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 1e1r_1_E 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 0.000 174.872 174.700 0.286 0.000 1.109 9 T CA 0.000 62.192 62.100 0.153 0.000 1.349 9 T CB 0.000 68.962 68.868 0.157 0.000 0.612 10 T N 1.763 116.464 114.554 0.246 0.000 2.797 10 T HA 0.771 5.122 4.350 0.000 0.000 0.279 10 T C 0.637 175.258 174.700 -0.131 0.000 0.991 10 T CA -0.313 61.863 62.100 0.126 0.000 0.979 10 T CB 1.500 70.383 68.868 0.024 0.000 0.943 10 T HN 1.065 nan 8.240 nan 0.000 0.444 11 G N 2.109 110.504 108.800 -0.674 0.000 2.887 11 G HA2 0.785 4.745 3.960 0.000 0.000 0.277 11 G HA3 0.785 4.745 3.960 0.000 0.000 0.277 11 G C -1.123 173.396 174.900 -0.635 0.000 1.346 11 G CA -0.987 43.256 45.100 -1.429 0.000 1.058 11 G HN 0.610 nan 8.290 nan 0.000 0.535 12 R N -0.983 119.205 120.500 -0.520 0.000 2.628 12 R HA 0.401 4.741 4.340 0.000 0.000 0.288 12 R C -0.710 175.471 176.300 -0.197 0.000 0.980 12 R CA -0.728 55.214 56.100 -0.264 0.000 0.891 12 R CB 2.525 32.716 30.300 -0.182 0.000 1.188 12 R HN 0.359 nan 8.270 nan 0.000 0.450 13 I N 3.148 123.643 120.570 -0.125 0.000 2.587 13 I HA -0.071 4.099 4.170 0.000 0.000 0.284 13 I C 1.364 177.443 176.117 -0.063 0.000 1.134 13 I CA 0.132 61.386 61.300 -0.077 0.000 1.410 13 I CB 0.947 38.918 38.000 -0.048 0.000 1.392 13 I HN 0.582 nan 8.210 nan 0.000 0.545 14 V N 3.180 123.065 119.914 -0.049 0.000 3.621 14 V HA 0.547 4.667 4.120 0.000 0.000 0.263 14 V C 0.599 176.680 176.094 -0.021 0.000 1.272 14 V CA 0.278 62.556 62.300 -0.036 0.000 1.080 14 V CB 0.002 31.805 31.823 -0.033 0.000 0.816 14 V HN 0.713 nan 8.190 nan 0.000 0.451 15 A N -0.093 122.718 122.820 -0.015 0.000 2.488 15 A HA 0.774 5.094 4.320 0.000 0.000 0.295 15 A C -1.238 176.343 177.584 -0.005 0.000 1.045 15 A CA -0.358 51.674 52.037 -0.008 0.000 0.703 15 A CB 2.118 21.116 19.000 -0.003 0.000 1.271 15 A HN 0.371 nan 8.150 nan 0.000 0.400 16 V N 3.526 123.437 119.914 -0.004 0.000 2.376 16 V HA 0.465 4.585 4.120 0.000 0.000 0.287 16 V C -0.614 175.479 176.094 -0.001 0.000 1.015 16 V CA -0.043 62.255 62.300 -0.002 0.000 0.834 16 V CB 1.080 32.901 31.823 -0.003 0.000 1.001 16 V HN 0.716 nan 8.190 nan 0.000 0.428 17 I N 4.833 125.403 120.570 0.001 0.000 2.537 17 I HA 0.574 4.744 4.170 0.000 0.000 0.276 17 I C 1.072 177.190 176.117 0.000 0.000 1.063 17 I CA -0.080 61.221 61.300 0.000 0.000 1.144 17 I CB 1.146 39.146 38.000 0.000 0.000 1.252 17 I HN 0.817 nan 8.210 nan 0.000 0.480 18 G N 4.496 113.296 108.800 -0.000 0.000 2.611 18 G HA2 -0.360 3.600 3.960 0.000 0.000 0.301 18 G HA3 -0.360 3.600 3.960 0.000 0.000 0.301 18 G C 0.813 175.714 174.900 0.001 0.000 1.233 18 G CA 0.383 45.483 45.100 -0.001 0.000 0.993 18 G HN 0.800 nan 8.290 nan 0.000 0.553 19 A N -0.656 122.164 122.820 0.001 0.000 2.261 19 A HA 0.546 4.866 4.320 0.000 0.000 0.208 19 A C 0.654 178.242 177.584 0.007 0.000 1.223 19 A CA 1.463 53.502 52.037 0.003 0.000 0.833 19 A CB -0.201 18.799 19.000 -0.000 0.000 0.830 19 A HN 1.485 nan 8.150 nan 0.000 0.483 20 V N 0.704 120.622 119.914 0.006 0.000 2.407 20 V HA 0.386 4.506 4.120 0.000 0.000 0.291 20 V C -0.691 175.410 176.094 0.012 0.000 1.018 20 V CA -0.511 61.795 62.300 0.010 0.000 0.842 20 V CB 1.526 33.354 31.823 0.008 0.000 0.996 20 V HN 0.052 nan 8.190 nan 0.000 0.426 21 V N 3.625 123.550 119.914 0.018 0.000 2.487 21 V HA 0.513 4.633 4.120 0.000 0.000 0.298 21 V C -0.834 175.275 176.094 0.025 0.000 1.028 21 V CA -0.684 61.627 62.300 0.017 0.000 0.860 21 V CB 2.184 34.018 31.823 0.019 0.000 0.991 21 V HN 0.782 nan 8.190 nan 0.000 0.427 22 D N 3.287 123.698 120.400 0.018 0.000 2.280 22 D HA 0.556 5.196 4.640 0.000 0.000 0.236 22 D C -0.559 175.748 176.300 0.012 0.000 1.082 22 D CA 0.017 54.030 54.000 0.022 0.000 0.834 22 D CB 2.056 42.864 40.800 0.013 0.000 1.100 22 D HN 0.270 nan 8.370 nan 0.000 0.486 23 V N 2.606 122.542 119.914 0.037 0.000 2.487 23 V HA 0.334 4.454 4.120 0.000 0.000 0.298 23 V C -0.007 176.092 176.094 0.008 0.000 1.028 23 V CA -0.924 61.375 62.300 -0.001 0.000 0.860 23 V CB 1.866 33.731 31.823 0.071 0.000 0.991 23 V HN 0.394 nan 8.190 nan 0.000 0.427 24 Q N 2.817 122.540 119.800 -0.128 0.000 2.256 24 Q HA 0.640 4.980 4.340 0.000 0.000 0.257 24 Q C -1.830 174.013 176.000 -0.260 0.000 0.936 24 Q CA -0.422 55.332 55.803 -0.082 0.000 0.903 24 Q CB 1.467 30.162 28.738 -0.071 0.000 1.263 24 Q HN 0.625 nan 8.270 nan 0.000 0.440 25 F N 1.098 121.018 119.950 -0.049 0.000 2.556 25 F HA 0.285 4.812 4.527 0.000 0.000 0.327 25 F C 0.819 176.597 175.800 -0.037 0.000 1.059 25 F CA -0.590 57.384 58.000 -0.043 0.000 0.953 25 F CB 1.704 40.672 39.000 -0.052 0.000 1.227 25 F HN 0.614 nan 8.300 nan 0.000 0.478 26 D N 0.324 120.811 120.400 0.146 0.000 2.201 26 D HA 0.067 4.707 4.640 0.000 0.000 0.209 26 D C -0.010 176.334 176.300 0.074 0.000 0.961 26 D CA 1.200 55.244 54.000 0.072 0.000 0.861 26 D CB 0.402 41.226 40.800 0.040 0.000 0.997 26 D HN 0.490 nan 8.370 nan 0.000 0.486 27 E N -1.802 118.455 120.200 0.096 0.000 2.449 27 E HA 0.517 4.867 4.350 0.000 0.000 0.278 27 E C -0.620 176.009 176.600 0.048 0.000 0.992 27 E CA -0.633 55.800 56.400 0.056 0.000 0.807 27 E CB 2.132 31.855 29.700 0.038 0.000 1.350 27 E HN 0.025 nan 8.360 nan 0.000 0.462 28 G N 1.227 110.027 108.800 0.000 0.000 2.381 28 G HA2 -0.237 3.723 3.960 0.000 0.000 0.281 28 G HA3 -0.237 3.723 3.960 0.000 0.000 0.281 28 G C -0.751 174.059 174.900 -0.150 0.000 0.984 28 G CA 0.017 45.088 45.100 -0.048 0.000 1.339 28 G HN 0.223 nan 8.290 nan 0.000 0.485 29 L N 3.895 125.026 121.223 -0.153 0.000 2.360 29 L HA 0.486 4.826 4.340 0.000 0.000 0.276 29 L C -1.251 175.436 176.870 -0.306 0.000 1.121 29 L CA -1.812 52.851 54.840 -0.295 0.000 0.845 29 L CB 0.584 42.503 42.059 -0.234 0.000 1.143 29 L HN 0.250 nan 8.230 nan 0.000 0.452 30 P HA 0.199 nan 4.420 nan 0.000 0.271 30 P C -2.625 174.661 177.300 -0.024 0.000 1.226 30 P CA -1.210 61.718 63.100 -0.287 0.000 0.765 30 P CB 0.037 31.498 31.700 -0.399 0.000 0.835 31 P HA 0.130 nan 4.420 nan 0.000 0.271 31 P C 0.359 177.703 177.300 0.073 0.000 1.233 31 P CA -0.097 63.065 63.100 0.104 0.000 0.789 31 P CB 0.400 32.099 31.700 -0.001 0.000 0.951 32 I N 1.708 122.262 120.570 -0.027 0.000 2.692 32 I HA -0.038 4.132 4.170 0.000 0.000 0.284 32 I C 1.356 177.425 176.117 -0.080 0.000 1.159 32 I CA 0.446 61.716 61.300 -0.051 0.000 1.423 32 I CB -0.302 37.623 38.000 -0.126 0.000 1.380 32 I HN 0.420 nan 8.210 nan 0.000 0.580 33 L N 1.926 123.100 121.223 -0.083 0.000 4.586 33 L HA -0.235 4.105 4.340 0.000 0.000 0.401 33 L C 0.169 177.034 176.870 -0.009 0.000 0.854 33 L CA 0.083 54.841 54.840 -0.136 0.000 1.918 33 L CB -1.614 40.239 42.059 -0.342 0.000 1.631 33 L HN 0.706 nan 8.230 nan 0.000 0.579 34 N N 0.761 119.464 118.700 0.004 0.000 2.444 34 N HA 0.533 5.273 4.740 0.000 0.000 0.255 34 N C 0.217 175.753 175.510 0.043 0.000 1.255 34 N CA 0.843 53.906 53.050 0.021 0.000 0.933 34 N CB 0.838 39.317 38.487 -0.014 0.000 1.143 34 N HN 0.300 nan 8.380 nan 0.000 0.453 35 A N 1.659 124.508 122.820 0.049 0.000 2.305 35 A HA 0.639 4.959 4.320 0.000 0.000 0.322 35 A C -0.824 176.793 177.584 0.054 0.000 1.187 35 A CA -0.573 51.499 52.037 0.058 0.000 0.825 35 A CB 0.196 19.234 19.000 0.063 0.000 1.164 35 A HN 0.590 nan 8.150 nan 0.000 0.498 36 L N 2.225 123.490 121.223 0.070 0.000 2.362 36 L HA 0.446 4.786 4.340 0.000 0.000 0.275 36 L C -0.511 176.406 176.870 0.079 0.000 0.998 36 L CA -0.808 54.089 54.840 0.096 0.000 0.820 36 L CB 1.870 44.016 42.059 0.146 0.000 1.270 36 L HN 0.602 nan 8.230 nan 0.000 0.415 37 E N 3.262 123.507 120.200 0.074 0.000 2.130 37 E HA 0.262 4.612 4.350 0.000 0.000 0.284 37 E C -0.442 176.187 176.600 0.048 0.000 1.018 37 E CA -0.466 55.966 56.400 0.054 0.000 0.817 37 E CB 2.218 31.945 29.700 0.045 0.000 1.078 37 E HN 0.214 nan 8.360 nan 0.000 0.396 38 V N 3.989 123.925 119.914 0.037 0.000 2.614 38 V HA -0.013 4.107 4.120 0.000 0.000 0.291 38 V C 0.673 176.776 176.094 0.015 0.000 1.049 38 V CA -0.334 61.980 62.300 0.023 0.000 1.038 38 V CB 0.952 32.784 31.823 0.016 0.000 0.980 38 V HN 0.493 nan 8.190 nan 0.000 0.481 39 Q N 2.009 121.812 119.800 0.005 0.000 2.227 39 Q HA 0.478 4.818 4.340 0.000 0.000 0.245 39 Q C 0.871 176.871 176.000 -0.001 0.000 0.926 39 Q CA 0.335 56.140 55.803 0.002 0.000 0.895 39 Q CB 1.336 30.072 28.738 -0.003 0.000 1.230 39 Q HN 1.169 nan 8.270 nan 0.000 0.450 40 G N 2.038 110.838 108.800 0.000 0.000 2.353 40 G HA2 -0.272 3.688 3.960 0.000 0.000 0.294 40 G HA3 -0.272 3.688 3.960 0.000 0.000 0.294 40 G C -0.324 174.577 174.900 0.001 0.000 1.077 40 G CA 0.179 45.279 45.100 -0.001 0.000 1.098 40 G HN 0.416 nan 8.290 nan 0.000 0.511 41 R N -0.724 119.778 120.500 0.004 0.000 2.604 41 R HA 0.312 4.652 4.340 0.000 0.000 0.270 41 R C 0.801 177.105 176.300 0.007 0.000 1.052 41 R CA -0.998 55.105 56.100 0.005 0.000 0.902 41 R CB 1.179 31.483 30.300 0.007 0.000 1.233 41 R HN 0.134 nan 8.270 nan 0.000 0.455 42 E N 0.881 121.085 120.200 0.007 0.000 2.007 42 E HA -0.131 4.219 4.350 0.000 0.000 0.203 42 E C 0.713 177.319 176.600 0.010 0.000 1.020 42 E CA 1.975 58.380 56.400 0.008 0.000 0.845 42 E CB -0.364 29.341 29.700 0.007 0.000 0.779 42 E HN 0.720 nan 8.360 nan 0.000 0.466 43 T N -0.526 114.035 114.554 0.011 0.000 2.868 43 T HA 0.253 4.603 4.350 0.000 0.000 0.292 43 T C 0.454 175.163 174.700 0.015 0.000 1.028 43 T CA -0.716 61.392 62.100 0.013 0.000 1.059 43 T CB 1.473 70.349 68.868 0.013 0.000 0.991 43 T HN 0.046 nan 8.240 nan 0.000 0.531 44 R N 1.016 121.527 120.500 0.018 0.000 2.421 44 R HA 0.292 4.632 4.340 0.000 0.000 0.305 44 R C -0.938 175.376 176.300 0.022 0.000 1.039 44 R CA -0.596 55.517 56.100 0.022 0.000 1.003 44 R CB -0.118 30.198 30.300 0.026 0.000 0.959 44 R HN 0.566 nan 8.270 nan 0.000 0.427 45 L N 6.483 127.720 121.223 0.023 0.000 2.295 45 L HA 0.324 4.664 4.340 0.000 0.000 0.281 45 L C -1.206 175.682 176.870 0.031 0.000 1.018 45 L CA -0.468 54.386 54.840 0.024 0.000 0.841 45 L CB 1.675 43.746 42.059 0.020 0.000 1.218 45 L HN 0.365 nan 8.230 nan 0.000 0.424 46 V N 6.279 126.214 119.914 0.034 0.000 2.481 46 V HA 0.441 4.561 4.120 0.000 0.000 0.286 46 V C 0.130 176.251 176.094 0.045 0.000 1.042 46 V CA -0.567 61.759 62.300 0.043 0.000 0.928 46 V CB 1.592 33.441 31.823 0.044 0.000 0.986 46 V HN 0.556 nan 8.190 nan 0.000 0.462 47 L N 4.168 125.423 121.223 0.055 0.000 2.322 47 L HA 0.594 4.934 4.340 0.000 0.000 0.281 47 L C 0.025 176.933 176.870 0.064 0.000 1.014 47 L CA -0.356 54.518 54.840 0.057 0.000 0.815 47 L CB 1.807 43.904 42.059 0.064 0.000 1.247 47 L HN 0.642 nan 8.230 nan 0.000 0.421 48 E N 2.520 122.757 120.200 0.061 0.000 2.113 48 E HA 0.294 4.644 4.350 0.000 0.000 0.273 48 E C -0.949 175.684 176.600 0.054 0.000 0.924 48 E CA -0.780 55.660 56.400 0.065 0.000 0.764 48 E CB 1.739 31.489 29.700 0.083 0.000 1.104 48 E HN 0.333 nan 8.360 nan 0.000 0.406 49 V N 4.273 124.217 119.914 0.050 0.000 2.557 49 V HA -0.037 4.083 4.120 0.000 0.000 0.301 49 V C 0.987 177.101 176.094 0.034 0.000 1.026 49 V CA 1.149 63.481 62.300 0.054 0.000 1.137 49 V CB 0.706 32.565 31.823 0.060 0.000 0.917 49 V HN 0.886 nan 8.190 nan 0.000 0.484 50 A N 4.392 127.236 122.820 0.040 0.000 2.013 50 A HA 0.314 4.634 4.320 0.000 0.000 0.204 50 A C 0.733 178.331 177.584 0.023 0.000 1.262 50 A CA 0.263 52.310 52.037 0.017 0.000 0.800 50 A CB 0.332 19.342 19.000 0.017 0.000 0.909 50 A HN 0.779 nan 8.150 nan 0.000 0.472 51 Q N -1.211 118.630 119.800 0.069 0.000 2.462 51 Q HA 0.414 4.754 4.340 0.000 0.000 0.285 51 Q C -1.638 174.489 176.000 0.212 0.000 1.035 51 Q CA -0.579 55.273 55.803 0.082 0.000 0.799 51 Q CB 1.858 30.627 28.738 0.052 0.000 1.452 51 Q HN 0.592 nan 8.270 nan 0.000 0.404 52 H N 1.688 120.755 119.070 -0.005 0.000 2.623 52 H HA 0.255 4.811 4.556 0.000 0.000 0.299 52 H C 0.480 175.812 175.328 0.006 0.000 1.052 52 H CA -0.294 55.754 56.048 0.001 0.000 1.231 52 H CB 0.984 30.742 29.762 -0.007 0.000 1.389 52 H HN 0.437 nan 8.280 nan 0.000 0.469 53 L N 2.821 124.105 121.223 0.102 0.000 2.478 53 L HA 0.103 4.443 4.340 0.000 0.000 0.223 53 L C 1.191 178.090 176.870 0.048 0.000 1.140 53 L CA 0.563 55.438 54.840 0.060 0.000 0.842 53 L CB -0.192 41.890 42.059 0.038 0.000 0.953 53 L HN 0.886 nan 8.230 nan 0.000 0.452 54 G N 0.188 109.018 108.800 0.050 0.000 2.663 54 G HA2 -0.176 3.784 3.960 0.000 0.000 0.686 54 G HA3 -0.176 3.784 3.960 0.000 0.000 0.686 54 G C 0.022 174.931 174.900 0.016 0.000 1.288 54 G CA -0.402 44.718 45.100 0.034 0.000 0.836 54 G HN 0.334 nan 8.290 nan 0.000 0.584 55 E N -0.940 119.268 120.200 0.013 0.000 2.476 55 E HA -0.235 4.115 4.350 0.000 0.000 0.251 55 E C 1.059 177.662 176.600 0.006 0.000 1.130 55 E CA 1.092 57.497 56.400 0.008 0.000 0.736 55 E CB -1.612 28.092 29.700 0.008 0.000 1.298 55 E HN 1.993 nan 8.360 nan 0.000 0.400 56 S N -2.233 113.466 115.700 -0.002 0.000 3.270 56 S HA -0.206 4.264 4.470 0.000 0.000 0.293 56 S C 0.246 174.857 174.600 0.018 0.000 1.278 56 S CA 1.643 59.844 58.200 0.002 0.000 1.038 56 S CB -0.856 62.358 63.200 0.024 0.000 1.218 56 S HN 0.457 nan 8.310 nan 0.000 0.659 57 T N 1.715 116.269 114.554 -0.001 0.000 2.824 57 T HA 0.620 4.970 4.350 0.000 0.000 0.280 57 T C 0.251 174.949 174.700 -0.004 0.000 0.995 57 T CA -0.212 61.899 62.100 0.018 0.000 1.009 57 T CB 1.783 70.659 68.868 0.014 0.000 0.955 57 T HN 0.511 nan 8.240 nan 0.000 0.452 58 V N 1.527 121.461 119.914 0.033 0.000 2.769 58 V HA 0.787 4.907 4.120 0.000 0.000 0.312 58 V C -0.311 175.820 176.094 0.063 0.000 1.058 58 V CA -1.435 60.883 62.300 0.030 0.000 0.952 58 V CB 1.709 33.542 31.823 0.016 0.000 1.019 58 V HN 0.862 nan 8.190 nan 0.000 0.445 59 R N 2.244 122.784 120.500 0.067 0.000 2.338 59 R HA 0.748 5.088 4.340 0.000 0.000 0.317 59 R C -0.150 176.185 176.300 0.058 0.000 0.968 59 R CA 0.370 56.503 56.100 0.054 0.000 0.849 59 R CB 1.527 31.853 30.300 0.044 0.000 1.128 59 R HN 1.188 nan 8.270 nan 0.000 0.448 60 T N 1.983 116.567 114.554 0.051 0.000 2.907 60 T HA 0.540 4.890 4.350 0.000 0.000 0.290 60 T C 0.150 174.872 174.700 0.036 0.000 1.066 60 T CA -1.046 61.083 62.100 0.050 0.000 1.012 60 T CB 1.108 70.014 68.868 0.063 0.000 1.184 60 T HN 0.601 nan 8.240 nan 0.000 0.522 61 