HA -0.258 3.912 4.170 -0.000 0.000 0.248 377 I C 1.863 178.022 176.117 0.069 0.000 1.115 377 I CA 0.985 62.303 61.300 0.031 0.000 1.392 377 I CB 0.112 38.121 38.000 0.015 0.000 1.065 377 I HN 0.228 nan 8.210 nan 0.000 0.418 378 L N -0.063 121.200 121.223 0.068 0.000 2.093 378 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 378 L C 2.530 179.456 176.870 0.094 0.000 1.085 378 L CA 1.042 55.950 54.840 0.113 0.000 0.755 378 L CB -0.566 41.537 42.059 0.073 0.000 0.904 378 L HN 0.311 nan 8.230 nan 0.000 0.435 379 Q N 0.280 120.106 119.800 0.044 0.000 2.123 379 Q HA -0.189 4.151 4.340 -0.000 0.000 0.199 379 Q C 1.696 177.713 176.000 0.028 0.000 0.966 379 Q CA 1.606 57.419 55.803 0.016 0.000 0.845 379 Q CB -0.048 28.689 28.738 -0.002 0.000 0.907 379 Q HN 0.345 nan 8.270 nan 0.000 0.439 380 D N -0.880 119.550 120.400 0.051 0.000 2.144 380 D HA -0.164 4.476 4.640 -0.000 0.000 0.199 380 D C 1.472 177.840 176.300 0.112 0.000 0.984 380 D CA 0.990 55.026 54.000 0.060 0.000 0.834 380 D CB -0.317 40.514 40.800 0.052 0.000 0.955 380 D HN 0.332 nan 8.370 nan 0.000 0.465 381 Y N 1.846 122.139 120.300 -0.012 0.000 2.200 381 Y HA -0.128 4.422 4.550 -0.000 0.000 0.290 381 Y C 2.211 178.104 175.900 -0.012 0.000 1.137 381 Y CA 1.375 59.468 58.100 -0.011 0.000 1.163 381 Y CB -0.292 38.162 38.460 -0.010 0.000 0.988 381 Y HN -0.187 nan 8.280 nan 0.000 0.518 382 K N 0.233 120.561 120.400 -0.121 0.000 2.009 382 K HA -0.227 4.093 4.320 -0.000 0.000 0.210 382 K C 2.445 178.959 176.600 -0.143 0.000 1.049 382 K CA 2.105 58.264 56.287 -0.213 0.000 0.929 382 K CB -0.565 31.865 32.500 -0.116 0.000 0.714 382 K HN 0.426 nan 8.250 nan 0.000 0.440 383 S N 0.380 116.040 115.700 -0.065 0.000 2.443 383 S HA -0.220 4.250 4.470 -0.000 0.000 0.246 383 S C 1.576 176.154 174.600 -0.036 0.000 1.058 383 S CA 1.810 59.987 58.200 -0.037 0.000 1.028 383 S CB -0.465 62.730 63.200 -0.007 0.000 0.821 383 S HN 0.430 nan 8.310 nan 0.000 0.484 384 L N -0.444 120.753 121.223 -0.045 0.000 2.693 384 L HA 0.310 4.650 4.340 -0.000 0.000 0.235 384 L C 2.445 179.284 176.870 -0.053 0.000 1.127 384 L CA -0.040 54.789 54.840 -0.019 0.000 0.914 384 L CB -0.093 41.993 42.059 0.045 0.000 1.193 384 L HN 0.185 nan 8.230 nan 0.000 0.502 385 Q N 0.556 120.284 119.800 -0.120 0.000 2.135 385 Q HA -0.219 4.120 4.340 -0.000 0.000 0.204 385 Q C 1.599 177.556 176.000 -0.071 0.000 0.981 385 Q CA 1.681 57.404 55.803 -0.134 0.000 0.856 385 Q CB -0.107 28.523 28.738 -0.180 0.000 0.902 385 Q HN 0.365 nan 8.270 nan 0.000 0.425 386 D N -0.518 119.849 120.400 -0.055 0.000 2.087 386 D HA -0.162 4.478 4.640 -0.000 0.000 0.192 386 D C 1.859 178.146 176.300 -0.022 0.000 0.993 386 D CA 1.528 55.507 54.000 -0.035 0.000 0.828 386 D CB -0.213 40.570 40.800 -0.029 0.000 0.968 386 D HN 0.359 nan 8.370 nan 0.000 0.448 387 I N 0.434 120.995 120.570 -0.015 0.000 2.315 387 I HA -0.156 4.014 4.170 -0.000 0.000 0.248 387 I C 2.519 178.637 176.117 0.002 0.000 1.117 387 I CA 0.611 61.909 61.300 -0.004 0.000 1.404 387 I CB -0.260 37.741 38.000 0.002 0.000 1.071 387 I HN -0.072 nan 8.210 nan 0.000 0.419 388 I N 1.482 122.055 120.570 0.004 0.000 2.226 388 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 388 I C 2.896 179.017 176.117 0.007 0.000 1.100 388 I CA 1.356 62.666 61.300 0.018 0.000 1.374 388 I CB -0.449 37.575 38.000 0.040 0.000 1.057 388 I HN 0.210 nan 8.210 nan 0.000 0.413 389 A N 0.857 123.672 122.820 -0.009 0.000 1.978 389 