REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1efr_1_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 0.000 174.891 174.700 0.319 0.000 1.109 9 T CA 0.000 62.239 62.100 0.232 0.000 1.349 9 T CB 0.000 69.022 68.868 0.257 0.000 0.612 10 T N -0.154 114.511 114.554 0.184 0.000 2.977 10 T HA 0.731 5.081 4.350 0.000 0.000 0.346 10 T C 0.712 175.143 174.700 -0.450 0.000 1.140 10 T CA -0.384 61.680 62.100 -0.059 0.000 1.040 10 T CB 0.850 69.683 68.868 -0.058 0.000 1.046 10 T HN 1.152 nan 8.240 nan 0.000 0.494 11 G N 2.179 110.300 108.800 -1.130 0.000 2.557 11 G HA2 0.649 4.609 3.960 0.000 0.000 0.292 11 G HA3 0.649 4.609 3.960 0.000 0.000 0.292 11 G C -0.544 174.008 174.900 -0.581 0.000 1.237 11 G CA -1.167 43.077 45.100 -1.427 0.000 0.978 11 G HN 0.758 nan 8.290 nan 0.000 0.498 12 R N -0.668 119.584 120.500 -0.413 0.000 2.621 12 R HA 0.311 4.651 4.340 0.000 0.000 0.292 12 R C -0.380 175.832 176.300 -0.147 0.000 0.969 12 R CA -0.796 55.175 56.100 -0.215 0.000 0.887 12 R CB 2.355 32.563 30.300 -0.154 0.000 1.180 12 R HN 0.367 nan 8.270 nan 0.000 0.450 13 I N 3.328 123.839 120.570 -0.099 0.000 2.664 13 I HA -0.114 4.056 4.170 0.000 0.000 0.284 13 I C 1.150 177.239 176.117 -0.046 0.000 1.154 13 I CA 0.274 61.539 61.300 -0.058 0.000 1.402 13 I CB 0.900 38.876 38.000 -0.040 0.000 1.395 13 I HN 0.525 nan 8.210 nan 0.000 0.545 14 V N 6.558 126.452 119.914 -0.033 0.000 2.795 14 V HA 0.232 4.352 4.120 0.000 0.000 0.243 14 V C 0.709 176.795 176.094 -0.014 0.000 1.069 14 V CA 0.992 63.278 62.300 -0.023 0.000 1.089 14 V CB 0.409 32.222 31.823 -0.016 0.000 0.756 14 V HN 0.864 nan 8.190 nan 0.000 0.471 15 A N -0.825 121.990 122.820 -0.008 0.000 2.604 15 A HA 0.744 5.064 4.320 0.000 0.000 0.295 15 A C -1.644 175.939 177.584 -0.002 0.000 1.067 15 A CA -0.355 51.680 52.037 -0.004 0.000 0.683 15 A CB 2.087 21.087 19.000 -0.001 0.000 1.281 15 A HN -0.022 nan 8.150 nan 0.000 0.407 16 V N 1.371 121.284 119.914 -0.003 0.000 2.668 16 V HA 0.590 4.710 4.120 0.000 0.000 0.304 16 V C -1.399 174.694 176.094 -0.002 0.000 1.071 16 V CA -0.130 62.170 62.300 -0.001 0.000 0.894 16 V CB 1.489 33.310 31.823 -0.003 0.000 1.008 16 V HN 0.689 nan 8.190 nan 0.000 0.425 17 I N 4.381 124.951 120.570 -0.001 0.000 2.540 17 I HA 0.695 4.865 4.170 0.000 0.000 0.280 17 I C 0.728 176.844 176.117 -0.003 0.000 1.083 17 I CA 0.707 62.006 61.300 -0.002 0.000 1.080 17 I CB 1.488 39.487 38.000 -0.002 0.000 1.205 17 I HN 0.874 nan 8.210 nan 0.000 0.459 18 G N 4.532 113.330 108.800 -0.003 0.000 2.591 18 G HA2 -0.256 3.704 3.960 0.000 0.000 0.298 18 G HA3 -0.256 3.704 3.960 0.000 0.000 0.298 18 G C 0.846 175.744 174.900 -0.003 0.000 1.195 18 G CA 0.573 45.670 45.100 -0.004 0.000 0.989 18 G HN 1.055 nan 8.290 nan 0.000 0.551 19 A N -0.703 122.114 122.820 -0.004 0.000 2.307 19 A HA 0.598 4.918 4.320 0.000 0.000 0.218 19 A C 0.741 178.326 177.584 0.002 0.000 1.228 19 A CA 1.308 53.344 52.037 -0.002 0.000 0.857 19 A CB 0.095 19.093 19.000 -0.005 0.000 0.897 19 A HN 1.400 nan 8.150 nan 0.000 0.495 20 V N 1.407 121.322 119.914 0.001 0.000 2.311 20 V HA 0.291 4.411 4.120 0.000 0.000 0.275 20 V C -0.510 175.590 176.094 0.009 0.000 1.022 20 V CA -0.419 61.884 62.300 0.006 0.000 0.830 20 V CB 1.106 32.931 31.823 0.003 0.000 1.012 20 V HN 0.097 nan 8.190 nan 0.000 0.452 21 V N 4.042 123.965 119.914 0.015 0.000 2.398 21 V HA 0.444 4.564 4.120 0.000 0.000 0.286 21 V C -0.467 175.643 176.094 0.027 0.000 1.026 21 V CA -0.638 61.672 62.300 0.017 0.000 0.868 21 V CB 1.907 33.740 31.823 0.017 0.000 0.982 21 V HN 0.758 nan 8.190 nan 0.000 0.443 22 D N 3.560 123.974 120.400 0.023 0.000 2.232 22 D HA 0.550 5.190 4.640 0.000 0.000 0.242 22 D C -0.526 175.791 176.300 0.027 0.000 1.093 22 D CA 0.050 54.069 54.000 0.032 0.000 0.845 22 D CB 1.993 42.807 40.800 0.024 0.000 1.124 22 D HN 0.264 nan 8.370 nan 0.000 0.467 23 V N 2.624 122.571 119.914 0.056 0.000 2.540 23 V HA 0.326 4.446 4.120 0.000 0.000 0.302 23 V C -0.106 176.023 176.094 0.059 0.000 1.035 23 V CA -0.932 61.385 62.300 0.028 0.000 0.873 23 V CB 1.895 33.754 31.823 0.060 0.000 0.992 23 V HN 0.408 nan 8.190 nan 0.000 0.428 24 Q N 2.991 122.759 119.800 -0.054 0.000 2.241 24 Q HA 0.619 4.959 4.340 0.000 0.000 0.254 24 Q C -1.820 174.092 176.000 -0.147 0.000 0.917 24 Q CA -0.380 55.411 55.803 -0.021 0.000 0.919 24 Q CB 1.312 30.026 28.738 -0.040 0.000 1.237 24 Q HN 0.600 nan 8.270 nan 0.000 0.434 25 F N 1.646 121.569 119.950 -0.045 0.000 2.507 25 F HA 0.305 4.832 4.527 -0.000 0.000 0.327 25 F C 0.627 176.401 175.800 -0.042 0.000 1.068 25 F CA -0.490 57.483 58.000 -0.045 0.000 0.965 25 F CB 1.900 40.866 39.000 -0.057 0.000 1.192 25 F HN 0.657 nan 8.300 nan 0.000 0.476 26 D N 0.161 120.637 120.400 0.128 0.000 2.394 26 D HA -0.011 4.629 4.640 0.000 0.000 0.226 26 D C 1.258 177.599 176.300 0.070 0.000 0.990 26 D CA 0.771 54.810 54.000 0.064 0.000 0.902 26 D CB 0.475 41.285 40.800 0.016 0.000 1.038 26 D HN 0.525 nan 8.370 nan 0.000 0.499 27 E N 0.528 120.788 120.200 0.100 0.000 2.288 27 E HA 0.191 4.541 4.350 0.000 0.000 0.200 27 E C 1.151 177.777 176.600 0.045 0.000 0.880 27 E CA 0.319 56.756 56.400 0.062 0.000 0.971 27 E CB 0.579 30.307 29.700 0.048 0.000 0.954 27 E HN 0.023 nan 8.360 nan 0.000 0.489 28 G N 2.109 110.947 108.800 0.064 0.000 2.644 28 G HA2 0.469 4.429 3.960 0.000 0.000 0.300 28 G HA3 0.469 4.429 3.960 0.000 0.000 0.300 28 G C -1.196 173.572 174.900 -0.219 0.000 1.395 28 G CA -0.504 44.568 45.100 -0.047 0.000 0.964 28 G HN -0.076 nan 8.290 nan 0.000 0.511 29 L N 4.959 126.033 121.223 -0.249 0.000 2.313 29 L HA 0.438 4.778 4.340 0.000 0.000 0.282 29 L C -1.712 174.910 176.870 -0.414 0.000 1.092 29 L CA -2.330 52.252 54.840 -0.429 0.000 0.831 29 L CB 0.841 42.671 42.059 -0.382 0.000 1.159 29 L HN 0.297 nan 8.230 nan 0.000 0.442 30 P HA 0.294 nan 4.420 nan 0.000 0.275 30 P C -2.730 174.565 177.300 -0.008 0.000 1.227 30 P CA -1.428 61.492 63.100 -0.301 0.000 0.781 30 P CB -0.007 31.476 31.700 -0.362 0.000 0.906 31 P HA 0.198 nan 4.420 nan 0.000 0.274 31 P C 0.272 177.566 177.300 -0.010 0.000 1.246 31 P CA -0.218 62.916 63.100 0.057 0.000 0.795 31 P CB 0.454 32.144 31.700 -0.017 0.000 1.006 32 I N 2.064 122.547 120.570 -0.145 0.000 2.710 32 I HA -0.078 4.092 4.170 0.000 0.000 0.286 32 I C 1.407 177.438 176.117 -0.144 0.000 1.181 32 I CA 0.554 61.753 61.300 -0.169 0.000 1.430 32 I CB -0.377 37.472 38.000 -0.252 0.000 1.367 32 I HN 0.423 nan 8.210 nan 0.000 0.577 33 L N 2.036 123.170 121.223 -0.149 0.000 4.126 33 L HA -0.214 4.126 4.340 0.000 0.000 0.410 33 L C 0.080 176.890 176.870 -0.100 0.000 0.804 33 L CA 0.069 54.781 54.840 -0.213 0.000 2.157 33 L CB -1.507 40.346 42.059 -0.342 0.000 1.460 33 L HN 0.691 nan 8.230 nan 0.000 0.573 34 N N 1.163 119.830 118.700 -0.055 0.000 2.530 34 N HA 0.534 5.274 4.740 0.000 0.000 0.273 34 N C 0.195 175.709 175.510 0.006 0.000 1.173 34 N CA 0.832 53.868 53.050 -0.022 0.000 0.967 34 N CB 1.172 39.638 38.487 -0.036 0.000 1.109 34 N HN 0.282 nan 8.380 nan 0.000 0.453 35 A N 2.920 125.753 122.820 0.021 0.000 2.260 35 A HA 0.532 4.853 4.320 0.000 0.000 0.308 35 A C -0.289 177.318 177.584 0.038 0.000 1.254 35 A CA -0.592 51.466 52.037 0.035 0.000 0.874 35 A CB -0.047 18.976 19.000 0.038 0.000 1.153 35 A HN 0.622 nan 8.150 nan 0.000 0.527 36 L N 1.743 123.000 121.223 0.057 0.000 2.344 36 L HA 0.565 4.905 4.340 0.000 0.000 0.272 36 L C -0.061 176.844 176.870 0.058 0.000 1.035 36 L CA -0.800 54.089 54.840 0.081 0.000 0.807 36 L CB 1.269 43.411 42.059 0.139 0.000 1.237 36 L HN 0.571 nan 8.230 nan 0.000 0.442 37 E N 1.887 122.119 120.200 0.053 0.000 2.129 37 E HA 0.296 4.646 4.350 0.000 0.000 0.268 37 E C -0.880 175.735 176.600 0.025 0.000 0.900 37 E CA -0.638 55.780 56.400 0.031 0.000 0.755 37 E CB 2.610 32.321 29.700 0.018 0.000 1.117 37 E HN 0.232 nan 8.360 nan 0.000 0.410 38 V N 4.064 123.988 119.914 0.017 0.000 2.585 38 V HA -0.055 4.065 4.120 0.000 0.000 0.296 38 V C 0.612 176.705 176.094 -0.002 0.000 1.035 38 V CA -0.017 62.286 62.300 0.005 0.000 1.084 38 V CB 0.627 32.452 31.823 0.003 0.000 0.953 38 V HN 0.486 nan 8.190 nan 0.000 0.483 39 Q N 2.728 122.522 119.800 -0.011 0.000 2.235 39 Q HA 0.486 4.826 4.340 0.000 0.000 0.250 39 Q C 0.897 176.889 176.000 -0.014 0.000 0.909 39 Q CA 0.394 56.189 55.803 -0.013 0.000 0.910 39 Q CB 1.475 30.203 28.738 -0.018 0.000 1.223 39 Q HN 1.152 nan 8.270 nan 0.000 0.432 40 G N 2.269 111.062 108.800 -0.011 0.000 2.325 40 G HA2 -0.224 3.736 3.960 0.000 0.000 0.248 40 G HA3 -0.224 3.736 3.960 0.000 0.000 0.248 40 G C -0.301 174.594 174.900 -0.008 0.000 1.108 40 G CA -0.260 44.834 45.100 -0.011 0.000 0.881 40 G HN 0.432 nan 8.290 nan 0.000 0.494 41 R N -1.001 119.495 120.500 -0.006 0.000 2.673 41 R HA 0.415 4.755 4.340 0.000 0.000 0.281 41 R C 0.995 177.293 176.300 -0.003 0.000 0.991 41 R CA -0.683 55.414 56.100 -0.004 0.000 0.896 41 R CB 1.315 31.613 30.300 -0.003 0.000 1.201 41 R HN 0.253 nan 8.270 nan 0.000 0.457 42 E N 0.298 120.497 120.200 -0.003 0.000 2.118 42 E HA -0.151 4.199 4.350 0.000 0.000 0.195 42 E C 0.615 177.214 176.600 -0.001 0.000 0.992 42 E CA 1.677 58.076 56.400 -0.002 0.000 0.804 42 E CB 0.124 29.823 29.700 -0.001 0.000 0.741 42 E HN 0.639 nan 8.360 nan 0.000 0.458 43 T N -2.151 112.403 114.554 -0.000 0.000 2.901 43 T HA 0.415 4.765 4.350 0.000 0.000 0.293 43 T C -0.350 174.351 174.700 0.002 0.000 1.084 43 T CA -1.127 60.974 62.100 0.001 0.000 1.008 43 T CB 2.037 70.906 68.868 0.002 0.000 1.170 43 T HN -0.071 nan 8.240 nan 0.000 0.509 44 R N 0.421 120.922 120.500 0.003 0.000 2.537 44 R HA 0.305 4.645 4.340 0.000 0.000 0.281 44 R C -1.021 175.283 176.300 0.007 0.000 0.988 44 R CA -0.262 55.840 56.100 0.004 0.000 1.077 44 R CB -0.112 30.191 30.300 0.004 0.000 0.932 44 R HN 0.567 nan 8.270 nan 0.000 0.409 45 L N 5.868 127.096 121.223 0.008 0.000 2.442 45 L HA 0.306 4.646 4.340 0.000 0.000 0.261 45 L C -1.340 175.540 176.870 0.017 0.000 1.000 45 L CA -0.477 54.370 54.840 0.012 0.000 0.882 45 L CB 1.701 43.765 42.059 0.009 0.000 1.207 45 L HN 0.305 nan 8.230 nan 0.000 0.443 46 V N 5.382 125.308 119.914 0.020 0.000 2.567 46 V HA 0.430 4.550 4.120 0.000 0.000 0.289 46 V C 0.155 176.269 176.094 0.033 0.000 1.049 46 V CA -0.440 61.876 62.300 0.027 0.000 0.969 46 V CB 1.542 33.381 31.823 0.028 0.000 0.995 46 V HN 0.541 nan 8.190 nan 0.000 0.471 47 L N 4.023 125.271 121.223 0.041 0.000 2.333 47 L HA 0.557 4.897 4.340 0.000 0.000 0.280 47 L C 0.005 176.905 176.870 0.051 0.000 1.004 47 L CA -0.305 54.562 54.840 0.046 0.000 0.820 47 L CB 1.787 43.878 42.059 0.054 0.000 1.247 47 L HN 0.681 nan 8.230 nan 0.000 0.416 48 E N 2.987 123.216 120.200 0.048 0.000 2.146 48 E HA 0.299 4.649 4.350 0.000 0.000 0.282 48 E C -0.862 175.755 176.600 0.028 0.000 0.989 48 E CA -0.765 55.662 56.400 0.045 0.000 0.799 48 E CB 1.667 31.410 29.700 0.071 0.000 1.088 48 E HN 0.334 nan 8.360 nan 0.000 0.397 49 V N 4.418 124.342 119.914 0.017 0.000 2.557 49 V HA -0.007 4.113 4.120 0.000 0.000 0.301 49 V C 0.981 177.062 176.094 -0.020 0.000 1.026 49 V CA 1.130 63.439 62.300 0.016 0.000 1.137 49 V CB 0.749 32.582 31.823 0.018 0.000 0.917 49 V HN 0.903 nan 8.190 nan 0.000 0.484 50 A N 4.351 127.169 122.820 -0.004 0.000 2.013 50 A HA 0.310 4.630 4.320 0.000 0.000 0.204 50 A C 0.627 178.185 177.584 -0.043 0.000 1.262 50 A CA 0.522 52.542 52.037 -0.028 0.000 0.800 50 A CB 0.321 19.315 19.000 -0.010 0.000 0.909 50 A HN 0.900 nan 8.150 nan 0.000 0.472 51 Q N -1.358 118.439 119.800 -0.006 0.000 2.702 51 Q HA 0.315 4.655 4.340 0.000 0.000 0.289 51 Q C -1.824 174.245 176.000 0.115 0.000 0.923 51 Q CA -0.735 55.054 55.803 -0.022 0.000 0.787 51 Q CB 0.493 29.224 28.738 -0.012 0.000 1.476 51 Q HN 0.508 nan 8.270 nan 0.000 0.402 52 H N 1.463 120.525 119.070 -0.014 0.000 2.741 52 H HA 0.287 4.843 4.556 0.000 0.000 0.282 52 H C 0.563 175.891 175.328 -0.000 0.000 1.122 52 H CA -0.475 55.569 56.048 -0.008 0.000 1.293 52 H CB 0.908 30.660 29.762 -0.017 0.000 1.415 52 H HN 0.411 nan 8.280 nan 0.000 0.472 53 L N 2.928 124.224 121.223 0.122 0.000 2.551 53 L HA 0.060 4.400 4.340 0.000 0.000 0.228 53 L C 1.327 178.228 176.870 0.052 0.000 1.153 53 L CA 0.516 55.397 54.840 0.068 0.000 0.851 53 L CB -0.474 41.614 42.059 0.050 0.000 0.959 53 L HN 0.901 nan 8.230 nan 0.000 0.451 54 G N 0.257 109.090 108.800 0.056 0.000 2.796 54 G HA2 -0.238 3.722 3.960 0.000 0.000 0.571 54 G HA3 -0.238 3.722 3.960 0.000 0.000 0.571 54 G C 0.145 175.052 174.900 0.012 0.000 1.370 54 G CA -0.221 44.896 45.100 0.029 0.000 0.856 54 G HN 0.366 nan 8.290 nan 0.000 0.538 55 E N -1.234 118.969 120.200 0.005 0.000 2.791 55 E HA -0.226 4.124 4.350 0.000 0.000 0.271 55 E C 1.099 177.700 176.600 0.002 0.000 1.044 55 E CA 1.336 57.738 56.400 0.004 0.000 0.814 55 E CB -1.504 28.200 29.700 0.007 0.000 1.400 55 E HN 2.036 nan 8.360 nan 0.000 0.423 56 S N -2.104 113.588 115.700 -0.014 0.000 3.380 56 S HA -0.226 4.244 4.470 0.000 0.000 0.300 56 S C 0.212 174.826 174.600 0.023 0.000 1.255 56 S CA 1.517 59.709 58.200 -0.013 0.000 0.963 56 S CB -1.125 62.085 63.200 0.016 0.000 1.106 56 S HN 0.449 nan 8.310 nan 0.000 0.629 57 T N 1.370 115.933 114.554 0.015 0.000 2.895 57 T HA 0.671 5.021 4.350 0.000 0.000 0.283 57 T C 0.186 174.918 174.700 0.054 0.000 1.014 57 T CA -0.301 61.830 62.100 0.051 0.000 1.037 57 T CB 1.973 70.865 68.868 0.040 0.000 1.006 57 T HN 0.636 nan 8.240 nan 0.000 0.468 58 V N 0.442 120.419 119.914 0.104 0.000 2.656 58 V HA 0.740 4.860 4.120 0.000 0.000 0.307 58 V C -0.443 175.718 176.094 0.111 0.000 1.051 58 V CA -1.380 60.998 62.300 0.130 0.000 0.893 58 V CB 1.674 33.587 31.823 0.151 0.000 0.999 58 V HN 0.873 nan 8.190 nan 0.000 0.426 59 R N 2.849 123.406 120.500 0.095 0.000 2.297 59 R HA 0.746 5.086 4.340 0.000 0.000 0.308 59 R C -0.007 176.326 176.300 0.056 0.000 1.029 59 R CA 0.492 56.630 56.100 0.062 0.000 0.929 59 R CB 1.335 31.660 30.300 0.043 0.000 1.046 59 R HN 1.179 nan 8.270 nan 0.000 0.461 60 T N 1.327 115.910 114.554 0.048 0.000 2.901 60 T HA 0.526 4.876 4.350 0.000 0.000 0.293 60 T C -0.222 174.495 174.700 0.028 0.000 1.084 60 T CA -0.891 61.234 62.100 0.042 0.000 1.008 60 T CB 1.136 70.039 68.868 0.059 0.000 1.170 60 T HN 0.452 nan 8.240 nan 0.000 0.509 61 I N 1.867 122.452 120.570 0.025 0.000 2.382 61 I HA 0.557 4.727 4.170 0.000 0.000 0.286 61 I C 0.757 176.888 176.117 0.023 0.000 1.002 61 I CA -1.207 60.103 61.300 0.018 0.000 1.135 61 I CB 1.438 39.446 38.000 0.014 0.000 1.288 61 I HN 0.980 nan 8.210 nan 0.000 0.448 62 A N 7.300 130.131 122.820 0.018 0.000 2.445 62 A HA 0.336 4.656 4.320 0.000 0.000 0.242 62 A C 0.852 178.448 177.584 0.019 0.000 1.075 62 A CA -0.066 51.983 52.037 0.019 0.000 0.777 62 A CB 0.356 19.364 19.000 0.013 0.000 1.013 62 A HN 0.765 nan 8.150 nan 0.000 0.493 63 M N 0.834 120.447 119.600 0.022 0.000 2.431 63 M HA 0.205 4.685 4.480 0.000 0.000 0.237 63 M C -0.179 176.131 176.300 0.018 0.000 1.130 63 M CA 0.534 55.847 55.300 0.022 0.000 1.002 63 M CB -1.026 31.590 32.600 0.028 0.000 1.524 63 M HN 0.790 nan 8.290 nan 0.000 0.482 64 D N -1.127 119.282 120.400 0.014 0.000 2.692 64 D HA 0.387 5.027 4.640 0.000 0.000 0.290 64 D C -0.581 175.724 176.300 0.008 0.000 1.281 64 D CA -0.160 53.846 54.000 0.011 0.000 0.804 64 D CB 1.245 42.052 40.800 0.011 0.000 1.331 64 D HN 0.128 nan 8.370 nan 0.000 0.432 65 G N -0.534 108.270 108.800 0.006 0.000 2.287 65 G HA2 0.269 4.229 3.960 0.000 0.000 0.235 65 G HA3 0.269 4.229 3.960 0.000 0.000 0.235 65 G C 0.941 175.843 174.900 0.003 0.000 1.258 65 G CA 0.806 45.908 45.100 0.004 0.000 0.884 65 G HN 0.417 nan 8.290 nan 0.000 0.518 66 T N -1.174 113.381 114.554 0.002 0.000 3.086 66 T HA 0.179 4.529 4.350 0.000 0.000 0.250 66 T C 0.501 175.201 174.700 -0.001 0.000 1.074 66 T CA -0.011 62.090 62.100 0.001 0.000 0.988 66 T CB -0.005 68.864 68.868 0.001 0.000 0.988 66 T HN 0.581 nan 8.240 nan 0.000 0.530 67 E N 1.471 121.670 120.200 -0.001 0.000 2.415 67 E HA 0.459 4.809 4.350 0.000 0.000 0.262 67 E C 1.422 178.020 176.600 -0.003 0.000 1.038 67 E CA 0.353 56.752 56.400 -0.002 0.000 0.921 67 E CB -0.476 29.223 29.700 -0.001 0.000 0.950 67 E HN 0.277 nan 8.360 nan 0.000 0.438 68 G N 1.362 110.159 108.800 -0.004 