I N -0.400 120.191 120.570 0.035 0.000 2.404 61 I HA 0.807 4.978 4.170 0.000 0.000 0.293 61 I C -0.026 176.108 176.117 0.029 0.000 0.992 61 I CA -1.438 59.878 61.300 0.026 0.000 1.149 61 I CB 1.350 39.362 38.000 0.020 0.000 1.315 61 I HN 0.899 nan 8.210 nan 0.000 0.446 62 A N 6.926 129.760 122.820 0.023 0.000 2.363 62 A HA 0.493 4.813 4.320 0.000 0.000 0.270 62 A C 0.769 178.366 177.584 0.022 0.000 1.121 62 A CA -0.611 51.440 52.037 0.023 0.000 0.800 62 A CB 0.779 19.790 19.000 0.018 0.000 1.052 62 A HN 0.874 nan 8.150 nan 0.000 0.493 63 M N 0.724 120.339 119.600 0.025 0.000 2.561 63 M HA 0.168 4.648 4.480 0.000 0.000 0.238 63 M C -0.098 176.214 176.300 0.019 0.000 1.131 63 M CA 0.658 55.972 55.300 0.024 0.000 1.046 63 M CB -1.099 31.518 32.600 0.028 0.000 1.532 63 M HN 0.805 nan 8.290 nan 0.000 0.497 64 D N -1.199 119.211 120.400 0.017 0.000 2.677 64 D HA 0.493 5.133 4.640 0.000 0.000 0.298 64 D C -0.435 175.871 176.300 0.011 0.000 1.250 64 D CA -0.202 53.806 54.000 0.014 0.000 0.888 64 D CB 1.072 41.881 40.800 0.015 0.000 1.397 64 D HN 0.101 nan 8.370 nan 0.000 0.461 65 G N -0.979 107.826 108.800 0.009 0.000 2.474 65 G HA2 0.316 4.276 3.960 0.000 0.000 0.233 65 G HA3 0.316 4.276 3.960 0.000 0.000 0.233 65 G C 0.809 175.713 174.900 0.007 0.000 1.278 65 G CA 0.735 45.839 45.100 0.007 0.000 0.861 65 G HN 0.453 nan 8.290 nan 0.000 0.567 66 T N -1.761 112.796 114.554 0.005 0.000 3.044 66 T HA 0.196 4.546 4.350 0.000 0.000 0.260 66 T C 0.422 175.124 174.700 0.002 0.000 1.019 66 T CA -0.016 62.086 62.100 0.005 0.000 0.921 66 T CB 0.080 68.951 68.868 0.005 0.000 1.053 66 T HN 0.583 nan 8.240 nan 0.000 0.533 67 E N 1.811 122.012 120.200 0.002 0.000 2.481 67 E HA 0.414 4.764 4.350 0.000 0.000 0.263 67 E C 1.438 178.038 176.600 0.001 0.000 0.992 67 E CA 0.578 56.979 56.400 0.001 0.000 0.938 67 E CB -0.670 29.031 29.700 0.001 0.000 0.933 67 E HN 0.349 nan 8.360 nan 0.000 0.453 68 G N 1.567 110.366 108.800 -0.001 0.000 2.253 68 G HA2 -0.316 3.644 3.960 0.000 0.000 0.251 68 G HA3 -0.316 3.644 3.960 0.000 0.000 0.251 68 G C 0.157 175.055 174.900 -0.004 0.000 0.998 68 G CA 0.107 45.206 45.100 -0.002 0.000 0.621 68 G HN 0.466 nan 8.290 nan 0.000 0.524 69 L N 0.907 122.128 121.223 -0.004 0.000 2.485 69 L HA 0.411 4.751 4.340 0.000 0.000 0.275 69 L C 0.744 177.608 176.870 -0.009 0.000 1.207 69 L CA -0.056 54.781 54.840 -0.006 0.000 0.855 69 L CB 0.954 43.010 42.059 -0.005 0.000 1.114 69 L HN 0.036 nan 8.230 nan 0.000 0.485 70 V N 3.439 123.345 119.914 -0.013 0.000 2.715 70 V HA 0.382 4.502 4.120 0.000 0.000 0.310 70 V C 0.102 176.183 176.094 -0.022 0.000 1.054 70 V CA -0.927 61.363 62.300 -0.016 0.000 0.928 70 V CB 2.013 33.827 31.823 -0.016 0.000 1.007 70 V HN 0.656 nan 8.190 nan 0.000 0.437 71 R N 2.049 122.535 120.500 -0.022 0.000 2.401 71 R HA 0.467 4.807 4.340 0.000 0.000 0.299 71 R C 1.175 177.454 176.300 -0.035 0.000 1.064 71 R CA 0.948 57.031 56.100 -0.028 0.000 1.000 71 R CB 0.323 30.609 30.300 -0.024 0.000 0.973 71 R HN 1.171 nan 8.270 nan 0.000 0.438 72 G N 1.796 110.567 108.800 -0.049 0.000 2.218 72 G HA2 -0.290 3.670 3.960 0.000 0.000 0.216 72 G HA3 -0.290 3.670 3.960 0.000 0.000 0.216 72 G C 0.184 175.048 174.900 -0.060 0.000 0.994 72 G CA -0.257 44.809 45.100 -0.056 0.000 0.637 72 G HN 0.582 nan 8.290 nan 0.000 0.505 73 Q N 1.273 121.043 119.800 -0.050 0.000 2.349 73 Q HA 0.368 4.708 4.340 0.000 0.000 0.287 73 Q C 0.328 176.288 176.000 -0.066 0.000 1.044 73 Q CA 0.309 56.084 55.803 -0.046 0.000 0.918 73 Q CB 0.304 29.022 28.738 -0.033 0.000 1.242 73 Q HN 0.420 nan 8.270 nan 0.000 0.405 74 K N 1.899 122.264 120.400 -0.059 0.000 2.298 74 K HA 0.287 4.607 4.320 0.000 0.000 0.280 74 K C -1.180 175.385 176.600 -0.058 0.000 1.032 74 K CA -0.314 55.929 56.287 -0.073 0.000 0.958 74 K CB 1.127 33.597 32.500 -0.050 0.000 0.978 74 K HN 0.329 nan 8.250 nan 0.000 0.472 75 V N 5.241 125.105 119.914 -0.084 0.000 2.482 75 V HA 0.252 4.372 4.120 0.000 0.000 0.295 75 V C -0.494 175.632 176.094 0.053 0.000 1.026 75 V CA -0.850 61.437 62.300 -0.021 0.000 0.856 75 V CB 1.338 33.141 31.823 -0.033 0.000 1.001 75 V HN 0.595 nan 8.190 nan 0.000 0.424 76 L N 3.482 124.762 121.223 0.095 0.000 2.292 76 L HA 0.517 4.857 4.340 0.000 0.000 0.284 76 L C 0.007 176.987 176.870 0.184 0.000 1.065 76 L CA -0.434 54.491 54.840 0.141 0.000 0.806 76 L CB 1.172 43.278 42.059 0.078 0.000 1.175 76 L HN 0.601 nan 8.230 nan 0.000 0.431 77 D N 1.238 121.769 120.400 0.219 0.000 2.317 77 D HA 0.046 4.686 4.640 0.000 0.000 0.252 77 D C 1.028 177.349 176.300 0.034 0.000 1.174 77 D CA -0.320 53.727 54.000 0.079 0.000 0.866 77 D CB 1.516 42.249 40.800 -0.112 0.000 1.127 77 D HN 0.526 nan 8.370 nan 0.000 0.467 78 S N 2.629 118.344 115.700 0.024 0.000 2.561 78 S HA 0.167 4.637 4.470 0.000 0.000 0.225 78 S C 1.787 176.386 174.600 -0.002 0.000 0.977 78 S CA 0.440 58.649 58.200 0.015 0.000 0.926 78 S CB -0.352 62.862 63.200 0.023 0.000 0.769 78 S HN 1.014 nan 8.310 nan 0.000 0.533 79 G N 0.276 109.066 108.800 -0.017 0.000 2.234 79 G HA2 -0.020 3.940 3.960 0.000 0.000 0.260 79 G HA3 -0.020 3.940 3.960 0.000 0.000 0.260 79 G C 0.199 175.091 174.900 -0.013 0.000 0.987 79 G CA -0.071 45.015 45.100 -0.023 0.000 0.625 79 G HN 1.601 nan 8.290 nan 0.000 0.532 80 A N -0.456 122.365 122.820 0.001 0.000 2.602 80 A HA 0.921 5.241 4.320 0.000 0.000 0.290 80 A C -2.709 174.899 177.584 0.039 0.000 1.114 80 A CA -0.592 51.455 52.037 0.018 0.000 0.683 80 A CB 1.260 20.274 19.000 0.023 0.000 1.281 80 A HN 0.151 nan 8.150 nan 0.000 0.416 81 P HA 0.181 nan 4.420 nan 0.000 0.273 81 P C -0.248 177.111 177.300 0.098 0.000 1.258 81 P CA 0.005 63.173 63.100 0.113 0.000 0.802 81 P CB 0.160 31.977 31.700 0.196 0.000 1.040 82 I N 0.470 121.104 120.570 0.107 0.000 2.741 82 I HA -0.048 4.122 4.170 0.000 0.000 0.288 82 I C 1.309 177.461 176.117 0.059 0.000 1.192 82 I CA 0.923 62.264 61.300 0.069 0.000 1.426 82 I CB -0.239 37.786 38.000 0.042 0.000 1.367 82 I HN 0.122 nan 8.210 nan 0.000 0.563 83 R N 6.958 127.511 120.500 0.089 0.000 2.534 83 R HA 0.689 5.029 4.340 0.000 0.000 0.301 83 R C -0.855 175.550 176.300 0.175 0.000 0.961 83 R CA -0.753 55.427 56.100 0.132 0.000 0.871 83 R CB 1.985 32.394 30.300 0.181 0.000 1.170 83 R HN 0.579 nan 8.270 nan 0.000 0.446 84 I N -0.862 119.739 120.570 0.051 0.000 2.846 84 I HA 0.639 4.809 4.170 0.000 0.000 0.307 84 I C -2.611 173.195 176.117 -0.518 0.000 1.053 84 I CA -3.343 57.859 61.300 -0.164 0.000 1.050 84 I CB 2.151 40.059 38.000 -0.154 0.000 1.239 84 I HN 0.319 nan 8.210 nan 0.000 0.439 85 P HA 0.120 nan 4.420 nan 0.000 0.263 85 P C -0.789 176.177 177.300 -0.556 0.000 1.195 85 P CA -0.028 62.415 63.100 -1.095 0.000 0.762 85 P CB 0.551 31.747 31.700 -0.841 0.000 0.799 86 V N 1.211 120.835 119.914 -0.484 0.000 2.735 86 V HA 1.022 5.142 4.120 0.000 0.000 0.310 86 V C 0.092 175.653 176.094 -0.888 0.000 1.061 86 V CA -0.263 61.703 62.300 -0.557 0.000 0.913 86 V CB 1.466 33.049 31.823 -0.400 0.000 1.005 86 V HN 0.900 nan 8.190 nan 0.000 0.428 87 G N 3.892 112.031 108.800 -1.102 0.000 2.353 87 G HA2 0.189 4.150 3.960 0.000 0.000 0.424 87 G HA3 0.189 4.150 3.960 0.000 0.000 0.424 87 G C -2.761 172.035 174.900 -0.174 0.000 1.320 87 G CA -0.026 44.505 45.100 -0.949 0.000 0.995 87 G HN 0.557 nan 8.290 nan 0.000 0.580 88 P HA -0.022 nan 4.420 nan 0.000 0.219 88 P C 1.482 178.805 177.300 0.038 0.000 1.146 88 P CA 1.604 64.829 63.100 0.208 0.000 0.808 88 P CB 0.102 31.918 31.700 0.194 0.000 0.779 89 E N -0.717 119.468 120.200 -0.025 0.000 2.333 89 E HA -0.117 4.233 4.350 0.000 0.000 0.198 89 E C 1.614 178.169 176.600 -0.074 0.000 1.007 89 E CA 1.612 57.980 56.400 -0.053 0.000 0.845 89 E CB -1.261 28.398 29.700 -0.069 0.000 0.766 89 E HN 0.449 nan 8.360 nan 0.000 0.507 90 T N -0.923 113.583 114.554 -0.079 0.000 3.055 90 T HA 0.041 4.391 4.350 0.000 0.000 0.265 90 T C 1.245 175.916 174.700 -0.049 0.000 1.111 90 T CA -0.052 61.994 62.100 -0.090 0.000 1.118 90 T CB -0.226 68.567 68.868 -0.125 0.000 0.909 90 T HN -0.001 nan 8.240 nan 0.000 0.501 91 L N 2.116 123.320 121.223 -0.032 0.000 2.534 91 L HA 0.393 4.734 4.340 0.000 0.000 0.271 91 L C 1.690 178.516 176.870 -0.074 0.000 1.178 91 L CA 0.825 55.620 54.840 -0.075 0.000 0.907 91 L CB -0.031 41.904 42.059 -0.207 0.000 1.164 91 L HN 0.597 nan 8.230 nan 0.000 0.482 92 G N 2.388 111.156 108.800 -0.055 0.000 2.184 92 G HA2 -0.231 3.729 3.960 0.000 0.000 0.264 92 G HA3 -0.231 3.729 3.960 0.000 0.000 0.264 92 G C 0.358 175.253 174.900 -0.009 0.000 0.975 92 G CA -0.265 44.822 45.100 -0.021 0.000 0.642 92 G HN 0.503 nan 8.290 nan 0.000 0.536 93 R N -0.161 120.302 120.500 -0.062 0.000 2.540 93 R HA 0.681 5.021 4.340 0.000 0.000 0.287 93 R C 0.334 176.516 176.300 -0.197 0.000 0.980 93 R CA -0.933 55.103 56.100 -0.106 0.000 0.966 93 R CB 0.922 31.162 30.300 -0.100 0.000 1.106 93 R HN 0.291 nan 8.270 nan 0.000 0.480 94 I N 2.740 123.136 120.570 -0.289 0.000 2.336 94 I HA 0.346 4.516 4.170 0.000 0.000 0.292 94 I C 0.566 176.520 176.117 -0.271 0.000 0.991 94 I CA -0.257 60.796 61.300 -0.411 0.000 1.227 94 I CB 1.287 38.931 38.000 -0.594 0.000 1.366 94 I HN 0.291 nan 8.210 nan 0.000 0.466 95 M N 5.624 125.080 119.600 -0.239 0.000 2.705 95 M HA 0.441 4.921 4.480 0.000 0.000 0.311 95 M C -0.647 175.596 176.300 -0.094 0.000 1.214 95 M CA -0.515 54.696 55.300 -0.149 0.000 0.920 95 M CB 1.993 34.509 32.600 -0.140 0.000 1.687 95 M HN 0.561 nan 8.290 nan 0.000 0.481 96 N N 0.307 118.975 118.700 -0.054 0.000 2.491 96 N HA 0.332 5.072 4.740 0.000 0.000 0.279 96 N C 0.522 176.027 175.510 -0.009 0.000 1.236 96 N CA -0.542 52.503 53.050 -0.008 0.000 0.982 96 N CB 1.028 39.511 38.487 -0.008 0.000 1.194 96 N HN 0.504 nan 8.380 nan 0.000 0.582 97 V N 0.600 120.519 119.914 0.009 0.000 2.287 97 V HA -0.178 3.942 4.120 0.000 0.000 0.248 97 V C 1.693 177.781 176.094 -0.010 0.000 1.053 97 V CA 2.035 64.337 62.300 0.003 0.000 1.027 97 V CB -1.084 30.748 31.823 0.015 0.000 0.646 97 V HN 0.763 nan 8.190 nan 0.000 0.447 98 I N -1.313 119.256 120.570 -0.002 0.000 3.864 98 I HA 0.610 4.781 4.170 0.000 0.000 0.326 98 I C 1.367 177.481 176.117 -0.005 0.000 1.444 98 I CA 0.554 61.858 61.300 0.006 0.000 1.195 98 I CB -0.476 37.538 38.000 0.024 0.000 1.124 98 I HN 0.360 nan 8.210 nan 0.000 0.407 99 G N 1.197 109.971 108.800 -0.042 0.000 2.184 99 G HA2 -0.295 3.665 3.960 0.000 0.000 0.264 99 G HA3 -0.295 3.665 3.960 0.000 0.000 0.264 99 G C 0.042 174.892 174.900 -0.083 0.000 0.975 99 G CA 0.293 45.338 45.100 -0.091 0.000 0.642 99 G HN 0.675 nan 8.290 nan 0.000 0.536 100 E N 1.950 122.127 120.200 -0.038 0.000 2.392 100 E HA 0.348 4.698 4.350 0.000 0.000 0.264 100 E C -2.197 174.372 176.600 -0.052 0.000 1.024 100 E CA -1.360 55.022 56.400 -0.029 0.000 0.903 100 E CB 0.724 30.421 29.700 -0.005 0.000 0.963 100 E HN 0.236 nan 8.360 nan 0.000 0.432 101 P HA 0.043 nan 4.420 nan 0.000 0.276 101 P C -0.035 177.232 177.300 -0.056 0.000 1.235 101 P CA 0.278 63.337 63.100 -0.069 0.000 0.772 101 P CB 0.251 31.916 31.700 -0.058 0.000 0.871 102 I N -0.468 120.054 120.570 -0.080 0.000 3.658 102 I HA 0.301 4.471 4.170 0.000 0.000 0.328 102 I C -0.233 175.831 176.117 -0.089 0.000 1.567 102 I CA -0.356 60.908 61.300 -0.059 0.000 1.078 102 I CB 0.135 38.116 38.000 -0.031 0.000 1.267 102 I HN 0.018 nan 8.210 nan 0.000 0.495 103 D N -0.532 119.805 120.400 -0.105 0.000 2.433 103 D HA 0.031 4.671 4.640 0.000 0.000 0.211 103 D C 0.488 176.779 176.300 -0.015 0.000 1.114 103 D CA -0.002 53.930 54.000 -0.113 0.000 0.837 103 D CB 0.121 40.809 40.800 -0.187 0.000 0.984 103 D HN 0.154 nan 8.370 nan 0.000 0.505 104 E N -0.025 120.170 120.200 -0.008 0.000 2.868 104 E HA -0.232 4.119 4.350 0.000 0.000 0.278 104 E C 0.109 176.720 176.600 0.018 0.000 1.009 104 E CA 0.351 56.759 56.400 0.014 0.000 0.856 104 E CB -2.078 27.642 29.700 0.033 0.000 1.428 104 E HN 0.553 nan 8.360 nan 0.000 0.423 105 R N -0.009 120.495 120.500 0.006 0.000 2.586 105 R HA 0.381 4.721 4.340 0.000 0.000 0.336 105 R C 1.030 177.329 176.300 -0.001 0.000 1.060 105 R CA 0.331 56.436 56.100 0.009 0.000 1.079 105 R CB 0.819 31.127 30.300 0.013 0.000 1.317 105 R HN 0.302 nan 8.270 nan 0.000 0.568 106 G N 2.159 110.958 108.800 -0.002 0.000 2.796 106 G HA2 -0.245 3.715 3.960 0.000 0.000 0.226 106 G HA3 -0.245 3.715 3.960 0.000 0.000 0.226 106 G C -2.403 172.491 174.900 -0.009 0.000 1.381 106 G CA -1.226 43.873 45.100 -0.001 0.000 0.867 106 G HN 0.058 nan 8.290 nan 0.000 0.552 107 P HA 0.282 nan 4.420 nan 0.000 0.270 107 P C 0.384 177.670 177.300 -0.024 0.000 1.216 107 P CA 0.109 63.207 63.100 -0.004 0.000 0.788 107 P CB 0.228 31.938 31.700 0.016 0.000 0.883 108 I N 0.874 121.417 120.570 -0.045 0.000 2.779 108 I HA 0.140 4.310 4.170 0.000 0.000 0.294 108 I C 0.501 176.568 176.117 -0.083 0.000 1.241 108 I CA -0.378 60.872 61.300 -0.084 0.000 1.069 108 I CB -0.093 37.822 38.000 -0.141 0.000 1.772 108 I HN 0.017 nan 8.210 nan 0.000 0.582 109 K N 3.776 124.163 120.400 -0.023 0.000 2.294 109 K HA 0.160 4.480 4.320 0.000 0.000 0.288 109 K C 0.471 177.074 176.600 0.004 0.000 1.072 109 K CA 0.032 56.334 56.287 0.023 0.000 0.960 109 K CB 0.345 32.871 32.500 0.043 0.000 1.043 109 K HN 0.437 nan 8.250 nan 0.000 0.455 110 T N -0.574 113.977 114.554 -0.005 0.000 2.912 110 T HA 0.256 4.606 4.350 0.000 0.000 0.280 110 T C 1.180 175.928 174.700 0.080 0.000 0.989 110 T CA -0.948 61.135 62.100 -0.029 0.000 0.995 110 T CB 1.689 70.457 68.868 -0.167 0.000 1.077 110 T HN 0.320 nan 8.240 nan 0.000 0.531 111 K N 0.334 120.768 120.400 0.056 0.000 2.097 111 K HA -0.028 4.292 4.320 0.000 0.000 0.205 111 K C 0.292 176.970 176.600 0.130 0.000 1.050 111 K CA 1.147 57.486 56.287 0.087 0.000 0.938 111 K CB -0.056 32.493 32.500 0.082 0.000 0.718 111 K HN 0.678 nan 8.250 nan 0.000 0.442 112 Q N -1.341 118.556 119.800 0.162 0.000 2.511 112 Q HA 0.428 4.768 4.340 0.000 0.000 0.289 112 Q C -0.882 175.347 176.000 0.382 0.000 1.021 112 Q CA -0.792 55.159 55.803 0.248 0.000 0.785 112 Q CB 0.517 29.348 28.738 0.155 0.000 1.472 112 Q HN -0.203 nan 8.270 nan 0.000 0.411 113 F N 0.025 119.955 119.950 -0.032 0.000 2.535 113 F HA 0.967 5.494 4.527 0.000 0.000 0.367 113 F C -0.204 175.582 175.800 -0.024 0.000 1.096 113 F CA -1.028 56.945 58.000 -0.045 0.000 1.088 113 F CB 1.503 40.483 39.000 -0.034 0.000 1.387 113 F HN 0.806 nan 8.300 nan 0.000 0.494 114 A N -0.190 122.725 122.820 0.157 0.000 2.566 114 A HA 0.715 5.035 4.320 0.000 0.000 0.297 114 A C -1.358 176.261 177.584 0.058 0.000 1.059 114 A CA -0.532 51.558 52.037 0.089 0.000 0.691 114 A CB 0.688 19.722 19.000 0.057 0.000 1.282 114 A HN 1.076 nan 8.150 nan 0.000 0.401 115 A N 1.404 124.257 122.820 0.055 0.000 2.520 115 A HA 0.444 4.764 4.320 0.000 0.000 0.245 115 A C 1.148 178.730 177.584 -0.002 0.000 1.072 115 A CA 0.337 52.400 52.037 0.044 0.000 0.761 115 A CB -0.545 18.494 19.000 0.065 0.000 1.004 115 A HN 1.828 nan 8.150 nan 0.000 0.499 116 I N -0.310 120.222 120.570 -0.063 0.000 2.928 116 I HA 0.029 4.199 4.170 0.000 0.000 0.266 116 I C 0.230 176.192 176.117 -0.257 0.000 1.234 116 I CA 0.459 61.654 61.300 -0.175 0.000 1.483 116 I CB -0.285 37.570 38.000 -0.240 0.000 1.097 116 I HN 0.521 nan 8.210 nan 0.000 0.455 117 H N 2.592 121.671 119.070 0.015 0.000 2.517 117 H HA 0.781 5.337 4.556 0.000 0.000 0.317 117 H C -0.450 174.883 175.328 0.009 0.000 1.080 117 H CA -0.229 55.827 56.048 0.013 0.000 1.301 117 H CB 1.523 31.293 29.762 0.013 0.000 1.425 117 H HN 0.416 nan 8.280 nan 0.000 0.471 118 A N 3.454 126.344 122.820 0.118 0.000 2.572 118 A HA 0.402 4.722 4.320 0.000 0.000 0.295 118 A C -0.385 177.232 177.584 0.056 0.000 1.072 118 A CA -0.968 51.109 52.037 0.067 0.000 0.691 118 A CB 1.757 20.777 19.000 0.033 0.000 1.291 118 A HN 0.570 nan 8.150 nan 0.000 0.404 119 E N 0.580 120.803 120.200 0.039 0.000 2.371 119 E HA 0.504 4.854 4.350 0.000 0.000 0.257 119 E C 0.387 177.001 176.600 0.023 0.000 1.134 119 E CA -0.076 56.343 56.400 0.032 0.000 0.919 119 E CB 1.107 30.822 29.700 0.026 0.000 1.025 119 E HN 0.808 nan 8.360 nan 0.000 0.438 120 A N 2.257 125.091 122.820 0.023 0.000 2.322 120 A HA 0.425 4.745 4.320 0.000 0.000 0.269 120 A C -2.104 175.489 177.584 0.015 0.000 1.094 120 A CA -1.287 50.758 52.037 0.014 0.000 0.807 120 A CB -0.495 18.516 19.000 0.018 0.000 1.047 120 A HN 0.318 nan 8.150 nan 0.000 0.487 121 P HA 0.017 nan 4.420 nan 0.000 0.264 121 P C -0.173 177.138 177.300 0.019 0.000 1.173 121 P CA 0.338 63.439 63.100 0.001 0.000 0.761 121 P CB 0.333 32.022 31.700 -0.019 0.000 0.794 122 E N 1.505 121.723 120.200 0.030 0.000 2.392 122 E HA 0.002 4.352 4.350 0.000 0.000 0.256 122 E C 0.869 177.526 176.600 0.094 0.000 1.145 122 E CA -0.288 56.154 56.400 0.070 0.000 0.929 122 E CB 0.120 29.860 29.700 0.067 0.000 0.998 122 E HN 0.408 nan 8.360 nan 0.000 0.442 123 F N 1.886 121.834 119.950 -0.004 0.000 2.154 123 F HA -0.245 4.282 4.527 0.000 0.000 0.301 123 F C 1.833 177.629 175.800 -0.006 0.000 1.087 123 F CA 1.750 59.747 58.000 -0.005 0.000 1.274 123 F CB -0.057 38.941 39.000 -0.004 0.000 1.009 123 F HN 0.274 nan 8.300 nan 0.000 0.485 124 V N -2.191 117.831 119.914 0.180 0.000 2.970 124 V HA -0.138 3.982 4.120 0.000 0.000 0.260 124 V C 1.417 177.503 176.094 -0.014 0.000 1.100 124 V CA 1.802 64.154 62.300 0.087 0.000 1.122 124 V CB -0.969 30.912 31.823 0.097 0.000 0.721 124 V HN 0.432 nan 8.190 nan 0.000 0.483 125 E N 0.007 120.189 120.200 -0.029 0.000 2.474 125 E HA 0.205 4.555 4.350 0.000 0.000 0.194 125 E C 0.466 177.015 176.600 -0.086 0.000 1.041 125 E CA -0.280 56.093 56.400 -0.046 0.000 0.874 125 E CB 0.013 29.697 29.700 -0.026 0.000 0.914 125 E HN 0.438 nan 8.360 nan 0.000 0.498 126 M N 1.235 120.745 119.600 -0.149 0.000 2.245 126 M HA 0.079 4.559 4.480 0.000 0.000 0.344 126 M C 0.545 176.749 176.300 -0.160 0.000 1.170 126 M CA -0.029 55.163 55.300 -0.180 0.000 1.135 126 M CB 0.791 33.207 32.600 -0.306 0.000 1.574 126 M HN -0.146 nan 8.290 nan 0.000 0.452 127 S N 1.256 116.883 115.700 -0.122 0.000 2.549 127 S HA 0.281 4.751 4.470 0.000 0.000 0.279 127 S C 1.062 175.591 174.600 -0.117 0.000 1.321 127 S CA -0.744 57.396 58.200 -0.100 0.000 1.054 127 S CB 0.477 63.631 63.200 -0.076 0.000 0.899 127 S HN 0.564 nan 8.310 nan 0.000 0.497 128 V N 1.473 121.326 119.914 -0.101 0.000 3.649 128 V HA 0.466 4.586 4.120 0.000 0.000 0.275 128 V C 0.410 176.464 176.094 -0.068 0.000 1.281 128 V CA 0.363 62.604 62.300 -0.098 0.000 1.143 128 V CB -0.820 30.956 31.823 -0.079 0.000 0.892 128 V HN 0.750 nan 8.190 nan 0.000 0.441 129 E N 0.205 120.370 120.200 -0.059 0.000 2.336 129 E HA 0.479 4.829 4.350 0.000 0.000 0.267 129 E C -0.952 175.622 176.600 -0.045 0.000 0.906 129 E CA -0.881 55.492 56.400 -0.045 0.000 0.781 129 E CB 1.601 31.280 29.700 -0.034 0.000 1.261 129 E HN 0.243 nan 8.360 nan 0.000 0.436 130 Q N 2.022 121.799 119.800 -0.038 0.000 2.390 130 Q HA 0.224 4.564 4.340 0.000 0.000 0.249 130 Q C -0.715 175.269 176.000 -0.027 0.000 0.996 130 Q CA 0.085 55.866 55.803 -0.036 0.000 0.899 130 Q CB 1.199 29.916 28.738 -0.035 0.000 1.216 130 Q HN 0.471 nan 8.270 nan 0.000 0.465 131 E N 1.717 121.901 120.200 -0.027 0.000 2.267 131 E HA 0.553 4.904 4.350 0.000 0.000 0.258 131 E C -0.442 176.152 176.600 -0.009 0.000 1.074 131 E CA -0.773 55.617 56.400 -0.017 0.000 0.915 131 E CB 1.896 31.583 29.700 -0.022 0.000 1.186 131 E HN 0.452 nan 8.360 nan 0.000 0.439 132 I N 1.336 121.909 120.570 0.006 0.000 2.530 132 I HA 0.282 4.452 4.170 0.000 0.000 0.297 132 I C -1.496 174.630 176.117 0.015 0.000 1.011 132 I CA -1.021 60.294 61.300 0.024 0.000 1.107 132 I CB 1.140 39.169 38.000 0.049 0.000 1.285 132 I HN 0.335 nan 8.210 nan 0.000 0.436 133 L N 8.722 129.956 121.223 0.019 0.000 2.287 133 L HA 0.381 4.721 4.340 0.000 0.000 0.280 133 L C -0.775 176.116 176.870 0.036 0.000 1.055 133 L CA -0.288 54.530 54.840 -0.037 0.000 0.863 133 L CB 0.954 42.981 42.059 -0.054 0.000 1.245 133 L HN 0.412 nan 8.230 nan 0.000 0.432 134 V N 4.493 124.474 119.914 0.112 0.000 2.493 134 V HA 0.041 4.161 4.120 0.000 0.000 0.292 134 V C 1.512 177.702 176.094 0.159 0.000 1.016 134 V CA 0.993 63.367 62.300 0.124 0.000 1.097 134 V CB 0.663 32.569 31.823 0.138 0.000 0.947 134 V HN 0.948 nan 8.190 nan 0.000 0.479 135 T N 0.328 114.882 114.554 0.001 0.000 3.022 135 T HA 0.258 4.608 4.350 0.000 0.000 0.250 135 T C 1.357 176.024 174.700 -0.055 0.000 1.060 135 T CA 0.538 62.614 62.100 -0.040 0.000 1.013 135 T CB 0.426 69.152 68.868 -0.237 0.000 0.982 135 T HN 1.484 nan 8.240 nan 0.000 0.508 136 G N 1.760 110.534 108.800 -0.043 0.000 2.160 136 G HA2 -0.188 3.772 3.960 0.000 0.000 0.244 136 G HA3 -0.188 3.772 3.960 0.000 0.000 0.244 136 G C -0.101 174.777 174.900 -0.037 0.000 1.022 136 G CA 0.133 45.209 45.100 -0.040 0.000 0.741 136 G HN 0.683 nan 8.290 nan 0.000 0.508 137 I N 0.002 120.542 120.570 -0.050 0.000 2.382 137 I HA 0.268 4.438 4.170 0.000 0.000 0.286 137 I C 1.477 177.590 176.117 -0.005 0.000 1.002 137 I CA -1.034 60.270 61.300 0.006 0.000 1.135 137 I CB 1.417 39.417 38.000 0.001 0.000 1.288 137 I HN -0.018 nan 8.210 nan 0.000 0.448 138 K N 3.526 123.932 120.400 0.009 0.000 2.015 138 K HA -0.203 4.117 4.320 0.000 0.000 0.216 138 K C 1.845 178.392 176.600 -0.090 0.000 1.052 138 K CA 1.956 58.229 56.287 -0.024 0.000 0.937 138 K CB -0.355 32.142 32.500 -0.004 0.000 0.719 138 K HN 0.636 nan 8.250 nan 0.000 0.446 139 V N 0.331 120.211 119.914 -0.057 0.000 2.252 139 V HA -0.265 3.855 4.120 0.000 0.000 0.249 139 V C 2.336 178.390 176.094 -0.066 0.000 1.056 139 V CA 1.947 64.200 62.300 -0.078 0.000 1.022 139 V CB -1.134 30.685 31.823 -0.008 0.000 0.641 139 V HN 0.067 nan 8.190 nan 0.000 0.445 140 V N 0.930 120.817 119.914 -0.045 0.000 2.237 140 V HA -0.230 3.890 4.120 0.000 0.000 0.245 140 V C 2.531 178.590 176.094 -0.057 0.000 1.046 140 V CA 2.469 64.728 62.300 -0.069 0.000 1.007 140 V CB -0.936 30.758 31.823 -0.215 0.000 0.638 140 V HN 0.511 nan 8.190 nan 0.000 0.445 141 D N -0.137 120.223 120.400 -0.066 0.000 2.149 141 D HA -0.159 4.481 4.640 0.000 0.000 0.198 141 D C 1.916 178.267 176.300 0.085 0.000 0.990 141 D CA 1.268 55.273 54.000 0.008 0.000 0.839 141 D CB -0.222 40.575 40.800 -0.005 0.000 0.948 141 D HN 0.360 nan 8.370 nan 0.000 0.460 142 L N -0.019 121.187 121.223 -0.029 0.000 2.034 142 L HA -0.012 4.328 4.340 0.000 0.000 0.203 142 L C 2.062 178.977 176.870 0.075 0.000 1.074 142 L CA 1.434 56.250 54.840 -0.040 0.000 0.748 142 L CB -0.300 41.535 42.059 -0.373 0.000 0.905 142 L HN -0.038 nan 8.230 nan 0.000 0.439 143 L N -0.966 120.235 121.223 -0.037 0.000 2.408 143 L HA 0.301 4.641 4.340 0.000 0.000 0.215 143 L C 0.615 177.489 176.870 0.006 0.000 1.081 143 L CA 0.515 55.334 54.840 -0.035 0.000 0.840 143 L CB -0.097 41.913 42.059 -0.081 0.000 1.002 143 L HN 0.322 nan 8.230 nan 0.000 0.468 144 A N 0.405 123.245 122.820 0.033 0.000 3.307 144 A HA 0.441 4.761 4.320 0.000 0.000 0.289 144 A C -2.673 174.982 177.584 0.119 0.000 1.138 144 A CA -0.817 51.260 52.037 0.067 0.000 0.860 144 A CB -0.115 18.932 19.000 0.078 0.000 1.318 144 A HN -0.171 nan 8.150 nan 0.000 0.551 145 P HA 0.132 nan 4.420 nan 0.000 0.268 145 P C -0.723 176.722 177.300 0.243 0.000 1.205 145 P CA 0.385 63.553 63.100 0.113 0.000 0.771 145 P CB 0.322 32.062 31.700 0.066 0.000 0.858 146 Y N 0.750 121.047 120.300 -0.005 0.000 2.425 146 Y HA 0.316 4.866 4.550 0.000 0.000 0.331 146 Y C 1.147 177.023 175.900 -0.040 0.000 1.157 146 Y CA -1.220 56.864 58.100 -0.028 0.000 1.372 146 Y CB -0.203 38.235 38.460 -0.036 0.000 1.253 146 Y HN 0.356 nan 8.280 nan 0.000 0.536 147 A N 4.686 127.545 122.820 0.064 0.000 2.276 147 A HA 0.306 4.626 4.320 0.000 0.000 0.300 147 A C 0.273 177.845 177.584 -0.021 0.000 1.235 147 A CA -0.962 51.079 52.037 0.007 0.000 0.867 147 A CB 0.003 18.989 19.000 -0.023 0.000 1.137 147 A HN 0.763 nan 8.150 nan 0.000 0.527 148 K N 2.071 122.455 120.400 -0.025 0.000 2.473 148 K HA 0.214 4.534 4.320 0.000 0.000 0.277 148 K C 1.183 177.744 176.600 -0.066 0.000 1.052 148 K CA 1.472 57.725 56.287 -0.056 0.000 1.114 148 K CB -0.163 32.300 32.500 -0.062 0.000 0.869 148 K HN 1.671 nan 8.250 nan 0.000 0.481 149 G N 2.578 111.330 108.800 -0.080 0.000 2.176 149 G HA2 -0.228 3.732 3.960 0.000 0.000 0.252 149 G HA3 -0.228 3.732 3.960 0.000 0.000 0.252 149 G C 0.247 175.096 174.900 -0.085 0.000 1.024 149 G CA 0.042 45.093 45.100 -0.081 0.000 0.755 149 G HN 0.930 nan 8.290 nan 0.000 0.507 150 G N -1.181 107.558 108.800 -0.101 0.000 2.820 150 G HA2 0.716 4.676 3.960 0.000 0.000 0.291 150 G HA3 0.716 4.676 3.960 0.000 0.000 0.291 150 G C -0.649 174.156 174.900 -0.158 0.000 1.323 150 G CA -0.895 44.139 45.100 -0.110 0.000 1.055 150 G HN 0.314 nan 8.290 nan 0.000 0.520 151 K N -0.528 119.777 120.400 -0.158 0.000 2.323 151 K HA 0.582 4.902 4.320 0.000 0.000 0.259 151 K C -1.064 175.386 176.600 -0.251 0.000 0.947 151 K CA -0.239 55.931 56.287 -0.195 0.000 0.819 151 K CB 2.005 34.427 32.500 -0.130 0.000 1.109 151 K HN 0.236 nan 8.250 nan 0.000 0.429 152 I N 1.523 121.890 120.570 -0.338 0.000 2.406 152 I HA 0.348 4.518 4.170 0.000 0.000 0.290 152 I C 0.487 176.434 176.117 -0.284 0.000 0.999 152 I CA -0.480 60.589 61.300 -0.385 0.000 1.124 152 I CB 2.134 39.684 38.000 -0.751 0.000 1.289 152 I HN 0.620 nan 8.210 nan 0.000 0.441 153 G N 6.118 114.779 108.800 -0.232 0.000 2.356 153 G HA2 0.436 4.396 3.960 0.000 0.000 0.300 153 G HA3 0.436 4.396 3.960 0.000 0.000 0.300 153 G C -0.623 174.117 174.900 -0.266 0.000 1.107 153 G CA -0.369 44.537 45.100 -0.322 0.000 0.960 153 G HN 0.483 nan 8.290 nan 0.000 0.418 154 L N 4.446 125.511 121.223 -0.264 0.000 2.356 154 L HA 0.509 4.849 4.340 0.000 0.000 0.282 154 L C -0.884 175.888 176.870 -0.163 0.000 1.132 154 L CA -1.209 53.581 54.840 -0.084 0.000 0.923 154 L CB -0.731 41.346 42.059 0.030 0.000 1.278 154 L HN 0.312 nan 8.230 nan 0.000 0.436 155 F N 4.230 124.224 119.950 0.073 0.000 2.424 155 F HA 0.632 5.159 4.527 0.000 0.000 0.356 155 F C 1.189 177.042 175.800 0.088 0.000 1.110 155 F CA 0.674 58.722 58.000 0.079 0.000 1.161 155 F CB 1.451 40.491 39.000 0.067 0.000 1.115 155 F HN 0.601 nan 8.300 nan 0.000 0.507 156 G N 0.905 109.844 108.800 0.232 0.000 3.482 156 G HA2 0.491 4.451 3.960 0.000 0.000 0.120 156 G HA3 0.491 4.451 3.960 0.000 0.000 0.120 156 G C 0.076 175.067 174.900 0.153 0.000 1.169 156 G CA 0.407 45.615 45.100 0.179 0.000 1.382 156 G HN 1.240 nan 8.290 nan 0.000 0.629 157 G N -0.614 108.269 108.800 0.139 0.000 2.434 157 G HA2 0.460 4.420 3.960 0.000 0.000 0.671 157 G HA3 0.460 4.420 3.960 0.000 0.000 0.671 157 G C 0.166 175.127 174.900 0.102 0.000 1.280 157 G CA 0.506 45.682 45.100 0.126 0.000 0.975 157 G HN 1.949 nan 8.290 nan 0.000 0.510 158 A N -1.012 121.859 122.820 0.085 0.000 2.310 158 A HA 0.777 5.097 4.320 0.000 0.000 0.260 158 A C 2.084 179.706 177.584 0.063 0.000 1.112 158 A CA 1.799 53.876 52.037 0.066 0.000 0.804 158 A CB -0.156 18.875 19.000 0.052 0.000 1.081 158 A HN 2.976 nan 8.150 nan 0.000 0.499 159 G N -2.114 106.715 108.800 0.049 0.000 2.168 159 G HA2 -0.111 3.849 3.960 0.000 0.000 0.257 159 G HA3 -0.111 3.849 3.960 0.000 0.000 0.257 159 G C 0.469 175.411 174.900 0.069 0.000 0.997 159 G CA 1.211 46.340 45.100 0.049 0.000 0.708 159 G HN 2.205 nan 8.290 nan 0.000 0.520 160 V N -4.238 115.724 119.914 0.080 0.000 3.111 160 V HA 0.706 4.826 4.120 0.000 0.000 0.343 160 V C 1.516 177.678 176.094 0.114 0.000 1.417 160 V CA 0.656 63.021 62.300 0.109 0.000 1.142 160 V CB 0.001 31.894 31.823 0.116 0.000 1.114 160 V HN 2.067 nan 8.190 nan 0.000 0.520 161 G N 1.625 110.468 108.800 0.072 0.000 2.143 161 G HA2 -0.386 3.574 3.960 0.000 0.000 0.248 161 G HA3 -0.386 3.574 3.960 0.000 0.000 0.248 161 G C 0.880 175.837 174.900 0.096 0.000 0.991 161 G CA 0.909 46.046 45.100 0.062 0.000 0.689 161 G HN 0.752 nan 8.290 nan 0.000 0.522 162 K N -0.186 120.270 120.400 0.093 0.000 2.020 162 K HA -0.157 4.163 4.320 0.000 0.000 0.212 162 K C 2.510 179.152 176.600 0.070 0.000 1.050 162 K CA 2.414 58.763 56.287 0.104 0.000 0.929 162 K CB -0.464 32.097 32.500 0.102 0.000 0.714 162 K HN 0.343 nan 8.250 nan 0.000 0.443 163 T N 0.457 115.026 114.554 0.026 0.000 2.788 163 T HA -0.098 4.252 4.350 0.000 0.000 0.268 163 T C 1.859 176.543 174.700 -0.026 0.000 1.044 163 T CA 1.284 63.366 62.100 -0.030 0.000 1.139 163 T CB -0.114 68.721 68.868 -0.055 0.000 0.867 163 T HN 0.032 nan 8.240 nan 0.000 0.454 164 V N 1.203 121.130 