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 389 A C 2.221 179.802 177.584 -0.005 0.000 1.170 389 A CA 1.479 53.510 52.037 -0.011 0.000 0.636 389 A CB -0.462 18.525 19.000 -0.022 0.000 0.810 389 A HN 0.330 nan 8.150 nan 0.000 0.448 390 I N -1.183 119.385 120.570 -0.004 0.000 2.364 390 I HA -0.013 4.157 4.170 -0.000 0.000 0.241 390 I C 2.116 178.234 176.117 0.002 0.000 1.082 390 I CA 1.129 62.428 61.300 -0.002 0.000 1.401 390 I CB -1.010 36.988 38.000 -0.003 0.000 1.126 390 I HN 0.247 nan 8.210 nan 0.000 0.429 391 L N -0.268 120.958 121.223 0.005 0.000 2.590 391 L HA 0.341 4.681 4.340 -0.000 0.000 0.227 391 L C 0.972 177.848 176.870 0.011 0.000 1.099 391 L CA 0.240 55.085 54.840 0.007 0.000 0.872 391 L CB 0.015 42.079 42.059 0.007 0.000 1.088 391 L HN 0.434 nan 8.230 nan 0.000 0.479 392 G N 0.034 108.843 108.800 0.015 0.000 2.796 392 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.571 392 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.571 392 G C 0.184 175.101 174.900 0.028 0.000 1.370 392 G CA -0.089 45.024 45.100 0.022 0.000 0.856 392 G HN 0.017 nan 8.290 nan 0.000 0.538 393 M N -0.075 119.545 119.600 0.033 0.000 2.419 393 M HA 0.044 4.524 4.480 -0.000 0.000 0.264 393 M C 1.680 177.994 176.300 0.023 0.000 1.082 393 M CA 1.270 56.592 55.300 0.036 0.000 1.119 393 M CB -0.132 32.489 32.600 0.036 0.000 1.398 393 M HN 0.529 nan 8.290 nan 0.000 0.453 394 D N 0.533 120.943 120.400 0.017 0.000 2.348 394 D HA -0.098 4.542 4.640 -0.000 0.000 0.216 394 D C 1.662 177.969 176.300 0.012 0.000 0.970 394 D CA 0.882 54.890 54.000 0.012 0.000 0.889 394 D CB 0.028 40.834 40.800 0.010 0.000 0.912 394 D HN 0.356 nan 8.370 nan 0.000 0.524 395 E N 0.198 120.406 120.200 0.014 0.000 2.385 395 E HA 0.064 4.414 4.350 -0.000 0.000 0.194 395 E C 1.015 177.622 176.600 0.013 0.000 1.013 395 E CA -0.038 56.369 56.400 0.012 0.000 0.866 395 E CB 0.451 30.157 29.700 0.011 0.000 0.832 395 E HN 0.349 nan 8.360 nan 0.000 0.500 396 L N 1.777 123.010 121.223 0.016 0.000 2.473 396 L HA 0.033 4.373 4.340 -0.000 0.000 0.268 396 L C 1.114 177.992 176.870 0.013 0.000 1.215 396 L CA -0.347 54.504 54.840 0.018 0.000 0.823 396 L CB 0.255 42.329 42.059 0.026 0.000 1.099 396 L HN -0.047 nan 8.230 nan 0.000 0.483 397 S N -0.020 115.687 115.700 0.012 0.000 2.580 397 S HA -0.022 4.448 4.470 -0.000 0.000 0.266 397 S C 0.866 175.471 174.600 0.007 0.000 1.354 397 S CA -0.349 57.856 58.200 0.009 0.000 1.008 397 S CB 1.034 64.238 63.200 0.008 0.000 0.898 397 S HN 0.695 nan 8.310 nan 0.000 0.555 398 E N 0.615 120.818 120.200 0.005 0.000 2.118 398 E HA -0.193 4.157 4.350 -0.000 0.000 0.195 398 E C 1.956 178.556 176.600 0.001 0.000 0.992 398 E CA 1.824 58.226 56.400 0.003 0.000 0.804 398 E CB -0.255 29.447 29.700 0.002 0.000 0.741 398 E HN 0.850 nan 8.360 nan 0.000 0.458 399 E N -0.100 120.102 120.200 0.003 0.000 2.038 399 E HA -0.244 4.106 4.350 -0.000 0.000 0.195 399 E C 1.305 177.907 176.600 0.003 0.000 1.000 399 E CA 1.704 58.105 56.400 0.002 0.000 0.803 399 E CB -0.073 29.630 29.700 0.004 0.000 0.750 399 E HN 0.264 nan 8.360 nan 0.000 0.448 400 D N 0.148 120.553 120.400 0.009 0.000 2.178 400 D HA -0.096 4.543 4.640 -0.000 0.000 0.202 400 D C 1.766 178.072 176.300 0.010 0.000 0.974 400 D CA 0.790 54.801 54.000 0.017 0.000 0.841 400 D CB -0.074 40.742 40.800 0.026 0.000 0.953 400 D HN 0.122 nan 8.370 nan 0.000 0.478 401 K N -0.044 120.358 120.400 0.003 0.000 2.097 401 K HA -0.112 