0.000 2.299 68 G HA2 -0.297 3.663 3.960 0.000 0.000 0.237 68 G HA3 -0.297 3.663 3.960 0.000 0.000 0.237 68 G C 0.193 175.089 174.900 -0.007 0.000 1.027 68 G CA 0.016 45.113 45.100 -0.005 0.000 0.619 68 G HN 0.458 nan 8.290 nan 0.000 0.513 69 L N 0.935 122.155 121.223 -0.006 0.000 2.529 69 L HA 0.394 4.734 4.340 0.000 0.000 0.287 69 L C 0.621 177.485 176.870 -0.011 0.000 1.241 69 L CA 0.150 54.985 54.840 -0.009 0.000 0.857 69 L CB 0.705 42.760 42.059 -0.007 0.000 1.113 69 L HN 0.084 nan 8.230 nan 0.000 0.504 70 V N 2.246 122.151 119.914 -0.015 0.000 2.789 70 V HA 0.386 4.506 4.120 0.000 0.000 0.311 70 V C -0.006 176.075 176.094 -0.021 0.000 1.073 70 V CA -1.008 61.283 62.300 -0.016 0.000 0.921 70 V CB 1.914 33.728 31.823 -0.016 0.000 1.009 70 V HN 0.656 nan 8.190 nan 0.000 0.426 71 R N 1.841 122.329 120.500 -0.020 0.000 2.570 71 R HA 0.421 4.761 4.340 0.000 0.000 0.277 71 R C 1.365 177.647 176.300 -0.031 0.000 1.039 71 R CA 1.162 57.247 56.100 -0.024 0.000 1.065 71 R CB 0.156 30.444 30.300 -0.020 0.000 0.964 71 R HN 1.247 nan 8.270 nan 0.000 0.428 72 G N 1.376 110.152 108.800 -0.041 0.000 2.258 72 G HA2 -0.344 3.616 3.960 0.000 0.000 0.233 72 G HA3 -0.344 3.616 3.960 0.000 0.000 0.233 72 G C 0.256 175.122 174.900 -0.057 0.000 1.006 72 G CA 0.119 45.190 45.100 -0.049 0.000 0.620 72 G HN 0.610 nan 8.290 nan 0.000 0.511 73 Q N 1.503 121.274 119.800 -0.049 0.000 2.326 73 Q HA 0.263 4.603 4.340 0.000 0.000 0.314 73 Q C 0.247 176.205 176.000 -0.072 0.000 1.091 73 Q CA 0.445 56.219 55.803 -0.050 0.000 0.974 73 Q CB 0.367 29.083 28.738 -0.037 0.000 1.220 73 Q HN 0.341 nan 8.270 nan 0.000 0.398 74 K N 2.374 122.734 120.400 -0.068 0.000 2.249 74 K HA 0.294 4.614 4.320 0.000 0.000 0.280 74 K C -0.931 175.622 176.600 -0.079 0.000 1.033 74 K CA -0.289 55.945 56.287 -0.088 0.000 0.946 74 K CB 1.232 33.691 32.500 -0.068 0.000 1.005 74 K HN 0.355 nan 8.250 nan 0.000 0.469 75 V N 3.603 123.446 119.914 -0.117 0.000 2.656 75 V HA 0.344 4.464 4.120 0.000 0.000 0.307 75 V C -0.709 175.374 176.094 -0.018 0.000 1.051 75 V CA -1.062 61.201 62.300 -0.062 0.000 0.893 75 V CB 1.904 33.691 31.823 -0.059 0.000 0.999 75 V HN 0.547 nan 8.190 nan 0.000 0.426 76 L N 3.128 124.388 121.223 0.063 0.000 2.313 76 L HA 0.564 4.904 4.340 0.000 0.000 0.283 76 L C -0.170 176.800 176.870 0.165 0.000 1.013 76 L CA -0.131 54.775 54.840 0.110 0.000 0.816 76 L CB 1.580 43.671 42.059 0.053 0.000 1.236 76 L HN 0.722 nan 8.230 nan 0.000 0.419 77 D N 1.706 122.239 120.400 0.222 0.000 2.363 77 D HA -0.015 4.625 4.640 0.000 0.000 0.263 77 D C 1.257 177.585 176.300 0.048 0.000 1.258 77 D CA 0.638 54.706 54.000 0.114 0.000 0.907 77 D CB 1.139 41.943 40.800 0.006 0.000 1.107 77 D HN 0.595 nan 8.370 nan 0.000 0.495 78 S N 3.160 118.880 115.700 0.032 0.000 2.442 78 S HA -0.046 4.424 4.470 0.000 0.000 0.236 78 S C 1.780 176.376 174.600 -0.007 0.000 1.007 78 S CA 1.026 59.231 58.200 0.008 0.000 0.965 78 S CB -0.413 62.787 63.200 0.000 0.000 0.773 78 S HN 0.968 nan 8.310 nan 0.000 0.504 79 G N 0.052 108.845 108.800 -0.012 0.000 2.176 79 G HA2 0.068 4.028 3.960 0.000 0.000 0.253 79 G HA3 0.068 4.028 3.960 0.000 0.000 0.253 79 G C 0.186 175.074 174.900 -0.020 0.000 0.979 79 G CA 0.058 45.144 45.100 -0.022 0.000 0.641 79 G HN 1.634 nan 8.290 nan 0.000 0.530 80 A N -0.750 122.062 122.820 -0.013 0.000 2.568 80 A HA 0.956 5.276 4.320 0.000 0.000 0.291 80 A C -3.030 174.560 177.584 0.010 0.000 1.159 80 A CA -0.578 51.456 52.037 -0.004 0.000 0.679 80 A CB 1.240 20.238 19.000 -0.002 0.000 1.285 80 A HN 0.170 nan 8.150 nan 0.000 0.428 81 P HA 0.431 nan 4.420 nan 0.000 0.279 81 P C -0.413 176.932 177.300 0.076 0.000 1.276 81 P CA -0.492 62.649 63.100 0.068 0.000 0.801 81 P CB 0.278 32.050 31.700 0.119 0.000 1.127 82 I N 1.037 121.670 120.570 0.105 0.000 2.845 82 I HA -0.080 4.090 4.170 0.000 0.000 0.290 82 I C 1.094 177.246 176.117 0.059 0.000 1.202 82 I CA 0.924 62.266 61.300 0.069 0.000 1.406 82 I CB -0.398 37.641 38.000 0.065 0.000 1.383 82 I HN 0.157 nan 8.210 nan 0.000 0.549 83 R N 7.501 128.031 120.500 0.051 0.000 2.532 83 R HA 0.772 5.112 4.340 0.000 0.000 0.295 83 R C -0.495 175.897 176.300 0.153 0.000 0.968 83 R CA -0.715 55.437 56.100 0.087 0.000 0.916 83 R CB 2.109 32.453 30.300 0.074 0.000 1.124 83 R HN 0.605 nan 8.270 nan 0.000 0.463 84 I N -1.718 118.974 120.570 0.203 0.000 2.865 84 I HA 0.574 4.744 4.170 0.000 0.000 0.302 84 I C -2.708 173.470 176.117 0.102 0.000 1.140 84 I CA -3.411 58.014 61.300 0.209 0.000 1.021 84 I CB 2.598 40.627 38.000 0.049 0.000 1.233 84 I HN 0.309 nan 8.210 nan 0.000 0.427 85 P HA 0.112 nan 4.420 nan 0.000 0.263 85 P C -0.576 176.420 177.300 -0.507 0.000 1.195 85 P CA 0.045 62.741 63.100 -0.674 0.000 0.762 85 P CB 0.729 32.170 31.700 -0.431 0.000 0.799 86 V N 1.209 120.725 119.914 -0.663 0.000 2.789 86 V HA 1.021 5.141 4.120 0.000 0.000 0.311 86 V C -0.092 175.388 176.094 -1.023 0.000 1.073 86 V CA -0.058 61.802 62.300 -0.732 0.000 0.921 86 V CB 1.651 33.086 31.823 -0.647 0.000 1.009 86 V HN 0.902 nan 8.190 nan 0.000 0.426 87 G N 4.213 112.304 108.800 -1.181 0.000 2.357 87 G HA2 0.271 4.231 3.960 0.000 0.000 0.289 87 G HA3 0.271 4.231 3.960 0.000 0.000 0.289 87 G C -2.945 171.829 174.900 -0.210 0.000 1.302 87 G CA 0.109 44.668 45.100 -0.902 0.000 0.936 87 G HN 0.590 nan 8.290 nan 0.000 0.513 88 P HA 0.119 nan 4.420 nan 0.000 0.229 88 P C 0.927 178.235 177.300 0.013 0.000 1.160 88 P CA 0.997 64.180 63.100 0.138 0.000 0.777 88 P CB 0.156 31.937 31.700 0.135 0.000 0.814 89 E N -0.674 119.498 120.200 -0.047 0.000 2.516 89 E HA -0.052 4.298 4.350 0.000 0.000 0.199 89 E C 1.583 178.148 176.600 -0.058 0.000 1.069 89 E CA 0.971 57.337 56.400 -0.057 0.000 0.876 89 E CB -1.026 28.625 29.700 -0.081 0.000 0.843 89 E HN 0.405 nan 8.360 nan 0.000 0.530 90 T N -2.547 111.978 114.554 -0.047 0.000 3.037 90 T HA 0.149 4.499 4.350 0.000 0.000 0.252 90 T C 0.841 175.555 174.700 0.025 0.000 1.073 90 T CA -0.313 61.772 62.100 -0.026 0.000 1.091 90 T CB -0.085 68.752 68.868 -0.052 0.000 0.935 90 T HN -0.013 nan 8.240 nan 0.000 0.488 91 L N 2.283 123.517 121.223 0.018 0.000 2.559 91 L HA 0.385 4.725 4.340 0.000 0.000 0.274 91 L C 1.707 178.582 176.870 0.009 0.000 1.205 91 L CA 1.108 55.932 54.840 -0.025 0.000 0.907 91 L CB -0.045 41.916 42.059 -0.163 0.000 1.153 91 L HN 0.610 nan 8.230 nan 0.000 0.490 92 G N 1.920 110.746 108.800 0.043 0.000 2.179 92 G HA2 -0.218 3.742 3.960 0.000 0.000 0.260 92 G HA3 -0.218 3.742 3.960 0.000 0.000 0.260 92 G C 0.399 175.367 174.900 0.112 0.000 0.977 92 G CA -0.329 44.816 45.100 0.074 0.000 0.641 92 G HN 0.473 nan 8.290 nan 0.000 0.533 93 R N -0.194 120.353 120.500 0.079 0.000 2.674 93 R HA 0.766 5.106 4.340 0.000 0.000 0.266 93 R C 0.272 176.597 176.300 0.040 0.000 1.016 93 R CA -0.914 55.220 56.100 0.057 0.000 1.062 93 R CB 0.786 31.100 30.300 0.024 0.000 1.142 93 R HN 0.302 nan 8.270 nan 0.000 0.517 94 I N 2.753 123.306 120.570 -0.029 0.000 2.378 94 I HA 0.429 4.599 4.170 0.000 0.000 0.291 94 I C 0.450 176.565 176.117 -0.003 0.000 0.992 94 I CA -0.548 60.729 61.300 -0.038 0.000 1.154 94 I CB 1.434 39.302 38.000 -0.221 0.000 1.315 94 I HN 0.366 nan 8.210 nan 0.000 0.448 95 M N 4.263 123.893 119.600 0.049 0.000 2.593 95 M HA 0.576 5.056 4.480 0.000 0.000 0.290 95 M C -1.365 174.969 176.300 0.057 0.000 1.244 95 M CA -0.701 54.621 55.300 0.036 0.000 0.857 95 M CB 2.269 34.880 32.600 0.018 0.000 1.738 95 M HN 0.314 nan 8.290 nan 0.000 0.461 96 N N 0.561 119.285 118.700 0.040 0.000 2.285 96 N HA 0.228 4.968 4.740 0.000 0.000 0.262 96 N C 1.129 176.659 175.510 0.032 0.000 1.299 96 N CA -0.175 52.900 53.050 0.041 0.000 0.930 96 N CB 0.838 39.343 38.487 0.030 0.000 1.157 96 N HN 0.612 nan 8.380 nan 0.000 0.532 97 V N 0.635 120.567 119.914 0.030 0.000 2.307 97 V HA -0.180 3.940 4.120 0.000 0.000 0.245 97 V C 1.839 177.942 176.094 0.015 0.000 1.045 97 V CA 1.635 63.945 62.300 0.017 0.000 1.024 97 V CB -0.760 31.075 31.823 0.021 0.000 0.651 97 V HN 0.740 nan 8.190 nan 0.000 0.449 98 I N -0.814 119.770 120.570 0.023 0.000 3.646 98 I HA 0.476 4.646 4.170 0.000 0.000 0.301 98 I C 1.429 177.570 176.117 0.039 0.000 1.276 98 I CA 0.795 62.112 61.300 0.028 0.000 1.254 98 I CB -0.597 37.419 38.000 0.026 0.000 1.020 98 I HN 0.371 nan 8.210 nan 0.000 0.473 99 G N 1.122 109.943 108.800 0.036 0.000 2.159 99 G HA2 -0.267 3.693 3.960 0.000 0.000 0.256 99 G HA3 -0.267 3.693 3.960 0.000 0.000 0.256 99 G C -0.105 174.828 174.900 0.054 0.000 0.977 99 G CA 0.227 45.356 45.100 0.048 0.000 0.652 99 G HN 0.686 nan 8.290 nan 0.000 0.531 100 E N 1.788 122.013 120.200 0.042 0.000 2.331 100 E HA 0.419 4.769 4.350 0.000 0.000 0.272 100 E C -2.208 174.406 176.600 0.022 0.000 1.036 100 E CA -1.888 54.533 56.400 0.036 0.000 0.864 100 E CB 1.042 30.758 29.700 0.026 0.000 1.035 100 E HN 0.218 nan 8.360 nan 0.000 0.408 101 P HA -0.004 nan 4.420 nan 0.000 0.269 101 P C 0.158 177.452 177.300 -0.010 0.000 1.215 101 P CA 0.378 63.478 63.100 0.001 0.000 0.780 101 P CB 0.369 32.071 31.700 0.002 0.000 0.898 102 I N -1.921 118.628 120.570 -0.034 0.000 3.578 102 I HA 0.276 4.446 4.170 0.000 0.000 0.321 102 I C -0.111 175.943 176.117 -0.105 0.000 1.510 102 I CA -0.309 60.958 61.300 -0.054 0.000 1.002 102 I CB 0.338 38.308 38.000 -0.050 0.000 1.427 102 I HN 0.054 nan 8.210 nan 0.000 0.575 103 D N 0.305 120.649 120.400 -0.094 0.000 2.469 103 D HA 0.065 4.705 4.640 0.000 0.000 0.213 103 D C 0.485 176.766 176.300 -0.031 0.000 1.135 103 D CA -0.105 53.823 54.000 -0.120 0.000 0.834 103 D CB 0.102 40.810 40.800 -0.153 0.000 1.009 103 D HN 0.465 nan 8.370 nan 0.000 0.507 104 E N -0.131 120.058 120.200 -0.018 0.000 2.791 104 E HA -0.236 4.114 4.350 0.000 0.000 0.271 104 E C 0.132 176.742 176.600 0.017 0.000 1.044 104 E CA 0.316 56.718 56.400 0.004 0.000 0.814 104 E CB -1.035 28.672 29.700 0.011 0.000 1.400 104 E HN 0.366 nan 8.360 nan 0.000 0.423 105 R N -0.094 120.416 120.500 0.017 0.000 2.586 105 R HA 0.303 4.643 4.340 0.000 0.000 0.336 105 R C 0.753 177.064 176.300 0.019 0.000 1.060 105 R CA 0.310 56.425 56.100 0.024 0.000 1.079 105 R CB 1.141 31.463 30.300 0.036 0.000 1.317 105 R HN 0.293 nan 8.270 nan 0.000 0.568 106 G N 2.039 110.848 108.800 0.015 0.000 2.728 106 G HA2 -0.210 3.750 3.960 0.000 0.000 0.294 106 G HA3 -0.210 3.750 3.960 0.000 0.000 0.294 106 G C -2.764 172.146 174.900 0.017 0.000 1.342 106 G CA -1.213 43.896 45.100 0.015 0.000 0.866 106 G HN 0.051 nan 8.290 nan 0.000 0.534 107 P HA 0.522 nan 4.420 nan 0.000 0.278 107 P C 0.045 177.359 177.300 0.023 0.000 1.238 107 P CA -0.430 62.688 63.100 0.029 0.000 0.794 107 P CB 0.565 32.289 31.700 0.039 0.000 0.955 108 I N 2.568 123.153 120.570 0.024 0.000 2.347 108 I HA 0.123 4.293 4.170 0.000 0.000 0.294 108 I C 0.890 177.002 176.117 -0.007 0.000 1.090 108 I CA 0.097 61.392 61.300 -0.007 0.000 1.314 108 I CB -0.119 37.864 38.000 -0.029 0.000 1.423 108 I HN 0.050 nan 8.210 nan 0.000 0.503 109 K N 6.098 126.488 120.400 -0.016 0.000 2.244 109 K HA 0.281 4.601 4.320 0.000 0.000 0.263 109 K C -0.113 176.448 176.600 -0.064 0.000 1.103 109 K CA -0.352 55.930 56.287 -0.008 0.000 0.966 109 K CB 0.643 33.150 32.500 0.012 0.000 1.429 109 K HN 0.624 nan 8.250 nan 0.000 0.434 110 T N -1.236 113.236 114.554 -0.137 0.000 2.940 110 T HA 0.320 4.670 4.350 0.000 0.000 0.288 110 T C 0.943 175.546 174.700 -0.162 0.000 1.033 110 T CA -1.027 60.929 62.100 -0.240 0.000 1.033 110 T CB 2.050 70.605 68.868 -0.521 0.000 1.079 110 T HN 0.268 nan 8.240 nan 0.000 0.496 111 K N 0.312 120.627 120.400 -0.141 0.000 2.044 111 K HA 0.027 4.347 4.320 0.000 0.000 0.204 111 K C 0.319 176.894 176.600 -0.041 0.000 1.049 111 K CA 0.914 57.172 56.287 -0.049 0.000 0.945 111 K CB -0.025 32.461 32.500 -0.024 0.000 0.724 111 K HN 0.582 nan 8.250 nan 0.000 0.440 112 Q N -0.394 119.301 119.800 -0.175 0.000 2.297 112 Q HA 0.480 4.820 4.340 0.000 0.000 0.268 112 Q C -0.931 174.819 176.000 -0.418 0.000 1.045 112 Q CA -0.472 55.248 55.803 -0.138 0.000 0.861 112 Q CB 0.978 29.665 28.738 -0.084 0.000 1.344 112 Q HN -0.062 nan 8.270 nan 0.000 0.452 113 F N -0.160 119.739 119.950 -0.086 0.000 2.577 113 F HA 0.851 5.378 4.527 -0.000 0.000 0.318 113 F C -0.463 175.296 175.800 -0.068 0.000 1.065 113 F CA -0.866 57.083 58.000 -0.085 0.000 0.929 113 F CB 2.199 41.167 39.000 -0.054 0.000 1.237 113 F HN 0.643 nan 8.300 nan 0.000 0.468 114 A N 1.257 124.129 122.820 0.088 0.000 2.475 114 A HA 0.869 5.189 4.320 0.000 0.000 0.301 114 A C -1.330 176.289 177.584 0.058 0.000 1.059 114 A CA -0.710 51.355 52.037 0.046 0.000 0.710 114 A CB 1.134 20.124 19.000 -0.017 0.000 1.288 114 A HN 0.970 nan 8.150 nan 0.000 0.408 115 A N 1.370 124.221 122.820 0.052 0.000 2.327 115 A HA 0.523 4.843 4.320 0.000 0.000 0.283 115 A C 1.221 178.814 177.584 0.015 0.000 1.127 115 A CA -0.043 52.025 52.037 0.052 0.000 0.810 115 A CB -0.165 18.878 19.000 0.072 0.000 1.066 115 A HN 1.682 nan 8.150 nan 0.000 0.492 116 I N -0.146 120.409 120.570 -0.024 0.000 2.361 116 I HA -0.112 4.058 4.170 0.000 0.000 0.251 116 I C 0.156 176.149 176.117 -0.208 0.000 1.133 116 I CA 0.972 62.187 61.300 -0.141 0.000 1.413 116 I CB -0.484 37.391 38.000 -0.208 0.000 1.073 116 I HN 0.521 nan 8.210 nan 0.000 0.424 117 H N 2.612 121.684 119.070 0.003 0.000 2.604 117 H HA 0.724 5.280 4.556 -0.000 0.000 0.306 117 H C -0.283 175.044 175.328 -0.002 0.000 1.075 117 H CA 0.049 56.097 56.048 0.001 0.000 1.357 117 H CB 1.197 30.961 29.762 0.004 0.000 1.426 117 H HN 0.457 nan 8.280 nan 0.000 0.470 118 A N 3.573 126.444 122.820 0.085 0.000 2.566 118 A HA 0.399 4.719 4.320 0.000 0.000 0.292 118 A C -0.368 177.240 177.584 0.039 0.000 1.112 118 A CA -0.905 51.161 52.037 0.049 0.000 0.707 118 A CB 1.902 20.913 19.000 0.017 0.000 1.302 118 A HN 0.671 nan 8.150 nan 0.000 0.409 119 E N 0.424 120.641 120.200 0.029 0.000 2.318 119 E HA 0.508 4.858 4.350 0.000 0.000 0.265 119 E C 0.144 176.753 176.600 0.016 0.000 1.069 119 E CA -0.417 55.998 56.400 0.025 0.000 0.893 119 E CB 1.552 31.265 29.700 0.023 0.000 1.076 119 E HN 0.791 nan 8.360 nan 0.000 0.414 120 A N 3.036 125.866 122.820 0.017 0.000 2.371 120 A HA 0.310 4.630 4.320 0.000 0.000 0.257 120 A C -2.130 175.464 177.584 0.017 0.000 1.089 120 A CA -1.248 50.796 52.037 0.011 0.000 0.794 120 A CB -0.358 18.651 19.000 0.016 0.000 1.029 120 A HN 0.312 nan 8.150 nan 0.000 0.488 121 P HA 0.052 nan 4.420 nan 0.000 0.265 121 P C -0.056 177.262 177.300 0.030 0.000 1.187 121 P CA 0.211 63.317 63.100 0.010 0.000 0.766 121 P CB 0.381 32.077 31.700 -0.007 0.000 0.820 122 E N 1.536 121.760 120.200 0.039 0.000 2.410 122 E HA -0.006 4.344 4.350 0.000 0.000 0.255 122 E C 0.948 177.611 176.600 0.104 0.000 1.194 122 E CA -0.285 56.163 56.400 0.080 0.000 0.955 122 E CB 0.111 29.858 29.700 0.077 0.000 0.988 122 E HN 0.375 nan 8.360 nan 0.000 0.461 123 F N 1.844 121.794 119.950 -0.000 0.000 2.043 123 F HA -0.276 4.251 4.527 -0.000 0.000 0.297 123 F C 2.084 177.883 175.800 -0.002 0.000 1.121 123 F CA 2.274 60.274 58.000 -0.000 0.000 1.199 123 F CB -0.550 38.450 39.000 -0.000 0.000 0.968 123 F HN 0.288 nan 8.300 nan 0.000 0.478 124 V N -1.587 118.380 119.914 0.088 0.000 2.688 124 V HA -0.245 3.875 4.120 0.000 0.000 0.256 124 V C 1.680 177.723 176.094 -0.085 0.000 1.084 124 V CA 2.146 64.434 62.300 -0.020 0.000 1.103 124 V CB -1.147 30.711 31.823 0.059 0.000 0.688 124 V HN 0.519 nan 8.190 nan 0.000 0.480 125 E N -0.279 119.883 120.200 -0.063 0.000 2.371 125 E HA 0.081 4.431 4.350 0.000 0.000 0.194 125 E C 0.801 177.341 176.600 -0.100 0.000 1.012 125 E CA 0.010 56.373 56.400 -0.061 0.000 0.860 125 E CB -0.095 29.589 29.700 -0.028 0.000 0.811 125 E HN 0.485 nan 8.360 nan 0.000 0.502 126 M N 0.910 120.407 119.600 -0.172 0.000 2.219 126 M HA 0.050 4.530 4.480 0.000 0.000 0.307 126 M C 0.523 176.730 176.300 -0.155 0.000 1.116 126 M CA 0.193 55.385 55.300 -0.181 0.000 1.181 126 M CB 0.588 33.026 32.600 -0.269 0.000 1.410 126 M HN -0.154 nan 8.290 nan 0.000 0.454 127 S N 0.321 115.951 115.700 -0.117 0.000 2.536 127 S HA 0.726 5.196 4.470 0.000 0.000 0.298 127 S C -0.053 174.498 174.600 -0.081 0.000 1.083 127 S CA -0.586 57.561 58.200 -0.089 0.000 0.995 127 S CB 1.348 64.511 63.200 -0.061 0.000 