119.914 0.021 0.000 2.358 164 V HA -0.072 4.048 4.120 0.000 0.000 0.246 164 V C 2.342 178.532 176.094 0.160 0.000 1.047 164 V CA 1.092 63.438 62.300 0.077 0.000 1.035 164 V CB -0.545 31.326 31.823 0.080 0.000 0.658 164 V HN 0.313 nan 8.190 nan 0.000 0.452 165 L N -0.087 121.256 121.223 0.201 0.000 1.994 165 L HA -0.154 4.186 4.340 0.000 0.000 0.208 165 L C 2.170 179.080 176.870 0.067 0.000 1.071 165 L CA 1.966 56.929 54.840 0.205 0.000 0.745 165 L CB -0.494 41.714 42.059 0.248 0.000 0.892 165 L HN 0.209 nan 8.230 nan 0.000 0.431 166 I N -1.157 119.428 120.570 0.024 0.000 2.127 166 I HA -0.389 3.781 4.170 0.000 0.000 0.241 166 I C 2.521 178.534 176.117 -0.174 0.000 1.075 166 I CA 1.932 63.136 61.300 -0.160 0.000 1.334 166 I CB -0.337 37.402 38.000 -0.435 0.000 1.040 166 I HN 0.318 nan 8.210 nan 0.000 0.405 167 M N -0.223 119.288 119.600 -0.148 0.000 2.149 167 M HA -0.241 4.239 4.480 0.000 0.000 0.261 167 M C 2.223 178.485 176.300 -0.063 0.000 1.064 167 M CA 1.724 56.962 55.300 -0.103 0.000 1.102 167 M CB -0.518 32.035 32.600 -0.078 0.000 1.369 167 M HN 0.166 nan 8.290 nan 0.000 0.408 168 E N 0.958 121.092 120.200 -0.109 0.000 2.107 168 E HA -0.073 4.277 4.350 0.000 0.000 0.191 168 E C 1.817 178.317 176.600 -0.168 0.000 0.982 168 E CA 0.958 57.216 56.400 -0.237 0.000 0.809 168 E CB -0.202 29.091 29.700 -0.679 0.000 0.756 168 E HN 0.444 nan 8.360 nan 0.000 0.459 169 L N 0.089 121.284 121.223 -0.046 0.000 2.017 169 L HA -0.161 4.179 4.340 0.000 0.000 0.208 169 L C 2.439 179.410 176.870 0.169 0.000 1.073 169 L CA 1.177 56.080 54.840 0.104 0.000 0.745 169 L CB -0.369 41.907 42.059 0.362 0.000 0.894 169 L HN 0.241 nan 8.230 nan 0.000 0.432 170 I N 0.037 120.743 120.570 0.228 0.000 2.118 170 I HA -0.382 3.788 4.170 0.000 0.000 0.241 170 I C 2.307 178.491 176.117 0.111 0.000 1.070 170 I CA 2.096 63.525 61.300 0.215 0.000 1.327 170 I CB -0.413 37.687 38.000 0.167 0.000 1.034 170 I HN 0.416 nan 8.210 nan 0.000 0.405 171 N N 0.891 119.619 118.700 0.046 0.000 2.120 171 N HA -0.198 4.542 4.740 0.000 0.000 0.188 171 N C 1.601 177.115 175.510 0.008 0.000 1.024 171 N CA 1.563 54.624 53.050 0.018 0.000 0.852 171 N CB 0.002 38.482 38.487 -0.012 0.000 1.003 171 N HN 0.188 nan 8.380 nan 0.000 0.424 172 N N -0.335 118.358 118.700 -0.012 0.000 2.270 172 N HA -0.054 4.686 4.740 0.000 0.000 0.181 172 N C 1.488 177.009 175.510 0.018 0.000 1.016 172 N CA 0.575 53.608 53.050 -0.029 0.000 0.870 172 N CB -0.249 38.197 38.487 -0.068 0.000 0.979 172 N HN 0.106 nan 8.380 nan 0.000 0.431 173 V N 0.945 120.920 119.914 0.102 0.000 2.453 173 V HA -0.077 4.043 4.120 0.000 0.000 0.247 173 V C 2.242 178.421 176.094 0.141 0.000 1.048 173 V CA 1.538 63.973 62.300 0.225 0.000 1.049 173 V CB -0.779 31.160 31.823 0.195 0.000 0.672 173 V HN 0.272 nan 8.190 nan 0.000 0.457 174 A N 0.012 122.887 122.820 0.091 0.000 1.877 174 A HA -0.236 4.084 4.320 0.000 0.000 0.216 174 A C 2.280 179.873 177.584 0.016 0.000 1.186 174 A CA 2.036 54.116 52.037 0.071 0.000 0.620 174 A CB -0.350 18.713 19.000 0.105 0.000 0.822 174 A HN 0.548 nan 8.150 nan 0.000 0.443 175 K N -0.564 119.830 120.400 -0.011 0.000 2.007 175 K HA 0.105 4.425 4.320 0.000 0.000 0.206 175 K C 2.015 178.548 176.600 -0.113 0.000 1.047 175 K CA 1.051 57.310 56.287 -0.047 0.000 0.937 175 K CB -0.239 32.236 32.500 -0.043 0.000 0.718 175 K HN 0.369 nan 8.250 nan 0.000 0.438 176 A N 0.722 123.415 122.820 -0.213 0.000 2.238 176 A HA -0.046 4.274 4.320 0.000 0.000 0.208 176 A C 0.730 177.914 177.584 -0.667 0.000 1.177 176 A CA 0.738 52.513 52.037 -0.437 0.000 0.804 176 A CB -0.230 18.435 19.000 -0.559 0.000 0.823 176 A HN 0.340 nan 8.150 nan 0.000 0.482 177 H N -3.127 115.921 119.070 -0.035 0.000 3.854 177 H HA 0.179 4.735 4.556 0.000 0.000 0.264 177 H C 1.504 176.783 175.328 -0.081 0.000 1.170 177 H CA 0.438 56.457 56.048 -0.049 0.000 1.167 177 H CB 0.101 29.838 29.762 -0.042 0.000 1.558 177 H HN 0.603 nan 8.280 nan 0.000 0.751 178 G N 1.271 110.065 108.800 -0.010 0.000 2.189 178 G HA2 -0.265 3.696 3.960 0.000 0.000 0.267 178 G HA3 -0.265 3.696 3.960 0.000 0.000 0.267 178 G C 0.793 175.544 174.900 -0.248 0.000 0.975 178 G CA 0.406 45.437 45.100 -0.114 0.000 0.644 178 G HN 0.694 nan 8.290 nan 0.000 0.537 179 G N -0.617 108.100 108.800 -0.138 0.000 2.395 179 G HA2 0.579 4.540 3.960 0.000 0.000 0.283 179 G HA3 0.579 4.540 3.960 0.000 0.000 0.283 179 G C -0.056 174.756 174.900 -0.147 0.000 1.178 179 G CA -0.549 44.427 45.100 -0.207 0.000 0.837 179 G HN 0.165 nan 8.290 nan 0.000 0.518 180 Y N 0.345 120.540 120.300 -0.177 0.000 2.344 180 Y HA 0.601 5.151 4.550 0.000 0.000 0.330 180 Y C 1.037 176.941 175.900 0.006 0.000 1.330 180 Y CA -1.146 56.844 58.100 -0.184 0.000 1.479 180 Y CB 1.183 39.307 38.460 -0.561 0.000 1.428 180 Y HN 0.404 nan 8.280 nan 0.000 0.544 181 S N -0.468 115.400 115.700 0.279 0.000 2.570 181 S HA 0.757 5.227 4.470 0.000 0.000 0.286 181 S C -1.363 173.427 174.600 0.317 0.000 1.099 181 S CA -0.734 57.641 58.200 0.292 0.000 0.913 181 S CB 1.896 65.306 63.200 0.350 0.000 1.085 181 S HN 0.270 nan 8.310 nan 0.000 0.480 182 V N 2.475 122.578 119.914 0.315 0.000 2.735 182 V HA 0.579 4.699 4.120 0.000 0.000 0.310 182 V C -1.294 175.025 176.094 0.374 0.000 1.061 182 V CA -0.728 61.740 62.300 0.279 0.000 0.913 182 V CB 1.637 33.568 31.823 0.180 0.000 1.005 182 V HN 0.840 nan 8.190 nan 0.000 0.428 183 F N 3.512 123.560 119.950 0.164 0.000 2.403 183 F HA 0.771 5.298 4.527 0.000 0.000 0.355 183 F C 0.230 176.103 175.800 0.122 0.000 1.119 183 F CA -0.568 57.540 58.000 0.180 0.000 1.007 183 F CB 1.158 40.222 39.000 0.106 0.000 1.194 183 F HN 0.566 nan 8.300 nan 0.000 0.443 184 A N 4.666 127.316 122.820 -0.284 0.000 2.341 184 A HA 0.581 4.901 4.320 0.000 0.000 0.326 184 A C 0.274 177.642 177.584 -0.359 0.000 1.402 184 A CA -0.290 51.636 52.037 -0.186 0.000 0.957 184 A CB -0.105 18.815 19.000 -0.133 0.000 1.151 184 A HN 1.019 nan 8.150 nan 0.000 0.533 185 G N 2.079 110.869 108.800 -0.017 0.000 2.770 185 G HA2 0.449 4.409 3.960 0.000 0.000 0.307 185 G HA3 0.449 4.409 3.960 0.000 0.000 0.307 185 G C -0.146 174.783 174.900 0.048 0.000 0.863 185 G CA -0.175 44.969 45.100 0.073 0.000 1.595 185 G HN 0.650 nan 8.290 nan 0.000 0.496 186 V N 2.318 122.225 119.914 -0.011 0.000 2.397 186 V HA 0.491 4.611 4.120 0.000 0.000 0.262 186 V C 1.303 177.410 176.094 0.023 0.000 1.047 186 V CA 0.505 62.822 62.300 0.028 0.000 1.003 186 V CB 0.166 32.022 31.823 0.055 0.000 1.037 186 V HN 1.203 nan 8.190 nan 0.000 0.480 187 G N 3.398 112.207 108.800 0.015 0.000 2.368 187 G HA2 -0.180 3.780 3.960 0.000 0.000 0.290 187 G HA3 -0.180 3.780 3.960 0.000 0.000 0.290 187 G C -0.132 174.756 174.900 -0.020 0.000 1.098 187 G CA -0.409 44.689 45.100 -0.003 0.000 1.073 187 G HN 0.632 nan 8.290 nan 0.000 0.511 188 E N 0.365 120.533 120.200 -0.052 0.000 2.259 188 E HA 0.216 4.566 4.350 0.000 0.000 0.281 188 E C 1.156 177.682 176.600 -0.124 0.000 1.037 188 E CA -0.383 55.943 56.400 -0.123 0.000 0.854 188 E CB 0.513 30.013 29.700 -0.333 0.000 1.051 188 E HN 0.557 nan 8.360 nan 0.000 0.409 189 R N 2.450 122.892 120.500 -0.096 0.000 2.316 189 R HA 0.105 4.445 4.340 0.000 0.000 0.314 189 R C 1.306 177.544 176.300 -0.102 0.000 1.069 189 R CA -0.138 55.918 56.100 -0.073 0.000 0.959 189 R CB 0.230 30.505 30.300 -0.043 0.000 0.987 189 R HN 0.448 nan 8.270 nan 0.000 0.446 190 T N 2.289 116.795 114.554 -0.080 0.000 2.649 190 T HA -0.291 4.059 4.350 0.000 0.000 0.268 190 T C 1.789 176.467 174.700 -0.037 0.000 1.036 190 T CA 1.769 63.830 62.100 -0.065 0.000 1.157 190 T CB -0.191 68.664 68.868 -0.022 0.000 0.861 190 T HN 0.588 nan 8.240 nan 0.000 0.445 191 R N 1.186 121.675 120.500 -0.018 0.000 2.083 191 R HA -0.149 4.191 4.340 0.000 0.000 0.237 191 R C 2.115 178.416 176.300 0.003 0.000 1.137 191 R CA 1.968 58.070 56.100 0.004 0.000 0.951 191 R CB -0.248 30.055 30.300 0.004 0.000 0.851 191 R HN 0.530 nan 8.270 nan 0.000 0.434 192 E N -1.152 119.034 120.200 -0.024 0.000 2.418 192 E HA -0.059 4.291 4.350 0.000 0.000 0.197 192 E C 1.643 178.215 176.600 -0.048 0.000 1.026 192 E CA 0.677 57.063 56.400 -0.023 0.000 0.862 192 E CB 0.098 29.786 29.700 -0.021 0.000 0.799 192 E HN 0.607 nan 8.360 nan 0.000 0.518 193 G N 1.195 109.927 108.800 -0.113 0.000 2.492 193 G HA2 -0.223 3.737 3.960 0.000 0.000 0.214 193 G HA3 -0.223 3.737 3.960 0.000 0.000 0.214 193 G C 1.431 176.395 174.900 0.107 0.000 1.147 193 G CA 0.404 45.388 45.100 -0.193 0.000 0.809 193 G HN 0.158 nan 8.290 nan 0.000 0.533 194 N N 1.058 119.829 118.700 0.118 0.000 2.142 194 N HA -0.089 4.651 4.740 0.000 0.000 0.186 194 N C 1.610 177.306 175.510 0.310 0.000 1.023 194 N CA 1.644 54.841 53.050 0.245 0.000 0.852 194 N CB -0.133 38.480 38.487 0.210 0.000 0.998 194 N HN 0.083 nan 8.380 nan 0.000 0.424 195 D N 0.066 120.576 120.400 0.184 0.000 2.117 195 D HA -0.132 4.508 4.640 0.000 0.000 0.197 195 D C 1.919 178.296 176.300 0.129 0.000 0.987 195 D CA 0.691 54.783 54.000 0.152 0.000 0.829 195 D CB -0.444 40.397 40.800 0.069 0.000 0.961 195 D HN 0.345 nan 8.370 nan 0.000 0.460 196 L N -0.189 121.084 121.223 0.084 0.000 2.201 196 L HA -0.145 4.195 4.340 0.000 0.000 0.212 196 L C 2.170 179.074 176.870 0.058 0.000 1.105 196 L CA 1.171 56.019 54.840 0.014 0.000 0.775 196 L CB -0.310 41.708 42.059 -0.069 0.000 0.913 196 L HN -0.051 nan 8.230 nan 0.000 0.440 197 Y N 0.727 121.003 120.300 -0.039 0.000 2.060 197 Y HA -0.300 4.250 4.550 0.000 0.000 0.276 197 Y C 2.557 178.361 175.900 -0.161 0.000 1.127 197 Y CA 2.229 60.245 58.100 -0.140 0.000 1.104 197 Y CB -1.097 37.233 38.460 -0.215 0.000 0.983 197 Y HN 0.377 nan 8.280 nan 0.000 0.483 198 H N -0.421 118.600 119.070 -0.082 0.000 2.460 198 H HA -0.135 4.421 4.556 0.000 0.000 0.297 198 H C 2.196 177.468 175.328 -0.094 0.000 1.103 198 H CA 1.612 57.552 56.048 -0.180 0.000 1.292 198 H CB -0.033 29.681 29.762 -0.081 0.000 1.376 198 H HN 0.514 nan 8.280 nan 0.000 0.531 199 E N 0.156 120.388 120.200 0.054 0.000 2.072 199 E HA -0.130 4.220 4.350 0.000 0.000 0.190 199 E C 1.952 178.542 176.600 -0.017 0.000 0.982 199 E CA 0.598 57.011 56.400 0.022 0.000 0.803 199 E CB 0.071 29.767 29.700 -0.005 0.000 0.755 199 E HN 0.426 nan 8.360 nan 0.000 0.453 200 M N 0.174 119.743 119.600 -0.051 0.000 2.132 200 M HA -0.148 4.332 4.480 0.000 0.000 0.263 200 M C 2.102 178.361 176.300 -0.069 0.000 1.065 200 M CA 1.182 56.442 55.300 -0.067 0.000 1.122 200 M CB -0.084 32.472 32.600 -0.072 0.000 1.365 200 M HN 0.186 nan 8.290 nan 0.000 0.411 201 I N -0.112 120.387 120.570 -0.118 0.000 2.099 201 I HA -0.335 3.835 4.170 0.000 0.000 0.239 201 I C 2.326 178.415 176.117 -0.046 0.000 1.066 201 I CA 1.586 62.811 61.300 -0.124 0.000 1.324 201 I CB -0.461 37.405 38.000 -0.223 0.000 1.037 201 I HN 0.327 nan 8.210 nan 0.000 0.401 202 E N 0.480 120.678 120.200 -0.004 0.000 2.070 202 E HA -0.285 4.065 4.350 0.000 0.000 0.197 202 E C 2.262 178.900 176.600 0.062 0.000 1.004 202 E CA 2.088 58.518 56.400 0.050 0.000 0.805 202 E CB -0.060 29.718 29.700 0.129 0.000 0.744 202 E HN 0.563 nan 8.360 nan 0.000 0.451 203 S N -1.452 114.278 115.700 0.050 0.000 2.423 203 S HA -0.020 4.450 4.470 0.000 0.000 0.231 203 S C 1.704 176.317 174.600 0.022 0.000 1.014 203 S CA 1.114 59.344 58.200 0.050 0.000 0.965 203 S CB 0.309 63.523 63.200 0.023 0.000 0.785 203 S HN 0.476 nan 8.310 nan 0.000 0.495 204 G N 0.253 109.051 108.800 -0.003 0.000 2.194 204 G HA2 -0.323 3.637 3.960 0.000 0.000 0.236 204 G HA3 -0.323 3.637 3.960 0.000 0.000 0.236 204 G C 0.895 175.783 174.900 -0.021 0.000 0.987 204 G CA 0.437 45.528 45.100 -0.014 0.000 0.635 204 G HN 1.475 nan 8.290 nan 0.000 0.520 205 V N -1.104 118.798 119.914 -0.021 0.000 3.186 205 V HA 0.405 4.525 4.120 0.000 0.000 0.270 205 V C 1.142 177.216 176.094 -0.033 0.000 1.149 205 V CA 1.386 63.673 62.300 -0.021 0.000 1.160 205 V CB -0.399 31.412 31.823 -0.020 0.000 0.758 205 V HN 0.507 nan 8.190 nan 0.000 0.516 206 I N 0.802 121.346 120.570 -0.043 0.000 2.689 206 I HA 0.533 4.703 4.170 0.000 0.000 0.299 206 I C -0.802 175.280 176.117 -0.058 0.000 1.059 206 I CA -0.533 60.739 61.300 -0.047 0.000 1.055 206 I CB 2.113 40.091 38.000 -0.038 0.000 1.243 206 I HN 0.144 nan 8.210 nan 0.000 0.425 207 N N 4.888 123.556 118.700 -0.053 0.000 2.397 207 N HA 0.377 5.117 4.740 0.000 0.000 0.291 207 N C -0.177 175.306 175.510 -0.045 0.000 1.065 207 N CA -0.411 52.608 53.050 -0.052 0.000 0.884 207 N CB 2.408 40.870 38.487 -0.042 0.000 1.551 207 N HN 0.558 nan 8.380 nan 0.000 0.487 208 L N 2.264 123.457 121.223 -0.050 0.000 2.375 208 L HA 0.106 4.446 4.340 0.000 0.000 0.215 208 L C 1.779 178.635 176.870 -0.022 0.000 1.108 208 L CA 0.684 55.504 54.840 -0.034 0.000 0.830 208 L CB 0.143 42.173 42.059 -0.048 0.000 0.959 208 L HN 0.430 nan 8.230 nan 0.000 0.457 209 K N 0.437 120.822 120.400 -0.025 0.000 2.079 209 K HA 0.008 4.329 4.320 0.000 0.000 0.214 209 K C 0.621 177.211 176.600 -0.017 0.000 1.024 209 K CA 0.555 56.831 56.287 -0.018 0.000 0.948 209 K CB -0.198 32.291 32.500 -0.018 0.000 0.830 209 K HN 0.202 nan 8.250 nan 0.000 0.452 210 D N 0.059 120.448 120.400 -0.019 0.000 2.113 210 D HA 0.055 4.695 4.640 0.000 0.000 0.255 210 D C -0.090 176.196 176.300 -0.024 0.000 1.225 210 D CA -0.123 53.867 54.000 -0.017 0.000 0.972 210 D CB 0.198 40.989 40.800 -0.016 0.000 1.208 210 D HN 0.247 nan 8.370 nan 0.000 0.526 211 A N -1.178 121.626 122.820 -0.025 0.000 2.749 211 A HA 0.349 4.669 4.320 0.000 0.000 0.299 211 A C 0.835 178.387 177.584 -0.053 0.000 1.105 211 A CA -0.007 52.007 52.037 -0.038 0.000 0.987 211 A CB -0.700 18.285 19.000 -0.025 0.000 1.180 211 A HN 0.554 nan 8.150 nan 0.000 0.528 212 T N -2.288 112.238 114.554 -0.047 0.000 3.086 212 T HA 0.134 4.484 4.350 0.000 0.000 0.250 212 T C 0.637 175.294 174.700 -0.071 0.000 1.074 212 T CA 0.417 62.490 62.100 -0.045 0.000 0.988 212 T CB -0.466 68.389 68.868 -0.022 0.000 0.988 212 T HN 0.246 nan 8.240 nan 0.000 0.530 213 S N 2.043 117.685 115.700 -0.096 0.000 2.546 213 S HA 0.187 4.657 4.470 0.000 0.000 0.290 213 S C 0.770 175.264 174.600 -0.177 0.000 1.290 213 S CA -0.526 57.611 58.200 -0.106 0.000 1.069 213 S CB 1.018 64.162 63.200 -0.093 0.000 0.846 213 S HN 0.501 nan 8.310 nan 