4.207 4.320 -0.000 0.000 0.206 401 K C 1.982 178.566 176.600 -0.028 0.000 1.049 401 K CA 0.389 56.671 56.287 -0.008 0.000 0.933 401 K CB -0.172 32.325 32.500 -0.004 0.000 0.717 401 K HN 0.081 nan 8.250 nan 0.000 0.442 402 L N 1.166 122.376 121.223 -0.022 0.000 2.046 402 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 402 L C 2.404 179.245 176.870 -0.049 0.000 1.077 402 L CA 2.203 57.025 54.840 -0.030 0.000 0.747 402 L CB -0.864 41.184 42.059 -0.018 0.000 0.896 402 L HN 0.280 nan 8.230 nan 0.000 0.432 403 T N -4.411 110.121 114.554 -0.038 0.000 2.867 403 T HA -0.110 4.239 4.350 -0.000 0.000 0.268 403 T C 1.848 176.484 174.700 -0.107 0.000 1.057 403 T CA 1.332 63.405 62.100 -0.044 0.000 1.136 403 T CB -0.948 67.918 68.868 -0.002 0.000 0.874 403 T HN 0.138 nan 8.240 nan 0.000 0.466 404 V N 2.724 122.564 119.914 -0.124 0.000 2.358 404 V HA -0.150 3.969 4.120 -0.000 0.000 0.246 404 V C 3.240 179.120 176.094 -0.355 0.000 1.047 404 V CA 2.023 64.143 62.300 -0.300 0.000 1.035 404 V CB -0.879 30.864 31.823 -0.133 0.000 0.658 404 V HN 0.796 nan 8.190 nan 0.000 0.452 405 S N 0.477 116.061 115.700 -0.194 0.000 2.368 405 S HA -0.241 4.228 4.470 -0.000 0.000 0.225 405 S C 2.082 176.570 174.600 -0.187 0.000 1.030 405 S CA 1.445 59.548 58.200 -0.161 0.000 0.999 405 S CB -0.474 62.672 63.200 -0.089 0.000 0.844 405 S HN 0.556 nan 8.310 nan 0.000 0.459 406 R N 1.315 121.714 120.500 -0.169 0.000 2.073 406 R HA 0.187 4.527 4.340 -0.000 0.000 0.229 406 R C 2.806 178.997 176.300 -0.183 0.000 1.120 406 R CA 1.111 57.110 56.100 -0.169 0.000 0.967 406 R CB -0.730 29.506 30.300 -0.108 0.000 0.862 406 R HN 0.565 nan 8.270 nan 0.000 0.436 407 A N 1.201 123.897 122.820 -0.207 0.000 1.902 407 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 407 A C 2.056 179.508 177.584 -0.219 0.000 1.181 407 A CA 1.255 53.176 52.037 -0.193 0.000 0.623 407 A CB -0.348 18.502 19.000 -0.251 0.000 0.818 407 A HN 0.207 nan 8.150 nan 0.000 0.443 408 R N -0.396 119.891 120.500 -0.354 0.000 2.115 408 R HA -0.087 4.253 4.340 -0.000 0.000 0.230 408 R C 2.140 178.368 176.300 -0.120 0.000 1.111 408 R CA 1.605 57.573 56.100 -0.220 0.000 0.976 408 R CB -0.202 29.956 30.300 -0.236 0.000 0.870 408 R HN 0.516 nan 8.270 nan 0.000 0.445 409 K N 0.301 120.574 120.400 -0.211 0.000 2.062 409 K HA -0.044 4.275 4.320 -0.000 0.000 0.205 409 K C 2.011 178.451 176.600 -0.267 0.000 1.051 409 K CA 1.036 57.099 56.287 -0.373 0.000 0.941 409 K CB -0.033 31.991 32.500 -0.793 0.000 0.719 409 K HN 0.105 nan 8.250 nan 0.000 0.440 410 I N 1.475 121.969 120.570 -0.126 0.000 2.179 410 I HA -0.325 3.845 4.170 -0.000 0.000 0.242 410 I C 2.481 178.741 176.117 0.238 0.000 1.088 410 I CA 1.375 62.759 61.300 0.140 0.000 1.357 410 I CB -0.161 37.940 38.000 0.168 0.000 1.051 410 I HN 0.236 nan 8.210 nan 0.000 0.409 411 Q N 0.174 120.052 119.800 0.130 0.000 2.077 411 Q HA -0.268 4.072 4.340 -0.000 0.000 0.206 411 Q C 2.393 178.499 176.000 0.178 0.000 0.989 411 Q CA 1.797 57.686 55.803 0.144 0.000 0.853 411 Q CB -0.119 28.692 28.738 0.122 0.000 0.907 411 Q HN 0.426 nan 8.270 nan 0.000 0.418 412 R N -0.690 119.924 120.500 0.189 0.000 2.073 412 R HA -0.096 4.244 4.340 -0.000 0.000 0.229 412 R C 1.924 178.405 176.300 0.302 0.000 1.120 412 R CA 1.001 57.268 56.100 0.279 0.000 0.967 412 R CB -0.207 30.281 30.300 0.313 0.000 0.862 412 R HN 0.170 nan 8.270 nan 0.000 0.436 413 F N 0.862 120.877 119.950 0.108 0.000 2.451 413 F