1.058 127 S HN 0.669 nan 8.310 nan 0.000 0.488 128 V N -0.038 119.836 119.914 -0.066 0.000 3.276 128 V HA 0.540 4.660 4.120 0.000 0.000 0.319 128 V C -0.128 175.947 176.094 -0.032 0.000 1.476 128 V CA -0.459 61.811 62.300 -0.051 0.000 1.097 128 V CB -0.006 31.784 31.823 -0.055 0.000 0.988 128 V HN 0.688 nan 8.190 nan 0.000 0.473 129 E N 2.425 122.608 120.200 -0.029 0.000 2.360 129 E HA 0.381 4.731 4.350 0.000 0.000 0.269 129 E C -0.431 176.163 176.600 -0.010 0.000 1.022 129 E CA 0.352 56.742 56.400 -0.017 0.000 0.887 129 E CB 0.967 30.658 29.700 -0.016 0.000 0.990 129 E HN 0.648 nan 8.360 nan 0.000 0.426 130 Q N 2.273 122.071 119.800 -0.003 0.000 2.394 130 Q HA 0.319 4.659 4.340 0.000 0.000 0.261 130 Q C -0.653 175.355 176.000 0.013 0.000 1.023 130 Q CA -0.258 55.548 55.803 0.005 0.000 0.720 130 Q CB 1.877 30.618 28.738 0.006 0.000 1.241 130 Q HN 0.410 nan 8.270 nan 0.000 0.483 131 E N 2.512 122.724 120.200 0.020 0.000 2.171 131 E HA 0.401 4.751 4.350 0.000 0.000 0.271 131 E C -0.848 175.778 176.600 0.043 0.000 0.916 131 E CA -0.664 55.753 56.400 0.028 0.000 0.774 131 E CB 1.990 31.705 29.700 0.025 0.000 1.128 131 E HN 0.536 nan 8.360 nan 0.000 0.403 132 I N 4.291 124.891 120.570 0.051 0.000 2.634 132 I HA 0.078 4.248 4.170 0.000 0.000 0.284 132 I C -0.887 175.274 176.117 0.073 0.000 1.124 132 I CA -0.248 61.093 61.300 0.068 0.000 1.417 132 I CB 0.490 38.535 38.000 0.076 0.000 1.396 132 I HN 0.447 nan 8.210 nan 0.000 0.571 133 L N 8.707 129.986 121.223 0.093 0.000 2.295 133 L HA 0.416 4.756 4.340 0.000 0.000 0.281 133 L C -0.933 175.981 176.870 0.075 0.000 1.018 133 L CA -0.350 54.548 54.840 0.097 0.000 0.841 133 L CB 1.234 43.373 42.059 0.134 0.000 1.218 133 L HN 0.345 nan 8.230 nan 0.000 0.424 134 V N 4.182 124.128 119.914 0.054 0.000 2.555 134 V HA 0.213 4.333 4.120 0.000 0.000 0.286 134 V C 1.405 177.505 176.094 0.011 0.000 1.044 134 V CA 0.621 62.936 62.300 0.025 0.000 1.026 134 V CB 1.025 32.866 31.823 0.030 0.000 0.981 134 V HN 0.938 nan 8.190 nan 0.000 0.480 135 T N -0.238 114.294 114.554 -0.036 0.000 2.971 135 T HA 0.316 4.666 4.350 0.000 0.000 0.252 135 T C 1.379 176.058 174.700 -0.036 0.000 1.022 135 T CA 0.851 62.927 62.100 -0.040 0.000 0.980 135 T CB 0.616 69.412 68.868 -0.119 0.000 1.044 135 T HN 1.491 nan 8.240 nan 0.000 0.501 136 G N 1.892 110.675 108.800 -0.028 0.000 2.195 136 G HA2 -0.175 3.785 3.960 0.000 0.000 0.246 136 G HA3 -0.175 3.785 3.960 0.000 0.000 0.246 136 G C 0.073 174.972 174.900 -0.002 0.000 0.984 136 G CA 0.025 45.119 45.100 -0.010 0.000 0.633 136 G HN 0.658 nan 8.290 nan 0.000 0.525 137 I N 1.547 122.106 120.570 -0.019 0.000 2.396 137 I HA 0.169 4.339 4.170 0.000 0.000 0.289 137 I C 1.702 177.823 176.117 0.006 0.000 1.056 137 I CA -0.296 61.025 61.300 0.034 0.000 1.365 137 I CB 1.026 39.048 38.000 0.038 0.000 1.407 137 I HN 0.076 nan 8.210 nan 0.000 0.509 138 K N 4.049 124.456 120.400 0.013 0.000 2.000 138 K HA -0.168 4.152 4.320 0.000 0.000 0.218 138 K C 1.818 178.413 176.600 -0.008 0.000 1.053 138 K CA 1.594 57.880 56.287 -0.001 0.000 0.946 138 K CB -0.243 32.219 32.500 -0.062 0.000 0.723 138 K HN 0.578 nan 8.250 nan 0.000 0.446 139 V N 0.973 120.875 119.914 -0.020 0.000 2.332 139 V HA -0.229 3.891 4.120 0.000 0.000 0.248 139 V C 2.383 178.445 176.094 -0.052 0.000 1.055 139 V CA 1.676 63.945 62.300 -0.051 0.000 1.038 139 V CB -0.775 31.037 31.823 -0.019 0.000 0.651 139 V HN 0.087 nan 8.190 nan 0.000 0.450 140 V N 0.610 120.490 119.914 -0.057 0.000 2.237 140 V HA -0.245 3.875 4.120 0.000 0.000 0.245 140 V C 2.439 178.453 176.094 -0.132 0.000 1.046 140 V CA 2.399 64.614 62.300 -0.142 0.000 1.007 140 V CB -0.793 30.835 31.823 -0.325 0.000 0.638 140 V HN 0.502 nan 8.190 nan 0.000 0.445 141 D N -0.131 120.209 120.400 -0.101 0.000 2.104 141 D HA -0.170 4.470 4.640 0.000 0.000 0.194 141 D C 1.925 178.279 176.300 0.091 0.000 0.994 141 D CA 1.431 55.417 54.000 -0.023 0.000 0.830 141 D CB -0.352 40.435 40.800 -0.021 0.000 0.959 141 D HN 0.358 nan 8.370 nan 0.000 0.452 142 L N -0.036 121.210 121.223 0.039 0.000 2.023 142 L HA -0.041 4.299 4.340 0.000 0.000 0.205 142 L C 2.048 178.997 176.870 0.133 0.000 1.073 142 L CA 1.481 56.370 54.840 0.082 0.000 0.745 142 L CB -0.245 41.750 42.059 -0.107 0.000 0.900 142 L HN -0.006 nan 8.230 nan 0.000 0.435 143 L N -1.020 120.196 121.223 -0.012 0.000 2.298 143 L HA 0.279 4.619 4.340 0.000 0.000 0.209 143 L C 0.987 177.846 176.870 -0.017 0.000 1.084 143 L CA 0.555 55.368 54.840 -0.045 0.000 0.816 143 L CB -0.206 41.801 42.059 -0.086 0.000 0.967 143 L HN 0.298 nan 8.230 nan 0.000 0.460 144 A N 0.012 122.837 122.820 0.008 0.000 3.415 144 A HA 0.404 4.724 4.320 0.000 0.000 0.244 144 A C -2.572 175.054 177.584 0.070 0.000 0.988 144 A CA -0.870 51.197 52.037 0.051 0.000 0.991 144 A CB -0.360 18.695 19.000 0.093 0.000 1.240 144 A HN -0.128 nan 8.150 nan 0.000 0.541 145 P HA 0.006 nan 4.420 nan 0.000 0.263 145 P C -0.393 177.006 177.300 0.165 0.000 1.175 145 P CA 0.728 63.843 63.100 0.025 0.000 0.761 145 P CB 0.267 32.000 31.700 0.054 0.000 0.794 146 Y N 1.485 121.812 120.300 0.044 0.000 2.240 146 Y HA 0.494 5.044 4.550 -0.000 0.000 0.341 146 Y C 1.119 177.032 175.900 0.022 0.000 1.326 146 Y CA -1.424 56.693 58.100 0.030 0.000 1.569 146 Y CB -0.205 38.270 38.460 0.024 0.000 1.426 146 Y HN 0.473 nan 8.280 nan 0.000 0.587 147 A N 0.423 123.355 122.820 0.186 0.000 2.488 147 A HA 0.468 4.788 4.320 0.000 0.000 0.298 147 A C -0.906 176.710 177.584 0.052 0.000 1.044 147 A CA -1.185 50.908 52.037 0.094 0.000 0.693 147 A CB 0.952 19.989 19.000 0.063 0.000 1.272 147 A HN 0.649 nan 8.150 nan 0.000 0.402 148 K N 0.832 121.258 120.400 0.045 0.000 2.524 148 K HA 0.299 4.619 4.320 0.000 0.000 0.279 148 K C 1.260 177.859 176.600 -0.002 0.000 0.993 148 K CA 1.219 57.520 56.287 0.023 0.000 1.030 148 K CB 0.227 32.745 32.500 0.030 0.000 0.891 148 K HN 1.826 nan 8.250 nan 0.000 0.488 149 G N 1.819 110.606 108.800 -0.023 0.000 2.186 149 G HA2 -0.291 3.669 3.960 0.000 0.000 0.266 149 G HA3 -0.291 3.669 3.960 0.000 0.000 0.266 149 G C 0.513 175.384 174.900 -0.049 0.000 0.982 149 G CA 0.338 45.416 45.100 -0.038 0.000 0.670 149 G HN 0.883 nan 8.290 nan 0.000 0.533 150 G N -0.916 107.854 108.800 -0.050 0.000 2.535 150 G HA2 0.588 4.548 3.960 0.000 0.000 0.303 150 G HA3 0.588 4.548 3.960 0.000 0.000 0.303 150 G C -0.215 174.626 174.900 -0.099 0.000 1.237 150 G CA -0.695 44.373 45.100 -0.053 0.000 0.986 150 G HN 0.352 nan 8.290 nan 0.000 0.494 151 K N 0.016 120.362 120.400 -0.090 0.000 2.265 151 K HA 0.450 4.770 4.320 0.000 0.000 0.267 151 K C -0.765 175.742 176.600 -0.154 0.000 0.994 151 K CA -0.172 56.041 56.287 -0.122 0.000 0.860 151 K CB 1.752 34.208 32.500 -0.072 0.000 1.099 151 K HN 0.274 nan 8.250 nan 0.000 0.448 152 I N 1.148 121.564 120.570 -0.257 0.000 2.493 152 I HA 0.464 4.634 4.170 0.000 0.000 0.298 152 I C 0.302 176.257 176.117 -0.270 0.000 0.998 152 I CA -0.769 60.312 61.300 -0.365 0.000 1.137 152 I CB 2.209 39.763 38.000 -0.743 0.000 1.310 152 I HN 0.611 nan 8.210 nan 0.000 0.445 153 G N 5.856 114.548 108.800 -0.181 0.000 2.687 153 G HA2 0.673 4.633 3.960 0.000 0.000 0.301 153 G HA3 0.673 4.633 3.960 0.000 0.000 0.301 153 G C -1.134 173.720 174.900 -0.075 0.000 1.416 153 G CA -0.516 44.472 45.100 -0.186 0.000 1.005 153 G HN 0.449 nan 8.290 nan 0.000 0.509 154 L N 2.411 123.553 121.223 -0.135 0.000 2.335 154 L HA 0.414 4.754 4.340 0.000 0.000 0.268 154 L C -0.668 176.170 176.870 -0.054 0.000 1.037 154 L CA -0.632 54.216 54.840 0.013 0.000 0.895 154 L CB 0.438 42.528 42.059 0.051 0.000 1.266 154 L HN 0.317 nan 8.230 nan 0.000 0.439 155 F N 1.377 121.313 119.950 -0.024 0.000 2.429 155 F HA 0.605 5.132 4.527 0.000 0.000 0.348 155 F C 1.132 176.915 175.800 -0.028 0.000 1.109 155 F CA -0.010 57.954 58.000 -0.060 0.000 1.232 155 F CB 1.502 40.456 39.000 -0.077 0.000 1.157 155 F HN 0.416 nan 8.300 nan 0.000 0.564 156 G N 1.246 110.093 108.800 0.078 0.000 2.750 156 G HA2 0.486 4.446 3.960 0.000 0.000 0.298 156 G HA3 0.486 4.446 3.960 0.000 0.000 0.298 156 G C -0.592 174.219 174.900 -0.148 0.000 1.412 156 G CA -0.456 44.655 45.100 0.018 0.000 1.078 156 G HN 0.937 nan 8.290 nan 0.000 0.573 157 G N 0.012 108.714 108.800 -0.163 0.000 2.653 157 G HA2 0.657 4.617 3.960 0.000 0.000 0.265 157 G HA3 0.657 4.617 3.960 0.000 0.000 0.265 157 G C 0.834 175.638 174.900 -0.161 0.000 1.237 157 G CA 0.351 45.265 45.100 -0.310 0.000 0.946 157 G HN 1.676 nan 8.290 nan 0.000 0.522 158 A N -1.147 121.647 122.820 -0.042 0.000 2.546 158 A HA 0.499 4.819 4.320 0.000 0.000 0.243 158 A C 1.606 179.269 177.584 0.131 0.000 1.063 158 A CA 1.041 53.225 52.037 0.244 0.000 0.757 158 A CB -0.581 18.617 19.000 0.330 0.000 0.991 158 A HN 2.580 nan 8.150 nan 0.000 0.503 159 G N 1.343 110.228 108.800 0.141 0.000 2.305 159 G HA2 -0.183 3.777 3.960 0.000 0.000 0.287 159 G HA3 -0.183 3.777 3.960 0.000 0.000 0.287 159 G C 0.537 175.485 174.900 0.080 0.000 1.036 159 G CA 0.412 45.565 45.100 0.088 0.000 0.887 159 G HN 1.234 nan 8.290 nan 0.000 0.505 160 V N -1.166 118.805 119.914 0.095 0.000 3.125 160 V HA 0.507 4.627 4.120 0.000 0.000 0.249 160 V C 2.139 178.329 176.094 0.159 0.000 1.113 160 V CA 1.891 64.259 62.300 0.114 0.000 1.106 160 V CB 0.438 32.306 31.823 0.076 0.000 0.768 160 V HN 1.739 nan 8.190 nan 0.000 0.468 161 G N -0.394 108.485 108.800 0.132 0.000 2.834 161 G HA2 -0.122 3.838 3.960 0.000 0.000 0.217 161 G HA3 -0.122 3.838 3.960 0.000 0.000 0.217 161 G C 0.745 175.742 174.900 0.162 0.000 0.974 161 G CA 0.187 45.378 45.100 0.151 0.000 0.826 161 G HN 0.332 nan 8.290 nan 0.000 0.584 162 K N 0.289 120.774 120.400 0.141 0.000 2.020 162 K HA -0.105 4.215 4.320 0.000 0.000 0.212 162 K C 2.472 179.157 176.600 0.143 0.000 1.050 162 K CA 2.069 58.438 56.287 0.137 0.000 0.929 162 K CB -0.399 32.174 32.500 0.122 0.000 0.714 162 K HN 0.253 nan 8.250 nan 0.000 0.443 163 T N 1.253 115.889 114.554 0.137 0.000 2.708 163 T HA -0.103 4.247 4.350 0.000 0.000 0.266 163 T C 2.116 176.893 174.700 0.128 0.000 1.037 163 T CA 1.238 63.421 62.100 0.139 0.000 1.146 163 T CB -0.258 68.689 68.868 0.131 0.000 0.865 163 T HN -0.046 nan 8.240 nan 0.000 0.435 164 V N 1.670 121.662 119.914 0.130 0.000 2.282 164 V HA -0.158 3.962 4.120 0.000 0.000 0.249 164 V C 2.441 178.632 176.094 0.163 0.000 1.057 164 V CA 1.536 63.928 62.300 0.153 0.000 1.032 164 V CB -0.715 31.210 31.823 0.170 0.000 0.645 164 V HN 0.329 nan 8.190 nan 0.000 0.447 165 L N -0.425 120.923 121.223 0.208 0.000 2.079 165 L HA -0.153 4.187 4.340 0.000 0.000 0.210 165 L C 2.122 179.039 176.870 0.079 0.000 1.081 165 L CA 1.854 56.795 54.840 0.169 0.000 0.752 165 L CB -0.525 41.684 42.059 0.251 0.000 0.896 165 L HN 0.224 nan 8.230 nan 0.000 0.433 166 I N -1.370 119.268 120.570 0.114 0.000 2.394 166 I HA -0.272 3.898 4.170 0.000 0.000 0.251 166 I C 2.033 178.143 176.117 -0.012 0.000 1.136 166 I CA 0.728 62.096 61.300 0.113 0.000 1.425 166 I CB -0.028 38.084 38.000 0.187 0.000 1.079 166 I HN 0.336 nan 8.210 nan 0.000 0.425 167 M N -0.274 119.319 119.600 -0.013 0.000 2.123 167 M HA -0.169 4.311 4.480 0.000 0.000 0.263 167 M C 2.147 178.376 176.300 -0.117 0.000 1.069 167 M CA 1.528 56.784 55.300 -0.073 0.000 1.133 167 M CB -1.405 31.182 32.600 -0.023 0.000 1.356 167 M HN 0.049 nan 8.290 nan 0.000 0.415 168 E N 0.754 120.865 120.200 -0.148 0.000 2.097 168 E HA -0.151 4.199 4.350 0.000 0.000 0.196 168 E C 2.030 178.500 176.600 -0.217 0.000 1.000 168 E CA 1.342 57.572 56.400 -0.282 0.000 0.804 168 E CB -0.323 28.925 29.700 -0.754 0.000 0.740 168 E HN 0.465 nan 8.360 nan 0.000 0.454 169 L N -0.144 120.999 121.223 -0.133 0.000 2.093 169 L HA -0.091 4.249 4.340 0.000 0.000 0.208 169 L C 2.392 179.252 176.870 -0.017 0.000 1.085 169 L CA 0.779 55.619 54.840 -0.001 0.000 0.755 169 L CB -0.251 41.920 42.059 0.186 0.000 0.904 169 L HN 0.226 nan 8.230 nan 0.000 0.435 170 I N -0.209 120.240 120.570 -0.201 0.000 2.315 170 I HA -0.296 3.874 4.170 0.000 0.000 0.248 170 I C 2.242 178.281 176.117 -0.130 0.000 1.117 170 I CA 1.314 62.413 61.300 -0.334 0.000 1.404 170 I CB -0.248 37.442 38.000 -0.517 0.000 1.071 170 I HN 0.364 nan 8.210 nan 0.000 0.419 171 N N 1.394 120.026 118.700 -0.113 0.000 2.022 171 N HA -0.205 4.535 4.740 0.000 0.000 0.194 171 N C 1.445 176.933 175.510 -0.037 0.000 1.057 171 N CA 1.832 54.840 53.050 -0.070 0.000 0.849 171 N CB -0.073 38.368 38.487 -0.077 0.000 1.044 171 N HN 0.124 nan 8.380 nan 0.000 0.424 172 N N -0.974 117.698 118.700 -0.046 0.000 2.573 172 N HA -0.031 4.709 4.740 0.000 0.000 0.187 172 N C 0.619 176.145 175.510 0.026 0.000 1.107 172 N CA 0.420 53.458 53.050 -0.019 0.000 0.918 172 N CB 0.384 38.843 38.487 -0.046 0.000 0.966 172 N HN 0.186 nan 8.380 nan 0.000 0.448 173 V N -1.151 118.796 119.914 0.055 0.000 3.177 173 V HA 0.243 4.363 4.120 0.000 0.000 0.219 173 V C 1.885 178.058 176.094 0.132 0.000 1.344 173 V CA 0.681 63.045 62.300 0.106 0.000 1.324 173 V CB -0.599 31.316 31.823 0.154 0.000 1.165 173 V HN 0.117 nan 8.190 nan 0.000 0.510 174 A N 0.502 123.404 122.820 0.136 0.000 1.873 174 A HA -0.253 4.067 4.320 0.000 0.000 0.218 174 A C 2.095 179.757 177.584 0.130 0.000 1.193 174 A CA 2.307 54.433 52.037 0.148 0.000 0.629 174 A CB -0.544 18.502 19.000 0.076 0.000 0.826 174 A HN 0.490 nan 8.150 nan 0.000 0.447 175 K N -0.630 119.811 120.400 0.067 0.000 2.089 175 K HA -0.147 4.173 4.320 0.000 0.000 0.210 175 K C 1.262 177.902 176.600 0.067 0.000 1.048 175 K CA 1.368 57.686 56.287 0.052 0.000 0.926 175 K CB -0.313 32.198 32.500 0.018 0.000 0.714 175 K HN 0.448 nan 8.250 nan 0.000 0.448 176 A N 0.742 123.610 122.820 0.080 0.000 2.965 176 A HA 0.096 4.416 4.320 0.000 0.000 0.304 176 A C 0.733 178.379 177.584 0.102 0.000 1.214 176 A CA -0.262 51.816 52.037 0.068 0.000 0.977 176 A CB -0.309 18.718 19.000 0.046 0.000 1.127 176 A HN 0.317 nan 8.150 nan 0.000 0.572 177 H N 0.525 119.607 119.070 0.021 0.000 2.320 177 H HA 0.330 4.886 4.556 0.000 0.000 0.309 177 H C 1.205 176.521 175.328 -0.020 0.000 1.057 177 H CA 1.579 57.636 56.048 0.015 0.000 1.374 177 H CB -0.034 29.755 29.762 0.044 0.000 1.421 177 H HN 0.843 nan 8.280 nan 0.000 0.532 178 G N -0.356 108.252 108.800 -0.321 0.000 2.540 178 G HA2 0.279 4.239 3.960 0.000 0.000 0.260 178 G HA3 0.279 4.239 3.960 0.000 0.000 0.260 178 G C 0.294 174.743 174.900 -0.752 0.000 0.993 178 G CA 0.559 45.422 45.100 -0.396 0.000 1.327 178 G HN 1.208 nan 8.290 nan 0.000 0.485 179 G N 0.074 108.477 108.800 -0.662 0.000 2.356 179 G HA2 0.552 4.512 3.960 0.000 0.000 0.288 179 G HA3 0.552 4.512 3.960 0.000 0.000 0.288 179 G C -0.870 173.872 174.900 -0.262 0.000 1.302 179 G CA -0.307 44.422 45.100 -0.618 0.000 0.887 179 G HN 0.990 nan 8.290 nan 0.000 0.521 180 Y N -0.040 120.282 120.300 0.036 0.000 2.519 180 Y HA 0.835 5.385 4.550 -0.000 0.000 0.324 180 Y C 0.885 176.823 175.900 0.064 0.000 1.214 180 Y CA -1.020 57.039 58.100 -0.070 0.000 1.260 180 Y CB 2.085 40.225 38.460 -0.533 0.000 1.311 180 Y HN 0.536 nan 8.280 nan 0.000 0.505 181 S N 0.124 115.976 115.700 0.253 0.000 2.549 181 S HA 0.757 5.227 4.470 0.000 0.000 0.280 181 S C -1.488 173.249 174.600 0.228 0.000 1.109 181 S CA -0.788 57.547 58.200 0.226 0.000 0.905 181 S CB 1.971 65.336 63.200 0.275 0.000 1.081 181 S HN 0.288 nan 8.310 nan 0.000 0.477 182 V N 2.883 122.938 119.914 0.235 0.000 2.525 182 V HA 0.512 4.632 4.120 0.000 0.000 0.299 182 V C -1.343 174.889 176.094 0.229 0.000 1.034 182 V CA -0.637 61.790 62.300 0.212 0.000 0.863 182 V CB 1.366 33.282 31.823 0.156 0.000 0.999 182 V HN 0.849 nan 8.190 nan 0.000 0.423 183 F N 4.232 124.237 119.950 0.090 0.000 2.411 183 F HA 0.796 5.323 4.527 0.000 0.000 0.352 183 F C 0.298 176.020 175.800 -0.130 0.000 1.123 183 F CA -0.577 57.449 58.000 0.044 0.000 1.044 183 F CB 1.291 40.313 39.000 0.037 0.000 1.135 183 F HN 0.568 nan 8.300 nan 0.000 0.461 184 A N 4.689 127.155 122.820 -0.591 0.000 2.267 184 A HA 0.625 4.945 4.320 0.000 0.000 0.315 184 A C 0.010 177.233 177.584 -0.602 0.000 1.297 184 A CA -0.355 51.400 52.037 -0.471 0.000 0.865 184 A CB 0.167 18.974 19.000 -0.322 0.000 1.165 184 A HN 1.017 nan 8.150 nan 0.000 0.513 185 G N 1.540 109.981 108.800 -0.598 0.000 2.391 185 G HA2 