0.000 0.495 214 K N 0.810 121.148 120.400 -0.104 0.000 2.361 214 K HA 0.163 4.484 4.320 0.000 0.000 0.194 214 K C -0.274 176.303 176.600 -0.038 0.000 1.032 214 K CA 0.225 56.464 56.287 -0.080 0.000 1.048 214 K CB 0.315 32.842 32.500 0.044 0.000 0.842 214 K HN 0.440 nan 8.250 nan 0.000 0.526 215 V N 0.960 120.859 119.914 -0.025 0.000 2.555 215 V HA 0.626 4.746 4.120 0.000 0.000 0.302 215 V C -0.508 175.599 176.094 0.021 0.000 1.038 215 V CA -1.360 60.965 62.300 0.041 0.000 0.887 215 V CB 1.517 33.365 31.823 0.043 0.000 0.991 215 V HN 0.071 nan 8.190 nan 0.000 0.434 216 A N 5.083 127.952 122.820 0.082 0.000 2.330 216 A HA 0.918 5.238 4.320 0.000 0.000 0.327 216 A C -0.826 176.780 177.584 0.037 0.000 1.155 216 A CA -0.607 51.455 52.037 0.042 0.000 0.803 216 A CB 0.922 19.971 19.000 0.082 0.000 1.208 216 A HN 0.836 nan 8.150 nan 0.000 0.477 217 L N 2.429 123.607 121.223 -0.076 0.000 2.322 217 L HA 0.621 4.961 4.340 0.000 0.000 0.281 217 L C -0.942 175.806 176.870 -0.203 0.000 1.014 217 L CA -0.965 53.790 54.840 -0.142 0.000 0.815 217 L CB 1.838 43.643 42.059 -0.424 0.000 1.247 217 L HN 0.393 nan 8.230 nan 0.000 0.421 218 V N 2.716 122.585 119.914 -0.075 0.000 2.444 218 V HA 0.416 4.536 4.120 0.000 0.000 0.294 218 V C -1.007 175.170 176.094 0.138 0.000 1.022 218 V CA -0.611 61.666 62.300 -0.038 0.000 0.850 218 V CB 1.533 33.354 31.823 -0.003 0.000 0.992 218 V HN 0.377 nan 8.190 nan 0.000 0.426 219 Y N 2.246 122.562 120.300 0.027 0.000 2.335 219 Y HA 0.707 5.257 4.550 0.000 0.000 0.338 219 Y C 0.733 176.642 175.900 0.015 0.000 0.977 219 Y CA -1.591 56.531 58.100 0.037 0.000 1.114 219 Y CB 2.277 40.749 38.460 0.020 0.000 1.182 219 Y HN 0.671 nan 8.280 nan 0.000 0.463 220 G N 4.245 113.145 108.800 0.166 0.000 2.873 220 G HA2 0.386 4.346 3.960 0.000 0.000 0.340 220 G HA3 0.386 4.346 3.960 0.000 0.000 0.340 220 G C -0.519 174.400 174.900 0.031 0.000 1.171 220 G CA -0.592 44.554 45.100 0.077 0.000 1.113 220 G HN 0.575 nan 8.290 nan 0.000 0.471 221 Q N 1.342 121.153 119.800 0.019 0.000 2.454 221 Q HA 0.197 4.537 4.340 0.000 0.000 0.247 221 Q C 1.545 177.536 176.000 -0.016 0.000 1.028 221 Q CA -0.193 55.596 55.803 -0.023 0.000 0.910 221 Q CB 1.421 30.145 28.738 -0.023 0.000 1.276 221 Q HN 0.528 nan 8.270 nan 0.000 0.489 222 M N 1.222 120.806 119.600 -0.027 0.000 2.213 222 M HA -0.204 4.276 4.480 0.000 0.000 0.263 222 M C 1.227 177.519 176.300 -0.013 0.000 1.062 222 M CA 1.348 56.637 55.300 -0.019 0.000 1.105 222 M CB -0.250 32.337 32.600 -0.021 0.000 1.385 222 M HN 0.622 nan 8.290 nan 0.000 0.417 223 N N 0.183 118.877 118.700 -0.010 0.000 2.272 223 N HA -0.111 4.629 4.740 0.000 0.000 0.185 223 N C 0.092 175.601 175.510 -0.002 0.000 1.014 223 N CA 0.677 53.724 53.050 -0.005 0.000 0.870 223 N CB -0.280 38.206 38.487 -0.001 0.000 0.975 223 N HN 0.543 nan 8.380 nan 0.000 0.433 224 E N 1.617 121.817 120.200 -0.000 0.000 2.390 224 E HA 0.137 4.487 4.350 0.000 0.000 0.261 224 E C -2.192 174.407 176.600 -0.001 0.000 1.076 224 E CA -1.753 54.649 56.400 0.003 0.000 0.905 224 E CB 0.349 30.055 29.700 0.010 0.000 0.984 224 E HN 0.087 nan 8.360 nan 0.000 0.427 225 P HA -0.082 nan 4.420 nan 0.000 0.270 225 P C -2.054 175.240 177.300 -0.009 0.000 1.221 225 P CA -0.879 62.219 63.100 -0.004 0.000 0.788 225 P CB -0.157 31.544 31.700 0.001 0.000 0.904 226 P HA -0.197 nan 4.420 nan 0.000 0.215 226 P C 1.605 178.888 177.300 -0.028 0.000 1.157 226 P CA 2.166 65.248 63.100 -0.031 0.000 0.874 226 P CB -0.723 30.954 31.700 -0.037 0.000 0.790 227 G N 0.167 108.959 108.800 -0.013 0.000 2.469 227 G HA2 -0.273 3.687 3.960 0.000 0.000 0.220 227 G HA3 -0.273 3.687 3.960 0.000 0.000 0.220 227 G C 1.751 176.656 174.900 0.007 0.000 1.136 227 G CA 1.261 46.361 45.100 -0.001 0.000 0.759 227 G HN 0.395 nan 8.290 nan 0.000 0.562 228 A N 0.915 123.739 122.820 0.008 0.000 1.873 228 A HA 0.035 4.355 4.320 0.000 0.000 0.215 228 A C 2.432 180.026 177.584 0.016 0.000 1.186 228 A CA 1.464 53.510 52.037 0.015 0.000 0.616 228 A CB -0.339 18.671 19.000 0.016 0.000 0.823 228 A HN 0.365 nan 8.150 nan 0.000 0.442 229 R N -0.295 120.208 120.500 0.005 0.000 2.237 229 R HA 0.037 4.377 4.340 0.000 0.000 0.219 229 R C 2.143 178.451 176.300 0.013 0.000 1.080 229 R CA 0.868 56.974 56.100 0.010 0.000 0.995 229 R CB -0.339 29.957 30.300 -0.007 0.000 0.875 229 R HN 0.501 nan 8.270 nan 0.000 0.462 230 A N 0.935 123.744 122.820 -0.019 0.000 1.970 230 A HA -0.023 4.297 4.320 0.000 0.000 0.216 230 A C 1.796 179.410 177.584 0.050 0.000 1.170 230 A CA 0.741 52.739 52.037 -0.065 0.000 0.645 230 A CB 0.098 19.034 19.000 -0.107 0.000 0.816 230 A HN 0.027 nan 8.150 nan 0.000 0.447 231 R N -0.155 120.378 120.500 0.056 0.000 2.223 231 R HA 0.035 4.375 4.340 0.000 0.000 0.198 231 R C 2.000 178.325 176.300 0.041 0.000 0.984 231 R CA 1.193 57.325 56.100 0.053 0.000 1.018 231 R CB -1.430 28.880 30.300 0.018 0.000 0.945 231 R HN 0.522 nan 8.270 nan 0.000 0.479 232 V N -0.536 119.409 119.914 0.053 0.000 2.324 232 V HA -0.185 3.935 4.120 0.000 0.000 0.250 232 V C 2.350 178.451 176.094 0.011 0.000 1.060 232 V CA 1.860 64.179 62.300 0.032 0.000 1.042 232 V CB -1.404 30.448 31.823 0.048 0.000 0.650 232 V HN 0.163 nan 8.190 nan 0.000 0.450 233 A N 0.842 123.685 122.820 0.038 0.000 1.940 233 A HA -0.091 4.229 4.320 0.000 0.000 0.219 233 A C 2.272 179.805 177.584 -0.084 0.000 1.176 233 A CA 2.265 54.262 52.037 -0.067 0.000 0.631 233 A CB -0.629 18.251 19.000 -0.200 0.000 0.814 233 A HN 0.594 nan 8.150 nan 0.000 0.446 234 L N -0.989 120.210 121.223 -0.040 0.000 2.027 234 L HA -0.144 4.196 4.340 0.000 0.000 0.206 234 L C 2.790 179.600 176.870 -0.099 0.000 1.074 234 L CA 1.793 56.581 54.840 -0.085 0.000 0.745 234 L CB -1.394 40.586 42.059 -0.132 0.000 0.898 234 L HN 0.345 nan 8.230 nan 0.000 0.433 235 T N 0.112 114.615 114.554 -0.085 0.000 2.665 235 T HA -0.175 4.175 4.350 0.000 0.000 0.268 235 T C 1.858 176.514 174.700 -0.075 0.000 1.035 235 T CA 1.569 63.621 62.100 -0.081 0.000 1.151 235 T CB -0.694 68.139 68.868 -0.059 0.000 0.862 235 T HN 0.568 nan 8.240 nan 0.000 0.438 236 G N 1.201 109.965 108.800 -0.060 0.000 2.422 236 G HA2 -0.118 3.842 3.960 0.000 0.000 0.218 236 G HA3 -0.118 3.842 3.960 0.000 0.000 0.218 236 G C 1.515 176.382 174.900 -0.055 0.000 1.146 236 G CA 0.668 45.739 45.100 -0.048 0.000 0.769 236 G HN 0.406 nan 8.290 nan 0.000 0.547 237 L N 1.330 122.509 121.223 -0.075 0.000 2.046 237 L HA -0.001 4.339 4.340 0.000 0.000 0.208 237 L C 2.878 179.710 176.870 -0.063 0.000 1.077 237 L CA 2.554 57.348 54.840 -0.076 0.000 0.747 237 L CB -1.112 40.888 42.059 -0.099 0.000 0.896 237 L HN 0.206 nan 8.230 nan 0.000 0.432 238 T N -1.037 113.474 114.554 -0.071 0.000 2.684 238 T HA -0.203 4.147 4.350 0.000 0.000 0.267 238 T C 2.010 176.665 174.700 -0.076 0.000 1.036 238 T CA 1.734 63.795 62.100 -0.064 0.000 1.148 238 T CB -0.692 68.132 68.868 -0.073 0.000 0.863 238 T HN 0.212 nan 8.240 nan 0.000 0.436 239 V N 1.913 121.765 119.914 -0.104 0.000 2.231 239 V HA -0.248 3.872 4.120 0.000 0.000 0.248 239 V C 2.965 178.957 176.094 -0.170 0.000 1.054 239 V CA 1.946 64.145 62.300 -0.168 0.000 1.015 239 V CB -1.358 30.388 31.823 -0.129 0.000 0.638 239 V HN 0.586 nan 8.190 nan 0.000 0.444 240 A N -0.468 122.327 122.820 -0.042 0.000 1.908 240 A HA -0.286 4.034 4.320 0.000 0.000 0.218 240 A C 2.127 179.730 177.584 0.031 0.000 1.181 240 A CA 2.099 54.168 52.037 0.054 0.000 0.627 240 A CB -0.589 18.441 19.000 0.051 0.000 0.818 240 A HN 0.677 nan 8.150 nan 0.000 0.445 241 E N -1.746 118.447 120.200 -0.012 0.000 2.160 241 E HA -0.235 4.115 4.350 0.000 0.000 0.195 241 E C 1.791 178.376 176.600 -0.026 0.000 0.991 241 E CA 1.390 57.781 56.400 -0.015 0.000 0.810 241 E CB -0.351 29.336 29.700 -0.023 0.000 0.742 241 E HN 0.829 nan 8.360 nan 0.000 0.466 242 Y N 0.481 120.673 120.300 -0.180 0.000 2.165 242 Y HA -0.262 4.288 4.550 0.000 0.000 0.286 242 Y C 1.704 177.527 175.900 -0.129 0.000 1.155 242 Y CA 1.566 59.534 58.100 -0.220 0.000 1.164 242 Y CB -0.157 38.070 38.460 -0.389 0.000 0.978 242 Y HN -0.059 nan 8.280 nan 0.000 0.513 243 F N 0.098 120.128 119.950 0.134 0.000 2.407 243 F HA 0.036 4.563 4.527 0.000 0.000 0.299 243 F C 2.568 178.324 175.800 -0.074 0.000 1.097 243 F CA 1.218 59.248 58.000 0.050 0.000 1.422 243 F CB -0.659 38.431 39.000 0.150 0.000 1.067 243 F HN 0.049 nan 8.300 nan 0.000 0.539 244 R N 0.203 120.755 120.500 0.087 0.000 2.100 244 R HA -0.062 4.278 4.340 0.000 0.000 0.220 244 R C 1.301 177.570 176.300 -0.053 0.000 1.091 244 R CA 1.429 57.536 56.100 0.011 0.000 0.986 244 R CB -0.061 30.240 30.300 0.002 0.000 0.888 244 R HN 0.072 nan 8.270 nan 0.000 0.444 245 D N 0.046 120.384 120.400 -0.103 0.000 2.197 245 D HA -0.059 4.581 4.640 0.000 0.000 0.212 245 D C 1.760 177.957 176.300 -0.173 0.000 0.963 245 D CA 0.834 54.761 54.000 -0.121 0.000 0.864 245 D CB 0.041 40.776 40.800 -0.108 0.000 1.009 245 D HN 0.183 nan 8.370 nan 0.000 0.479 246 Q N 0.166 119.769 119.800 -0.327 0.000 2.402 246 Q HA 0.112 4.452 4.340 0.000 0.000 0.206 246 Q C 0.643 176.503 176.000 -0.233 0.000 0.919 246 Q CA 0.555 56.138 55.803 -0.366 0.000 0.923 246 Q CB 0.738 29.019 28.738 -0.762 0.000 1.048 246 Q HN 0.439 nan 8.270 nan 0.000 0.515 247 E N -0.551 119.552 120.200 -0.162 0.000 2.759 247 E HA 0.188 4.538 4.350 0.000 0.000 0.220 247 E C 0.256 176.829 176.600 -0.044 0.000 0.974 247 E CA 0.044 56.415 56.400 -0.048 0.000 1.148 247 E CB 1.023 30.756 29.700 0.056 0.000 1.059 247 E HN 0.331 nan 8.360 nan 0.000 0.493 248 G N 2.569 111.337 108.800 -0.053 0.000 2.380 248 G HA2 -0.363 3.597 3.960 0.000 0.000 0.298 248 G HA3 -0.363 3.597 3.960 0.000 0.000 0.298 248 G C 0.255 175.127 174.900 -0.046 0.000 0.989 248 G CA 0.821 45.894 45.100 -0.046 0.000 0.836 248 G HN 0.277 nan 8.290 nan 0.000 0.511 249 Q N -0.393 119.382 119.800 -0.041 0.000 2.471 249 Q HA 0.301 4.641 4.340 0.000 0.000 0.223 249 Q C -0.458 175.513 176.000 -0.048 0.000 1.045 249 Q CA -0.165 55.592 55.803 -0.076 0.000 0.956 249 Q CB 0.651 29.305 28.738 -0.139 0.000 1.249 249 Q HN 0.221 nan 8.270 nan 0.000 0.549 250 D N 1.565 121.925 120.400 -0.068 0.000 2.499 250 D HA 0.200 4.840 4.640 0.000 0.000 0.225 250 D C -0.545 175.724 176.300 -0.052 0.000 1.124 250 D CA -0.071 53.885 54.000 -0.073 0.000 0.938 250 D CB 0.735 41.459 40.800 -0.127 0.000 1.014 250 D HN 0.156 nan 8.370 nan 0.000 0.517 251 V N 1.534 121.447 119.914 -0.003 0.000 3.133 251 V HA 0.221 4.341 4.120 0.000 0.000 0.305 251 V C 0.300 176.391 176.094 -0.006 0.000 1.084 251 V CA -0.640 61.690 62.300 0.050 0.000 1.089 251 V CB 1.272 33.183 31.823 0.147 0.000 1.073 251 V HN 0.264 nan 8.190 nan 0.000 0.477 252 L N 3.168 124.398 121.223 0.012 0.000 2.356 252 L HA 0.646 4.986 4.340 0.000 0.000 0.277 252 L C -0.874 175.922 176.870 -0.123 0.000 0.996 252 L CA -0.333 54.444 54.840 -0.105 0.000 0.822 252 L CB 1.422 43.428 42.059 -0.089 0.000 1.256 252 L HN 0.648 nan 8.230 nan 0.000 0.413 253 L N 5.025 126.107 121.223 -0.236 0.000 2.325 253 L HA 0.623 4.964 4.340 0.000 0.000 0.281 253 L C -1.414 175.266 176.870 -0.316 0.000 1.004 253 L CA 0.096 54.839 54.840 -0.163 0.000 0.823 253 L CB 1.047 43.035 42.059 -0.119 0.000 1.236 253 L HN 0.396 nan 8.230 nan 0.000 0.415 254 F N 5.883 125.813 119.950 -0.034 0.000 2.410 254 F HA 0.521 5.048 4.527 0.000 0.000 0.349 254 F C 0.104 175.731 175.800 -0.288 0.000 1.117 254 F CA -0.208 57.733 58.000 -0.098 0.000 1.104 254 F CB 1.161 40.193 39.000 0.054 0.000 1.122 254 F HN 0.269 nan 8.300 nan 0.000 0.483 255 I N 3.240 123.740 120.570 -0.117 0.000 2.382 255 I HA 0.224 4.394 4.170 0.000 0.000 0.285 255 I C -0.995 175.020 176.117 -0.169 0.000 1.007 255 I CA -0.406 60.769 61.300 -0.207 0.000 1.142 255 I CB 1.290 39.165 38.000 -0.209 0.000 1.289 255 I HN 0.408 nan 8.210 nan 0.000 0.453 256 D N 6.126 126.365 120.400 -0.269 0.000 2.453 256 D HA 0.303 4.943 4.640 0.000 0.000 0.238 256 D C -0.959 175.314 176.300 -0.045 0.000 1.088 256 D CA -0.413 53.519 54.000 -0.112 0.000 0.854 256 D CB 0.856 41.622 40.800 -0.056 0.000 1.076 256 D HN 0.586 nan 8.370 nan 0.000 0.533 257 N N 2.319 121.036 118.700 0.028 0.000 2.265 257 N HA 0.237 4.977 4.740 0.000 0.000 0.300 257 N C 0.458 176.028 175.510 0.100 0.000 1.148 257 N CA -0.784 52.304 53.050 0.064 0.000 0.772 257 N CB 1.130 39.694 38.487 0.128 0.000 1.434 257 N HN 0.125 nan 8.380 nan 0.000 0.481 258 I N 0.538 121.156 120.570 0.081 0.000 2.264 258 I HA -0.077 4.093 4.170 0.000 0.000 0.248 258 I C 1.466 177.719 176.117 0.226 0.000 1.111 258 I CA 1.162 62.522 61.300 0.100 0.000 1.382 258 I CB -0.594 37.414 38.000 0.014 0.000 1.060 258 I HN 0.734 nan 8.210 nan 0.000 0.418 259 F N 1.402 121.445 119.950 0.154 0.000 2.126 259 F HA -0.213 4.314 4.527 0.000 0.000 0.299 259 F C 2.509 178.412 175.800 0.173 0.000 1.096 259 F CA 1.694 59.812 58.000 0.197 0.000 1.255 259 F CB -0.385 38.779 39.000 0.273 0.000 0.997 259 F HN -0.040 nan 8.300 nan 0.000 0.479 260 R N -1.042 119.466 120.500 0.013 0.000 2.237 260 R HA -0.133 4.207 4.340 0.000 0.000 0.219 260 R C 2.110 178.368 176.300 -0.070 0.000 1.080 260 R CA 1.205 57.252 56.100 -0.088 0.000 0.995 260 R CB -0.629 29.688 30.300 0.028 0.000 0.875 260 R HN 0.443 nan 8.270 nan 0.000 0.462 261 F N 1.055 120.929 119.950 -0.125 0.000 2.128 261 F HA -0.128 4.399 4.527 0.000 0.000 0.295 261 F C 2.024 177.754 175.800 -0.116 0.000 1.100 261 F CA 1.464 59.405 58.000 -0.098 0.000 1.260 261 F CB -0.421 38.535 39.000 -0.074 0.000 1.009 261 F HN -0.200 nan 8.300 nan 0.000 0.476 262 T N 0.823 115.248 114.554 -0.214 0.000 2.622 262 T HA -0.212 4.138 4.350 0.000 0.000 0.266 262 T C 1.883 176.417 174.700 -0.277 0.000 1.047 262 T CA 1.700 63.638 62.100 -0.271 0.000 1.159 262 T CB -0.333 68.456 68.868 -0.133 0.000 0.863 262 T HN 0.262 nan 8.240 nan 0.000 0.422 263 Q N 0.808 120.381 119.800 -0.378 0.000 2.077 263 Q HA -0.086 4.254 4.340 0.000 0.000 0.206 263 Q C 2.678 178.560 176.000 -0.197 0.000 0.989 263 Q CA 1.782 57.413 55.803 -0.286 0.000 0.853 263 Q CB -0.874 27.640 28.738 -0.373 0.000 0.907 263 Q HN 0.592 nan 8.270 nan 0.000 0.418 264 A N 0.505 123.197 122.820 -0.213 0.000 1.972 264 A HA -0.085 4.235 4.320 0.000 0.000 0.219 264 A C 2.313 179.780 177.584 -0.195 0.000 