HA -0.004 4.523 4.527 -0.000 0.000 0.299 413 F C 1.407 177.325 175.800 0.197 0.000 1.101 413 F CA 0.924 58.948 58.000 0.039 0.000 1.436 413 F CB 0.073 38.919 39.000 -0.257 0.000 1.074 413 F HN -0.054 nan 8.300 nan 0.000 0.553 414 L N -0.503 120.893 121.223 0.289 0.000 2.395 414 L HA -0.022 4.318 4.340 -0.000 0.000 0.218 414 L C 1.447 178.345 176.870 0.047 0.000 1.130 414 L CA 0.365 55.329 54.840 0.208 0.000 0.826 414 L CB -0.720 41.436 42.059 0.162 0.000 0.941 414 L HN 0.110 nan 8.230 nan 0.000 0.451 415 S N -0.295 115.419 115.700 0.022 0.000 2.603 415 S HA 0.339 4.809 4.470 -0.000 0.000 0.268 415 S C -0.328 174.190 174.600 -0.137 0.000 1.317 415 S CA -0.465 57.696 58.200 -0.066 0.000 1.012 415 S CB 1.848 64.997 63.200 -0.086 0.000 0.926 415 S HN 0.274 nan 8.310 nan 0.000 0.539 416 Q N 0.763 120.461 119.800 -0.170 0.000 2.378 416 Q HA 0.359 4.699 4.340 -0.000 0.000 0.262 416 Q C -3.093 172.836 176.000 -0.118 0.000 0.978 416 Q CA -1.827 53.909 55.803 -0.111 0.000 0.918 416 Q CB 2.223 30.983 28.738 0.036 0.000 1.415 416 Q HN 0.556 nan 8.270 nan 0.000 0.409 417 P HA 0.105 nan 4.420 nan 0.000 0.271 417 P C -0.975 176.491 177.300 0.277 0.000 1.226 417 P CA 0.453 63.576 63.100 0.039 0.000 0.765 417 P CB 0.161 31.880 31.700 0.032 0.000 0.835 418 F N 1.530 121.496 119.950 0.027 0.000 2.385 418 F HA 0.190 4.717 4.527 -0.000 0.000 0.336 418 F C 2.261 178.077 175.800 0.028 0.000 1.100 418 F CA -0.761 57.256 58.000 0.029 0.000 1.116 418 F CB 1.603 40.627 39.000 0.040 0.000 1.166 418 F HN 0.362 nan 8.300 nan 0.000 0.511 419 Q N 1.365 121.259 119.800 0.157 0.000 2.197 419 Q HA -0.150 4.190 4.340 -0.000 0.000 0.207 419 Q C 1.711 177.758 176.000 0.079 0.000 0.984 419 Q CA 1.288 57.136 55.803 0.075 0.000 0.869 419 Q CB 0.095 28.840 28.738 0.012 0.000 0.906 419 Q HN 0.606 nan 8.270 nan 0.000 0.426 420 V N -0.620 119.363 119.914 0.114 0.000 2.951 420 V HA -0.000 4.120 4.120 -0.000 0.000 0.255 420 V C 1.187 177.378 176.094 0.160 0.000 1.088 420 V CA 1.261 63.626 62.300 0.110 0.000 1.109 420 V CB 0.336 32.217 31.823 0.097 0.000 0.724 420 V HN 0.347 nan 8.190 nan 0.000 0.471 421 A N -0.988 121.964 122.820 0.219 0.000 2.610 421 A HA 0.247 4.567 4.320 -0.000 0.000 0.286 421 A C 1.524 179.192 177.584 0.139 0.000 1.306 421 A CA -0.192 51.999 52.037 0.257 0.000 0.942 421 A CB -0.263 18.875 19.000 0.230 0.000 1.112 421 A HN 0.505 nan 8.150 nan 0.000 0.527 422 E N -0.458 119.769 120.200 0.045 0.000 2.153 422 E HA -0.131 4.219 4.350 -0.000 0.000 0.194 422 E C 1.560 178.096 176.600 -0.107 0.000 0.988 422 E CA 1.212 57.608 56.400 -0.005 0.000 0.811 422 E CB -0.072 29.623 29.700 -0.009 0.000 0.746 422 E HN 0.448 nan 8.360 nan 0.000 0.466 423 V N 0.468 120.220 119.914 -0.270 0.000 2.490 423 V HA -0.226 3.894 4.120 -0.000 0.000 0.250 423 V C 1.692 177.523 176.094 -0.438 0.000 1.061 423 V CA 1.671 63.700 62.300 -0.451 0.000 1.064 423 V CB -0.446 30.942 31.823 -0.726 0.000 0.670 423 V HN 0.228 nan 8.190 nan 0.000 0.461 424 F N 0.452 120.382 119.950 -0.034 0.000 2.317 424 F HA -0.048 4.479 4.527 -0.000 0.000 0.293 424 F C 2.695 178.482 175.800 -0.020 0.000 1.085 424 F CA 1.190 59.163 58.000 -0.045 0.000 1.390 424 F CB -0.821 38.117 39.000 -0.103 0.000 1.077 424 F HN 0.223 nan 8.300 nan 0.000 0.517 425 T N -2.998 111.650 114.554 0.156 0.000 2.937 425 T HA 0.262 4.612 4.350 -0.000 0.000 0.260 425 T C 1.965 176.696 174.700 0.051 0.000 1.051 425 T CA 0.893 63.093 62.100 0.166 0.000 