0.494 4.454 3.960 0.000 0.000 0.305 185 G HA3 0.494 4.454 3.960 0.000 0.000 0.305 185 G C -0.510 174.328 174.900 -0.105 0.000 1.072 185 G CA -0.138 44.791 45.100 -0.286 0.000 1.016 185 G HN 0.720 nan 8.290 nan 0.000 0.418 186 V N 2.755 122.638 119.914 -0.051 0.000 2.357 186 V HA 0.596 4.716 4.120 0.000 0.000 0.284 186 V C 1.257 177.379 176.094 0.048 0.000 1.018 186 V CA 0.276 62.574 62.300 -0.004 0.000 0.841 186 V CB 0.805 32.610 31.823 -0.030 0.000 0.991 186 V HN 1.276 nan 8.190 nan 0.000 0.437 187 G N 3.252 112.088 108.800 0.061 0.000 2.212 187 G HA2 -0.219 3.741 3.960 0.000 0.000 0.267 187 G HA3 -0.219 3.741 3.960 0.000 0.000 0.267 187 G C 0.347 175.286 174.900 0.065 0.000 1.002 187 G CA 0.727 45.860 45.100 0.054 0.000 0.729 187 G HN 0.621 nan 8.290 nan 0.000 0.517 188 E N -0.393 119.869 120.200 0.103 0.000 3.837 188 E HA 0.409 4.759 4.350 0.000 0.000 0.280 188 E C 0.964 177.629 176.600 0.108 0.000 1.282 188 E CA -0.709 55.757 56.400 0.109 0.000 1.431 188 E CB 0.370 30.157 29.700 0.146 0.000 1.509 188 E HN 0.420 nan 8.360 nan 0.000 0.728 189 R N 0.287 120.854 120.500 0.112 0.000 2.308 189 R HA 0.210 4.550 4.340 0.000 0.000 0.305 189 R C 1.277 177.627 176.300 0.083 0.000 1.053 189 R CA -0.028 56.122 56.100 0.083 0.000 0.957 189 R CB 0.469 30.810 30.300 0.069 0.000 1.022 189 R HN 0.397 nan 8.270 nan 0.000 0.461 190 T N 2.646 117.226 114.554 0.043 0.000 2.684 190 T HA -0.235 4.115 4.350 0.000 0.000 0.267 190 T C 1.794 176.475 174.700 -0.033 0.000 1.036 190 T CA 1.802 63.896 62.100 -0.010 0.000 1.148 190 T CB -0.182 68.674 68.868 -0.019 0.000 0.863 190 T HN 0.656 nan 8.240 nan 0.000 0.436 191 R N 1.701 122.201 120.500 0.001 0.000 2.139 191 R HA -0.177 4.163 4.340 0.000 0.000 0.243 191 R C 1.969 178.277 176.300 0.014 0.000 1.145 191 R CA 1.992 58.096 56.100 0.008 0.000 0.976 191 R CB -0.389 29.923 30.300 0.021 0.000 0.866 191 R HN 0.462 nan 8.270 nan 0.000 0.449 192 E N 0.053 120.274 120.200 0.034 0.000 2.072 192 E HA -0.094 4.256 4.350 0.000 0.000 0.191 192 E C 2.105 178.714 176.600 0.015 0.000 0.985 192 E CA 1.108 57.539 56.400 0.052 0.000 0.801 192 E CB -0.238 29.526 29.700 0.106 0.000 0.750 192 E HN 0.653 nan 8.360 nan 0.000 0.452 193 G N 1.297 110.067 108.800 -0.050 0.000 2.446 193 G HA2 -0.383 3.577 3.960 0.000 0.000 0.217 193 G HA3 -0.383 3.577 3.960 0.000 0.000 0.217 193 G C 1.384 176.152 174.900 -0.221 0.000 1.168 193 G CA 1.239 46.134 45.100 -0.342 0.000 0.771 193 G HN 0.254 nan 8.290 nan 0.000 0.551 194 N N 0.447 119.075 118.700 -0.119 0.000 2.120 194 N HA -0.121 4.619 4.740 0.000 0.000 0.188 194 N C 1.729 177.345 175.510 0.176 0.000 1.024 194 N CA 1.641 54.728 53.050 0.063 0.000 0.852 194 N CB -0.140 38.393 38.487 0.075 0.000 1.003 194 N HN 0.141 nan 8.380 nan 0.000 0.424 195 D N 0.022 120.469 120.400 0.078 0.000 2.123 195 D HA -0.149 4.491 4.640 0.000 0.000 0.196 195 D C 1.902 178.229 176.300 0.044 0.000 0.992 195 D CA 0.704 54.743 54.000 0.067 0.000 0.833 195 D CB -0.292 40.528 40.800 0.033 0.000 0.954 195 D HN 0.313 nan 8.370 nan 0.000 0.455 196 L N -0.179 121.040 121.223 -0.006 0.000 2.044 196 L HA -0.141 4.199 4.340 0.000 0.000 0.205 196 L C 2.282 179.141 176.870 -0.018 0.000 1.075 196 L CA 1.314 56.111 54.840 -0.072 0.000 0.747 196 L CB -0.768 41.164 42.059 -0.213 0.000 0.903 196 L HN -0.046 nan 8.230 nan 0.000 0.435 197 Y N 0.498 120.711 120.300 -0.145 0.000 2.014 197 Y HA -0.378 4.172 4.550 -0.000 0.000 0.272 197 Y C 2.669 178.430 175.900 -0.232 0.000 1.164 197 Y CA 2.453 60.429 58.100 -0.206 0.000 1.114 197 Y CB -0.929 37.348 38.460 -0.305 0.000 0.961 197 Y HN 0.444 nan 8.280 nan 0.000 0.489 198 H N -0.675 118.308 119.070 -0.145 0.000 2.387 198 H HA -0.120 4.436 4.556 -0.000 0.000 0.299 198 H C 2.298 177.527 175.328 -0.165 0.000 1.090 198 H CA 1.673 57.588 56.048 -0.222 0.000 1.332 198 H CB -0.128 29.570 29.762 -0.106 0.000 1.386 198 H HN 0.533 nan 8.280 nan 0.000 0.516 199 E N 0.247 120.444 120.200 -0.005 0.000 2.072 199 E HA -0.209 4.141 4.350 0.000 0.000 0.191 199 E C 2.070 178.628 176.600 -0.069 0.000 0.985 199 E CA 0.916 57.298 56.400 -0.030 0.000 0.801 199 E CB -0.005 29.677 29.700 -0.029 0.000 0.750 199 E HN 0.300 nan 8.360 nan 0.000 0.452 200 M N 0.566 120.108 119.600 -0.096 0.000 2.108 200 M HA -0.155 4.325 4.480 0.000 0.000 0.261 200 M C 1.956 178.185 176.300 -0.118 0.000 1.066 200 M CA 1.343 56.588 55.300 -0.093 0.000 1.107 200 M CB -0.116 32.441 32.600 -0.072 0.000 1.356 200 M HN 0.188 nan 8.290 nan 0.000 0.406 201 I N -0.477 119.968 120.570 -0.209 0.000 2.099 201 I HA -0.346 3.824 4.170 0.000 0.000 0.239 201 I C 2.373 178.424 176.117 -0.110 0.000 1.066 201 I CA 1.827 63.002 61.300 -0.208 0.000 1.324 201 I CB -0.421 37.382 38.000 -0.327 0.000 1.037 201 I HN 0.390 nan 8.210 nan 0.000 0.401 202 E N 0.500 120.649 120.200 -0.085 0.000 2.065 202 E HA -0.305 4.045 4.350 0.000 0.000 0.201 202 E C 2.025 178.600 176.600 -0.041 0.000 1.016 202 E CA 2.062 58.432 56.400 -0.050 0.000 0.818 202 E CB -0.064 29.615 29.700 -0.034 0.000 0.749 202 E HN 0.531 nan 8.360 nan 0.000 0.453 203 S N -1.247 114.427 115.700 -0.042 0.000 2.607 203 S HA 0.106 4.576 4.470 0.000 0.000 0.224 203 S C 1.453 176.038 174.600 -0.026 0.000 0.969 203 S CA 0.653 58.834 58.200 -0.030 0.000 0.927 203 S CB 0.295 63.478 63.200 -0.028 0.000 0.772 203 S HN 0.557 nan 8.310 nan 0.000 0.533 204 G N 0.357 109.137 108.800 -0.034 0.000 2.162 204 G HA2 -0.314 3.646 3.960 0.000 0.000 0.260 204 G HA3 -0.314 3.646 3.960 0.000 0.000 0.260 204 G C 0.709 175.599 174.900 -0.016 0.000 0.976 204 G CA 0.291 45.375 45.100 -0.027 0.000 0.655 204 G HN 0.717 nan 8.290 nan 0.000 0.533 205 V N 0.364 120.268 119.914 -0.016 0.000 2.515 205 V HA 0.095 4.215 4.120 0.000 0.000 0.250 205 V C 1.627 177.726 176.094 0.007 0.000 1.058 205 V CA 1.422 63.726 62.300 0.006 0.000 1.064 205 V CB -0.262 31.569 31.823 0.012 0.000 0.675 205 V HN 0.475 nan 8.190 nan 0.000 0.461 206 I N 1.786 122.342 120.570 -0.023 0.000 2.354 206 I HA 0.393 4.563 4.170 0.000 0.000 0.292 206 I C -0.564 175.526 176.117 -0.046 0.000 0.989 206 I CA -0.000 61.283 61.300 -0.027 0.000 1.188 206 I CB 1.252 39.213 38.000 -0.065 0.000 1.342 206 I HN 0.206 nan 8.210 nan 0.000 0.457 207 N N 6.795 125.482 118.700 -0.021 0.000 2.442 207 N HA 0.360 5.100 4.740 0.000 0.000 0.274 207 N C -0.001 175.501 175.510 -0.014 0.000 1.002 207 N CA -0.451 52.586 53.050 -0.022 0.000 0.910 207 N CB 1.746 40.228 38.487 -0.008 0.000 1.244 207 N HN 0.488 nan 8.380 nan 0.000 0.492 208 L N 2.379 123.588 121.223 -0.023 0.000 2.612 208 L HA 0.199 4.539 4.340 0.000 0.000 0.230 208 L C 1.676 178.546 176.870 0.000 0.000 1.140 208 L CA 0.245 55.081 54.840 -0.006 0.000 0.896 208 L CB 0.016 42.068 42.059 -0.012 0.000 1.065 208 L HN 0.307 nan 8.230 nan 0.000 0.447 209 K N -0.305 120.094 120.400 -0.003 0.000 2.216 209 K HA 0.205 4.525 4.320 0.000 0.000 0.207 209 K C 0.292 176.895 176.600 0.004 0.000 1.041 209 K CA 0.562 56.849 56.287 0.001 0.000 0.966 209 K CB 0.242 32.740 32.500 -0.003 0.000 0.955 209 K HN 0.124 nan 8.250 nan 0.000 0.468 210 D N 0.062 120.465 120.400 0.004 0.000 2.487 210 D HA 0.320 4.960 4.640 0.000 0.000 0.262 210 D C -0.564 175.743 176.300 0.011 0.000 1.130 210 D CA -0.524 53.481 54.000 0.008 0.000 1.038 210 D CB 0.836 41.641 40.800 0.009 0.000 1.142 210 D HN 0.025 nan 8.370 nan 0.000 0.575 211 A N 0.125 122.955 122.820 0.015 0.000 3.000 211 A HA 0.434 4.753 4.320 0.000 0.000 0.315 211 A C 0.521 178.121 177.584 0.027 0.000 1.434 211 A CA -0.369 51.680 52.037 0.019 0.000 1.108 211 A CB -0.681 18.332 19.000 0.022 0.000 1.171 211 A HN 0.514 nan 8.150 nan 0.000 0.524 212 T N -3.097 111.472 114.554 0.025 0.000 3.192 212 T HA 0.216 4.566 4.350 0.000 0.000 0.295 212 T C 0.404 175.127 174.700 0.038 0.000 0.947 212 T CA 0.155 62.276 62.100 0.033 0.000 0.916 212 T CB -0.262 68.620 68.868 0.022 0.000 1.169 212 T HN 0.238 nan 8.240 nan 0.000 0.540 213 S N 1.772 117.488 115.700 0.027 0.000 2.572 213 S HA 0.364 4.834 4.470 0.000 0.000 0.279 213 S C 0.695 175.321 174.600 0.043 0.000 1.341 213 S CA -0.445 57.772 58.200 0.028 0.000 1.043 213 S CB 1.195 64.406 63.200 0.018 0.000 0.887 213 S HN 0.373 nan 8.310 nan 0.000 0.516 214 K N 0.890 121.333 120.400 0.072 0.000 2.387 214 K HA 0.283 4.603 4.320 0.000 0.000 0.203 214 K C -0.919 175.746 176.600 0.109 0.000 1.030 214 K CA 0.113 56.486 56.287 0.142 0.000 1.099 214 K CB 0.799 33.408 32.500 0.181 0.000 0.863 214 K HN 0.353 nan 8.250 nan 0.000 0.529 215 V N 0.824 120.778 119.914 0.067 0.000 2.638 215 V HA 0.643 4.763 4.120 0.000 0.000 0.306 215 V C -0.819 175.332 176.094 0.094 0.000 1.052 215 V CA -1.425 60.934 62.300 0.098 0.000 0.885 215 V CB 1.690 33.587 31.823 0.124 0.000 0.999 215 V HN 0.053 nan 8.190 nan 0.000 0.424 216 A N 5.333 128.229 122.820 0.127 0.000 2.304 216 A HA 0.898 5.218 4.320 0.000 0.000 0.323 216 A C -0.803 176.877 177.584 0.160 0.000 1.195 216 A CA -0.513 51.605 52.037 0.134 0.000 0.826 216 A CB 0.725 19.825 19.000 0.166 0.000 1.184 216 A HN 0.817 nan 8.150 nan 0.000 0.496 217 L N 2.783 124.099 121.223 0.156 0.000 2.317 217 L HA 0.637 4.977 4.340 0.000 0.000 0.281 217 L C -0.858 176.101 176.870 0.148 0.000 1.024 217 L CA -0.865 54.096 54.840 0.202 0.000 0.810 217 L CB 1.783 44.026 42.059 0.307 0.000 1.240 217 L HN 0.419 nan 8.230 nan 0.000 0.427 218 V N 2.989 122.928 119.914 0.041 0.000 2.588 218 V HA 0.512 4.632 4.120 0.000 0.000 0.304 218 V C -1.266 174.738 176.094 -0.150 0.000 1.042 218 V CA -0.662 61.639 62.300 0.001 0.000 0.877 218 V CB 2.033 33.828 31.823 -0.047 0.000 0.996 218 V HN 0.467 nan 8.190 nan 0.000 0.425 219 Y N 1.194 121.516 120.300 0.036 0.000 2.504 219 Y HA 0.733 5.283 4.550 0.000 0.000 0.344 219 Y C 0.454 176.368 175.900 0.023 0.000 1.023 219 Y CA -0.631 57.496 58.100 0.045 0.000 1.020 219 Y CB 2.897 41.377 38.460 0.033 0.000 1.282 219 Y HN 0.706 nan 8.280 nan 0.000 0.454 220 G N 3.299 112.207 108.800 0.180 0.000 3.582 220 G HA2 0.253 4.213 3.960 0.000 0.000 0.302 220 G HA3 0.253 4.213 3.960 0.000 0.000 0.302 220 G C -0.976 173.992 174.900 0.113 0.000 1.418 220 G CA -0.589 44.578 45.100 0.112 0.000 0.718 220 G HN 0.293 nan 8.290 nan 0.000 0.479 221 Q N 0.699 120.584 119.800 0.142 0.000 2.527 221 Q HA 0.264 4.604 4.340 0.000 0.000 0.189 221 Q C 1.909 177.950 176.000 0.068 0.000 1.116 221 Q CA -0.560 55.316 55.803 0.122 0.000 1.169 221 Q CB 0.599 29.417 28.738 0.134 0.000 1.211 221 Q HN 0.470 nan 8.270 nan 0.000 0.649 222 M N 0.825 120.460 119.600 0.058 0.000 2.426 222 M HA -0.217 4.263 4.480 0.000 0.000 0.261 222 M C 1.253 177.568 176.300 0.024 0.000 1.068 222 M CA 1.628 56.948 55.300 0.034 0.000 1.066 222 M CB -0.426 32.192 32.600 0.030 0.000 1.399 222 M HN 0.599 nan 8.290 nan 0.000 0.449 223 N N -1.158 117.558 118.700 0.027 0.000 2.299 223 N HA 0.035 4.775 4.740 0.000 0.000 0.187 223 N C -0.154 175.366 175.510 0.016 0.000 1.099 223 N CA -0.261 52.800 53.050 0.018 0.000 0.867 223 N CB 0.239 38.736 38.487 0.015 0.000 0.974 223 N HN 0.140 nan 8.380 nan 0.000 0.477 224 E N 1.901 122.113 120.200 0.021 0.000 2.349 224 E HA 0.251 4.601 4.350 0.000 0.000 0.262 224 E C -2.276 174.329 176.600 0.009 0.000 1.088 224 E CA -1.947 54.463 56.400 0.018 0.000 0.899 224 E CB 0.455 30.171 29.700 0.026 0.000 1.044 224 E HN 0.167 nan 8.360 nan 0.000 0.420 225 P HA 0.088 nan 4.420 nan 0.000 0.274 225 P C -1.952 175.344 177.300 -0.006 0.000 1.231 225 P CA -1.269 61.831 63.100 -0.001 0.000 0.790 225 P CB -0.049 31.652 31.700 0.001 0.000 0.951 226 P HA -0.296 nan 4.420 nan 0.000 0.222 226 P C 1.614 178.895 177.300 -0.031 0.000 1.159 226 P CA 2.475 65.556 63.100 -0.032 0.000 0.920 226 P CB -0.807 30.869 31.700 -0.040 0.000 0.793 227 G N -0.211 108.579 108.800 -0.018 0.000 2.469 227 G HA2 -0.261 3.699 3.960 0.000 0.000 0.220 227 G HA3 -0.261 3.699 3.960 0.000 0.000 0.220 227 G C 1.778 176.681 174.900 0.005 0.000 1.136 227 G CA 1.408 46.503 45.100 -0.007 0.000 0.759 227 G HN 0.462 nan 8.290 nan 0.000 0.562 228 A N 0.679 123.504 122.820 0.009 0.000 1.877 228 A HA 0.013 4.333 4.320 0.000 0.000 0.216 228 A C 2.424 180.022 177.584 0.023 0.000 1.186 228 A CA 1.631 53.679 52.037 0.019 0.000 0.620 228 A CB -0.423 18.590 19.000 0.021 0.000 0.822 228 A HN 0.338 nan 8.150 nan 0.000 0.443 229 R N -0.666 119.842 120.500 0.013 0.000 2.152 229 R HA -0.045 4.295 4.340 0.000 0.000 0.232 229 R C 2.090 178.407 176.300 0.029 0.000 1.117 229 R CA 0.990 57.100 56.100 0.017 0.000 0.981 229 R CB -0.312 29.985 30.300 -0.005 0.000 0.870 229 R HN 0.513 nan 8.270 nan 0.000 0.451 230 A N 0.170 122.986 122.820 -0.006 0.000 2.208 230 A HA 0.022 4.342 4.320 0.000 0.000 0.209 230 A C 1.612 179.264 177.584 0.113 0.000 1.161 230 A CA 0.602 52.618 52.037 -0.036 0.000 0.782 230 A CB 0.198 19.125 19.000 -0.122 0.000 0.816 230 A HN 0.077 nan 8.150 nan 0.000 0.477 231 R N -1.510 119.044 120.500 0.089 0.000 2.453 231 R HA 0.144 4.484 4.340 0.000 0.000 0.233 231 R C 1.583 177.896 176.300 0.021 0.000 0.895 231 R CA 0.813 56.953 56.100 0.066 0.000 1.028 231 R CB -0.286 30.032 30.300 0.030 0.000 1.255 231 R HN 0.341 nan 8.270 nan 0.000 0.571 232 V N 1.824 121.753 119.914 0.025 0.000 2.380 232 V HA -0.262 3.858 4.120 0.000 0.000 0.251 232 V C 2.610 178.669 176.094 -0.058 0.000 1.063 232 V CA 2.235 64.528 62.300 -0.012 0.000 1.055 232 V CB -0.861 30.961 31.823 -0.002 0.000 0.657 232 V HN 0.265 nan 8.190 nan 0.000 0.455 233 A N 0.180 122.967 122.820 -0.055 0.000 1.873 233 A HA -0.206 4.114 4.320 0.000 0.000 0.218 233 A C 2.231 179.709 177.584 -0.177 0.000 1.193 233 A CA 2.131 54.074 52.037 -0.156 0.000 0.629 233 A CB -0.653 18.193 19.000 -0.257 0.000 0.826 233 A HN 0.496 nan 8.150 nan 0.000 0.447 234 L N -0.729 120.404 121.223 -0.151 0.000 2.043 234 L HA -0.226 4.114 4.340 0.000 0.000 0.212 234 L C 2.828 179.610 176.870 -0.146 0.000 1.075 234 L CA 2.030 56.767 54.840 -0.172 0.000 0.752 234 L CB -1.382 40.553 42.059 -0.207 0.000 0.891 234 L HN 0.412 nan 8.230 nan 0.000 0.432 235 T N -0.175 114.311 114.554 -0.114 0.000 2.622 235 T HA -0.160 4.190 4.350 0.000 0.000 0.266 235 T C 1.837 176.484 174.700 -0.089 0.000 1.047 235 T CA 1.547 63.594 62.100 -0.088 0.000 1.159 235 T CB -0.709 68.126 68.868 -0.055 0.000 0.863 235 T HN 0.568 nan 8.240 nan 0.000 0.422 236 G N 1.585 110.325 108.800 -0.099 0.000 2.440 236 G HA2 -0.183 3.777 3.960 0.000 0.000 0.218 236 G HA3 -0.183 3.777 3.960 0.000 0.000 0.218 236 G C 1.532 176.374 174.900 -0.096 0.000 1.154 236 G CA 0.936 45.977 45.100 -0.098 0.000 0.767 236 G HN 0.377 nan 8.290 nan 0.000 0.552 237 L N 1.249 122.397 121.223 -0.125 0.000 1.971 237 L HA -0.103 4.237 4.340 0.000 0.000 0.215 237 L C 2.932 179.748 176.870 -0.090 0.000 1.072 237 L CA 2.849 57.614 54.840 -0.124 0.000 0.758 237 L CB -1.304 40.659 42.059 -0.160 0.000 0.889 237 L HN 0.236 nan 8.230 nan 0.000 0.433 238 T N -0.915 113.583 114.554 -0.093 0.000 2.665 238 T HA -0.212 4.138 4.350 0.000 0.000 0.268 238 T C 2.022 176.673 174.700 -0.082 0.000 1.035 238 T CA 1.758 63.811 62.100 -0.078 0.000 1.151 238 T CB -0.617 68.202 68.868 -0.080 0.000 0.862 238 T HN 0.230 nan 8.240 nan 0.000 0.438 239 V N 1.672 121.530 119.914 -0.094 0.000 2.282 239 V HA -0.255 3.865 4.120 0.000 0.000 0.249 239 V C 2.867 178.895 176.094 -0.111 0.000 1.057 239 V CA 1.921 64.142 62.300 -0.131 0.000 1.032 239 V CB -1.215 30.570 31.823 -0.064 0.000 0.645 239 V HN 0.582 nan 8.190 nan 0.000 0.447 240 A N -0.695 122.130 122.820 0.009 0.000 1.898 240 A HA -0.237 4.083 4.320 0.000 0.000 0.216 240 A C 2.136 179.757 177.584 0.061 0.000 1.181 240 A CA 1.786 53.888 52.037 0.108 0.000 0.620 240 A CB -0.494 18.541 19.000 0.058 0.000 0.819 240 A HN 0.638 nan 8.150 nan 0.000 0.442 241 E N -1.453 118.744 120.200 -0.005 0.000 2.070 241 E HA -0.276 4.074 4.350 0.000 0.000 0.197 241 E C 1.847 178.436 176.600 -0.019 0.000 1.004 241 E CA 1.692 58.084 56.400 -0.013 0.000 0.805 241 E CB -0.416 29.269 29.700 -0.025 0.000 0.744 241 E HN 0.793 nan 8.360 nan 0.000 0.451 242 Y N 0.749 120.935 120.300 -0.191 0.000 2.081 242 Y HA -0.301 4.249 4.550 0.000 0.000 0.280 242 Y C 1.939 177.737 175.900 -0.171 0.000 1.163 242 Y CA 1.831 59.775 58.100 -0.260 0.000 1.135 242 Y CB -0.417 37.764 38.460 -0.464 0.000 0.970 242 Y HN -0.049 