1.169 264 A CA 1.756 53.689 52.037 -0.173 0.000 0.635 264 A CB -0.894 18.012 19.000 -0.157 0.000 0.810 264 A HN 0.465 nan 8.150 nan 0.000 0.446 265 G N -1.145 107.486 108.800 -0.283 0.000 2.394 265 G HA2 -0.091 3.869 3.960 0.000 0.000 0.215 265 G HA3 -0.091 3.869 3.960 0.000 0.000 0.215 265 G C 1.822 176.646 174.900 -0.127 0.000 1.165 265 G CA 1.147 46.097 45.100 -0.251 0.000 0.784 265 G HN 0.467 nan 8.290 nan 0.000 0.535 266 S N 0.572 116.216 115.700 -0.093 0.000 2.356 266 S HA -0.100 4.371 4.470 0.000 0.000 0.223 266 S C 2.259 176.823 174.600 -0.061 0.000 1.032 266 S CA 1.585 59.757 58.200 -0.046 0.000 1.005 266 S CB -0.207 62.962 63.200 -0.052 0.000 0.867 266 S HN 0.613 nan 8.310 nan 0.000 0.449 267 E N 0.439 120.594 120.200 -0.076 0.000 2.051 267 E HA -0.113 4.237 4.350 0.000 0.000 0.192 267 E C 2.133 178.703 176.600 -0.049 0.000 0.991 267 E CA 1.315 57.679 56.400 -0.061 0.000 0.799 267 E CB -0.301 29.362 29.700 -0.062 0.000 0.748 267 E HN 0.273 nan 8.360 nan 0.000 0.449 268 V N 1.140 121.020 119.914 -0.057 0.000 2.287 268 V HA -0.285 3.835 4.120 0.000 0.000 0.248 268 V C 2.485 178.560 176.094 -0.033 0.000 1.053 268 V CA 1.967 64.242 62.300 -0.042 0.000 1.027 268 V CB -0.555 31.239 31.823 -0.049 0.000 0.646 268 V HN 0.270 nan 8.190 nan 0.000 0.447 269 S N -0.367 115.310 115.700 -0.037 0.000 2.359 269 S HA -0.235 4.235 4.470 0.000 0.000 0.224 269 S C 2.174 176.763 174.600 -0.019 0.000 1.035 269 S CA 1.750 59.936 58.200 -0.024 0.000 1.018 269 S CB -0.415 62.773 63.200 -0.019 0.000 0.876 269 S HN 0.636 nan 8.310 nan 0.000 0.448 270 A N 1.718 124.523 122.820 -0.024 0.000 1.873 270 A HA -0.067 4.253 4.320 0.000 0.000 0.218 270 A C 2.211 179.785 177.584 -0.017 0.000 1.193 270 A CA 1.790 53.813 52.037 -0.022 0.000 0.629 270 A CB -1.000 17.982 19.000 -0.030 0.000 0.826 270 A HN 0.595 nan 8.150 nan 0.000 0.447 271 L N -0.880 120.332 121.223 -0.017 0.000 2.131 271 L HA -0.142 4.198 4.340 0.000 0.000 0.210 271 L C 2.105 178.971 176.870 -0.007 0.000 1.092 271 L CA 0.876 55.709 54.840 -0.012 0.000 0.759 271 L CB -0.577 41.475 42.059 -0.012 0.000 0.903 271 L HN 0.349 nan 8.230 nan 0.000 0.435 272 L N -0.096 121.123 121.223 -0.007 0.000 2.610 272 L HA 0.075 4.415 4.340 0.000 0.000 0.232 272 L C 1.509 178.379 176.870 -0.001 0.000 1.149 272 L CA 0.559 55.398 54.840 -0.002 0.000 0.872 272 L CB -0.559 41.499 42.059 -0.002 0.000 0.992 272 L HN 0.497 nan 8.230 nan 0.000 0.447 273 G N 0.357 109.155 108.800 -0.003 0.000 2.159 273 G HA2 -0.296 3.665 3.960 0.000 0.000 0.256 273 G HA3 -0.296 3.665 3.960 0.000 0.000 0.256 273 G C 0.354 175.253 174.900 -0.001 0.000 0.977 273 G CA -0.212 44.887 45.100 -0.002 0.000 0.652 273 G HN 0.380 nan 8.290 nan 0.000 0.531 274 R N -0.266 120.232 120.500 -0.002 0.000 2.543 274 R HA 0.468 4.808 4.340 0.000 0.000 0.277 274 R C 0.987 177.287 176.300 0.001 0.000 1.074 274 R CA -0.419 55.681 56.100 0.000 0.000 1.076 274 R CB 0.690 30.990 30.300 0.000 0.000 0.993 274 R HN 0.339 nan 8.270 nan 0.000 0.459 275 I N 4.766 125.338 120.570 0.004 0.000 2.618 275 I HA 0.032 4.202 4.170 0.000 0.000 0.284 275 I C -1.777 174.346 176.117 0.009 0.000 1.146 275 I CA -1.580 59.723 61.300 0.005 0.000 1.425 275 I CB 0.488 38.492 38.000 0.007 0.000 1.383 275 I HN 0.286 nan 8.210 nan 0.000 0.562 276 P HA 0.134 nan 4.420 nan 0.000 0.274 276 P C -0.507 176.810 177.300 0.028 0.000 1.231 276 P CA -0.397 62.711 63.100 0.013 0.000 0.790 276 P CB 1.008 32.705 31.700 -0.005 0.000 0.951 277 S N 1.310 117.042 115.700 0.054 0.000 2.623 277 S HA 0.725 5.195 4.470 0.000 0.000 0.287 277 S C 0.046 174.699 174.600 0.088 0.000 1.123 277 S CA -0.635 57.605 58.200 0.066 0.000 1.016 277 S CB -0.002 63.241 63.200 0.072 0.000 1.233 277 S HN 0.510 nan 8.310 nan 0.000 0.512 278 A N 0.313 123.194 122.820 0.102 0.000 2.587 278 A HA 0.407 4.728 4.320 0.000 0.000 0.235 278 A C 1.135 178.827 177.584 0.181 0.000 1.044 278 A CA 0.222 52.328 52.037 0.114 0.000 0.754 278 A CB -1.246 17.813 19.000 0.100 0.000 0.968 278 A HN 1.861 nan 8.150 nan 0.000 0.509 279 V N 1.200 121.184 119.914 0.117 0.000 3.292 279 V HA -0.320 3.800 4.120 0.000 0.000 0.184 279 V C 1.819 177.862 176.094 -0.085 0.000 0.459 279 V CA 1.736 64.084 62.300 0.080 0.000 1.088 279 V CB -2.521 29.437 31.823 0.225 0.000 1.239 279 V HN 2.941 nan 8.190 nan 0.000 1.148 280 G N -2.829 105.936 108.800 -0.058 0.000 2.159 280 G HA2 -0.337 3.623 3.960 0.000 0.000 0.256 280 G HA3 -0.337 3.623 3.960 0.000 0.000 0.256 280 G C -0.137 174.646 174.900 -0.195 0.000 0.977 280 G CA 0.380 45.397 45.100 -0.139 0.000 0.652 280 G HN 0.858 nan 8.290 nan 0.000 0.531 281 Y N 1.346 121.657 120.300 0.019 0.000 2.281 281 Y HA 0.441 4.991 4.550 0.000 0.000 0.337 281 Y C 1.386 177.283 175.900 -0.006 0.000 1.304 281 Y CA -0.074 58.029 58.100 0.005 0.000 1.465 281 Y CB 0.385 38.856 38.460 0.019 0.000 1.350 281 Y HN 0.387 nan 8.280 nan 0.000 0.575 282 Q N 2.313 122.211 119.800 0.163 0.000 2.364 282 Q HA 0.092 4.432 4.340 0.000 0.000 0.267 282 Q C -2.316 173.728 176.000 0.073 0.000 0.999 282 Q CA -1.674 54.173 55.803 0.074 0.000 0.886 282 Q CB 0.852 29.610 28.738 0.034 0.000 1.243 282 Q HN 0.367 nan 8.270 nan 0.000 0.415 283 P HA -0.124 nan 4.420 nan 0.000 0.219 283 P C 0.845 178.164 177.300 0.032 0.000 1.146 283 P CA 1.631 64.754 63.100 0.038 0.000 0.808 283 P CB -0.125 31.590 31.700 0.024 0.000 0.779 284 T N -3.906 110.663 114.554 0.025 0.000 3.273 284 T HA 0.179 4.529 4.350 0.000 0.000 0.254 284 T C 1.284 175.997 174.700 0.022 0.000 1.002 284 T CA -0.412 61.699 62.100 0.020 0.000 0.913 284 T CB -0.841 68.032 68.868 0.008 0.000 1.056 284 T HN -0.173 nan 8.240 nan 0.000 0.576 285 L N 2.184 123.423 121.223 0.028 0.000 1.963 285 L HA -0.043 4.297 4.340 0.000 0.000 0.220 285 L C 2.749 179.640 176.870 0.036 0.000 1.076 285 L CA 2.479 57.328 54.840 0.016 0.000 0.772 285 L CB -1.247 40.807 42.059 -0.009 0.000 0.892 285 L HN 0.393 nan 8.230 nan 0.000 0.435 286 A N -1.699 121.148 122.820 0.046 0.000 1.940 286 A HA -0.228 4.092 4.320 0.000 0.000 0.219 286 A C 2.299 179.939 177.584 0.093 0.000 1.176 286 A CA 2.574 54.659 52.037 0.080 0.000 0.631 286 A CB -1.323 17.716 19.000 0.064 0.000 0.814 286 A HN 0.700 nan 8.150 nan 0.000 0.446 287 T N -2.578 112.015 114.554 0.065 0.000 2.851 287 T HA -0.100 4.250 4.350 0.000 0.000 0.262 287 T C 1.383 176.125 174.700 0.070 0.000 1.043 287 T CA 1.249 63.387 62.100 0.062 0.000 1.140 287 T CB -0.466 68.427 68.868 0.041 0.000 0.872 287 T HN 0.323 nan 8.240 nan 0.000 0.446 288 D N 0.972 121.408 120.400 0.060 0.000 2.158 288 D HA -0.071 4.569 4.640 0.000 0.000 0.197 288 D C 1.889 178.299 176.300 0.184 0.000 0.995 288 D CA 1.201 55.246 54.000 0.075 0.000 0.846 288 D CB -0.329 40.459 40.800 -0.021 0.000 0.941 288 D HN 0.380 nan 8.370 nan 0.000 0.456 289 M N 0.183 119.882 119.600 0.164 0.000 2.160 289 M HA 0.111 4.591 4.480 0.000 0.000 0.264 289 M C 1.979 178.245 176.300 -0.057 0.000 1.073 289 M CA 1.683 57.068 55.300 0.141 0.000 1.142 289 M CB -0.457 32.213 32.600 0.117 0.000 1.358 289 M HN -0.040 nan 8.290 nan 0.000 0.422 290 G N -1.021 107.798 108.800 0.031 0.000 2.422 290 G HA2 -0.216 3.744 3.960 0.000 0.000 0.218 290 G HA3 -0.216 3.744 3.960 0.000 0.000 0.218 290 G C 1.455 176.365 174.900 0.015 0.000 1.146 290 G CA 1.478 46.609 45.100 0.052 0.000 0.769 290 G HN 0.592 nan 8.290 nan 0.000 0.547 291 T N -1.677 112.902 114.554 0.042 0.000 2.915 291 T HA -0.001 4.349 4.350 0.000 0.000 0.269 291 T C 2.186 176.898 174.700 0.020 0.000 1.071 291 T CA 1.356 63.482 62.100 0.044 0.000 1.132 291 T CB -0.080 68.829 68.868 0.068 0.000 0.878 291 T HN 0.146 nan 8.240 nan 0.000 0.479 292 M N 0.518 120.115 119.600 -0.004 0.000 2.191 292 M HA 0.042 4.522 4.480 0.000 0.000 0.262 292 M C 2.280 178.483 176.300 -0.162 0.000 1.083 292 M CA 1.315 56.570 55.300 -0.076 0.000 1.154 292 M CB -0.636 31.883 32.600 -0.135 0.000 1.344 292 M HN 0.125 nan 8.290 nan 0.000 0.431 293 Q N 0.743 120.393 119.800 -0.250 0.000 2.135 293 Q HA -0.169 4.171 4.340 0.000 0.000 0.204 293 Q C 1.713 177.628 176.000 -0.142 0.000 0.981 293 Q CA 1.375 57.001 55.803 -0.296 0.000 0.856 293 Q CB -0.542 27.804 28.738 -0.653 0.000 0.902 293 Q HN 0.572 nan 8.270 nan 0.000 0.425 294 E N 0.347 120.505 120.200 -0.071 0.000 2.409 294 E HA -0.113 4.237 4.350 0.000 0.000 0.198 294 E C 1.752 178.337 176.600 -0.025 0.000 1.024 294 E CA 0.329 56.726 56.400 -0.004 0.000 0.861 294 E CB -0.037 29.683 29.700 0.035 0.000 0.788 294 E HN 0.315 nan 8.360 nan 0.000 0.521 295 R N 0.122 120.593 120.500 -0.048 0.000 2.236 295 R HA 0.105 4.445 4.340 0.000 0.000 0.208 295 R C 0.819 177.084 176.300 -0.059 0.000 1.036 295 R CA 0.310 56.383 56.100 -0.046 0.000 1.001 295 R CB 0.139 30.410 30.300 -0.048 0.000 0.896 295 R HN 0.069 nan 8.270 nan 0.000 0.464 296 I N 2.194 122.718 120.570 -0.077 0.000 2.281 296 I HA 0.127 4.297 4.170 0.000 0.000 0.293 296 I C -0.151 175.925 176.117 -0.068 0.000 1.085 296 I CA -0.019 61.231 61.300 -0.084 0.000 1.257 296 I CB 0.735 38.665 38.000 -0.118 0.000 1.430 296 I HN 0.105 nan 8.210 nan 0.000 0.489 297 T N 0.416 114.933 114.554 -0.062 0.000 2.661 297 T HA 0.282 4.632 4.350 0.000 0.000 0.305 297 T C -0.399 174.265 174.700 -0.061 0.000 1.441 297 T CA -0.880 61.185 62.100 -0.059 0.000 0.999 297 T CB 1.405 70.242 68.868 -0.053 0.000 1.650 297 T HN 0.202 nan 8.240 nan 0.000 0.489 298 T N 2.649 117.165 114.554 -0.063 0.000 2.733 298 T HA 0.638 4.988 4.350 0.000 0.000 0.294 298 T C 0.680 175.342 174.700 -0.063 0.000 0.956 298 T CA -0.442 61.621 62.100 -0.063 0.000 0.987 298 T CB 0.744 69.573 68.868 -0.064 0.000 0.920 298 T HN 0.949 nan 8.240 nan 0.000 0.470 299 T N 0.614 115.134 114.554 -0.056 0.000 2.892 299 T HA 0.433 4.784 4.350 0.000 0.000 0.280 299 T C 1.088 175.757 174.700 -0.051 0.000 1.004 299 T CA -0.908 61.159 62.100 -0.054 0.000 0.950 299 T CB 1.032 69.873 68.868 -0.046 0.000 1.309 299 T HN 0.386 nan 8.240 nan 0.000 0.592 300 K N -0.063 120.310 120.400 -0.046 0.000 2.459 300 K HA 0.130 4.450 4.320 0.000 0.000 0.193 300 K C 1.725 178.303 176.600 -0.037 0.000 1.030 300 K CA 0.437 56.700 56.287 -0.040 0.000 1.026 300 K CB 0.092 32.571 32.500 -0.035 0.000 0.809 300 K HN 0.503 nan 8.250 nan 0.000 0.504 301 K N -0.340 120.037 120.400 -0.039 0.000 2.370 301 K HA 0.142 4.463 4.320 0.000 0.000 0.194 301 K C 0.852 177.427 176.600 -0.041 0.000 1.070 301 K CA 0.253 56.517 56.287 -0.039 0.000 0.998 301 K CB 1.302 33.777 32.500 -0.043 0.000 0.911 301 K HN 0.145 nan 8.250 nan 0.000 0.533 302 G N 0.660 109.434 108.800 -0.043 0.000 2.392 302 G HA2 0.267 4.227 3.960 0.000 0.000 0.260 302 G HA3 0.267 4.227 3.960 0.000 0.000 0.260 302 G C -1.572 173.299 174.900 -0.048 0.000 1.226 302 G CA -0.177 44.896 45.100 -0.044 0.000 0.913 302 G HN 0.102 nan 8.290 nan 0.000 0.483 303 S N -1.427 114.244 115.700 -0.049 0.000 2.567 303 S HA 0.720 5.190 4.470 0.000 0.000 0.270 303 S C -1.492 173.077 174.600 -0.051 0.000 1.152 303 S CA -0.790 57.376 58.200 -0.055 0.000 0.835 303 S CB 1.519 64.677 63.200 -0.069 0.000 1.115 303 S HN 0.993 nan 8.310 nan 0.000 0.459 304 I N 2.025 122.560 120.570 -0.058 0.000 2.382 304 I HA 0.387 4.557 4.170 0.000 0.000 0.286 304 I C -0.467 175.591 176.117 -0.097 0.000 1.002 304 I CA -0.446 60.816 61.300 -0.063 0.000 1.135 304 I CB 2.090 40.056 38.000 -0.057 0.000 1.288 304 I HN 0.652 nan 8.210 nan 0.000 0.448 305 T N 3.956 118.440 114.554 -0.116 0.000 2.795 305 T HA 0.282 4.632 4.350 0.000 0.000 0.282 305 T C -0.153 174.414 174.700 -0.223 0.000 0.980 305 T CA -0.422 61.587 62.100 -0.153 0.000 1.012 305 T CB 1.450 70.245 68.868 -0.122 0.000 0.936 305 T HN 0.488 nan 8.240 nan 0.000 0.457 306 S N 2.339 117.888 115.700 -0.252 0.000 2.498 306 S HA 0.532 5.002 4.470 0.000 0.000 0.317 306 S C -0.450 173.942 174.600 -0.348 0.000 1.090 306 S CA -0.620 57.401 58.200 -0.299 0.000 1.089 306 S CB 0.633 63.691 63.200 -0.237 0.000 0.997 306 S HN 0.483 nan 8.310 nan 0.000 0.470 307 V N 6.562 126.228 119.914 -0.413 0.000 2.318 307 V HA 0.368 4.488 4.120 0.000 0.000 0.271 307 V C -0.327 175.679 176.094 -0.147 0.000 1.030 307 V CA -0.333 61.786 62.300 -0.303 0.000 0.844 307 V CB 1.114 32.799 31.823 -0.229 0.000 1.015 307 V HN 0.829 nan 8.190 nan 0.000 0.460 308 Q N 3.941 123.643 119.800 -0.163 0.000 2.348 308 Q HA 0.657 4.997 4.340 0.000 0.000 0.265 308 Q C -0.025 175.902 176.000 -0.121 0.000 0.998 308 Q CA -0.504 55.218 55.803 -0.134 0.000 0.831 308 Q CB 2.105 30.740 28.738 -0.172 0.000 1.251 308 Q HN 0.808 nan 8.270 nan 0.000 0.456 309 A N 4.248 127.040 122.820 -0.047 0.000 2.488 309 A HA 0.364 4.684 4.320 0.000 0.000 0.249 309 A C -0.249 177.293 177.584 -0.070 0.000 1.083 309 A CA 0.005 52.019 52.037 -0.038 0.000 0.768 309 A CB -0.025 19.004 19.000 0.049 0.000 1.017 309 A HN 0.748 nan 8.150 nan 0.000 0.496 310 I N 2.007 122.460 120.570 -0.194 0.000 2.474 310 I HA 0.296 4.466 4.170 0.000 0.000 0.294 310 I C -0.799 175.335 176.117 0.028 0.000 1.005 310 I CA -0.571 60.645 61.300 -0.139 0.000 1.113 310 I CB 1.744 39.487 38.000 -0.427 0.000 1.289 310 I HN 0.725 nan 8.210 nan 0.000 0.436 311 Y N 6.359 126.686 120.300 0.044 0.000 2.328 311 Y HA 0.560 5.110 4.550 0.000 0.000 0.337 311 Y C -0.831 174.992 175.900 -0.128 0.000 0.966 311 Y CA -0.806 57.277 58.100 -0.029 0.000 1.136 311 Y CB 1.414 39.833 38.460 -0.069 0.000 1.170 311 Y HN 0.262 nan 8.280 nan 0.000 0.470 312 V N 9.366 128.905 119.914 -0.625 0.000 2.320 312 V HA 0.290 4.410 4.120 0.000 0.000 0.265 312 V C -2.129 173.507 176.094 -0.764 0.000 1.048 312 V CA -2.077 59.945 62.300 -0.463 0.000 0.865 312 V CB 0.353 32.079 31.823 -0.160 0.000 1.043 312 V HN 0.722 nan 8.190 nan 0.000 0.474 313 P HA 0.022 nan 4.420 nan 0.000 0.261 313 P C 0.740 177.932 177.300 -0.180 0.000 1.173 313 P CA 0.995 63.899 63.100 -0.328 0.000 0.760 313 P CB 0.490 32.158 31.700 -0.053 0.000 0.783 314 A N 3.868 126.622 122.820 -0.111 0.000 2.799 314 A HA -0.277 4.043 4.320 0.000 0.000 0.274 314 A C 1.052 178.584 177.584 -0.086 0.000 1.393 314 A CA 1.339 53.341 52.037 -0.057 0.000 0.909 314 A CB -2.454 16.538 19.000 -0.014 0.000 1.012 314 A HN 0.625 nan 8.150 nan 0.000 0.653 315 D N -1.722 118.587 120.400 -0.152 0.000 3.039 315 D HA -0.195 4.445 4.640 0.000 0.000 0.222 