1.141 425 T CB -0.355 68.634 68.868 0.202 0.000 0.879 425 T HN 0.450 nan 8.240 nan 0.000 0.459 426 G N 0.951 109.717 108.800 -0.056 0.000 2.176 426 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.253 426 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.253 426 G C -0.117 174.585 174.900 -0.329 0.000 0.979 426 G CA 0.260 45.236 45.100 -0.207 0.000 0.641 426 G HN 0.840 nan 8.290 nan 0.000 0.530 427 H N -1.235 117.839 119.070 0.007 0.000 2.569 427 H HA 0.634 5.190 4.556 -0.000 0.000 0.357 427 H C 0.211 175.543 175.328 0.007 0.000 1.153 427 H CA -0.967 55.083 56.048 0.004 0.000 1.193 427 H CB 1.763 31.524 29.762 -0.002 0.000 1.602 427 H HN 0.241 nan 8.280 nan 0.000 0.523 428 L N 1.965 123.267 121.223 0.131 0.000 2.490 428 L HA 0.210 4.550 4.340 -0.000 0.000 0.274 428 L C 0.841 177.764 176.870 0.090 0.000 1.201 428 L CA 0.387 55.275 54.840 0.080 0.000 0.869 428 L CB 0.136 42.228 42.059 0.055 0.000 1.123 428 L HN 0.834 nan 8.230 nan 0.000 0.484 429 G N 4.271 113.119 108.800 0.079 0.000 2.491 429 G HA2 0.257 4.217 3.960 -0.000 0.000 0.238 429 G HA3 0.257 4.217 3.960 -0.000 0.000 0.238 429 G C -0.541 174.401 174.900 0.069 0.000 1.277 429 G CA -0.519 44.639 45.100 0.096 0.000 0.851 429 G HN 0.584 nan 8.290 nan 0.000 0.573 430 K N 0.768 121.218 120.400 0.082 0.000 2.371 430 K HA 0.446 4.766 4.320 -0.000 0.000 0.251 430 K C -1.257 175.368 176.600 0.042 0.000 0.934 430 K CA -0.704 55.612 56.287 0.049 0.000 0.798 430 K CB 2.809 35.328 32.500 0.031 0.000 1.204 430 K HN 0.376 nan 8.250 nan 0.000 0.427 431 L N 2.439 123.672 121.223 0.017 0.000 2.349 431 L HA 0.439 4.779 4.340 -0.000 0.000 0.278 431 L C -1.185 175.690 176.870 0.008 0.000 0.996 431 L CA -0.905 53.938 54.840 0.004 0.000 0.825 431 L CB 1.708 43.762 42.059 -0.009 0.000 1.243 431 L HN 0.243 nan 8.230 nan 0.000 0.412 432 V N 5.591 125.509 119.914 0.008 0.000 2.417 432 V HA 0.444 4.564 4.120 -0.000 0.000 0.291 432 V C -2.116 173.989 176.094 0.018 0.000 1.024 432 V CA -1.846 60.462 62.300 0.013 0.000 0.861 432 V CB 1.304 33.129 31.823 0.003 0.000 0.985 432 V HN 0.665 nan 8.190 nan 0.000 0.436 433 P HA 0.058 nan 4.420 nan 0.000 0.267 433 P C 0.757 178.076 177.300 0.033 0.000 1.200 433 P CA -0.238 62.879 63.100 0.029 0.000 0.772 433 P CB 0.711 32.430 31.700 0.032 0.000 0.855 434 L N 3.952 125.193 121.223 0.030 0.000 2.013 434 L HA -0.220 4.120 4.340 -0.000 0.000 0.212 434 L C 1.883 178.764 176.870 0.018 0.000 1.073 434 L CA 2.046 56.900 54.840 0.023 0.000 0.753 434 L CB -0.796 41.289 42.059 0.043 0.000 0.890 434 L HN 0.231 nan 8.230 nan 0.000 0.432 435 K N -0.062 120.359 120.400 0.034 0.000 2.103 435 K HA -0.185 4.135 4.320 -0.000 0.000 0.207 435 K C 2.018 178.653 176.600 0.057 0.000 1.048 435 K CA 1.801 58.112 56.287 0.040 0.000 0.930 435 K CB -0.208 32.319 32.500 0.044 0.000 0.716 435 K HN 0.601 nan 8.250 nan 0.000 0.444 436 E N -0.253 119.986 120.200 0.066 0.000 2.107 436 E HA -0.082 4.268 4.350 -0.000 0.000 0.191 436 E C 1.913 178.599 176.600 0.143 0.000 0.982 436 E CA 1.076 57.531 56.400 0.093 0.000 0.809 436 E CB -0.010 29.737 29.700 0.079 0.000 0.756 436 E HN 0.247 nan 8.360 nan 0.000 0.459 437 T N 1.988 116.621 114.554 0.131 0.000 2.708 437 T HA -0.138 4.212 4.350 -0.000 0.000 0.266 437 T C 1.924 176.807 174.700 0.304 0.000 1.037 437 T CA 0.855 63.087 62.100 0.221 0.000 1.146 437 T CB -0.091 68.850 68.868 0.122 0.000 0.865 437 T HN 0.062 nan 8.240 nan 0.000 0.435 438 I N 1.502 122.141 