nan 8.280 nan 0.000 0.498 243 F N 0.223 120.215 119.950 0.071 0.000 2.269 243 F HA -0.120 4.407 4.527 -0.000 0.000 0.301 243 F C 2.688 178.461 175.800 -0.045 0.000 1.082 243 F CA 1.655 59.676 58.000 0.035 0.000 1.360 243 F CB -0.841 38.321 39.000 0.271 0.000 1.041 243 F HN 0.041 nan 8.300 nan 0.000 0.512 244 R N 0.515 121.082 120.500 0.112 0.000 2.055 244 R HA -0.126 4.214 4.340 0.000 0.000 0.228 244 R C 1.693 177.975 176.300 -0.030 0.000 1.143 244 R CA 2.025 58.150 56.100 0.043 0.000 0.945 244 R CB -0.329 29.987 30.300 0.026 0.000 0.841 244 R HN 0.127 nan 8.270 nan 0.000 0.429 245 D N 0.155 120.509 120.400 -0.076 0.000 2.149 245 D HA -0.080 4.560 4.640 0.000 0.000 0.206 245 D C 1.872 178.084 176.300 -0.147 0.000 0.967 245 D CA 0.790 54.735 54.000 -0.091 0.000 0.848 245 D CB -0.157 40.602 40.800 -0.067 0.000 0.998 245 D HN 0.198 nan 8.370 nan 0.000 0.474 246 Q N 0.375 119.999 119.800 -0.294 0.000 2.515 246 Q HA 0.006 4.346 4.340 0.000 0.000 0.212 246 Q C 0.666 176.457 176.000 -0.349 0.000 0.970 246 Q CA 0.673 56.224 55.803 -0.420 0.000 0.941 246 Q CB 0.341 28.485 28.738 -0.989 0.000 0.998 246 Q HN 0.539 nan 8.270 nan 0.000 0.518 247 E N -2.093 117.979 120.200 -0.213 0.000 2.655 247 E HA 0.168 4.518 4.350 0.000 0.000 0.212 247 E C 0.670 177.253 176.600 -0.030 0.000 0.927 247 E CA 0.317 56.671 56.400 -0.078 0.000 1.406 247 E CB 1.046 30.765 29.700 0.031 0.000 1.385 247 E HN 0.265 nan 8.360 nan 0.000 0.748 248 G N 1.884 110.662 108.800 -0.038 0.000 2.189 248 G HA2 -0.279 3.681 3.960 0.000 0.000 0.267 248 G HA3 -0.279 3.681 3.960 0.000 0.000 0.267 248 G C 0.220 175.105 174.900 -0.026 0.000 0.975 248 G CA 0.599 45.682 45.100 -0.029 0.000 0.644 248 G HN 0.119 nan 8.290 nan 0.000 0.537 249 Q N 1.246 121.032 119.800 -0.024 0.000 2.322 249 Q HA 0.372 4.712 4.340 0.000 0.000 0.265 249 Q C -0.534 175.450 176.000 -0.026 0.000 0.985 249 Q CA -0.808 54.957 55.803 -0.064 0.000 0.849 249 Q CB 1.364 30.008 28.738 -0.156 0.000 1.274 249 Q HN 0.364 nan 8.270 nan 0.000 0.449 250 D N 1.550 121.947 120.400 -0.006 0.000 3.139 250 D HA -0.048 4.592 4.640 0.000 0.000 0.212 250 D C -0.042 176.347 176.300 0.148 0.000 1.084 250 D CA 0.762 54.800 54.000 0.064 0.000 0.777 250 D CB 0.226 41.083 40.800 0.094 0.000 1.156 250 D HN 0.111 nan 8.370 nan 0.000 0.537 251 V N 2.555 122.540 119.914 0.119 0.000 2.975 251 V HA 0.532 4.652 4.120 0.000 0.000 0.318 251 V C 0.526 176.590 176.094 -0.051 0.000 1.077 251 V CA -1.047 61.325 62.300 0.120 0.000 1.000 251 V CB 1.819 33.737 31.823 0.158 0.000 1.066 251 V HN 0.340 nan 8.190 nan 0.000 0.452 252 L N 2.724 123.876 121.223 -0.117 0.000 2.362 252 L HA 0.633 4.973 4.340 0.000 0.000 0.275 252 L C -1.306 175.429 176.870 -0.226 0.000 0.998 252 L CA -0.572 54.094 54.840 -0.289 0.000 0.820 252 L CB 1.897 43.760 42.059 -0.327 0.000 1.270 252 L HN 0.498 nan 8.230 nan 0.000 0.415 253 L N 3.794 124.751 121.223 -0.444 0.000 2.404 253 L HA 0.577 4.917 4.340 0.000 0.000 0.272 253 L C -1.535 174.992 176.870 -0.571 0.000 0.980 253 L CA 0.128 54.767 54.840 -0.336 0.000 0.836 253 L CB 1.316 43.241 42.059 -0.224 0.000 1.238 253 L HN 0.213 nan 8.230 nan 0.000 0.408 254 F N 5.816 125.652 119.950 -0.191 0.000 2.458 254 F HA 0.653 5.180 4.527 -0.000 0.000 0.336 254 F C 0.029 175.446 175.800 -0.638 0.000 1.114 254 F CA -0.514 57.299 58.000 -0.311 0.000 0.987 254 F CB 1.525 40.447 39.000 -0.130 0.000 1.130 254 F HN 0.208 nan 8.300 nan 0.000 0.458 255 I N 2.563 122.903 120.570 -0.383 0.000 2.498 255 I HA 0.355 4.525 4.170 0.000 0.000 0.290 255 I C -1.410 174.503 176.117 -0.339 0.000 1.032 255 I CA -0.636 60.388 61.300 -0.461 0.000 1.073 255 I CB 2.245 40.056 38.000 -0.315 0.000 1.251 255 I HN 0.426 nan 8.210 nan 0.000 0.426 256 D N 5.529 125.735 120.400 -0.323 0.000 2.479 256 D HA 0.261 4.901 4.640 0.000 0.000 0.246 256 D C -1.423 174.877 176.300 0.000 0.000 1.336 256 D CA -0.229 53.735 54.000 -0.059 0.000 0.967 256 D CB 1.327 42.212 40.800 0.142 0.000 1.275 256 D HN 0.452 nan 8.370 nan 0.000 0.577 257 N N 3.904 122.622 118.700 0.029 0.000 2.258 257 N HA 0.215 4.955 4.740 0.000 0.000 0.299 257 N C 0.565 176.103 175.510 0.047 0.000 1.047 257 N CA -0.489 52.593 53.050 0.053 0.000 0.814 257 N CB 1.838 40.412 38.487 0.146 0.000 1.413 257 N HN 0.316 nan 8.380 nan 0.000 0.478 258 I N 3.490 124.059 120.570 -0.001 0.000 3.001 258 I HA -0.058 4.112 4.170 0.000 0.000 0.268 258 I C 1.577 177.760 176.117 0.111 0.000 1.267 258 I CA 0.588 61.877 61.300 -0.019 0.000 1.472 258 I CB -0.390 37.522 38.000 -0.147 0.000 1.089 258 I HN 0.583 nan 8.210 nan 0.000 0.468 259 F N 0.986 120.956 119.950 0.034 0.000 2.234 259 F HA -0.149 4.378 4.527 0.000 0.000 0.299 259 F C 2.256 178.136 175.800 0.134 0.000 1.087 259 F CA 1.175 59.236 58.000 0.101 0.000 1.340 259 F CB -0.294 38.800 39.000 0.156 0.000 1.031 259 F HN -0.069 nan 8.300 nan 0.000 0.500 260 R N 0.285 120.779 120.500 -0.011 0.000 2.127 260 R HA -0.226 4.114 4.340 0.000 0.000 0.238 260 R C 2.170 178.400 176.300 -0.116 0.000 1.134 260 R CA 1.633 57.666 56.100 -0.112 0.000 0.975 260 R CB -1.902 28.415 30.300 0.027 0.000 0.865 260 R HN 0.536 nan 8.270 nan 0.000 0.447 261 F N 1.555 121.395 119.950 -0.183 0.000 2.146 261 F HA -0.136 4.391 4.527 -0.000 0.000 0.298 261 F C 1.867 177.567 175.800 -0.166 0.000 1.096 261 F CA 1.569 59.480 58.000 -0.147 0.000 1.275 261 F CB -0.367 38.560 39.000 -0.122 0.000 1.008 261 F HN -0.127 nan 8.300 nan 0.000 0.480 262 T N 0.260 114.684 114.554 -0.216 0.000 2.857 262 T HA -0.205 4.145 4.350 0.000 0.000 0.266 262 T C 1.866 176.389 174.700 -0.295 0.000 1.048 262 T CA 1.464 63.377 62.100 -0.313 0.000 1.139 262 T CB -0.359 68.437 68.868 -0.120 0.000 0.874 262 T HN 0.469 nan 8.240 nan 0.000 0.455 263 Q N 0.827 120.352 119.800 -0.458 0.000 2.050 263 Q HA -0.100 4.240 4.340 0.000 0.000 0.202 263 Q C 2.524 178.399 176.000 -0.207 0.000 0.980 263 Q CA 1.510 57.107 55.803 -0.344 0.000 0.840 263 Q CB -0.327 28.087 28.738 -0.540 0.000 0.898 263 Q HN 0.518 nan 8.270 nan 0.000 0.424 264 A N 0.587 123.268 122.820 -0.232 0.000 1.883 264 A HA -0.165 4.155 4.320 0.000 0.000 0.217 264 A C 2.297 179.767 177.584 -0.191 0.000 1.186 264 A CA 1.802 53.732 52.037 -0.178 0.000 0.624 264 A CB -1.500 17.402 19.000 -0.163 0.000 0.822 264 A HN 0.627 nan 8.150 nan 0.000 0.444 265 G N -0.226 108.403 108.800 -0.286 0.000 2.442 265 G HA2 -0.230 3.730 3.960 0.000 0.000 0.219 265 G HA3 -0.230 3.730 3.960 0.000 0.000 0.219 265 G C 1.957 176.786 174.900 -0.119 0.000 1.141 265 G CA 1.868 46.822 45.100 -0.243 0.000 0.763 265 G HN 0.940 nan 8.290 nan 0.000 0.554 266 S N 0.305 115.959 115.700 -0.077 0.000 2.428 266 S HA -0.011 4.459 4.470 0.000 0.000 0.230 266 S C 1.942 176.504 174.600 -0.064 0.000 1.014 266 S CA 1.470 59.648 58.200 -0.036 0.000 0.957 266 S CB -0.221 62.960 63.200 -0.031 0.000 0.784 266 S HN 0.578 nan 8.310 nan 0.000 0.499 267 E N 0.890 121.044 120.200 -0.076 0.000 2.072 267 E HA -0.092 4.258 4.350 0.000 0.000 0.191 267 E C 2.327 178.897 176.600 -0.049 0.000 0.985 267 E CA 1.550 57.913 56.400 -0.062 0.000 0.801 267 E CB -0.305 29.359 29.700 -0.060 0.000 0.750 267 E HN 0.661 nan 8.360 nan 0.000 0.452 268 V N -1.518 118.364 119.914 -0.054 0.000 2.878 268 V HA -0.058 4.062 4.120 0.000 0.000 0.250 268 V C 2.236 178.311 176.094 -0.033 0.000 1.075 268 V CA 1.431 63.707 62.300 -0.040 0.000 1.096 268 V CB 0.272 32.070 31.823 -0.041 0.000 0.724 268 V HN 0.145 nan 8.190 nan 0.000 0.467 269 S N 1.441 117.119 115.700 -0.037 0.000 2.381 269 S HA -0.305 4.165 4.470 0.000 0.000 0.230 269 S C 2.173 176.764 174.600 -0.015 0.000 1.052 269 S CA 2.682 60.868 58.200 -0.023 0.000 1.068 269 S CB -0.790 62.401 63.200 -0.015 0.000 0.918 269 S HN 1.164 nan 8.310 nan 0.000 0.448 270 A N 1.545 124.354 122.820 -0.017 0.000 1.877 270 A HA 0.024 4.344 4.320 0.000 0.000 0.216 270 A C 2.274 179.852 177.584 -0.010 0.000 1.186 270 A CA 1.629 53.659 52.037 -0.013 0.000 0.620 270 A CB -0.889 18.101 19.000 -0.016 0.000 0.822 270 A HN 0.609 nan 8.150 nan 0.000 0.443 271 L N -0.656 120.560 121.223 -0.012 0.000 2.079 271 L HA -0.201 4.139 4.340 0.000 0.000 0.210 271 L C 2.285 179.152 176.870 -0.005 0.000 1.081 271 L CA 1.130 55.965 54.840 -0.008 0.000 0.752 271 L CB -0.766 41.288 42.059 -0.010 0.000 0.896 271 L HN 0.367 nan 8.230 nan 0.000 0.433 272 L N 0.097 121.316 121.223 -0.007 0.000 2.549 272 L HA -0.011 4.329 4.340 0.000 0.000 0.229 272 L C 1.308 178.178 176.870 0.000 0.000 1.158 272 L CA 0.645 55.483 54.840 -0.003 0.000 0.842 272 L CB -0.759 41.296 42.059 -0.007 0.000 0.952 272 L HN 0.532 nan 8.230 nan 0.000 0.452 273 G N 0.849 109.649 108.800 -0.001 0.000 2.204 273 G HA2 -0.257 3.703 3.960 0.000 0.000 0.244 273 G HA3 -0.257 3.703 3.960 0.000 0.000 0.244 273 G C -0.011 174.890 174.900 0.003 0.000 1.062 273 G CA -0.326 44.775 45.100 0.002 0.000 0.798 273 G HN 0.387 nan 8.290 nan 0.000 0.496 274 R N -0.772 119.729 120.500 0.002 0.000 2.540 274 R HA 0.650 4.990 4.340 0.000 0.000 0.287 274 R C 0.816 177.121 176.300 0.008 0.000 0.980 274 R CA -0.999 55.104 56.100 0.005 0.000 0.966 274 R CB 1.393 31.697 30.300 0.006 0.000 1.106 274 R HN 0.274 nan 8.270 nan 0.000 0.480 275 I N 4.666 125.242 120.570 0.010 0.000 2.517 275 I HA 0.084 4.254 4.170 0.000 0.000 0.285 275 I C -1.659 174.469 176.117 0.018 0.000 1.106 275 I CA -1.705 59.602 61.300 0.012 0.000 1.402 275 I CB 0.312 38.320 38.000 0.013 0.000 1.399 275 I HN 0.290 nan 8.210 nan 0.000 0.535 276 P HA 0.075 nan 4.420 nan 0.000 0.269 276 P C -0.196 177.129 177.300 0.042 0.000 1.215 276 P CA -0.161 62.957 63.100 0.028 0.000 0.780 276 P CB 1.056 32.766 31.700 0.016 0.000 0.898 277 S N 0.604 116.344 115.700 0.067 0.000 2.495 277 S HA 0.612 5.082 4.470 0.000 0.000 0.273 277 S C 0.000 174.654 174.600 0.090 0.000 1.156 277 S CA -0.352 57.894 58.200 0.077 0.000 1.032 277 S CB -0.056 63.198 63.200 0.091 0.000 1.160 277 S HN 0.599 nan 8.310 nan 0.000 0.489 278 A N 0.209 123.093 122.820 0.107 0.000 2.462 278 A HA 0.450 4.770 4.320 0.000 0.000 0.243 278 A C 0.891 178.576 177.584 0.169 0.000 1.076 278 A CA 0.290 52.395 52.037 0.114 0.000 0.773 278 A CB -0.608 18.455 19.000 0.105 0.000 1.010 278 A HN 1.595 nan 8.150 nan 0.000 0.493 279 V N 0.835 120.817 119.914 0.114 0.000 3.444 279 V HA -0.303 3.817 4.120 0.000 0.000 0.197 279 V C 1.708 177.780 176.094 -0.037 0.000 0.437 279 V CA 1.478 63.827 62.300 0.082 0.000 1.061 279 V CB -2.514 29.421 31.823 0.186 0.000 1.198 279 V HN 2.937 nan 8.190 nan 0.000 1.198 280 G N -2.490 106.305 108.800 -0.008 0.000 2.162 280 G HA2 -0.345 3.615 3.960 0.000 0.000 0.260 280 G HA3 -0.345 3.615 3.960 0.000 0.000 0.260 280 G C -0.146 174.703 174.900 -0.084 0.000 0.976 280 G CA 0.481 45.543 45.100 -0.062 0.000 0.655 280 G HN 0.947 nan 8.290 nan 0.000 0.533 281 Y N 1.482 121.798 120.300 0.026 0.000 2.299 281 Y HA 0.406 4.956 4.550 -0.000 0.000 0.335 281 Y C 1.502 177.404 175.900 0.003 0.000 1.287 281 Y CA -0.012 58.097 58.100 0.015 0.000 1.424 281 Y CB 0.489 38.968 38.460 0.032 0.000 1.326 281 Y HN 0.443 nan 8.280 nan 0.000 0.567 282 Q N 3.185 123.102 119.800 0.194 0.000 2.364 282 Q HA 0.089 4.429 4.340 0.000 0.000 0.267 282 Q C -2.198 173.851 176.000 0.081 0.000 0.999 282 Q CA -1.660 54.196 55.803 0.089 0.000 0.886 282 Q CB 0.803 29.572 28.738 0.051 0.000 1.243 282 Q HN 0.383 nan 8.270 nan 0.000 0.415 283 P HA -0.119 nan 4.420 nan 0.000 0.226 283 P C 1.090 178.410 177.300 0.034 0.000 1.153 283 P CA 1.337 64.463 63.100 0.044 0.000 0.777 283 P CB -0.040 31.679 31.700 0.031 0.000 0.794 284 T N -4.002 110.568 114.554 0.026 0.000 3.163 284 T HA 0.120 4.470 4.350 0.000 0.000 0.252 284 T C 1.566 176.279 174.700 0.022 0.000 1.056 284 T CA -0.311 61.801 62.100 0.021 0.000 0.947 284 T CB -1.016 67.858 68.868 0.011 0.000 1.016 284 T HN -0.066 nan 8.240 nan 0.000 0.554 285 L N 1.163 122.396 121.223 0.018 0.000 1.991 285 L HA -0.177 4.163 4.340 0.000 0.000 0.221 285 L C 2.865 179.754 176.870 0.031 0.000 1.079 285 L CA 2.301 57.140 54.840 -0.002 0.000 0.778 285 L CB -0.879 41.147 42.059 -0.054 0.000 0.893 285 L HN 0.428 nan 8.230 nan 0.000 0.437 286 A N -0.735 122.110 122.820 0.042 0.000 1.877 286 A HA -0.259 4.061 4.320 0.000 0.000 0.216 286 A C 2.363 180.006 177.584 0.098 0.000 1.186 286 A CA 2.658 54.742 52.037 0.077 0.000 0.620 286 A CB -1.372 17.667 19.000 0.064 0.000 0.822 286 A HN 0.691 nan 8.150 nan 0.000 0.443 287 T N -1.545 113.053 114.554 0.073 0.000 2.684 287 T HA -0.210 4.140 4.350 0.000 0.000 0.267 287 T C 1.399 176.155 174.700 0.095 0.000 1.036 287 T CA 1.740 63.885 62.100 0.075 0.000 1.148 287 T CB -0.728 68.171 68.868 0.051 0.000 0.863 287 T HN 0.398 nan 8.240 nan 0.000 0.436 288 D N 1.045 121.504 120.400 0.098 0.000 2.106 288 D HA -0.118 4.522 4.640 0.000 0.000 0.191 288 D C 2.050 178.505 176.300 0.259 0.000 0.997 288 D CA 1.425 55.520 54.000 0.158 0.000 0.834 288 D CB -0.571 40.274 40.800 0.075 0.000 0.956 288 D HN 0.434 nan 8.370 nan 0.000 0.448 289 M N 0.506 120.241 119.600 0.225 0.000 2.080 289 M HA -0.108 4.372 4.480 0.000 0.000 0.260 289 M C 2.084 178.358 176.300 -0.044 0.000 1.068 289 M CA 2.178 57.565 55.300 0.144 0.000 1.109 289 M CB -0.303 32.374 32.600 0.128 0.000 1.342 289 M HN 0.071 nan 8.290 nan 0.000 0.405 290 G N -0.539 108.307 108.800 0.076 0.000 2.459 290 G HA2 -0.278 3.682 3.960 0.000 0.000 0.217 290 G HA3 -0.278 3.682 3.960 0.000 0.000 0.217 290 G C 1.365 176.285 174.900 0.034 0.000 1.183 290 G CA 1.602 46.767 45.100 0.109 0.000 0.776 290 G HN 0.603 nan 8.290 nan 0.000 0.552 291 T N -1.490 113.092 114.554 0.045 0.000 3.051 291 T HA 0.021 4.371 4.350 0.000 0.000 0.269 291 T C 2.058 176.748 174.700 -0.017 0.000 1.127 291 T CA 1.457 63.575 62.100 0.031 0.000 1.107 291 T CB -0.015 68.888 68.868 0.058 0.000 0.898 291 T HN 0.262 nan 8.240 nan 0.000 0.517 292 M N -0.148 119.406 119.600 -0.076 0.000 2.557 292 M HA 0.097 4.577 4.480 0.000 0.000 0.262 292 M C 2.100 178.245 176.300 -0.260 0.000 1.168 292 M CA 0.906 56.090 55.300 -0.192 0.000 1.194 292 M CB -0.240 32.147 32.600 -0.356 0.000 1.311 292 M HN 0.048 nan 8.290 nan 0.000 0.489 293 Q N 1.101 120.701 119.800 -0.334 0.000 2.124 293 Q HA -0.133 4.207 4.340 0.000 0.000 0.202 293 Q C 1.643 177.527 176.000 -0.193 0.000 0.977 293 Q CA 1.348 56.919 55.803 -0.387 0.000 0.850 293 Q CB -0.487 27.738 28.738 -0.856 0.000 0.901 293 Q HN 0.586 nan 8.270 nan 0.000 0.429 294 E N 0.281 120.419 120.200 -0.102 0.000 2.463 294 E HA -0.135 4.215 4.350 0.000 0.000 0.201 294 E C 1.463 178.040 176.600 -0.039 0.000 1.045 294 E CA 0.492 56.880 56.400 -0.019 0.000 0.872 294 E CB 0.020 29.740 29.700 0.033 0.000 0.797 294 E HN 0.320 nan 8.360 nan 0.000 0.538 295 R N -0.209 120.244 120.500 -0.077 0.000 2.308 295 R HA 0.248 4.588 4.340 0.000 0.000 0.202 295 R C 0.850 177.098 176.300 -0.088 0.000 0.898 295 R CA -0.008 56.049 56.100 -0.072 0.000 1.046 295 R CB 0.608 30.863 30.300 -0.076 0.000 1.026 295 R HN 0.025 nan 8.270 nan 0.000 0.512 296 I N 1.809 122.310 120.570 -0.116 0.000 2.241 296 I HA 0.099 4.269 4.170 0.000 0.000 0.294 296 I C -0.142 175.917 176.117 -0.096 0.000 1.145 296 I CA 0.166 61.391 61.300 -0.125 0.000 1.261 296 I CB 0.820 38.717 38.000 -0.173 0.000 1.475 296 I HN -0.069 nan 8.210 nan 0.000 0.533 297 T N 2.694 117.204 114.554 -0.074 0.000 2.830 297 T HA 0.284 4.634 4.350 0.000 0.000 0.322 297 T C -0.382 174.287 174.700 -0.051 0.000 1.501 297 T CA -0.308 61.757 62.100 -0.058 0.000 1.036 297 T CB 1.752 70.596 68.868 -0.040 0.000 1.379 297 T HN 0.271 nan 8.240 nan 0.000 0.493 298 T N 2.904 117.429 114.554 -0.048 0.000 2.904 298 T HA 0.685 5.035 4.350 0.000 0.000 0.290 298 T C 0.217 174.891 174.700 -0.042 0.000 1.018 298 T CA -0.184 61.891 62.100 -0.042 0.000 1.075 298 T CB 0.936 69.780 68.868 -0.040 0.000 0.986 298 T HN 0.938 nan 8.240 nan 0.000 0.523 299 T N -0.820 113.711 114.554 -0.039 0.000 2.681 299 T HA 0.459 4.809 4.350 0.000 0.000 0.296 299 T C 0.777 175.452 174.700 -0.041 0.000 1.157 299 T CA -1.047 61.027 62.100 -0.043 0.000 1.025 299 T CB 1.401 70.246 68.868 -0.038 0.000 1.441 299 T HN 0.352 nan 8.240 nan 0.000 0.504 300 K N 0.044 120.418 120.400 -0.043 0.000 2.211 300 K HA 0.034 4.354 4.320 0.000 0.000 0.203 300 K C 2.089 178.670 176.600 -0.031 0.000 