315 D C -0.173 176.066 176.300 -0.101 0.000 1.179 315 D CA 1.909 55.834 54.000 -0.125 0.000 0.880 315 D CB -1.058 39.694 40.800 -0.080 0.000 1.115 315 D HN 0.905 nan 8.370 nan 0.000 0.416 316 D N 0.423 120.765 120.400 -0.097 0.000 2.411 316 D HA 0.227 4.868 4.640 0.000 0.000 0.225 316 D C 1.518 177.756 176.300 -0.102 0.000 1.156 316 D CA -0.339 53.614 54.000 -0.078 0.000 0.874 316 D CB 0.292 41.068 40.800 -0.040 0.000 1.034 316 D HN 0.128 nan 8.370 nan 0.000 0.502 317 L N 2.440 123.581 121.223 -0.137 0.000 2.275 317 L HA -0.110 4.230 4.340 0.000 0.000 0.215 317 L C 2.219 178.940 176.870 -0.248 0.000 1.119 317 L CA 1.308 56.010 54.840 -0.230 0.000 0.790 317 L CB -0.199 41.695 42.059 -0.276 0.000 0.919 317 L HN 0.477 nan 8.230 nan 0.000 0.443 318 T N -4.838 109.626 114.554 -0.151 0.000 3.129 318 T HA -0.030 4.320 4.350 0.000 0.000 0.251 318 T C 0.530 175.188 174.700 -0.069 0.000 1.117 318 T CA -0.401 61.630 62.100 -0.116 0.000 1.034 318 T CB -0.403 68.418 68.868 -0.078 0.000 0.968 318 T HN 0.136 nan 8.240 nan 0.000 0.526 319 D N 2.559 122.931 120.400 -0.047 0.000 2.472 319 D HA 0.129 4.769 4.640 0.000 0.000 0.237 319 D C -1.345 174.938 176.300 -0.028 0.000 1.141 319 D CA -1.579 52.433 54.000 0.020 0.000 0.875 319 D CB 1.133 41.977 40.800 0.074 0.000 1.192 319 D HN -0.021 nan 8.370 nan 0.000 0.450 320 P HA -0.265 nan 4.420 nan 0.000 0.218 320 P C 0.641 177.750 177.300 -0.319 0.000 1.152 320 P CA 1.852 64.838 63.100 -0.188 0.000 0.857 320 P CB 0.064 31.644 31.700 -0.201 0.000 0.787 321 A N 0.148 122.737 122.820 -0.385 0.000 1.835 321 A HA -0.123 4.197 4.320 0.000 0.000 0.215 321 A C 0.064 177.691 177.584 0.071 0.000 1.199 321 A CA 2.336 54.279 52.037 -0.156 0.000 0.615 321 A CB -2.247 16.902 19.000 0.249 0.000 0.838 321 A HN 0.219 nan 8.150 nan 0.000 0.444 322 P HA -0.124 nan 4.420 nan 0.000 0.216 322 P C 1.569 178.906 177.300 0.062 0.000 1.153 322 P CA 2.050 65.242 63.100 0.154 0.000 0.848 322 P CB -0.210 31.510 31.700 0.033 0.000 0.787 323 A N -0.282 122.486 122.820 -0.087 0.000 1.972 323 A HA -0.118 4.202 4.320 0.000 0.000 0.219 323 A C 2.344 179.959 177.584 0.050 0.000 1.169 323 A CA 2.195 54.170 52.037 -0.104 0.000 0.635 323 A CB -1.864 17.067 19.000 -0.115 0.000 0.810 323 A HN 0.187 nan 8.150 nan 0.000 0.446 324 T N -0.355 114.231 114.554 0.054 0.000 2.904 324 T HA -0.080 4.270 4.350 0.000 0.000 0.267 324 T C 1.991 176.822 174.700 0.219 0.000 1.059 324 T CA 1.784 63.944 62.100 0.100 0.000 1.137 324 T CB -0.368 68.529 68.868 0.048 0.000 0.879 324 T HN 0.574 nan 8.240 nan 0.000 0.467 325 T N 1.843 116.553 114.554 0.259 0.000 2.708 325 T HA -0.039 4.311 4.350 0.000 0.000 0.266 325 T C 1.517 176.426 174.700 0.348 0.000 1.037 325 T CA 0.939 63.226 62.100 0.310 0.000 1.146 325 T CB -0.532 68.508 68.868 0.287 0.000 0.865 325 T HN 0.254 nan 8.240 nan 0.000 0.435 326 F N 1.923 121.933 119.950 0.100 0.000 2.287 326 F HA -0.034 4.493 4.527 0.000 0.000 0.301 326 F C 2.540 178.356 175.800 0.027 0.000 1.069 326 F CA 0.166 58.212 58.000 0.077 0.000 1.372 326 F CB -1.021 38.021 39.000 0.070 0.000 1.056 326 F HN 0.156 nan 8.300 nan 0.000 0.523 327 A N -0.992 121.926 122.820 0.164 0.000 2.024 327 A HA -0.195 4.125 4.320 0.000 0.000 0.220 327 A C 1.835 179.286 177.584 -0.222 0.000 1.164 327 A CA 1.732 53.726 52.037 -0.072 0.000 0.643 327 A CB -0.810 18.082 19.000 -0.181 0.000 0.806 327 A HN 0.510 nan 8.150 nan 0.000 0.451 328 H N -1.395 117.688 119.070 0.021 0.000 2.622 328 H HA 0.297 4.853 4.556 0.000 0.000 0.269 328 H C -0.013 175.274 175.328 -0.068 0.000 0.977 328 H CA -0.219 55.814 56.048 -0.025 0.000 1.179 328 H CB 0.086 29.827 29.762 -0.034 0.000 1.458 328 H HN 0.320 nan 8.280 nan 0.000 0.531 329 L N 1.953 123.176 121.223 -0.000 0.000 2.416 329 L HA 0.029 4.369 4.340 0.000 0.000 0.272 329 L C 0.870 177.688 176.870 -0.087 0.000 1.161 329 L CA 0.198 54.977 54.840 -0.102 0.000 0.845 329 L CB 0.835 42.751 42.059 -0.239 0.000 1.119 329 L HN 0.095 nan 8.230 nan 0.000 0.464 330 D N 2.075 122.416 120.400 -0.099 0.000 2.398 330 D HA 0.345 4.985 4.640 0.000 0.000 0.210 330 D C 0.228 176.486 176.300 -0.069 0.000 1.094 330 D CA 0.358 54.313 54.000 -0.075 0.000 0.839 330 D CB 1.308 42.065 40.800 -0.073 0.000 0.963 330 D HN 0.604 nan 8.370 nan 0.000 0.506 331 A N 0.294 123.055 122.820 -0.098 0.000 2.549 331 A HA 0.499 4.819 4.320 0.000 0.000 0.291 331 A C -0.965 176.574 177.584 -0.075 0.000 1.034 331 A CA -0.686 51.315 52.037 -0.061 0.000 0.655 331 A CB 1.124 20.110 19.000 -0.023 0.000 1.299 331 A HN -0.025 nan 8.150 nan 0.000 0.427 332 T N -1.204 113.358 114.554 0.014 0.000 2.893 332 T HA 0.763 5.113 4.350 0.000 0.000 0.293 332 T C -0.693 174.106 174.700 0.164 0.000 1.027 332 T CA -0.427 61.738 62.100 0.108 0.000 0.988 332 T CB 1.737 70.725 68.868 0.200 0.000 1.043 332 T HN 0.880 nan 8.240 nan 0.000 0.461 333 T N 2.694 117.375 114.554 0.212 0.000 2.809 333 T HA 0.510 4.860 4.350 0.000 0.000 0.296 333 T C -0.263 174.595 174.700 0.263 0.000 1.015 333 T CA -0.553 61.688 62.100 0.235 0.000 0.954 333 T CB 0.940 69.973 68.868 0.275 0.000 0.950 333 T HN 0.660 nan 8.240 nan 0.000 0.450 334 V N 5.809 125.852 119.914 0.215 0.000 2.333 334 V HA 0.376 4.496 4.120 0.000 0.000 0.274 334 V C 0.066 176.257 176.094 0.161 0.000 1.028 334 V CA -0.754 61.667 62.300 0.202 0.000 0.851 334 V CB 0.657 32.545 31.823 0.110 0.000 1.000 334 V HN 0.741 nan 8.190 nan 0.000 0.456 335 L N 4.119 125.447 121.223 0.174 0.000 2.292 335 L HA 0.568 4.908 4.340 0.000 0.000 0.284 335 L C 0.371 177.312 176.870 0.119 0.000 1.065 335 L CA 0.176 55.102 54.840 0.144 0.000 0.806 335 L CB 1.616 43.768 42.059 0.154 0.000 1.175 335 L HN 0.645 nan 8.230 nan 0.000 0.431 336 S N 1.792 117.547 115.700 0.093 0.000 2.500 336 S HA 0.410 4.881 4.470 0.000 0.000 0.301 336 S C 0.875 175.514 174.600 0.066 0.000 1.092 336 S CA -0.753 57.490 58.200 0.071 0.000 1.030 336 S CB 1.462 64.692 63.200 0.049 0.000 1.031 336 S HN 0.669 nan 8.310 nan 0.000 0.483 337 R N 2.674 123.212 120.500 0.063 0.000 2.096 337 R HA -0.043 4.297 4.340 0.000 0.000 0.235 337 R C 2.342 178.667 176.300 0.042 0.000 1.127 337 R CA 1.571 57.708 56.100 0.061 0.000 0.968 337 R CB -0.577 29.756 30.300 0.056 0.000 0.861 337 R HN 0.671 nan 8.270 nan 0.000 0.440 338 A N 2.013 124.851 122.820 0.029 0.000 1.834 338 A HA -0.174 4.146 4.320 0.000 0.000 0.216 338 A C 2.113 179.696 177.584 -0.001 0.000 1.203 338 A CA 1.394 53.439 52.037 0.013 0.000 0.621 338 A CB -0.552 18.454 19.000 0.010 0.000 0.841 338 A HN 0.096 nan 8.150 nan 0.000 0.446 339 I N 0.228 120.797 120.570 -0.001 0.000 2.145 339 I HA -0.354 3.816 4.170 0.000 0.000 0.244 339 I C 2.970 179.034 176.117 -0.088 0.000 1.075 339 I CA 1.765 63.049 61.300 -0.028 0.000 1.332 339 I CB -1.847 36.148 38.000 -0.009 0.000 1.033 339 I HN 0.410 nan 8.210 nan 0.000 0.410 340 A N 0.697 123.489 122.820 -0.046 0.000 1.884 340 A HA -0.256 4.064 4.320 0.000 0.000 0.219 340 A C 2.227 179.735 177.584 -0.127 0.000 1.197 340 A CA 2.069 54.068 52.037 -0.064 0.000 0.637 340 A CB -0.903 18.181 19.000 0.140 0.000 0.827 340 A HN 0.543 nan 8.150 nan 0.000 0.450 341 E N -0.393 119.794 120.200 -0.020 0.000 2.267 341 E HA -0.136 4.214 4.350 0.000 0.000 0.197 341 E C 1.465 178.039 176.600 -0.044 0.000 0.998 341 E CA 0.851 57.251 56.400 -0.000 0.000 0.830 341 E CB -0.305 29.405 29.700 0.015 0.000 0.751 341 E HN 0.669 nan 8.360 nan 0.000 0.491 342 L N -0.486 120.683 121.223 -0.090 0.000 2.599 342 L HA 0.098 4.438 4.340 0.000 0.000 0.230 342 L C 1.525 178.316 176.870 -0.131 0.000 1.141 342 L CA 0.379 55.170 54.840 -0.083 0.000 0.877 342 L CB -0.100 41.926 42.059 -0.056 0.000 1.009 342 L HN 0.254 nan 8.230 nan 0.000 0.447 343 G N 0.702 109.350 108.800 -0.252 0.000 2.179 343 G HA2 -0.299 3.662 3.960 0.000 0.000 0.260 343 G HA3 -0.299 3.662 3.960 0.000 0.000 0.260 343 G C 0.318 174.896 174.900 -0.536 0.000 0.977 343 G CA -0.166 44.734 45.100 -0.333 0.000 0.641 343 G HN 0.318 nan 8.290 nan 0.000 0.533 344 I N 1.075 121.375 120.570 -0.450 0.000 2.436 344 I HA 0.371 4.541 4.170 0.000 0.000 0.289 344 I C -0.141 175.659 176.117 -0.529 0.000 1.083 344 I CA -0.311 60.821 61.300 -0.279 0.000 1.372 344 I CB 0.200 38.142 38.000 -0.097 0.000 1.408 344 I HN 0.037 nan 8.210 nan 0.000 0.516 345 Y N 7.659 127.918 120.300 -0.069 0.000 2.361 345 Y HA 0.420 4.970 4.550 0.000 0.000 0.337 345 Y C -2.225 173.480 175.900 -0.325 0.000 0.965 345 Y CA -3.178 54.815 58.100 -0.179 0.000 1.091 345 Y CB 1.387 39.723 38.460 -0.208 0.000 1.182 345 Y HN 0.404 nan 8.280 nan 0.000 0.450 346 P HA 0.130 nan 4.420 nan 0.000 0.272 346 P C -0.192 177.145 177.300 0.062 0.000 1.223 346 P CA -0.291 62.799 63.100 -0.017 0.000 0.784 346 P CB 1.116 32.881 31.700 0.108 0.000 0.923 347 A N 2.703 125.599 122.820 0.126 0.000 2.604 347 A HA 0.174 4.494 4.320 0.000 0.000 0.248 347 A C 0.509 178.141 177.584 0.080 0.000 1.466 347 A CA -0.157 51.926 52.037 0.077 0.000 1.222 347 A CB -1.315 17.757 19.000 0.120 0.000 0.945 347 A HN 0.359 nan 8.150 nan 0.000 0.600 348 V N 1.460 121.421 119.914 0.079 0.000 2.455 348 V HA 0.040 4.161 4.120 0.000 0.000 0.273 348 V C 0.418 176.547 176.094 0.058 0.000 1.045 348 V CA -0.520 61.833 62.300 0.088 0.000 0.976 348 V CB 1.151 33.035 31.823 0.101 0.000 0.993 348 V HN 0.583 nan 8.190 nan 0.000 0.475 349 D N 8.504 128.940 120.400 0.060 0.000 2.338 349 D HA 0.125 4.765 4.640 0.000 0.000 0.255 349 D C -1.265 175.055 176.300 0.032 0.000 1.237 349 D CA -1.607 52.417 54.000 0.040 0.000 0.883 349 D CB 1.957 42.779 40.800 0.037 0.000 1.087 349 D HN 0.282 nan 8.370 nan 0.000 0.485 350 P HA -0.107 nan 4.420 nan 0.000 0.220 350 P C 1.343 178.644 177.300 0.001 0.000 1.148 350 P CA 0.814 63.917 63.100 0.004 0.000 0.803 350 P CB 0.434 32.134 31.700 0.000 0.000 0.782 351 L N -1.766 119.461 121.223 0.006 0.000 2.590 351 L HA 0.169 4.510 4.340 0.000 0.000 0.227 351 L C 1.744 178.613 176.870 -0.001 0.000 1.099 351 L CA 0.417 55.257 54.840 0.001 0.000 0.872 351 L CB -0.415 41.645 42.059 0.002 0.000 1.088 351 L HN -0.179 nan 8.230 nan 0.000 0.479 352 D N -0.137 120.265 120.400 0.003 0.000 2.269 352 D HA 0.005 4.645 4.640 0.000 0.000 0.220 352 D C 0.806 177.107 176.300 0.002 0.000 0.962 352 D CA 0.496 54.490 54.000 -0.009 0.000 0.884 352 D CB 0.241 41.031 40.800 -0.017 0.000 1.023 352 D HN -0.010 nan 8.370 nan 0.000 0.484 353 S N 0.531 116.250 115.700 0.031 0.000 2.546 353 S HA 0.276 4.746 4.470 0.000 0.000 0.290 353 S C 0.525 175.151 174.600 0.043 0.000 1.290 353 S CA 0.003 58.238 58.200 0.060 0.000 1.069 353 S CB 0.504 63.755 63.200 0.086 0.000 0.846 353 S HN 0.347 nan 8.310 nan 0.000 0.495 354 T N -0.604 113.978 114.554 0.046 0.000 2.888 354 T HA 0.820 5.170 4.350 0.000 0.000 0.288 354 T C -0.506 174.218 174.700 0.041 0.000 1.063 354 T CA -0.894 61.227 62.100 0.033 0.000 1.010 354 T CB 1.940 70.821 68.868 0.022 0.000 1.214 354 T HN 0.513 nan 8.240 nan 0.000 0.533 355 S N -1.492 114.227 115.700 0.032 0.000 2.542 355 S HA 0.402 4.872 4.470 0.000 0.000 0.276 355 S C 0.406 175.017 174.600 0.017 0.000 1.148 355 S CA -0.810 57.407 58.200 0.028 0.000 0.886 355 S CB 1.747 64.974 63.200 0.045 0.000 1.109 355 S HN 0.790 nan 8.310 nan 0.000 0.458 356 R N 2.064 122.565 120.500 0.003 0.000 2.075 356 R HA 0.105 4.445 4.340 0.000 0.000 0.226 356 R C 1.997 178.293 176.300 -0.007 0.000 1.114 356 R CA 1.698 57.797 56.100 -0.002 0.000 0.972 356 R CB -0.475 29.817 30.300 -0.013 0.000 0.869 356 R HN 0.841 nan 8.270 nan 0.000 0.437 357 I N -1.409 119.154 120.570 -0.012 0.000 3.241 357 I HA -0.027 4.143 4.170 0.000 0.000 0.280 357 I C 0.790 176.885 176.117 -0.036 0.000 1.320 357 I CA 0.528 61.813 61.300 -0.026 0.000 1.413 357 I CB -0.112 37.873 38.000 -0.025 0.000 1.060 357 I HN 0.024 nan 8.210 nan 0.000 0.500 358 M N 3.056 122.651 119.600 -0.009 0.000 3.596 358 M HA 0.181 4.661 4.480 0.000 0.000 0.212 358 M C -0.832 175.528 176.300 0.100 0.000 1.519 358 M CA 0.612 55.922 55.300 0.017 0.000 1.670 358 M CB -1.605 31.017 32.600 0.037 0.000 1.113 358 M HN 0.336 nan 8.290 nan 0.000 0.565 359 D N 1.317 121.714 120.400 -0.004 0.000 2.787 359 D HA 0.420 5.060 4.640 0.000 0.000 0.246 359 D C -1.957 174.208 176.300 -0.225 0.000 1.150 359 D CA -1.600 52.316 54.000 -0.139 0.000 0.864 359 D CB 2.320 43.053 40.800 -0.112 0.000 1.481 359 D HN 0.041 nan 8.370 nan 0.000 0.509 360 P HA -0.140 nan 4.420 nan 0.000 0.216 360 P C 0.347 177.548 177.300 -0.164 0.000 1.153 360 P CA 1.181 64.062 63.100 -0.364 0.000 0.858 360 P CB 0.127 31.511 31.700 -0.528 0.000 0.789 361 N N -1.430 117.171 118.700 -0.164 0.000 2.550 361 N HA -0.007 4.733 4.740 0.000 0.000 0.186 361 N C 1.488 176.958 175.510 -0.066 0.000 1.110 361 N CA 0.771 53.765 53.050 -0.094 0.000 0.912 361 N CB -0.390 38.044 38.487 -0.088 0.000 0.968 361 N HN 0.264 nan 8.380 nan 0.000 0.448 362 I N -1.484 119.043 120.570 -0.072 0.000 3.673 362 I HA 0.004 4.174 4.170 0.000 0.000 0.281 362 I C 1.286 177.382 176.117 -0.036 0.000 1.182 362 I CA 0.191 61.462 61.300 -0.049 0.000 1.391 362 I CB 0.265 38.235 38.000 -0.051 0.000 1.383 362 I HN -0.045 nan 8.210 nan 0.000 0.456 363 V N -0.915 118.966 119.914 -0.056 0.000 3.647 363 V HA 0.602 4.722 4.120 0.000 0.000 0.279 363 V C 0.804 176.926 176.094 0.048 0.000 1.314 363 V CA 0.104 62.371 62.300 -0.055 0.000 1.125 363 V CB -1.108 30.530 31.823 -0.308 0.000 0.907 363 V HN 0.486 nan 8.190 nan 0.000 0.434 364 G N 0.098 108.919 108.800 0.035 0.000 2.699 364 G HA2 -0.144 3.816 3.960 0.000 0.000 0.686 364 G HA3 -0.144 3.816 3.960 0.000 0.000 0.686 364 G C 0.260 175.224 174.900 0.105 0.000 1.301 364 G CA 0.034 45.176 45.100 0.069 0.000 0.816 364 G HN 0.530 nan 8.290 nan 0.000 0.595 365 S N -0.898 114.858 115.700 0.094 0.000 2.414 365 S HA -0.021 4.449 4.470 0.000 0.000 0.227 365 S C 1.878 176.590 174.600 0.188 0.000 1.022 365 S CA 1.830 60.108 58.200 0.131 0.000 0.958 365 S CB -0.187 63.060 63.200 0.079 0.000 0.797 365 S HN 0.665 nan 8.310 nan 0.000 0.493 366 E N 0.160 120.454 120.200 0.156 0.000 2.006 366 E HA -0.232 4.118 4.350 0.000 0.000 0.192 366 E C 1.876 178.591 176.600 0.191 0.000 0.993 366 E CA 1.348 57.834 56.400 0.143 0.000 0.808 366 E CB -0.465 29.300 29.700 0.107 0.000 0.764 366 E HN 0.761 nan 8.360 nan 