120.570 0.115 0.000 2.163 438 I HA -0.159 4.011 4.170 -0.000 0.000 0.243 438 I C 2.451 178.662 176.117 0.158 0.000 1.085 438 I CA 1.567 62.911 61.300 0.073 0.000 1.347 438 I CB -1.095 36.884 38.000 -0.035 0.000 1.044 438 I HN 0.288 nan 8.210 nan 0.000 0.408 439 K N 0.914 121.395 120.400 0.136 0.000 2.026 439 K HA -0.150 4.170 4.320 -0.000 0.000 0.208 439 K C 2.200 178.888 176.600 0.147 0.000 1.048 439 K CA 1.660 58.022 56.287 0.124 0.000 0.929 439 K CB -0.405 32.154 32.500 0.098 0.000 0.713 439 K HN 0.348 nan 8.250 nan 0.000 0.439 440 G N 0.381 109.292 108.800 0.184 0.000 2.446 440 G HA2 -0.237 3.722 3.960 -0.000 0.000 0.217 440 G HA3 -0.237 3.722 3.960 -0.000 0.000 0.217 440 G C 1.255 176.149 174.900 -0.011 0.000 1.168 440 G CA 0.828 45.981 45.100 0.089 0.000 0.771 440 G HN 0.294 nan 8.290 nan 0.000 0.551 441 F N 0.504 120.598 119.950 0.240 0.000 2.325 441 F HA 0.064 4.591 4.527 -0.000 0.000 0.299 441 F C 2.841 178.684 175.800 0.072 0.000 1.090 441 F CA 1.267 59.361 58.000 0.158 0.000 1.392 441 F CB -0.131 38.958 39.000 0.148 0.000 1.053 441 F HN 0.170 nan 8.300 nan 0.000 0.521 442 Q N 0.392 120.327 119.800 0.226 0.000 2.050 442 Q HA -0.250 4.090 4.340 -0.000 0.000 0.202 442 Q C 2.141 178.189 176.000 0.080 0.000 0.980 442 Q CA 1.805 57.684 55.803 0.128 0.000 0.840 442 Q CB -0.099 28.700 28.738 0.102 0.000 0.898 442 Q HN 0.466 nan 8.270 nan 0.000 0.424 443 Q N -0.073 119.773 119.800 0.078 0.000 2.124 443 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 443 Q C 2.120 178.132 176.000 0.021 0.000 0.977 443 Q CA 1.449 57.272 55.803 0.033 0.000 0.850 443 Q CB -0.056 28.749 28.738 0.113 0.000 0.901 443 Q HN 0.476 nan 8.270 nan 0.000 0.429 444 I N 0.512 121.118 120.570 0.060 0.000 2.142 444 I HA -0.300 3.870 4.170 -0.000 0.000 0.240 444 I C 2.188 178.297 176.117 -0.014 0.000 1.078 444 I CA 1.102 62.402 61.300 -0.001 0.000 1.343 444 I CB -0.316 37.594 38.000 -0.150 0.000 1.046 444 I HN 0.200 nan 8.210 nan 0.000 0.405 445 L N 0.700 121.939 121.223 0.027 0.000 2.081 445 L HA -0.231 4.109 4.340 -0.000 0.000 0.212 445 L C 2.658 179.529 176.870 0.001 0.000 1.080 445 L CA 1.364 56.217 54.840 0.022 0.000 0.754 445 L CB -0.606 41.483 42.059 0.050 0.000 0.893 445 L HN 0.280 nan 8.230 nan 0.000 0.433 446 A N -0.727 122.090 122.820 -0.005 0.000 2.168 446 A HA 0.160 4.480 4.320 -0.000 0.000 0.215 446 A C 1.784 179.345 177.584 -0.038 0.000 1.152 446 A CA 0.931 52.955 52.037 -0.021 0.000 0.716 446 A CB -0.493 18.490 19.000 -0.029 0.000 0.794 446 A HN 0.566 nan 8.150 nan 0.000 0.465 447 G N -0.874 107.901 108.800 -0.043 0.000 2.141 447 G HA2 -0.269 3.690 3.960 -0.000 0.000 0.242 447 G HA3 -0.269 3.690 3.960 -0.000 0.000 0.242 447 G C 0.504 175.369 174.900 -0.059 0.000 0.982 447 G CA 0.593 45.671 45.100 -0.037 0.000 0.662 447 G HN 0.570 nan 8.290 nan 0.000 0.527 448 E N -1.107 118.996 120.200 -0.162 0.000 2.265 448 E HA -0.045 4.304 4.350 -0.000 0.000 0.196 448 E C 0.892 177.240 176.600 -0.420 0.000 0.996 448 E CA 1.006 57.196 56.400 -0.350 0.000 0.832 448 E CB -0.059 29.290 29.700 -0.584 0.000 0.756 448 E HN 0.806 nan 8.360 nan 0.000 0.491 449 Y N -0.587 119.743 120.300 0.049 0.000 2.716 449 Y HA 0.123 4.673 4.550 -0.000 0.000 0.260 449 Y C 0.768 176.605 175.900 -0.105 0.000 1.141 449 Y CA -0.689 57.371 58.100 -0.067 0.000 1.168 449 Y CB 0.641 39.152 38.460 0.085 0.000 1.189 449 Y HN -0.110 nan 8.280 nan 0.000 0.549 450 D N 0.143 120.606 120.400 0.104 0.000 