1.050 300 K CA 1.014 57.278 56.287 -0.039 0.000 0.945 300 K CB -0.072 32.404 32.500 -0.040 0.000 0.732 300 K HN 0.440 nan 8.250 nan 0.000 0.451 301 K N -0.231 120.151 120.400 -0.030 0.000 2.021 301 K HA 0.005 4.325 4.320 0.000 0.000 0.205 301 K C 0.909 177.493 176.600 -0.027 0.000 1.047 301 K CA 0.956 57.226 56.287 -0.029 0.000 0.943 301 K CB 0.348 32.828 32.500 -0.032 0.000 0.725 301 K HN 0.172 nan 8.250 nan 0.000 0.439 302 G N -0.895 107.891 108.800 -0.024 0.000 2.695 302 G HA2 0.365 4.325 3.960 0.000 0.000 0.290 302 G HA3 0.365 4.325 3.960 0.000 0.000 0.290 302 G C -1.654 173.238 174.900 -0.013 0.000 1.410 302 G CA -0.522 44.570 45.100 -0.014 0.000 0.844 302 G HN -0.003 nan 8.290 nan 0.000 0.478 303 S N -0.677 115.021 115.700 -0.004 0.000 2.472 303 S HA 0.726 5.196 4.470 0.000 0.000 0.303 303 S C -0.586 174.009 174.600 -0.009 0.000 1.099 303 S CA -0.694 57.501 58.200 -0.008 0.000 1.077 303 S CB 0.583 63.783 63.200 0.001 0.000 1.031 303 S HN 0.404 nan 8.310 nan 0.000 0.487 304 I N 4.243 124.791 120.570 -0.037 0.000 2.448 304 I HA 0.221 4.391 4.170 0.000 0.000 0.281 304 I C -0.440 175.610 176.117 -0.111 0.000 1.027 304 I CA -0.428 60.833 61.300 -0.065 0.000 1.111 304 I CB 2.069 40.028 38.000 -0.068 0.000 1.236 304 I HN 0.519 nan 8.210 nan 0.000 0.452 305 T N 4.380 118.842 114.554 -0.153 0.000 2.747 305 T HA 0.276 4.626 4.350 0.000 0.000 0.301 305 T C 0.157 174.659 174.700 -0.330 0.000 0.952 305 T CA -0.488 61.490 62.100 -0.203 0.000 0.983 305 T CB 0.401 69.156 68.868 -0.189 0.000 0.930 305 T HN 0.627 nan 8.240 nan 0.000 0.494 306 S N 2.172 117.683 115.700 -0.315 0.000 2.473 306 S HA 0.695 5.165 4.470 0.000 0.000 0.307 306 S C -0.425 173.932 174.600 -0.405 0.000 1.094 306 S CA -0.877 57.087 58.200 -0.393 0.000 1.070 306 S CB 1.401 64.429 63.200 -0.287 0.000 1.019 306 S HN 0.372 nan 8.310 nan 0.000 0.480 307 V N 3.420 123.041 119.914 -0.488 0.000 2.378 307 V HA 0.447 4.567 4.120 0.000 0.000 0.288 307 V C -0.421 175.541 176.094 -0.220 0.000 1.016 307 V CA -0.540 61.565 62.300 -0.325 0.000 0.840 307 V CB 0.971 32.685 31.823 -0.181 0.000 0.994 307 V HN 0.948 nan 8.190 nan 0.000 0.431 308 Q N 2.910 122.583 119.800 -0.212 0.000 2.337 308 Q HA 0.785 5.125 4.340 0.000 0.000 0.266 308 Q C -0.319 175.581 176.000 -0.167 0.000 1.023 308 Q CA -0.642 55.043 55.803 -0.197 0.000 0.829 308 Q CB 2.731 31.327 28.738 -0.238 0.000 1.306 308 Q HN 0.862 nan 8.270 nan 0.000 0.449 309 A N 3.068 125.821 122.820 -0.111 0.000 2.331 309 A HA 0.623 4.943 4.320 0.000 0.000 0.283 309 A C -0.443 177.069 177.584 -0.119 0.000 1.142 309 A CA -0.404 51.588 52.037 -0.076 0.000 0.812 309 A CB 0.220 19.233 19.000 0.021 0.000 1.074 309 A HN 0.747 nan 8.150 nan 0.000 0.497 310 I N 2.733 123.182 120.570 -0.202 0.000 2.493 310 I HA 0.138 4.308 4.170 0.000 0.000 0.279 310 I C -0.834 175.205 176.117 -0.130 0.000 1.045 310 I CA -0.415 60.739 61.300 -0.244 0.000 1.106 310 I CB 1.031 38.590 38.000 -0.735 0.000 1.216 310 I HN 0.758 nan 8.210 nan 0.000 0.459 311 Y N 6.905 127.131 120.300 -0.123 0.000 2.511 311 Y HA 0.273 4.823 4.550 0.000 0.000 0.332 311 Y C -0.322 175.303 175.900 -0.459 0.000 1.177 311 Y CA 0.182 58.139 58.100 -0.240 0.000 1.422 311 Y CB 0.806 39.144 38.460 -0.204 0.000 1.271 311 Y HN 0.261 nan 8.280 nan 0.000 0.550 312 V N 9.499 128.853 119.914 -0.934 0.000 2.313 312 V HA 0.281 4.401 4.120 0.000 0.000 0.278 312 V C -2.171 173.434 176.094 -0.816 0.000 1.017 312 V CA -2.119 59.800 62.300 -0.637 0.000 0.823 312 V CB 0.986 32.658 31.823 -0.251 0.000 1.010 312 V HN 0.712 nan 8.190 nan 0.000 0.443 313 P HA 0.127 nan 4.420 nan 0.000 0.267 313 P C 0.602 177.844 177.300 -0.097 0.000 1.205 313 P CA 0.773 63.754 63.100 -0.200 0.000 0.765 313 P CB 0.892 32.629 31.700 0.062 0.000 0.828 314 A N 3.695 126.488 122.820 -0.044 0.000 2.829 314 A HA -0.263 4.057 4.320 0.000 0.000 0.267 314 A C 0.916 178.471 177.584 -0.048 0.000 1.370 314 A CA 1.381 53.410 52.037 -0.013 0.000 0.900 314 A CB -2.622 16.392 19.000 0.023 0.000 1.044 314 A HN 0.555 nan 8.150 nan 0.000 0.691 315 D N -2.002 118.326 120.400 -0.120 0.000 3.079 315 D HA -0.177 4.463 4.640 0.000 0.000 0.214 315 D C -0.207 176.057 176.300 -0.060 0.000 1.145 315 D CA 2.052 55.989 54.000 -0.105 0.000 0.958 315 D CB -1.286 39.478 40.800 -0.060 0.000 1.117 315 D HN 0.939 nan 8.370 nan 0.000 0.416 316 D N 0.322 120.697 120.400 -0.042 0.000 2.393 316 D HA 0.197 4.837 4.640 0.000 0.000 0.232 316 D C 1.435 177.751 176.300 0.026 0.000 1.192 316 D CA -0.244 53.757 54.000 0.002 0.000 0.882 316 D CB 0.217 41.036 40.800 0.031 0.000 1.038 316 D HN 0.156 nan 8.370 nan 0.000 0.499 317 L N 2.651 123.896 121.223 0.036 0.000 2.456 317 L HA -0.075 4.265 4.340 0.000 0.000 0.224 317 L C 2.058 179.002 176.870 0.123 0.000 1.148 317 L CA 1.121 56.019 54.840 0.096 0.000 0.825 317 L CB -0.248 41.856 42.059 0.074 0.000 0.937 317 L HN 0.494 nan 8.230 nan 0.000 0.450 318 T N -5.053 109.546 114.554 0.076 0.000 3.107 318 T HA -0.029 4.321 4.350 0.000 0.000 0.249 318 T C 0.707 175.469 174.700 0.103 0.000 1.096 318 T CA -0.462 61.682 62.100 0.074 0.000 1.012 318 T CB -0.257 68.633 68.868 0.038 0.000 0.977 318 T HN 0.164 nan 8.240 nan 0.000 0.527 319 D N 2.728 123.202 120.400 0.125 0.000 2.455 319 D HA 0.040 4.680 4.640 0.000 0.000 0.241 319 D C -1.369 175.014 176.300 0.138 0.000 1.138 319 D CA -1.564 52.537 54.000 0.168 0.000 0.877 319 D CB 1.641 42.562 40.800 0.201 0.000 1.187 319 D HN 0.001 nan 8.370 nan 0.000 0.451 320 P HA -0.207 nan 4.420 nan 0.000 0.217 320 P C 0.899 178.121 177.300 -0.130 0.000 1.151 320 P CA 1.716 64.784 63.100 -0.053 0.000 0.849 320 P CB 0.064 31.674 31.700 -0.150 0.000 0.787 321 A N 0.417 123.133 122.820 -0.173 0.000 1.828 321 A HA -0.129 4.191 4.320 0.000 0.000 0.215 321 A C -0.013 177.658 177.584 0.144 0.000 1.203 321 A CA 2.424 54.456 52.037 -0.008 0.000 0.614 321 A CB -2.217 16.980 19.000 0.329 0.000 0.844 321 A HN 0.212 nan 8.150 nan 0.000 0.445 322 P HA -0.095 nan 4.420 nan 0.000 0.216 322 P C 1.652 179.135 177.300 0.307 0.000 1.153 322 P CA 2.008 65.265 63.100 0.261 0.000 0.848 322 P CB -0.270 31.609 31.700 0.299 0.000 0.787 323 A N 0.008 123.007 122.820 0.298 0.000 1.892 323 A HA -0.194 4.126 4.320 0.000 0.000 0.218 323 A C 2.226 180.001 177.584 0.319 0.000 1.188 323 A CA 2.719 54.965 52.037 0.348 0.000 0.631 323 A CB -2.084 17.027 19.000 0.186 0.000 0.822 323 A HN 0.229 nan 8.150 nan 0.000 0.447 324 T N -0.309 114.361 114.554 0.193 0.000 3.113 324 T HA -0.006 4.345 4.350 0.000 0.000 0.263 324 T C 1.579 176.410 174.700 0.218 0.000 1.143 324 T CA 1.468 63.665 62.100 0.162 0.000 1.090 324 T CB -0.264 68.665 68.868 0.101 0.000 0.922 324 T HN 0.598 nan 8.240 nan 0.000 0.521 325 T N 1.247 115.940 114.554 0.231 0.000 3.009 325 T HA 0.132 4.482 4.350 0.000 0.000 0.258 325 T C 1.469 176.316 174.700 0.244 0.000 1.063 325 T CA 0.257 62.486 62.100 0.215 0.000 1.139 325 T CB -0.338 68.552 68.868 0.037 0.000 0.890 325 T HN 0.278 nan 8.240 nan 0.000 0.471 326 F N 2.552 122.692 119.950 0.316 0.000 2.063 326 F HA -0.188 4.339 4.527 0.000 0.000 0.298 326 F C 2.774 178.632 175.800 0.096 0.000 1.105 326 F CA 1.243 59.370 58.000 0.212 0.000 1.215 326 F CB -1.059 37.962 39.000 0.035 0.000 0.972 326 F HN 0.152 nan 8.300 nan 0.000 0.483 327 A N -1.329 121.604 122.820 0.188 0.000 2.148 327 A HA -0.231 4.089 4.320 0.000 0.000 0.222 327 A C 1.628 179.135 177.584 -0.128 0.000 1.161 327 A CA 1.867 53.891 52.037 -0.022 0.000 0.662 327 A CB -1.001 17.910 19.000 -0.148 0.000 0.799 327 A HN 0.572 nan 8.150 nan 0.000 0.466 328 H N -1.543 117.575 119.070 0.080 0.000 2.529 328 H HA 0.376 4.932 4.556 0.000 0.000 0.277 328 H C -0.180 175.154 175.328 0.009 0.000 1.004 328 H CA 0.074 56.137 56.048 0.026 0.000 1.167 328 H CB 0.013 29.767 29.762 -0.012 0.000 1.445 328 H HN 0.366 nan 8.280 nan 0.000 0.554 329 L N 0.004 121.308 121.223 0.136 0.000 2.322 329 L HA 0.253 4.593 4.340 0.000 0.000 0.269 329 L C 0.847 177.759 176.870 0.071 0.000 1.012 329 L CA -0.607 54.285 54.840 0.085 0.000 0.815 329 L CB 1.748 43.876 42.059 0.115 0.000 1.295 329 L HN -0.136 nan 8.230 nan 0.000 0.438 330 D N 0.547 120.968 120.400 0.036 0.000 2.388 330 D HA 0.251 4.891 4.640 0.000 0.000 0.208 330 D C 0.105 176.443 176.300 0.062 0.000 1.035 330 D CA 0.518 54.541 54.000 0.038 0.000 0.875 330 D CB 1.182 41.991 40.800 0.014 0.000 0.984 330 D HN 0.509 nan 8.370 nan 0.000 0.508 331 A N 0.583 123.441 122.820 0.063 0.000 2.488 331 A HA 0.564 4.884 4.320 0.000 0.000 0.298 331 A C -0.622 177.044 177.584 0.135 0.000 1.044 331 A CA -0.625 51.484 52.037 0.119 0.000 0.693 331 A CB 1.488 20.599 19.000 0.185 0.000 1.272 331 A HN -0.038 nan 8.150 nan 0.000 0.402 332 T N -0.604 114.077 114.554 0.211 0.000 2.840 332 T HA 0.643 4.993 4.350 0.000 0.000 0.287 332 T C -0.507 174.366 174.700 0.289 0.000 0.991 332 T CA -0.473 61.799 62.100 0.286 0.000 0.964 332 T CB 1.178 70.270 68.868 0.373 0.000 0.954 332 T HN 0.489 nan 8.240 nan 0.000 0.438 333 T N 3.427 118.171 114.554 0.318 0.000 3.016 333 T HA 0.387 4.737 4.350 0.000 0.000 0.335 333 T C 0.260 175.130 174.700 0.283 0.000 1.176 333 T CA -0.516 61.754 62.100 0.284 0.000 0.987 333 T CB 0.232 69.287 68.868 0.312 0.000 1.073 333 T HN 0.636 nan 8.240 nan 0.000 0.547 334 V N 5.578 125.625 119.914 0.220 0.000 2.427 334 V HA 0.265 4.385 4.120 0.000 0.000 0.268 334 V C 0.422 176.595 176.094 0.133 0.000 1.046 334 V CA -0.553 61.860 62.300 0.189 0.000 0.970 334 V CB 0.379 32.256 31.823 0.090 0.000 1.001 334 V HN 0.727 nan 8.190 nan 0.000 0.476 335 L N 4.209 125.517 121.223 0.140 0.000 2.357 335 L HA 0.547 4.887 4.340 0.000 0.000 0.273 335 L C 0.396 177.297 176.870 0.051 0.000 1.080 335 L CA 0.123 55.019 54.840 0.094 0.000 0.803 335 L CB 1.668 43.794 42.059 0.112 0.000 1.174 335 L HN 0.663 nan 8.230 nan 0.000 0.443 336 S N 1.596 117.306 115.700 0.016 0.000 2.502 336 S HA 0.325 4.795 4.470 0.000 0.000 0.304 336 S C 0.660 175.244 174.600 -0.026 0.000 1.097 336 S CA -0.751 57.442 58.200 -0.011 0.000 1.045 336 S CB 1.778 64.962 63.200 -0.027 0.000 1.019 336 S HN 0.723 nan 8.310 nan 0.000 0.481 337 R N 3.455 123.943 120.500 -0.020 0.000 2.075 337 R HA -0.036 4.304 4.340 0.000 0.000 0.232 337 R C 2.150 178.428 176.300 -0.037 0.000 1.126 337 R CA 1.792 57.881 56.100 -0.018 0.000 0.963 337 R CB -0.739 29.555 30.300 -0.009 0.000 0.858 337 R HN 0.783 nan 8.270 nan 0.000 0.435 338 A N 1.418 124.214 122.820 -0.040 0.000 1.873 338 A HA -0.199 4.121 4.320 0.000 0.000 0.218 338 A C 2.171 179.715 177.584 -0.066 0.000 1.193 338 A CA 1.787 53.797 52.037 -0.046 0.000 0.629 338 A CB -0.652 18.320 19.000 -0.046 0.000 0.826 338 A HN 0.384 nan 8.150 nan 0.000 0.447 339 I N -0.385 120.137 120.570 -0.080 0.000 2.179 339 I HA -0.294 3.876 4.170 0.000 0.000 0.242 339 I C 3.024 179.021 176.117 -0.200 0.000 1.088 339 I CA 1.132 62.365 61.300 -0.111 0.000 1.357 339 I CB -0.570 37.368 38.000 -0.103 0.000 1.051 339 I HN 0.376 nan 8.210 nan 0.000 0.409 340 A N 0.728 123.399 122.820 -0.247 0.000 1.917 340 A HA -0.260 4.060 4.320 0.000 0.000 0.219 340 A C 2.185 179.615 177.584 -0.258 0.000 1.182 340 A CA 1.963 53.735 52.037 -0.441 0.000 0.633 340 A CB -0.731 18.154 19.000 -0.192 0.000 0.819 340 A HN 0.498 nan 8.150 nan 0.000 0.448 341 E N -0.319 119.820 120.200 -0.102 0.000 2.204 341 E HA -0.123 4.227 4.350 0.000 0.000 0.195 341 E C 1.639 178.217 176.600 -0.037 0.000 0.990 341 E CA 0.825 57.204 56.400 -0.035 0.000 0.821 341 E CB -0.279 29.412 29.700 -0.015 0.000 0.750 341 E HN 0.637 nan 8.360 nan 0.000 0.477 342 L N -0.422 120.761 121.223 -0.068 0.000 2.551 342 L HA -0.002 4.338 4.340 0.000 0.000 0.228 342 L C 1.546 178.400 176.870 -0.026 0.000 1.153 342 L CA 0.629 55.444 54.840 -0.041 0.000 0.851 342 L CB -0.149 41.890 42.059 -0.033 0.000 0.959 342 L HN 0.363 nan 8.230 nan 0.000 0.451 343 G N -0.081 108.683 108.800 -0.061 0.000 2.175 343 G HA2 -0.228 3.732 3.960 0.000 0.000 0.244 343 G HA3 -0.228 3.732 3.960 0.000 0.000 0.244 343 G C 0.297 175.222 174.900 0.042 0.000 0.982 343 G CA -0.416 44.718 45.100 0.057 0.000 0.641 343 G HN 0.134 nan 8.290 nan 0.000 0.527 344 I N 1.122 121.599 120.570 -0.155 0.000 2.452 344 I HA 0.424 4.594 4.170 0.000 0.000 0.287 344 I C -0.083 175.722 176.117 -0.520 0.000 1.079 344 I CA -0.316 60.887 61.300 -0.162 0.000 1.387 344 I CB -0.266 37.679 38.000 -0.092 0.000 1.404 344 I HN 0.068 nan 8.210 nan 0.000 0.522 345 Y N 6.960 127.176 120.300 -0.141 0.000 2.406 345 Y HA 0.407 4.957 4.550 0.000 0.000 0.340 345 Y C -2.187 173.469 175.900 -0.407 0.000 0.975 345 Y CA -2.612 55.343 58.100 -0.242 0.000 1.056 345 Y CB 1.994 40.297 38.460 -0.261 0.000 1.210 345 Y HN 0.418 nan 8.280 nan 0.000 0.448 346 P HA 0.136 nan 4.420 nan 0.000 0.275 346 P C -0.229 177.047 177.300 -0.040 0.000 1.228 346 P CA -0.294 62.788 63.100 -0.030 0.000 0.786 346 P CB 0.997 32.760 31.700 0.104 0.000 0.927 347 A N 3.113 125.913 122.820 -0.033 0.000 2.478 347 A HA 0.145 4.465 4.320 0.000 0.000 0.239 347 A C 0.503 178.073 177.584 -0.023 0.000 1.480 347 A CA -0.134 51.833 52.037 -0.117 0.000 1.308 347 A CB -1.347 17.561 19.000 -0.152 0.000 0.899 347 A HN 0.386 nan 8.150 nan 0.000 0.600 348 V N 1.229 121.148 119.914 0.009 0.000 2.572 348 V HA 0.017 4.137 4.120 0.000 0.000 0.291 348 V C 0.430 176.528 176.094 0.007 0.000 1.039 348 V CA -0.274 62.048 62.300 0.037 0.000 1.055 348 V CB 0.997 32.853 31.823 0.056 0.000 0.969 348 V HN 0.584 nan 8.190 nan 0.000 0.482 349 D N 7.942 128.349 120.400 0.013 0.000 2.352 349 D HA 0.197 4.837 4.640 0.000 0.000 0.245 349 D C -1.318 174.975 176.300 -0.012 0.000 1.224 349 D CA -2.145 51.850 54.000 -0.009 0.000 0.879 349 D CB 1.749 42.542 40.800 -0.013 0.000 1.057 349 D HN 0.256 nan 8.370 nan 0.000 0.491 350 P HA -0.054 nan 4.420 nan 0.000 0.226 350 P C 1.184 178.456 177.300 -0.047 0.000 1.153 350 P CA 0.618 63.694 63.100 -0.041 0.000 0.777 350 P CB 0.376 32.042 31.700 -0.056 0.000 0.794 351 L N -1.265 119.930 121.223 -0.045 0.000 2.640 351 L HA 0.211 4.551 4.340 0.000 0.000 0.230 351 L C 1.481 178.317 176.870 -0.056 0.000 1.123 351 L CA 0.431 55.239 54.840 -0.053 0.000 0.900 351 L CB -0.103 41.923 42.059 -0.055 0.000 1.146 351 L HN -0.124 nan 8.230 nan 0.000 0.484 352 D N -1.121 119.253 120.400 -0.044 0.000 2.498 352 D HA 0.076 4.716 4.640 0.000 0.000 0.223 352 D C 0.402 176.689 176.300 -0.022 0.000 1.125 352 D CA 0.245 54.213 54.000 -0.054 0.000 0.835 352 D CB 0.742 41.507 40.800 -0.059 0.000 1.086 352 D HN -0.070 nan 8.370 nan 0.000 0.510 353 S N -0.119 115.587 115.700 0.011 0.000 2.525 353 S HA 0.589 5.059 4.470 0.000 0.000 0.278 353 S C 0.232 174.860 174.600 0.046 0.000 1.234 353 S CA -0.483 57.753 58.200 0.060 0.000 1.058 353 S CB 1.642 64.891 63.200 0.081 0.000 0.983 353 S HN 0.332 nan 8.310 nan 0.000 0.495 354 T N -0.974 113.629 114.554 0.081 0.000 2.865 354 T HA 0.793 5.143 4.350 0.000 0.000 0.294 354 T C -0.810 173.947 174.700 0.095 0.000 1.119 354 T CA -0.832 61.304 62.100 0.060 0.000 1.007 354 T CB 1.866 70.753 68.868 0.031 0.000 1.225 354 T HN 0.461 nan 8.240 nan 0.000 0.515 355 S N -0.847 114.895 115.700 0.070 0.000 2.566 355 S HA 0.378 4.848 4.470 0.000 0.000 0.273 355 S C 0.663 175.296 174.600 0.055 0.000 1.157 355 S CA -0.806 57.443 58.200 0.082 0.000 0.938 355 S CB 1.523 64.779 63.200 0.093 0.000 1.087 355 S HN 0.799 nan 8.310 nan 0.000 0.474 356 R N 2.583 123.115 120.500 0.055 0.000 2.193 356 R HA -0.006 4.334 4.340 0.000 0.000 0.229 356 R C 1.336 177.656 176.300 0.032 0.000 1.110 356 R CA 1.098 57.222 56.100 0.039 0.000 0.988 356 R CB -0.226 30.095 30.300 0.034 0.000 0.871 356 R HN 0.573 nan 8.270 nan 0.000 0.458 357 I N 0.447 121.037 120.570 0.033 0.000 2.830 357 I HA -0.094 4.076 4.170 0.000 0.000 0.263 357 I C 0.981 177.098 176.117 -0.000 0.000 1.230 357 I CA 0.470 61.781 61.300 0.018 0.000 1.480 357 I CB -0.580 37.436 38.000 0.027 0.000 1.095 357 I HN 0.140 nan 8.210 nan 0.000 0.455 358 M N 2.091 121.697 119.600 0.010 0.000 3.102 358 M HA 0.050 4.530 4.480 0.000 0.000 0.269 358 M C -0.660 175.716 176.300 0.126 0.000 1.551 358 M CA 0.151 55.464 55.300 0.021 0.000 1.629 358 M CB -1.122 31.478 32.600 0.001 0.000 1.324 358 M HN 0.025 nan 8.290 nan 0.000 0.509 359 D N 4.426 124.880 120.400 0.091 0.000 2.970 359 D HA 0.412 5.052 4.640 0.000 0.000 0.230 359 D C -2.436 173.842 176.300 -0.038 0.000 1.276 359 D CA -1.688 52.328 54.000 0.028 0.000 0.910 359 D CB 2.099 42.891 40.800 -0.014 0.000 1.590 359 D HN 0.104 nan 8.370 nan 0.000 0.551 360 P HA -0.121 nan 4.420 nan 0.000 0.216 360 P C 0.270 177.513 177.300 -0.094 0.000 1.150 360 P CA 1.287 64.263 63.100 -0.207 0.000 0.843 360 P CB 0.005 31.439 31.700 -0.443 0.000 0.787 361 N N -1.234 117.406 118.700 -0.100 0.000 2.515 361 N HA 0.068 4.808 4.740 0.000 0.000 0.191 361 N C 1.312 176.806 175.510 -0.026 0.000 1.182 361 N CA 0.268 53.286 53.050 -0.054 0.000 0.879 361 N CB -0.224 38.230 38.487 -0.054 0.000 0.984 361 N HN 0.259 nan 8.380 nan 0.000 0.453 362 I N -1.337 119.222 120.570 -0.019 0.000 4.228 362 I HA -0.009 4.161 4.170 0.000 0.000 0.298 362 I C 1.524 177.648 176.117 0.012 0.000 1.206 362 I CA 0.198 61.497 61.300 -0.003 0.000 1.322 362 I CB 0.343 38.340 38.000 -0.005 0.000 1.411 362 I HN 0.029 nan 8.210 nan 0.000 0.454 363 V N -0.955 118.958 119.914 -0.002 0.000 3.660 363 V HA 0.626 4.746 4.120 0.000 0.000 0.276 363 V C 0.807 176.969 176.094 0.113 0.000 1.317 363 V CA 0.353 62.663 62.300 0.018 0.000 1.097 363 V CB -0.580 31.087 31.823 -0.260 0.000 0.863 363 V HN 0.479 nan 8.190 nan 0.000 0.438 364 G N 0.958 109.804 108.800 0.078 0.000 2.690 364 G HA2 -0.115 3.845 3.960 0.000 0.000 0.686 364 G HA3 -0.115 3.845 3.960 0.000 0.000 0.686 364 G C 0.350 175.327 174.900 0.128 0.000 1.277 364 G CA 0.174 45.329 45.100 0.092 0.000 0.799 364 G HN 1.298 nan 8.290 nan 0.000 0.613 365 S N -0.591 115.168 115.700 0.099 0.000 2.453 365 S HA 0.002 4.472 4.470 0.000 0.000 0.231 365 S C 1.673 176.381 174.600 0.181 0.000 1.005 365 S CA 1.570 59.850 58.200 0.133 0.000 0.949 365 S CB 0.121 63.361 63.200 0.066 0.000 0.774 365 S HN 0.843 nan 8.310 nan 0.000 0.510 366 E N 1.199 121.491 120.200 0.153 0.000 2.047 366 E HA -0.239 4.111 4.350 0.000 0.000 0.191 366 E C 2.018 178.733 176.600 0.192 0.000 0.987 366 E CA 1.135 57.620 56.400 0.142 0.000 0.799 366 E CB -0.299 29.464 29.700 0.104 0.000 0.752 366 E HN 0.838 nan 8.360 nan 0.000 0.449 367 H N -1.439 117.689 119.070 0.097 0.000 2.321 367 H HA -0.201 4.355 4.556 -0.000 0.000 0.300 367 H C 2.079 177.459 175.328 0.086 0.000 1.087 367 H CA 1.571 57.670 56.048 0.084 0.000 1.319 367 H CB -0.071 29.740 29.762 0.082 0.000 1.379 367 H HN 0.254 nan 8.280 nan 0.000 0.501 368 Y N 1.337 121.716 120.300 0.131 0.000 2.274 368 Y HA -0.204 4.346 4.550 -0.000 0.000 0.290 368 Y C 1.617 177.547 175.900 0.050 0.000 1.145 368 Y CA 1.733 59.851 58.100 0.030 0.000 1.203 368 Y CB -0.009 38.448 38.460 -0.005 0.000 0.984 368 Y HN 0.352 nan 8.280 nan 0.000 0.533 369 D N -0.986 119.520 120.400 0.177 0.000 2.183 369 D HA -0.113 4.527 4.640 0.000 0.000 0.205 369 D C 2.362 178.674 176.300 0.020 0.000 0.962 369 D CA 1.257 55.313 54.000 0.095 0.000 0.849 369 D CB -0.326 40.559 40.800 0.141 0.000 0.978 369 D HN 0.296 nan 8.370 nan 0.000 0.488 370 V N 1.746 121.694 119.914 0.056 0.000 2.307 370 V HA -0.205 3.915 4.120 0.000 0.000 0.245 370 V C 2.591 178.672 176.094 -0.023 0.000 1.045 370 V CA 1.731 64.060 62.300 0.048 0.000 1.024 370 V CB -0.902 30.976 31.823 0.093 0.000 0.651 370 V HN 0.152 nan 8.190 nan 0.000 0.449 371 A N 0.471 123.270 122.820 -0.034 0.000 1.859 371 A HA -0.260 4.060 4.320 0.000 0.000 0.217 371 A C 2.298 179.775 177.584 -0.180 0.000 1.198 371 A CA 2.030 54.000 52.037 -0.113 0.000 0.629 371 A CB -0.585 18.353 19.000 -0.102 0.000 0.830 371 A HN 0.414 nan 8.150 nan 0.000 0.446 372 R N -0.448 119.892 120.500 -0.267 0.000 2.193 372 R HA -0.088 4.252 4.340 0.000 0.000 0.229 372 R C 2.230 178.457 176.300 -0.122 0.000 1.110 372 R CA 1.090 57.045 56.100 -0.241 0.000 0.988 372 R CB -1.400 28.705 30.300 -0.325 0.000 0.871 372 R HN 0.588 nan 8.270 nan 0.000 0.458 373 G N 0.301 109.050 108.800 -0.084 0.000 2.404 373 G HA2 -0.171 3.789 3.960 0.000 0.000 0.215 373 G HA3 -0.171 3.789 3.960 0.000 0.000 0.215 373 G C 1.552 176.435 174.900 -0.030 0.000 1.174 373 G CA 0.535 45.615 45.100 -0.033 0.000 0.780 373 G HN 0.151 nan 8.290 nan 0.000 0.537 374 V N 0.791 120.673 119.914 -0.054 0.000 2.295 374 V HA -0.244 3.876 4.120 0.000 0.000 0.246 374 V C 2.938 178.996 176.094 -0.061 0.000 1.049 374 V CA 2.271 64.532 62.300 -0.065 0.000 1.024 374 V CB -0.640 31.072 31.823 -0.186 0.000 0.648 374 V HN 0.446 nan 8.190 nan 0.000 0.447 375 Q N -0.073 119.676 119.800 -0.085 0.000 2.084 375 Q HA -0.261 4.079 4.340 0.000 0.000 0.202 375 Q C 2.358 178.335 176.000 -0.039 0.000 0.978 375 Q CA 1.767 57.528 55.803 -0.069 0.000 0.844 375 Q CB -0.302 28.382 28.738 -0.090 0.000 0.898 375 Q HN 0.572 nan 8.270 nan 0.000 0.426 376 K N 0.937 121.315 120.400 -0.036 0.000 2.148 376 K HA -0.122 4.198 4.320 0.000 0.000 0.204 376 K C 1.921 178.524 176.600 0.006 0.000 1.050 376 K CA 0.804 57.081 56.287 -0.016 0.000 0.942 376 K CB -0.014 32.476 32.500 -0.016 0.000 0.724 376 K HN 0.236 nan 8.250 nan 0.000 0.446 377 I N 0.813 121.390 120.570 0.012 0.000 2.406 377 I HA -0.202 3.968 4.170 0.000 0.000 0.249 377 I C 1.722 177.884 176.117 0.075 0.000 1.122 377 I CA 0.727 62.047 61.300 0.034 0.000 1.431 377 I CB 0.153 38.168 38.000 0.024 0.000 1.087 377 I HN 0.177 nan 8.210 nan 0.000 0.424 378 L N 0.204 121.465 121.223 0.064 0.000 2.156 378 L HA -0.191 4.149 4.340 0.000 0.000 0.208 378 L C 2.512 179.417 176.870 0.057 0.000 1.095 378 L CA 0.830 55.728 54.840 0.096 0.000 0.770 378 L CB -0.623 41.465 42.059 0.048 0.000 0.914 378 L HN 0.293 nan 8.230 nan 0.000 0.439 379 Q N 0.480 120.293 119.800 0.021 0.000 2.079 379 Q HA -0.192 4.148 4.340 0.000 0.000 0.200 379 Q C 1.745 177.755 176.000 0.017 0.000 0.974 379 Q CA 1.716 57.518 55.803 -0.002 0.000 0.840 379 Q CB -0.083 28.647 28.738 -0.014 0.000 0.898 379 Q HN 0.356 nan 8.270 nan 0.000 0.430 380 D N -0.797 119.630 120.400 0.045 0.000 2.123 380 D HA -0.181 4.459 4.640 0.000 0.000 0.196 380 D C 1.601 177.972 176.300 0.120 0.000 0.992 380 D CA 1.213 55.250 54.000 0.061 0.000 0.833 380 D CB -0.480 40.352 40.800 0.053 0.000 0.954 380 D HN 0.336 nan 8.370 nan 0.000 0.455 381 Y N 1.885 122.177 120.300 -0.014 0.000 2.224 381 Y HA -0.167 4.383 4.550 -0.000 0.000 0.289 381 Y C 2.177 178.069 175.900 -0.013 0.000 1.146 381 Y CA 1.355 59.448 58.100 -0.011 0.000 1.182 381 Y CB -0.387 38.067 38.460 -0.011 0.000 0.983 381 Y HN -0.162 nan 8.280 nan 0.000 0.524 382 K N 0.040 120.376 120.400 -0.107 0.000 2.063 382 K HA -0.171 4.149 4.320 0.000 0.000 0.208 382 K C 2.232 178.764 176.600 -0.113 0.000 1.048 382 K CA 2.032 58.194 56.287 -0.208 0.000 0.928 382 K CB -0.221 32.196 32.500 -0.138 0.000 0.713 382 K HN 0.466 nan 8.250 nan 0.000 0.442 383 S N 0.719 116.396 115.700 -0.038 0.000 2.402 383 S HA -0.104 4.366 4.470 0.000 0.000 0.229 383 S C 1.932 176.532 174.600 -0.001 0.000 1.021 383 S CA 0.909 59.097 58.200 -0.020 0.000 0.974 383 S CB -0.435 62.760 63.200 -0.008 0.000 0.800 383 S HN 0.246 nan 8.310 nan 0.000 0.484 384 L N 1.026 122.272 121.223 0.039 0.000 2.201 384 L HA -0.091 4.249 4.340 0.000 0.000 0.212 384 L C 2.935 179.834 176.870 0.048 0.000 1.105 384 L CA 1.005 55.886 54.840 0.068 0.000 0.775 384 L CB -0.661 41.482 42.059 0.140 0.000 0.913 384 L HN 0.351 nan 8.230 nan 0.000 0.440 385 Q N 0.100 119.896 119.800 -0.008 0.000 2.173 385 Q HA -0.306 4.034 4.340 0.000 0.000 0.208 385 Q C 1.737 177.722 176.000 -0.024 0.000 0.989 385 Q CA 2.269 58.042 55.803 -0.049 0.000 0.872 385 Q CB -0.128 28.493 28.738 -0.195 0.000 0.909 385 Q HN 0.441 nan 8.270 nan 0.000 0.420 386 D N -0.300 120.085 120.400 -0.025 0.000 2.104 386 D HA -0.167 4.473 4.640 0.000 0.000 0.194 386 D C 1.565 177.864 176.300 -0.003 0.000 0.994 386 D CA 1.305 55.294 54.000 -0.017 0.000 0.830 386 D CB 0.016 40.805 40.800 -0.018 0.000 0.959 386 D HN 0.233 nan 8.370 nan 0.000 0.452 387 I N 0.368 120.942 120.570 0.007 0.000 2.202 387 I HA -0.200 3.970 4.170 0.000 0.000 0.242 387 I C 1.955 178.084 176.117 0.021 0.000 1.091 387 I CA 0.451 61.759 61.300 0.014 0.000 1.368 387 I CB -0.348 37.663 38.000 0.018 0.000 1.058 387 I HN 0.061 nan 8.210 nan 0.000 0.410 388 I N 1.706 122.297 120.570 0.034 0.000 2.315 388 I HA -0.297 3.873 4.170 0.000 0.000 0.251 388 I C 2.817 178.953 176.117 0.031 0.000 1.125 388 I CA 1.671 62.998 61.300 0.046 0.000 1.392 388 I CB -1.888 36.163 38.000 0.085 0.000 1.065 388 I HN 0.228 nan 8.210 nan 0.000 0.424 389 A N 0.852 123.683 122.820 0.018 0.000 1.933 389 A HA -0.126 4.194 4.320 0.000 0.000 0.218 389 A C 2.200 179.789 177.584 0.008 0.000 1.175 389 A CA 1.382 53.424 52.037 0.009 0.000 0.628 389 A CB -0.289 18.709 19.000 -0.004 0.000 0.814 389 A HN 0.309 nan 8.150 nan 0.000 0.444 390 I N -1.187 119.388 120.570 0.008 0.000 2.729 390 I HA 0.083 4.253 4.170 0.000 0.000 0.256 390 I C 1.771 177.893 176.117 0.009 0.000 1.115 390 I CA 0.830 62.134 61.300 0.007 0.000 1.446 390 I CB -1.078 36.925 38.000 0.004 0.000 1.176 390 I HN 0.212 nan 8.210 nan 0.000 0.446 391 L N 0.308 121.538 121.223 0.011 0.000 2.640 391 L HA 0.392 4.732 4.340 0.000 0.000 0.230 391 L C 1.162 178.041 176.870 0.016 0.000 1.123 391 L CA 0.137 54.985 54.840 0.012 0.000 0.900 391 L CB -0.499 41.567 42.059 0.011 0.000 1.146 391 L HN 0.373 nan 8.230 nan 0.000 0.484 392 G N 0.830 109.642 108.800 0.020 0.000 2.682 392 G HA2 -0.377 3.583 3.960 0.000 0.000 0.256 392 G HA3 -0.377 3.583 3.960 0.000 0.000 0.256 392 G C 0.432 175.347 174.900 0.026 0.000 1.333 392 G CA 0.368 45.483 45.100 0.025 0.000 0.904 392 G HN 0.126 nan 8.290 nan 0.000 0.569 393 M N -0.048 119.566 119.600 0.024 0.000 2.288 393 M HA 0.027 4.507 4.480 0.000 0.000 0.266 393 M C 2.226 178.534 176.300 0.014 0.000 1.072 393 M CA 1.696 57.007 55.300 0.020 0.000 1.132 393 M CB -0.346 32.263 32.600 0.014 0.000 1.386 393 M HN 0.617 nan 8.290 nan 0.000 0.432 394 D N 0.699 121.106 120.400 0.012 0.000 2.268 394 D HA -0.249 4.391 4.640 0.000 0.000 0.189 394 D C 1.446 177.751 176.300 0.009 0.000 1.010 394 D CA 1.716 55.722 54.000 0.009 0.000 0.862 394 D CB -0.443 40.362 40.800 0.009 0.000 0.943 394 D HN 0.332 nan 8.370 nan 0.000 0.451 395 E N -0.118 120.088 120.200 0.010 0.000 2.526 395 E HA 0.106 4.456 4.350 0.000 0.000 0.198 395 E C 0.293 176.900 176.600 0.011 0.000 1.091 395 E CA -0.098 56.308 56.400 0.010 0.000 0.880 395 E CB -0.035 29.671 29.700 0.010 0.000 0.873 395 E HN 0.294 nan 8.360 nan 0.000 0.527 396 L N 0.522 121.752 121.223 0.011 0.000 2.395 396 L HA 0.154 4.494 4.340 0.000 0.000 0.269 396 L C 0.735 177.609 176.870 0.007 0.000 1.133 396 L CA -0.427 54.420 54.840 0.012 0.000 0.812 396 L CB 1.153 43.220 42.059 0.013 0.000 1.125 396 L HN 0.052 nan 8.230 nan 0.000 0.452 397 S N 1.162 116.867 115.700 0.007 0.000 2.579 397 S HA -0.027 4.443 4.470 0.000 0.000 0.275 397 S C 0.940 175.540 174.600 0.002 0.000 1.345 397 S CA -0.351 57.852 58.200 0.005 0.000 1.031 397 S CB 1.189 64.393 63.200 0.005 0.000 0.892 397 S HN 0.657 nan 8.310 nan 0.000 0.529 398 E N 1.787 121.987 120.200 0.001 0.000 2.160 398 E HA -0.141 4.209 4.350 0.000 0.000 0.195 398 E C 1.825 178.422 176.600 -0.003 0.000 0.991 398 E CA 1.870 58.270 56.400 -0.001 0.000 0.810 398 E CB -0.135 29.565 29.700 0.000 0.000 0.742 398 E HN 0.852 nan 8.360 nan 0.000 0.466 399 E N -0.290 119.909 120.200 -0.002 0.000 2.046 399 E HA -0.173 4.177 4.350 0.000 0.000 0.190 399 E C 1.378 177.975 176.600 -0.005 0.000 0.982 399 E CA 1.195 57.594 56.400 -0.003 0.000 0.800 399 E CB 0.027 29.727 29.700 0.001 0.000 0.756 399 E HN 0.196 nan 8.360 nan 0.000 0.449 400 D N 0.604 121.003 120.400 -0.001 0.000 2.117 400 D HA -0.145 4.495 4.640 0.000 0.000 0.197 400 D C 1.739 178.029 176.300 -0.016 0.000 0.987 400 D CA 1.074 55.074 54.000 0.000 0.000 0.829 400 D CB -0.049 40.759 40.800 0.012 0.000 0.961 400 D HN 0.127 nan 8.370 nan 0.000 0.460 401 K N 0.006 120.396 120.400 -0.017 0.000 2.211 401 K HA -0.131 4.189 4.320 0.000 0.000 0.204 401 K C 1.944 178.514 176.600 -0.051 0.000 1.047 401 K CA 0.349 56.617 56.287 -0.032 0.000 0.935 401 K CB -0.052 32.437 32.500 -0.019 0.000 0.728 401 K HN 0.070 nan 8.250 nan 0.000 0.452 402 L N 0.950 122.150 121.223 -0.038 0.000 2.179 402 L HA -0.115 4.225 4.340 0.000 0.000 0.208 402 L C 2.420 179.253 176.870 -0.063 0.000 1.096 402 L CA 1.778 56.593 54.840 -0.041 0.000 0.779 402 L CB -0.625 41.421 42.059 -0.022 0.000 0.922 402 L HN 0.263 nan 8.230 nan 0.000 0.443 403 T N -3.888 110.630 114.554 -0.060 0.000 2.812 403 T HA -0.117 4.233 4.350 0.000 0.000 0.264 403 T C 1.838 176.439 174.700 -0.165 0.000 1.042 403 T CA 1.466 63.524 62.100 -0.070 0.000 1.140 403 T CB -0.879 67.975 68.868 -0.024 0.000 0.870 403 T HN 0.100 nan 8.240 nan 0.000 0.445 404 V N 2.037 121.822 119.914 -0.216 0.000 2.332 404 V HA -0.172 3.948 4.120 0.000 0.000 0.248 404 V C 3.122 178.973 176.094 -0.405 0.000 1.055 404 V CA 2.170 64.192 62.300 -0.463 0.000 1.038 404 V CB -1.127 30.498 31.823 -0.329 0.000 0.651 404 V HN 0.550 nan 8.190 nan 0.000 0.450 405 S N -0.360 115.211 115.700 -0.215 0.000 2.348 405 S HA -0.216 4.254 4.470 0.000 0.000 0.221 405 S C 2.118 176.616 174.600 -0.168 0.000 1.033 405 S CA 1.686 59.792 58.200 -0.156 0.000 1.010 405 S CB -0.355 62.796 63.200 -0.083 0.000 0.891 405 S HN 0.511 nan 8.310 nan 0.000 0.442 406 R N 1.166 121.577 120.500 -0.147 0.000 2.083 406 R HA -0.058 4.282 4.340 0.000 0.000 0.237 406 R C 2.620 178.837 176.300 -0.138 0.000 1.137 406 R CA 1.349 57.367 56.100 -0.137 0.000 0.951 406 R CB -0.598 29.652 30.300 -0.083 0.000 0.851 406 R HN 0.423 nan 8.270 nan 0.000 0.434 407 A N 1.187 123.913 122.820 -0.157 0.000 1.883 407 A HA -0.196 4.124 4.320 0.000 0.000 0.217 407 A C 2.033 179.576 177.584 -0.068 0.000 1.186 407 A CA 1.455 53.438 52.037 -0.091 0.000 0.624 407 A CB -0.428 18.517 19.000 -0.092 0.000 0.822 407 A HN 0.254 nan 8.150 nan 0.000 0.444 408 R N -0.427 119.957 120.500 -0.194 0.000 2.189 408 R HA -0.057 4.283 4.340 0.000 0.000 0.223 408 R C 1.872 178.149 176.300 -0.039 0.000 1.092 408 R CA 1.359 57.416 56.100 -0.072 0.000 0.989 408 R CB -0.155 30.079 30.300 -0.111 0.000 0.876 408 R HN 0.521 nan 8.270 nan 0.000 0.457 409 K N 0.076 120.385 120.400 -0.151 0.000 2.211 409 K HA 0.076 4.396 4.320 0.000 0.000 0.201 409 K C 1.896 178.328 176.600 -0.280 0.000 1.052 409 K CA 0.623 56.691 56.287 -0.364 0.000 0.973 409 K CB 0.207 32.231 32.500 -0.794 0.000 0.766 409 K HN 0.096 nan 8.250 nan 0.000 0.466 410 I N 1.275 121.802 120.570 -0.073 0.000 2.286 410 I HA -0.234 3.936 4.170 0.000 0.000 0.245 410 I C 2.646 178.927 176.117 0.274 0.000 1.104 410 I CA 1.053 62.481 61.300 0.213 0.000 1.397 410 I CB -0.012 38.126 38.000 0.229 0.000 1.072 410 I HN 0.213 nan 8.210 nan 0.000 0.417 411 Q N 0.690 120.582 119.800 0.155 0.000 2.030 411 Q HA -0.261 4.079 4.340 0.000 0.000 0.204 411 Q C 2.378 178.475 176.000 0.163 0.000 0.986 411 Q CA 1.901 57.792 55.803 0.147 0.000 0.843 411 Q CB 0.036 28.863 28.738 0.149 0.000 0.904 411 Q HN 0.385 nan 8.270 nan 0.000 0.420 412 R N -0.740 119.870 120.500 0.183 0.000 2.075 412 R HA -0.121 4.219 4.340 0.000 0.000 0.232 412 R C 2.033 178.480 176.300 0.245 0.000 1.126 412 R CA 1.290 57.537 56.100 0.246 0.000 0.963 412 R CB -0.365 30.127 30.300 0.320 0.000 0.858 412 R HN 0.220 nan 8.270 nan 0.000 0.435 413 F N 1.180 121.184 119.950 0.090 0.000 2.408 413 F HA -0.072 4.455 4.527 0.000 0.000 0.300 413 F C 1.463 177.363 175.800 0.167 0.000 1.090 413 F CA 1.040 59.062 58.000 0.037 0.000 1.427 413 F CB 0.020 38.879 39.000 -0.235 0.000 1.070 413 F HN -0.043 nan 8.300 nan 0.000 0.549 414 L N -0.595 120.744 121.223 0.194 0.000 2.240 414 L HA -0.050 4.290 4.340 0.000 0.000 0.211 414 L C 1.627 178.459 176.870 -0.063 0.000 1.106 414 L CA 0.445 55.352 54.840 0.111 0.000 0.793 414 L CB -0.799 41.316 42.059 0.093 0.000 0.927 414 L HN 0.114 nan 8.230 nan 0.000 0.446 415 S N -0.015 115.624 115.700 -0.101 0.000 2.608 415 S HA 0.318 4.788 4.470 0.000 0.000 0.261 415 S C -0.261 174.180 174.600 -0.264 0.000 1.314 415 S CA -0.500 57.580 58.200 -0.200 0.000 0.992 415 S CB 1.567 64.595 63.200 -0.286 0.000 0.935 415 S HN 0.317 nan 8.310 nan 0.000 0.564 416 Q N -0.222 119.395 119.800 -0.306 0.000 2.646 416 Q HA 0.323 4.663 4.340 0.000 0.000 0.260 416 Q C -3.370 172.453 176.000 -0.295 