2.221 450 D HA -0.194 4.446 4.640 -0.000 0.000 0.204 450 D C 2.051 178.409 176.300 0.097 0.000 0.982 450 D CA 1.580 55.626 54.000 0.078 0.000 0.857 450 D CB -0.092 40.753 40.800 0.075 0.000 0.934 450 D HN 0.610 nan 8.370 nan 0.000 0.475 451 H N -0.528 118.592 119.070 0.084 0.000 2.502 451 H HA 0.081 4.637 4.556 -0.000 0.000 0.283 451 H C 0.953 176.337 175.328 0.093 0.000 1.015 451 H CA 0.032 56.122 56.048 0.070 0.000 1.298 451 H CB -0.455 29.336 29.762 0.049 0.000 1.411 451 H HN 0.114 nan 8.280 nan 0.000 0.556 452 L N 3.650 124.702 121.223 -0.285 0.000 2.397 452 L HA 0.205 4.545 4.340 -0.000 0.000 0.271 452 L C -1.883 175.015 176.870 0.047 0.000 1.148 452 L CA -1.852 52.906 54.840 -0.136 0.000 0.825 452 L CB 0.661 42.595 42.059 -0.208 0.000 1.117 452 L HN 0.072 nan 8.230 nan 0.000 0.456 453 P HA 0.066 nan 4.420 nan 0.000 0.271 453 P C -0.035 177.348 177.300 0.139 0.000 1.218 453 P CA -0.221 62.909 63.100 0.050 0.000 0.780 453 P CB 0.871 32.575 31.700 0.005 0.000 0.901 454 E N 1.316 121.604 120.200 0.147 0.000 2.085 454 E HA -0.243 4.107 4.350 -0.000 0.000 0.194 454 E C 1.956 178.698 176.600 0.237 0.000 0.994 454 E CA 1.219 57.747 56.400 0.214 0.000 0.801 454 E CB -0.093 29.654 29.700 0.078 0.000 0.743 454 E HN 0.570 nan 8.360 nan 0.000 0.453 455 Q N 0.599 120.464 119.800 0.109 0.000 2.291 455 Q HA -0.096 4.244 4.340 -0.000 0.000 0.206 455 Q C 2.000 178.050 176.000 0.084 0.000 0.976 455 Q CA 1.381 57.237 55.803 0.089 0.000 0.875 455 Q CB -0.281 28.473 28.738 0.027 0.000 0.927 455 Q HN 0.212 nan 8.270 nan 0.000 0.450 456 A N 0.664 123.464 122.820 -0.034 0.000 1.972 456 A HA -0.069 4.251 4.320 -0.000 0.000 0.219 456 A C 1.521 178.918 177.584 -0.311 0.000 1.169 456 A CA 0.956 52.847 52.037 -0.242 0.000 0.635 456 A CB -0.742 17.977 19.000 -0.468 0.000 0.810 456 A HN 0.354 nan 8.150 nan 0.000 0.446 457 F N -2.524 117.418 119.950 -0.012 0.000 2.789 457 F HA 0.168 4.695 4.527 -0.000 0.000 0.300 457 F C 0.759 176.647 175.800 0.148 0.000 1.132 457 F CA -0.151 57.866 58.000 0.029 0.000 1.404 457 F CB -0.228 38.763 39.000 -0.014 0.000 1.114 457 F HN 0.284 nan 8.300 nan 0.000 0.584 458 Y N 1.336 121.713 120.300 0.128 0.000 2.335 458 Y HA 0.279 4.829 4.550 -0.000 0.000 0.331 458 Y C 0.739 176.632 175.900 -0.013 0.000 1.094 458 Y CA -1.553 56.591 58.100 0.073 0.000 1.253 458 Y CB 0.329 38.821 38.460 0.053 0.000 1.203 458 Y HN 0.028 nan 8.280 nan 0.000 0.508 459 M N 5.821 125.032 119.600 -0.648 0.000 2.212 459 M HA -0.170 4.310 4.480 -0.000 0.000 0.193 459 M C -1.074 175.004 176.300 -0.371 0.000 0.493 459 M CA 0.971 55.898 55.300 -0.621 0.000 0.427 459 M CB -2.633 29.439 32.600 -0.880 0.000 1.120 459 M HN 0.430 nan 8.290 nan 0.000 0.929 460 V N -3.172 116.631 119.914 -0.185 0.000 3.181 460 V HA 1.080 5.200 4.120 -0.000 0.000 0.314 460 V C 0.814 176.866 176.094 -0.069 0.000 1.173 460 V CA -0.091 62.151 62.300 -0.097 0.000 1.052 460 V CB 1.516 33.333 31.823 -0.010 0.000 1.123 460 V HN 0.393 nan 8.190 nan 0.000 0.454 461 G N -0.016 108.770 108.800 -0.024 0.000 2.992 461 G HA2 0.442 4.402 3.960 -0.000 0.000 0.195 461 G HA3 0.442 4.402 3.960 -0.000 0.000 0.195 461 G C -2.179 172.739 174.900 0.030 0.000 2.032 461 G CA -0.200 44.888 45.100 -0.019 0.000 0.831 461 G HN 0.768 nan 8.290 nan 0.000 0.647 462 P HA 0.161 nan 4.420 nan 0.000 0.274 462 P C 0.616 178.047 177.300 0.219 0.000 1.246 462 P CA -0.527 62.667 63.100 0.156 0.000 0.795 462 P CB 1.585 33.333 31.700 