0.000 0.975 416 Q CA -1.531 54.117 55.803 -0.258 0.000 0.936 416 Q CB 1.886 30.543 28.738 -0.136 0.000 1.591 416 Q HN 0.533 nan 8.270 nan 0.000 0.412 417 P HA 0.321 nan 4.420 nan 0.000 0.286 417 P C -1.085 176.298 177.300 0.137 0.000 1.269 417 P CA -0.163 62.882 63.100 -0.092 0.000 0.787 417 P CB 0.258 31.938 31.700 -0.033 0.000 0.920 418 F N 1.559 121.516 119.950 0.011 0.000 2.397 418 F HA 0.290 4.817 4.527 0.000 0.000 0.331 418 F C 2.133 177.952 175.800 0.032 0.000 1.090 418 F CA -1.071 56.942 58.000 0.022 0.000 1.065 418 F CB 1.018 40.036 39.000 0.031 0.000 1.184 418 F HN 0.433 nan 8.300 nan 0.000 0.499 419 Q N 1.376 121.294 119.800 0.197 0.000 2.084 419 Q HA -0.103 4.237 4.340 0.000 0.000 0.202 419 Q C 1.396 177.465 176.000 0.116 0.000 0.978 419 Q CA 1.932 57.802 55.803 0.113 0.000 0.844 419 Q CB -0.008 28.762 28.738 0.053 0.000 0.898 419 Q HN 0.542 nan 8.270 nan 0.000 0.426 420 V N 0.863 120.852 119.914 0.126 0.000 2.568 420 V HA -0.194 3.926 4.120 0.000 0.000 0.253 420 V C 1.832 178.044 176.094 0.196 0.000 1.072 420 V CA 1.672 64.048 62.300 0.126 0.000 1.084 420 V CB -0.522 31.356 31.823 0.092 0.000 0.676 420 V HN 0.502 nan 8.190 nan 0.000 0.469 421 A N -1.210 121.763 122.820 0.255 0.000 2.500 421 A HA 0.211 4.531 4.320 0.000 0.000 0.267 421 A C 1.698 179.414 177.584 0.219 0.000 1.290 421 A CA -0.103 52.102 52.037 0.280 0.000 0.928 421 A CB -0.190 18.925 19.000 0.193 0.000 1.066 421 A HN 0.518 nan 8.150 nan 0.000 0.516 422 E N -0.023 120.261 120.200 0.139 0.000 2.097 422 E HA -0.192 4.158 4.350 0.000 0.000 0.196 422 E C 1.631 178.244 176.600 0.022 0.000 1.000 422 E CA 1.688 58.140 56.400 0.087 0.000 0.804 422 E CB -0.312 29.423 29.700 0.058 0.000 0.740 422 E HN 0.465 nan 8.360 nan 0.000 0.454 423 V N 0.292 120.155 119.914 -0.086 0.000 2.688 423 V HA -0.234 3.886 4.120 0.000 0.000 0.256 423 V C 1.559 177.415 176.094 -0.396 0.000 1.084 423 V CA 1.622 63.740 62.300 -0.304 0.000 1.103 423 V CB -0.634 30.851 31.823 -0.562 0.000 0.688 423 V HN 0.196 nan 8.190 nan 0.000 0.480 424 F N 0.293 120.243 119.950 -0.001 0.000 2.553 424 F HA 0.041 4.568 4.527 0.000 0.000 0.282 424 F C 2.653 178.469 175.800 0.026 0.000 1.089 424 F CA 0.974 58.967 58.000 -0.012 0.000 1.411 424 F CB -0.887 38.067 39.000 -0.077 0.000 1.125 424 F HN 0.149 nan 8.300 nan 0.000 0.610 425 T N -2.425 112.271 114.554 0.237 0.000 2.904 425 T HA 0.198 4.548 4.350 0.000 0.000 0.267 425 T C 1.901 176.819 174.700 0.364 0.000 1.059 425 T CA 0.974 63.235 62.100 0.268 0.000 1.137 425 T CB -0.547 68.440 68.868 0.199 0.000 0.879 425 T HN 0.512 nan 8.240 nan 0.000 0.467 426 G N 1.060 109.972 108.800 0.186 0.000 2.147 426 G HA2 -0.180 3.780 3.960 0.000 0.000 0.244 426 G HA3 -0.180 3.780 3.960 0.000 0.000 0.244 426 G C -0.203 174.644 174.900 -0.088 0.000 1.005 426 G CA 0.310 45.427 45.100 0.027 0.000 0.713 426 G HN 0.864 nan 8.290 nan 0.000 0.515 427 H N -1.865 117.224 119.070 0.032 0.000 2.865 427 H HA 0.673 5.229 4.556 0.000 0.000 0.372 427 H C -0.104 175.239 175.328 0.025 0.000 1.173 427 H CA -0.986 55.077 56.048 0.026 0.000 1.147 427 H CB 1.411 31.187 29.762 0.024 0.000 1.805 427 H HN 0.203 nan 8.280 nan 0.000 0.553 428 L N 1.685 123.000 121.223 0.153 0.000 2.360 428 L HA 0.340 4.680 4.340 0.000 0.000 0.276 428 L C 0.931 177.861 176.870 0.099 0.000 1.121 428 L CA 0.211 55.108 54.840 0.095 0.000 0.845 428 L CB 0.209 42.307 42.059 0.065 0.000 1.143 428 L HN 0.882 nan 8.230 nan 0.000 0.452 429 G N 4.332 113.189 108.800 0.095 0.000 2.474 429 G HA2 0.130 4.090 3.960 0.000 0.000 0.233 429 G HA3 0.130 4.090 3.960 0.000 0.000 0.233 429 G C -0.475 174.475 174.900 0.083 0.000 1.278 429 G CA -0.386 44.778 45.100 0.108 0.000 0.861 429 G HN 0.499 nan 8.290 nan 0.000 0.567 430 K N 0.352 120.807 120.400 0.092 0.000 2.422 430 K HA 0.460 4.780 4.320 0.000 0.000 0.251 430 K C -1.391 175.250 176.600 0.068 0.000 0.933 430 K CA -1.029 55.296 56.287 0.063 0.000 0.798 430 K CB 2.543 35.066 32.500 0.039 0.000 1.238 430 K HN 0.286 nan 8.250 nan 0.000 0.428 431 L N 2.665 123.913 121.223 0.043 0.000 2.401 431 L HA 0.306 4.646 4.340 0.000 0.000 0.263 431 L C -1.245 175.640 176.870 0.025 0.000 1.004 431 L CA -0.688 54.170 54.840 0.031 0.000 0.881 431 L CB 1.459 43.530 42.059 0.020 0.000 1.219 431 L HN 0.292 nan 8.230 nan 0.000 0.441 432 V N 6.631 126.557 119.914 0.021 0.000 2.461 432 V HA 0.419 4.540 4.120 0.000 0.000 0.275 432 V C -1.907 174.199 176.094 0.020 0.000 1.047 432 V CA -1.375 60.937 62.300 0.020 0.000 0.955 432 V CB 0.965 32.793 31.823 0.009 0.000 0.988 432 V HN 0.617 nan 8.190 nan 0.000 0.471 433 P HA 0.138 nan 4.420 nan 0.000 0.276 433 P C 0.738 178.050 177.300 0.020 0.000 1.230 433 P CA -0.445 62.668 63.100 0.023 0.000 0.776 433 P CB 0.959 32.675 31.700 0.026 0.000 0.888 434 L N 5.015 126.243 121.223 0.007 0.000 2.058 434 L HA -0.288 4.052 4.340 0.000 0.000 0.226 434 L C 2.200 179.052 176.870 -0.030 0.000 1.089 434 L CA 2.435 57.262 54.840 -0.021 0.000 0.799 434 L CB -1.210 40.839 42.059 -0.016 0.000 0.900 434 L HN 0.473 nan 8.230 nan 0.000 0.442 435 K N -1.911 118.487 120.400 -0.003 0.000 2.209 435 K HA -0.155 4.165 4.320 0.000 0.000 0.204 435 K C 1.691 178.313 176.600 0.036 0.000 1.048 435 K CA 1.426 57.719 56.287 0.010 0.000 0.940 435 K CB -0.432 32.081 32.500 0.022 0.000 0.729 435 K HN 0.346 nan 8.250 nan 0.000 0.451 436 E N 1.006 121.235 120.200 0.047 0.000 2.106 436 E HA -0.091 4.259 4.350 0.000 0.000 0.192 436 E C 2.009 178.683 176.600 0.124 0.000 0.984 436 E CA 1.511 57.958 56.400 0.077 0.000 0.806 436 E CB -0.369 29.373 29.700 0.070 0.000 0.750 436 E HN 0.425 nan 8.360 nan 0.000 0.458 437 T N 2.212 116.837 114.554 0.118 0.000 2.770 437 T HA -0.041 4.309 4.350 0.000 0.000 0.263 437 T C 2.026 176.890 174.700 0.274 0.000 1.039 437 T CA 0.695 62.922 62.100 0.213 0.000 1.142 437 T CB -0.061 68.886 68.868 0.133 0.000 0.868 437 T HN 0.059 nan 8.240 nan 0.000 0.435 438 I N 1.609 122.237 120.570 0.096 0.000 2.163 438 I HA -0.186 3.984 4.170 0.000 0.000 0.243 438 I C 2.442 178.650 176.117 0.152 0.000 1.085 438 I CA 1.578 62.921 61.300 0.072 0.000 1.347 438 I CB -1.030 36.949 38.000 -0.035 0.000 1.044 438 I HN 0.290 nan 8.210 nan 0.000 0.408 439 K N 1.296 121.769 120.400 0.120 0.000 1.965 439 K HA -0.160 4.160 4.320 0.000 0.000 0.214 439 K C 2.235 178.903 176.600 0.114 0.000 1.046 439 K CA 1.909 58.260 56.287 0.106 0.000 0.944 439 K CB -0.600 31.950 32.500 0.082 0.000 0.726 439 K HN 0.315 nan 8.250 nan 0.000 0.441 440 G N 0.209 109.072 108.800 0.105 0.000 2.507 440 G HA2 -0.255 3.705 3.960 0.000 0.000 0.221 440 G HA3 -0.255 3.705 3.960 0.000 0.000 0.221 440 G C 1.262 176.069 174.900 -0.156 0.000 1.119 440 G CA 0.971 46.042 45.100 -0.048 0.000 0.751 440 G HN 0.289 nan 8.290 nan 0.000 0.574 441 F N 0.497 120.552 119.950 0.174 0.000 2.234 441 F HA 0.091 4.618 4.527 -0.000 0.000 0.296 441 F C 2.993 178.833 175.800 0.066 0.000 1.089 441 F CA 1.085 59.166 58.000 0.134 0.000 1.343 441 F CB -0.307 38.779 39.000 0.144 0.000 1.040 441 F HN 0.157 nan 8.300 nan 0.000 0.498 442 Q N 0.136 120.064 119.800 0.213 0.000 1.975 442 Q HA -0.285 4.055 4.340 0.000 0.000 0.205 442 Q C 2.196 178.246 176.000 0.084 0.000 0.990 442 Q CA 2.138 58.018 55.803 0.129 0.000 0.845 442 Q CB -0.482 28.313 28.738 0.095 0.000 0.913 442 Q HN 0.487 nan 8.270 nan 0.000 0.420 443 Q N 0.379 120.219 119.800 0.067 0.000 2.062 443 Q HA -0.222 4.118 4.340 0.000 0.000 0.209 443 Q C 2.163 178.191 176.000 0.046 0.000 0.996 443 Q CA 1.731 57.553 55.803 0.031 0.000 0.859 443 Q CB -0.423 28.363 28.738 0.080 0.000 0.920 443 Q HN 0.436 nan 8.270 nan 0.000 0.415 444 I N 0.610 121.226 120.570 0.076 0.000 2.151 444 I HA -0.331 3.839 4.170 0.000 0.000 0.243 444 I C 2.357 178.482 176.117 0.012 0.000 1.080 444 I CA 1.242 62.550 61.300 0.015 0.000 1.339 444 I CB -0.472 37.437 38.000 -0.153 0.000 1.039 444 I HN 0.255 nan 8.210 nan 0.000 0.409 445 L N 0.704 121.959 121.223 0.053 0.000 2.012 445 L HA -0.203 4.137 4.340 0.000 0.000 0.210 445 L C 2.569 179.450 176.870 0.019 0.000 1.073 445 L CA 1.490 56.357 54.840 0.046 0.000 0.748 445 L CB -0.646 41.457 42.059 0.073 0.000 0.891 445 L HN 0.262 nan 8.230 nan 0.000 0.431 446 A N -0.237 122.591 122.820 0.015 0.000 2.264 446 A HA 0.139 4.459 4.320 0.000 0.000 0.207 446 A C 1.656 179.225 177.584 -0.024 0.000 1.196 446 A CA 0.788 52.822 52.037 -0.005 0.000 0.778 446 A CB -0.984 18.009 19.000 -0.010 0.000 0.779 446 A HN 0.632 nan 8.150 nan 0.000 0.483 447 G N -0.495 108.294 108.800 -0.019 0.000 2.203 447 G HA2 -0.303 3.657 3.960 0.000 0.000 0.263 447 G HA3 -0.303 3.657 3.960 0.000 0.000 0.263 447 G C 0.372 175.246 174.900 -0.043 0.000 1.012 447 G CA 0.618 45.708 45.100 -0.016 0.000 0.749 447 G HN 0.702 nan 8.290 nan 0.000 0.512 448 E N -1.235 118.885 120.200 -0.134 0.000 2.511 448 E HA 0.145 4.495 4.350 0.000 0.000 0.196 448 E C 0.407 176.691 176.600 -0.526 0.000 1.066 448 E CA 0.424 56.624 56.400 -0.334 0.000 0.871 448 E CB 0.085 29.476 29.700 -0.516 0.000 0.863 448 E HN 0.735 nan 8.360 nan 0.000 0.520 449 Y N -1.002 119.299 120.300 0.002 0.000 2.888 449 Y HA 0.107 4.657 4.550 0.000 0.000 0.260 449 Y C 0.479 176.287 175.900 -0.153 0.000 1.113 449 Y CA -0.766 57.239 58.100 -0.157 0.000 1.237 449 Y CB 0.503 38.958 38.460 -0.008 0.000 1.307 449 Y HN -0.075 nan 8.280 nan 0.000 0.580 450 D N -0.165 120.290 120.400 0.090 0.000 2.354 450 D HA -0.166 4.474 4.640 0.000 0.000 0.216 450 D C 2.005 178.369 176.300 0.106 0.000 0.970 450 D CA 1.467 55.516 54.000 0.083 0.000 0.905 450 D CB -0.091 40.751 40.800 0.071 0.000 0.903 450 D HN 0.613 nan 8.370 nan 0.000 0.508 451 H N -0.467 118.672 119.070 0.115 0.000 2.415 451 H HA 0.090 4.646 4.556 -0.000 0.000 0.297 451 H C 1.080 176.468 175.328 0.101 0.000 1.048 451 H CA -0.017 56.084 56.048 0.087 0.000 1.365 451 H CB -0.496 29.302 29.762 0.060 0.000 1.421 451 H HN 0.085 nan 8.280 nan 0.000 0.533 452 L N 2.990 124.067 121.223 -0.243 0.000 2.473 452 L HA 0.174 4.514 4.340 0.000 0.000 0.268 452 L C -1.980 174.914 176.870 0.039 0.000 1.215 452 L CA -1.822 52.942 54.840 -0.127 0.000 0.823 452 L CB 0.199 42.075 42.059 -0.306 0.000 1.099 452 L HN 0.140 nan 8.230 nan 0.000 0.483 453 P HA 0.166 nan 4.420 nan 0.000 0.279 453 P C -0.130 177.266 177.300 0.160 0.000 1.252 453 P CA -0.537 62.599 63.100 0.060 0.000 0.811 453 P CB 0.865 32.568 31.700 0.005 0.000 1.035 454 E N 0.746 121.069 120.200 0.204 0.000 2.033 454 E HA -0.274 4.076 4.350 0.000 0.000 0.199 454 E C 1.955 178.735 176.600 0.302 0.000 1.011 454 E CA 1.377 57.966 56.400 0.314 0.000 0.815 454 E CB -0.340 29.451 29.700 0.152 0.000 0.755 454 E HN 0.532 nan 8.360 nan 0.000 0.451 455 Q N 0.637 120.513 119.800 0.127 0.000 2.242 455 Q HA -0.259 4.081 4.340 0.000 0.000 0.211 455 Q C 2.169 178.200 176.000 0.052 0.000 0.992 455 Q CA 1.748 57.600 55.803 0.082 0.000 0.889 455 Q CB -0.689 28.062 28.738 0.021 0.000 0.913 455 Q HN 0.301 nan 8.270 nan 0.000 0.422 456 A N 0.635 123.390 122.820 -0.109 0.000 1.972 456 A HA -0.094 4.226 4.320 0.000 0.000 0.219 456 A C 1.742 179.106 177.584 -0.367 0.000 1.169 456 A CA 1.254 53.090 52.037 -0.334 0.000 0.635 456 A CB -0.720 17.903 19.000 -0.628 0.000 0.810 456 A HN 0.354 nan 8.150 nan 0.000 0.446 457 F N -2.398 117.560 119.950 0.013 0.000 2.512 457 F HA 0.140 4.667 4.527 0.000 0.000 0.296 457 F C 1.057 176.951 175.800 0.157 0.000 1.110 457 F CA -0.153 57.885 58.000 0.063 0.000 1.446 457 F CB -0.585 38.438 39.000 0.038 0.000 1.092 457 F HN 0.269 nan 8.300 nan 0.000 0.554 458 Y N 1.629 122.033 120.300 0.173 0.000 2.597 458 Y HA 0.112 4.662 4.550 -0.000 0.000 0.336 458 Y C 0.840 176.743 175.900 0.006 0.000 1.216 458 Y CA -1.028 57.124 58.100 0.088 0.000 1.463 458 Y CB 0.271 38.766 38.460 0.059 0.000 1.303 458 Y HN -0.002 nan 8.280 nan 0.000 0.576 459 M N 5.713 124.864 119.600 -0.749 0.000 2.787 459 M HA -0.165 4.315 4.480 0.000 0.000 0.176 459 M C -1.188 174.929 176.300 -0.304 0.000 1.139 459 M CA 1.181 56.081 55.300 -0.666 0.000 0.681 459 M CB -2.430 29.627 32.600 -0.905 0.000 1.180 459 M HN 0.549 nan 8.290 nan 0.000 0.788 460 V N -1.842 117.970 119.914 -0.171 0.000 3.182 460 V HA 1.066 5.186 4.120 0.000 0.000 0.308 460 V C 0.512 176.574 176.094 -0.052 0.000 1.240 460 V CA -0.077 62.193 62.300 -0.050 0.000 1.063 460 V CB 1.754 33.608 31.823 0.051 0.000 1.076 460 V HN 0.491 nan 8.190 nan 0.000 0.446 461 G N 0.379 109.183 108.800 0.007 0.000 2.908 461 G HA2 0.463 4.423 3.960 0.000 0.000 0.188 461 G HA3 0.463 4.423 3.960 0.000 0.000 0.188 461 G C -2.274 172.664 174.900 0.064 0.000 1.903 461 G CA -0.146 44.956 45.100 0.002 0.000 0.883 461 G HN 0.762 nan 8.290 nan 0.000 0.515 462 P HA 0.180 nan 4.420 nan 0.000 0.274 462 P C 0.747 178.183 177.300 0.227 0.000 1.237 462 P CA -0.595 62.616 63.100 0.185 0.000 0.793 462 P CB 1.506 33.262 31.700 0.095 0.000 0.977 463 I N 1.618 122.287 120.570 0.165 0.000 2.315 463 I HA -0.302 3.869 4.170 0.000 0.000 0.251 463 I C 1.798 177.799 176.117 -0.194 0.000 1.125 463 I CA 1.875 63.040 61.300 -0.225 0.000 1.392 463 I CB -0.595 37.170 38.000 -0.390 0.000 1.065 463 I HN 0.315 nan 8.210 nan 0.000 0.424 464 E N 0.600 120.764 120.200 -0.060 0.000 2.097 464 E HA -0.260 4.090 4.350 0.000 0.000 0.196 464 E C 2.052 178.609 176.600 -0.072 0.000 1.000 464 E CA 1.872 58.243 56.400 -0.048 0.000 0.804 464 E CB -0.348 29.353 29.700 0.002 0.000 0.740 464 E HN 0.618 nan 8.360 nan 0.000 0.454 465 E N 0.121 120.296 120.200 -0.040 0.000 2.268 465 E HA -0.097 4.253 4.350 0.000 0.000 0.195 465 E C 1.867 178.404 176.600 -0.105 0.000 0.995 465 E CA 0.795 57.172 56.400 -0.040 0.000 0.836 465 E CB -0.076 29.629 29.700 0.008 0.000 0.763 465 E HN 0.286 nan 8.360 nan 0.000 0.491 466 A N 0.924 123.629 122.820 -0.191 0.000 2.119 466 A HA -0.002 4.318 4.320 0.000 0.000 0.216 466 A C 2.340 179.616 177.584 -0.512 0.000 1.152 466 A CA 0.415 52.223 52.037 -0.383 0.000 0.708 466 A CB -0.029 18.668 19.000 -0.505 0.000 0.805 466 A HN 0.085 nan 8.150 nan 0.000 0.460 467 V N -0.577 119.113 119.914 -0.373 0.000 2.446 467 V HA -0.103 4.017 4.120 0.000 0.000 0.244 467 V C 2.985 178.984 176.094 -0.159 0.000 1.039 467 V CA 1.587 63.723 62.300 -0.272 0.000 1.045 467 V CB -0.710 31.030 31.823 -0.138 0.000 0.681 467 V HN 0.569 nan 8.190 nan 0.000 0.459 468 A N 0.138 122.888 122.820 -0.118 0.000 1.845 468 A HA -0.295 4.025 4.320 0.000 0.000 0.215 468 A C 2.265 179.802 177.584 -0.079 0.000 1.195 468 A CA 2.341 54.336 52.037 -0.070 0.000 0.616 468 A CB -0.647 18.327 19.000 -0.043 0.000 0.832 468 A HN 0.502 nan 8.150 nan 0.000 0.443 469 K N -0.278 120.063 120.400 -0.098 0.000 2.189 469 K HA -0.212 4.108 4.320 0.000 0.000 0.207 469 K C 1.956 178.494 176.600 -0.103 0.000 1.046 469 K CA 1.510 57.746 56.287 -0.084 0.000 0.928 469 K CB -0.331 32.117 32.500 -0.086 0.000 0.720 469 K HN 0.419 nan 8.250 nan 0.000 0.458 470 A N 1.198 123.924 122.820 -0.157 0.000 1.898 470 A HA -0.160 4.160 4.320 0.000 0.000 0.216 470 A C 1.606 179.149 177.584 -0.068 0.000 1.181 470 A CA 1.804 53.755 52.037 -0.142 0.000 0.620 470 A CB -0.420 18.463 19.000 -0.196 0.000 0.819 470 A HN 0.395 nan 8.150 nan 0.000 0.442 471 D N -0.301 120.069 120.400 -0.051 0.000 2.084 471 D HA -0.143 4.497 4.640 0.000 0.000 0.196 471 D C 1.862 178.151 176.300 -0.019 0.000 0.985 471 D CA 1.548 55.534 54.000 -0.023 0.000 0.826 471 D CB -0.357 40.433 40.800 -0.016 0.000 0.978 471 D HN 0.514 nan 8.370 nan 0.000 0.456 472 K N 0.528 120.914 120.400 -0.023 0.000 2.113 472 K HA -0.099 4.221 4.320 0.000 0.000 0.208 472 K C 2.107 178.700 176.600 -0.012 0.000 1.047 472 K CA 0.784 57.062 56.287 -0.014 0.000 0.928 472 K CB -0.101 32.393 32.500 -0.010 0.000 0.716 472 K HN 0.122 nan 8.250 nan 0.000 0.446 473 L N 0.266 121.477 121.223 -0.020 0.000 2.275 473 L HA 0.016 4.356 4.340 0.000 0.000 0.215 473 L C 1.022 177.886 176.870 -0.010 0.000 1.119 473 L CA 0.358 55.189 54.840 -0.015 0.000 0.790 473 L CB -0.996 41.049 42.059 -0.024 0.000 0.919 473 L HN 0.361 nan 8.230 nan 0.000 0.443 474 A N 0.000 122.814 122.820 -0.010 0.000 2.254 474 A HA 0.000 4.320 4.320 0.000 0.000 0.244 474 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 474 A CB 0.000 18.999 19.000 -0.001 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486