0.080 0.000 1.006 463 I N 0.917 121.606 120.570 0.198 0.000 2.454 463 I HA -0.242 3.928 4.170 -0.000 0.000 0.254 463 I C 1.841 177.824 176.117 -0.224 0.000 1.156 463 I CA 1.700 62.904 61.300 -0.160 0.000 1.433 463 I CB -0.706 37.114 38.000 -0.299 0.000 1.082 463 I HN 0.274 nan 8.210 nan 0.000 0.432 464 E N 0.402 120.546 120.200 -0.093 0.000 2.153 464 E HA -0.224 4.125 4.350 -0.000 0.000 0.194 464 E C 2.067 178.596 176.600 -0.119 0.000 0.988 464 E CA 1.287 57.630 56.400 -0.094 0.000 0.811 464 E CB -0.204 29.478 29.700 -0.030 0.000 0.746 464 E HN 0.574 nan 8.360 nan 0.000 0.466 465 E N -0.063 120.082 120.200 -0.092 0.000 2.150 465 E HA -0.099 4.251 4.350 -0.000 0.000 0.193 465 E C 1.977 178.472 176.600 -0.175 0.000 0.985 465 E CA 0.775 57.119 56.400 -0.095 0.000 0.814 465 E CB -0.074 29.598 29.700 -0.046 0.000 0.752 465 E HN 0.284 nan 8.360 nan 0.000 0.466 466 A N 0.808 123.462 122.820 -0.276 0.000 1.930 466 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 466 A C 2.435 179.680 177.584 -0.565 0.000 1.175 466 A CA 0.890 52.617 52.037 -0.517 0.000 0.627 466 A CB -0.445 18.051 19.000 -0.841 0.000 0.815 466 A HN 0.097 nan 8.150 nan 0.000 0.443 467 V N -0.155 119.479 119.914 -0.466 0.000 2.307 467 V HA -0.230 3.889 4.120 -0.000 0.000 0.245 467 V C 3.070 179.048 176.094 -0.193 0.000 1.045 467 V CA 1.937 64.043 62.300 -0.323 0.000 1.024 467 V CB -1.203 30.498 31.823 -0.205 0.000 0.651 467 V HN 0.597 nan 8.190 nan 0.000 0.449 468 A N -0.420 122.309 122.820 -0.151 0.000 1.933 468 A HA -0.274 4.046 4.320 -0.000 0.000 0.218 468 A C 2.335 179.860 177.584 -0.097 0.000 1.175 468 A CA 2.224 54.203 52.037 -0.095 0.000 0.628 468 A CB -0.492 18.466 19.000 -0.070 0.000 0.814 468 A HN 0.526 nan 8.150 nan 0.000 0.444 469 K N -0.413 119.907 120.400 -0.134 0.000 2.057 469 K HA -0.058 4.262 4.320 -0.000 0.000 0.207 469 K C 2.111 178.640 176.600 -0.117 0.000 1.049 469 K CA 1.127 57.345 56.287 -0.115 0.000 0.931 469 K CB -0.290 32.128 32.500 -0.136 0.000 0.714 469 K HN 0.381 nan 8.250 nan 0.000 0.440 470 A N 1.211 123.927 122.820 -0.173 0.000 1.969 470 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 470 A C 1.477 179.015 177.584 -0.075 0.000 1.169 470 A CA 1.844 53.795 52.037 -0.143 0.000 0.635 470 A CB -0.392 18.483 19.000 -0.208 0.000 0.810 470 A HN 0.342 nan 8.150 nan 0.000 0.445 471 D N -0.098 120.261 120.400 -0.067 0.000 2.178 471 D HA -0.083 4.557 4.640 -0.000 0.000 0.202 471 D C 1.858 178.144 176.300 -0.024 0.000 0.974 471 D CA 1.183 55.163 54.000 -0.033 0.000 0.841 471 D CB -0.169 40.614 40.800 -0.028 0.000 0.953 471 D HN 0.492 nan 8.370 nan 0.000 0.478 472 K N -0.106 120.276 120.400 -0.030 0.000 2.217 472 K HA 0.045 4.365 4.320 -0.000 0.000 0.202 472 K C 2.099 178.691 176.600 -0.013 0.000 1.051 472 K CA 0.361 56.637 56.287 -0.018 0.000 0.952 472 K CB 0.110 32.600 32.500 -0.016 0.000 0.736 472 K HN 0.147 nan 8.250 nan 0.000 0.453 473 L N 0.301 121.512 121.223 -0.019 0.000 2.072 473 L HA -0.039 4.300 4.340 -0.000 0.000 0.205 473 L C 1.074 177.940 176.870 -0.006 0.000 1.079 473 L CA 0.570 55.403 54.840 -0.012 0.000 0.752 473 L CB -0.047 42.000 42.059 -0.019 0.000 0.906 473 L HN 0.106 nan 8.230 nan 0.000 0.436 474 A N 0.000 122.816 122.820 -0.007 0.000 2.254 474 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 474 A CA 0.000 52.038 52.037 0.002 0.000 0.836 474 A CB 0.000 19.005 19.000 0.008 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486