0.000 0.449 367 H N -1.324 117.802 119.070 0.094 0.000 2.325 367 H HA -0.268 4.288 4.556 0.000 0.000 0.293 367 H C 2.171 177.550 175.328 0.084 0.000 1.106 367 H CA 2.042 58.139 56.048 0.082 0.000 1.247 367 H CB -0.189 29.623 29.762 0.083 0.000 1.359 367 H HN 0.298 nan 8.280 nan 0.000 0.488 368 Y N 1.538 121.943 120.300 0.175 0.000 2.128 368 Y HA -0.250 4.300 4.550 0.000 0.000 0.284 368 Y C 2.114 178.059 175.900 0.074 0.000 1.154 368 Y CA 2.022 60.163 58.100 0.068 0.000 1.149 368 Y CB -0.337 38.134 38.460 0.019 0.000 0.976 368 Y HN 0.345 nan 8.280 nan 0.000 0.505 369 D N -0.808 119.638 120.400 0.077 0.000 2.178 369 D HA -0.142 4.498 4.640 0.000 0.000 0.202 369 D C 2.329 178.613 176.300 -0.028 0.000 0.974 369 D CA 1.513 55.511 54.000 -0.004 0.000 0.841 369 D CB -0.203 40.647 40.800 0.082 0.000 0.953 369 D HN 0.335 nan 8.370 nan 0.000 0.478 370 V N 1.385 121.316 119.914 0.028 0.000 2.407 370 V HA -0.122 3.998 4.120 0.000 0.000 0.245 370 V C 2.575 178.662 176.094 -0.012 0.000 1.041 370 V CA 1.429 63.749 62.300 0.032 0.000 1.040 370 V CB -0.727 31.136 31.823 0.068 0.000 0.671 370 V HN 0.131 nan 8.190 nan 0.000 0.455 371 A N 0.359 123.170 122.820 -0.014 0.000 1.883 371 A HA -0.220 4.100 4.320 0.000 0.000 0.217 371 A C 2.379 179.882 177.584 -0.134 0.000 1.186 371 A CA 1.707 53.708 52.037 -0.061 0.000 0.624 371 A CB -0.477 18.520 19.000 -0.005 0.000 0.822 371 A HN 0.386 nan 8.150 nan 0.000 0.444 372 R N -0.713 119.646 120.500 -0.236 0.000 2.081 372 R HA -0.106 4.234 4.340 0.000 0.000 0.235 372 R C 2.417 178.648 176.300 -0.116 0.000 1.131 372 R CA 1.349 57.310 56.100 -0.232 0.000 0.960 372 R CB -1.568 28.504 30.300 -0.379 0.000 0.856 372 R HN 0.547 nan 8.270 nan 0.000 0.436 373 G N 0.560 109.309 108.800 -0.085 0.000 2.440 373 G HA2 -0.219 3.741 3.960 0.000 0.000 0.218 373 G HA3 -0.219 3.741 3.960 0.000 0.000 0.218 373 G C 1.588 176.482 174.900 -0.010 0.000 1.154 373 G CA 0.953 46.035 45.100 -0.030 0.000 0.767 373 G HN 0.189 nan 8.290 nan 0.000 0.552 374 V N 0.473 120.379 119.914 -0.014 0.000 2.358 374 V HA -0.230 3.890 4.120 0.000 0.000 0.246 374 V C 2.903 178.989 176.094 -0.013 0.000 1.047 374 V CA 2.255 64.556 62.300 0.001 0.000 1.035 374 V CB -0.622 31.171 31.823 -0.051 0.000 0.658 374 V HN 0.435 nan 8.190 nan 0.000 0.452 375 Q N -0.068 119.707 119.800 -0.041 0.000 2.096 375 Q HA -0.281 4.059 4.340 0.000 0.000 0.204 375 Q C 2.325 178.320 176.000 -0.009 0.000 0.982 375 Q CA 2.067 57.851 55.803 -0.031 0.000 0.850 375 Q CB -0.258 28.450 28.738 -0.050 0.000 0.901 375 Q HN 0.586 nan 8.270 nan 0.000 0.422 376 K N 0.471 120.863 120.400 -0.013 0.000 2.103 376 K HA -0.146 4.174 4.320 0.000 0.000 0.204 376 K C 1.907 178.521 176.600 0.022 0.000 1.052 376 K CA 0.753 57.041 56.287 0.001 0.000 0.945 376 K CB -0.061 32.435 32.500 -0.006 0.000 0.722 376 K HN 0.086 nan 8.250 nan 0.000 0.443 377 I N 1.199 121.783 120.570 0.024 0.000 2.361 377 I HA -0.211 3.959 4.170 0.000 0.000 0.251 377 I C 1.640 177.802 176.117 0.075 0.000 1.133 377 I CA 1.254 62.577 61.300 0.038 0.000 1.413 377 I CB 0.029 38.042 38.000 0.022 0.000 1.073 377 I HN 0.218 nan 8.210 nan 0.000 0.424 378 L N -0.640 120.627 121.223 0.073 0.000 2.109 378 L HA -0.187 4.153 4.340 0.000 0.000 0.207 378 L C 2.471 179.408 176.870 0.111 0.000 1.086 378 L CA 1.160 56.069 54.840 0.115 0.000 0.760 378 L CB -0.571 41.533 42.059 0.074 0.000 0.910 378 L HN 0.303 nan 8.230 nan 0.000 0.437 379 Q N -0.310 119.527 119.800 0.061 0.000 2.083 379 Q HA -0.176 4.164 4.340 0.000 0.000 0.198 379 Q C 1.720 177.744 176.000 0.039 0.000 0.969 379 Q CA 1.281 57.105 55.803 0.036 0.000 0.838 379 Q CB -0.020 28.728 28.738 0.017 0.000 0.900 379 Q HN 0.472 nan 8.270 nan 0.000 0.436 380 D N 0.195 120.629 120.400 0.058 0.000 2.084 380 D HA -0.178 4.462 4.640 0.000 0.000 0.194 380 D C 1.717 178.073 176.300 0.094 0.000 0.990 380 D CA 1.023 55.059 54.000 0.060 0.000 0.826 380 D CB -0.474 40.363 40.800 0.061 0.000 0.971 380 D HN 0.186 nan 8.370 nan 0.000 0.453 381 Y N 2.134 122.432 120.300 -0.004 0.000 2.139 381 Y HA -0.295 4.255 4.550 0.000 0.000 0.282 381 Y C 2.278 178.175 175.900 -0.005 0.000 1.179 381 Y CA 1.817 59.914 58.100 -0.005 0.000 1.161 381 Y CB -0.307 38.151 38.460 -0.004 0.000 0.970 381 Y HN -0.139 nan 8.280 nan 0.000 0.511 382 K N -0.474 119.854 120.400 -0.120 0.000 2.044 382 K HA -0.189 4.131 4.320 0.000 0.000 0.210 382 K C 2.239 178.743 176.600 -0.160 0.000 1.049 382 K CA 1.917 58.088 56.287 -0.194 0.000 0.927 382 K CB -0.256 32.199 32.500 -0.074 0.000 0.713 382 K HN 0.352 nan 8.250 nan 0.000 0.443 383 S N 1.101 116.752 115.700 -0.082 0.000 2.348 383 S HA -0.120 4.350 4.470 0.000 0.000 0.221 383 S C 1.883 176.444 174.600 -0.066 0.000 1.033 383 S CA 1.282 59.448 58.200 -0.056 0.000 1.010 383 S CB -0.289 62.898 63.200 -0.021 0.000 0.891 383 S HN 0.249 nan 8.310 nan 0.000 0.442 384 L N 1.382 122.572 121.223 -0.056 0.000 2.131 384 L HA -0.157 4.183 4.340 0.000 0.000 0.210 384 L C 2.801 179.619 176.870 -0.086 0.000 1.092 384 L CA 1.138 55.957 54.840 -0.036 0.000 0.759 384 L CB -0.540 41.540 42.059 0.035 0.000 0.903 384 L HN 0.386 nan 8.230 nan 0.000 0.435 385 Q N 0.270 119.944 119.800 -0.210 0.000 2.217 385 Q HA -0.283 4.057 4.340 0.000 0.000 0.209 385 Q C 1.559 177.483 176.000 -0.126 0.000 0.988 385 Q CA 2.047 57.703 55.803 -0.246 0.000 0.878 385 Q CB 0.041 28.532 28.738 -0.411 0.000 0.909 385 Q HN 0.487 nan 8.270 nan 0.000 0.424 386 D N -0.265 120.075 120.400 -0.099 0.000 2.149 386 D HA -0.161 4.479 4.640 0.000 0.000 0.198 386 D C 1.529 177.803 176.300 -0.042 0.000 0.990 386 D CA 1.114 55.077 54.000 -0.063 0.000 0.839 386 D CB -0.033 40.736 40.800 -0.051 0.000 0.948 386 D HN 0.305 nan 8.370 nan 0.000 0.460 387 I N 0.436 120.985 120.570 -0.035 0.000 2.339 387 I HA -0.128 4.042 4.170 0.000 0.000 0.245 387 I C 2.051 178.161 176.117 -0.012 0.000 1.096 387 I CA 0.237 61.526 61.300 -0.018 0.000 1.408 387 I CB -0.217 37.778 38.000 -0.010 0.000 1.092 387 I HN -0.074 nan 8.210 nan 0.000 0.423 388 I N 1.261 121.824 120.570 -0.011 0.000 2.148 388 I HA -0.415 3.755 4.170 0.000 0.000 0.229 388 I C 2.627 178.745 176.117 0.002 0.000 0.993 388 I CA 2.419 63.721 61.300 0.005 0.000 1.295 388 I CB -1.797 36.212 38.000 0.014 0.000 1.004 388 I HN 0.259 nan 8.210 nan 0.000 0.386 389 A N 0.225 123.039 122.820 -0.009 0.000 1.929 389 A HA -0.070 4.250 4.320 0.000 0.000 0.216 389 A C 2.242 179.821 177.584 -0.008 0.000 1.176 389 A CA 1.049 53.083 52.037 -0.006 0.000 0.628 389 A CB -0.366 18.626 19.000 -0.012 0.000 0.816 389 A HN 0.376 nan 8.150 nan 0.000 0.444 390 I N -0.081 120.481 120.570 -0.014 0.000 2.201 390 I HA -0.082 4.088 4.170 0.000 0.000 0.233 390 I C 1.950 178.063 176.117 -0.008 0.000 1.067 390 I CA 1.071 62.364 61.300 -0.012 0.000 1.354 390 I CB -1.442 36.548 38.000 -0.017 0.000 1.108 390 I HN 0.209 nan 8.210 nan 0.000 0.411 391 L N 1.118 122.336 121.223 -0.008 0.000 2.675 391 L HA 0.186 4.526 4.340 0.000 0.000 0.239 391 L C 0.510 177.380 176.870 -0.001 0.000 1.151 391 L CA 0.075 54.912 54.840 -0.005 0.000 0.905 391 L CB -1.261 40.795 42.059 -0.006 0.000 1.057 391 L HN 0.544 nan 8.230 nan 0.000 0.435 392 G N 1.461 110.261 108.800 0.000 0.000 3.399 392 G HA2 -0.288 3.672 3.960 0.000 0.000 0.685 392 G HA3 -0.288 3.672 3.960 0.000 0.000 0.685 392 G C -0.391 174.514 174.900 0.008 0.000 0.952 392 G CA -0.446 44.656 45.100 0.004 0.000 0.793 392 G HN 0.240 nan 8.290 nan 0.000 0.492 393 M N 2.237 121.844 119.600 0.012 0.000 3.237 393 M HA 0.335 4.815 4.480 0.000 0.000 0.266 393 M C 0.319 176.628 176.300 0.016 0.000 1.456 393 M CA 0.337 55.648 55.300 0.018 0.000 1.593 393 M CB -0.286 32.331 32.600 0.027 0.000 1.129 393 M HN 0.594 nan 8.290 nan 0.000 0.547 394 D N 0.428 120.836 120.400 0.013 0.000 2.259 394 D HA -0.013 4.627 4.640 0.000 0.000 0.301 394 D C 0.158 176.465 176.300 0.010 0.000 1.149 394 D CA -0.029 53.978 54.000 0.011 0.000 1.012 394 D CB 0.329 41.134 40.800 0.008 0.000 1.797 394 D HN 0.455 nan 8.370 nan 0.000 0.513 395 E N 1.824 122.029 120.200 0.009 0.000 2.424 395 E HA 0.143 4.494 4.350 0.000 0.000 0.237 395 E C -0.323 176.283 176.600 0.010 0.000 1.381 395 E CA -0.078 56.327 56.400 0.008 0.000 1.587 395 E CB -0.592 29.111 29.700 0.006 0.000 1.398 395 E HN 0.341 nan 8.360 nan 0.000 0.439 396 L N 1.872 123.102 121.223 0.013 0.000 2.260 396 L HA 0.173 4.513 4.340 0.000 0.000 0.289 396 L C 0.820 177.698 176.870 0.014 0.000 1.057 396 L CA -0.586 54.264 54.840 0.016 0.000 0.811 396 L CB 1.065 43.138 42.059 0.023 0.000 1.184 396 L HN 0.061 nan 8.230 nan 0.000 0.429 397 S N 1.186 116.893 115.700 0.013 0.000 2.559 397 S HA -0.019 4.451 4.470 0.000 0.000 0.282 397 S C 1.007 175.614 174.600 0.011 0.000 1.336 397 S CA -0.520 57.686 58.200 0.011 0.000 1.037 397 S CB 0.795 64.001 63.200 0.010 0.000 0.853 397 S HN 0.700 nan 8.310 nan 0.000 0.523 398 E N 1.668 121.873 120.200 0.008 0.000 2.136 398 E HA -0.285 4.065 4.350 0.000 0.000 0.202 398 E C 1.935 178.540 176.600 0.008 0.000 1.019 398 E CA 2.146 58.550 56.400 0.007 0.000 0.819 398 E CB -0.275 29.429 29.700 0.005 0.000 0.739 398 E HN 0.835 nan 8.360 nan 0.000 0.458 399 E N 0.659 120.864 120.200 0.008 0.000 2.051 399 E HA -0.181 4.169 4.350 0.000 0.000 0.192 399 E C 1.809 178.417 176.600 0.013 0.000 0.991 399 E CA 1.230 57.636 56.400 0.009 0.000 0.799 399 E CB -0.059 29.647 29.700 0.010 0.000 0.748 399 E HN 0.234 nan 8.360 nan 0.000 0.449 400 D N 0.859 121.270 120.400 0.017 0.000 2.178 400 D HA -0.112 4.528 4.640 0.000 0.000 0.201 400 D C 1.647 177.964 176.300 0.027 0.000 0.980 400 D CA 0.972 54.988 54.000 0.027 0.000 0.842 400 D CB -0.097 40.720 40.800 0.029 0.000 0.948 400 D HN 0.109 nan 8.370 nan 0.000 0.472 401 K N -0.079 120.332 120.400 0.018 0.000 2.057 401 K HA -0.099 4.221 4.320 0.000 0.000 0.207 401 K C 1.966 178.568 176.600 0.003 0.000 1.049 401 K CA 0.668 56.964 56.287 0.014 0.000 0.931 401 K CB -0.052 32.454 32.500 0.011 0.000 0.714 401 K HN 0.059 nan 8.250 nan 0.000 0.440 402 L N 0.714 121.936 121.223 -0.001 0.000 2.131 402 L HA -0.122 4.218 4.340 0.000 0.000 0.206 402 L C 2.597 179.450 176.870 -0.028 0.000 1.087 402 L CA 1.624 56.455 54.840 -0.015 0.000 0.767 402 L CB -0.883 41.171 42.059 -0.010 0.000 0.917 402 L HN 0.335 nan 8.230 nan 0.000 0.441 403 T N -3.709 110.840 114.554 -0.009 0.000 2.720 403 T HA -0.201 4.149 4.350 0.000 0.000 0.268 403 T C 1.854 176.527 174.700 -0.045 0.000 1.037 403 T CA 1.671 63.767 62.100 -0.007 0.000 1.144 403 T CB -0.981 67.906 68.868 0.033 0.000 0.864 403 T HN 0.085 nan 8.240 nan 0.000 0.444 404 V N 2.623 122.522 119.914 -0.024 0.000 2.358 404 V HA -0.150 3.970 4.120 0.000 0.000 0.246 404 V C 3.229 179.175 176.094 -0.247 0.000 1.047 404 V CA 1.964 64.205 62.300 -0.099 0.000 1.035 404 V CB -0.968 30.899 31.823 0.074 0.000 0.658 404 V HN 0.806 nan 8.190 nan 0.000 0.452 405 S N 0.629 116.248 115.700 -0.135 0.000 2.368 405 S HA -0.198 4.272 4.470 0.000 0.000 0.224 405 S C 2.075 176.565 174.600 -0.184 0.000 1.029 405 S CA 1.222 59.341 58.200 -0.135 0.000 0.988 405 S CB -0.426 62.732 63.200 -0.070 0.000 0.838 405 S HN 0.565 nan 8.310 nan 0.000 0.462 406 R N 1.610 122.010 120.500 -0.166 0.000 2.062 406 R HA 0.181 4.521 4.340 0.000 0.000 0.229 406 R C 2.870 179.042 176.300 -0.213 0.000 1.128 406 R CA 1.133 57.124 56.100 -0.181 0.000 0.960 406 R CB -0.908 29.324 30.300 -0.113 0.000 0.855 406 R HN 0.534 nan 8.270 nan 0.000 0.432 407 A N 1.629 124.313 122.820 -0.228 0.000 1.917 407 A HA -0.227 4.093 4.320 0.000 0.000 0.219 407 A C 2.098 179.480 177.584 -0.336 0.000 1.182 407 A CA 1.558 53.437 52.037 -0.263 0.000 0.633 407 A CB -0.461 18.324 19.000 -0.358 0.000 0.819 407 A HN 0.254 nan 8.150 nan 0.000 0.448 408 R N -0.760 119.467 120.500 -0.454 0.000 2.148 408 R HA -0.051 4.289 4.340 0.000 0.000 0.227 408 R C 2.152 178.341 176.300 -0.185 0.000 1.103 408 R CA 1.436 57.339 56.100 -0.328 0.000 0.983 408 R CB -0.194 29.922 30.300 -0.306 0.000 0.874 408 R HN 0.510 nan 8.270 nan 0.000 0.451 409 K N 0.559 120.804 120.400 -0.259 0.000 2.062 409 K HA -0.006 4.314 4.320 0.000 0.000 0.205 409 K C 1.992 178.425 176.600 -0.278 0.000 1.051 409 K CA 0.991 57.040 56.287 -0.397 0.000 0.941 409 K CB 0.014 32.007 32.500 -0.845 0.000 0.719 409 K HN 0.063 nan 8.250 nan 0.000 0.440 410 I N 1.377 121.847 120.570 -0.168 0.000 2.226 410 I HA -0.325 3.845 4.170 0.000 0.000 0.245 410 I C 2.771 179.026 176.117 0.229 0.000 1.100 410 I CA 1.296 62.657 61.300 0.102 0.000 1.374 410 I CB -0.206 37.883 38.000 0.148 0.000 1.057 410 I HN 0.299 nan 8.210 nan 0.000 0.413 411 Q N 1.208 121.065 119.800 0.096 0.000 2.170 411 Q HA -0.215 4.125 4.340 0.000 0.000 0.203 411 Q C 2.205 178.287 176.000 0.137 0.000 0.976 411 Q CA 1.469 57.335 55.803 0.105 0.000 0.858 411 Q CB 0.055 28.826 28.738 0.055 0.000 0.907 411 Q HN 0.461 nan 8.270 nan 0.000 0.433 412 R N -0.877 119.711 120.500 0.147 0.000 2.127 412 R HA -0.010 4.330 4.340 0.000 0.000 0.217 412 R C 1.903 178.386 176.300 0.304 0.000 1.074 412 R CA 0.745 56.987 56.100 0.237 0.000 0.991 412 R CB -0.104 30.338 30.300 0.238 0.000 0.895 412 R HN 0.216 nan 8.270 nan 0.000 0.450 413 F N 1.223 121.231 119.950 0.098 0.000 2.604 413 F HA 0.029 4.556 4.527 0.000 0.000 0.298 413 F C 1.346 177.254 175.800 0.180 0.000 1.131 413 F CA 0.799 58.833 58.000 0.057 0.000 1.457 413 F CB 0.036 38.924 39.000 -0.186 0.000 1.095 413 F HN -0.085 nan 8.300 nan 0.000 0.574 414 L N -0.331 121.020 121.223 0.214 0.000 2.552 414 L HA -0.001 4.339 4.340 0.000 0.000 0.227 414 L C 1.416 178.301 176.870 0.025 0.000 1.146 414 L CA 0.308 55.238 54.840 0.149 0.000 0.858 414 L CB -0.732 41.406 42.059 0.132 0.000 0.969 414 L HN 0.123 nan 8.230 nan 0.000 0.451 415 S N -0.401 115.302 115.700 0.005 0.000 2.669 415 S HA 0.468 4.938 4.470 0.000 0.000 0.270 415 S C -0.345 174.180 174.600 -0.124 0.000 1.225 415 S CA -0.538 57.616 58.200 -0.077 0.000 0.991 415 S CB 1.957 65.087 63.200 -0.117 0.000 0.987 415 S HN 0.248 nan 8.310 nan 0.000 0.552 416 Q N 0.065 119.762 119.800 -0.172 0.000 2.518 416 Q HA 0.296 4.636 4.340 0.000 0.000 0.254 416 Q C -3.236 172.660 176.000 -0.173 0.000 0.962 416 Q CA -1.473 54.259 55.803 -0.119 0.000 0.982 416 Q CB 1.881 30.622 28.738 0.005 0.000 1.516 416 Q HN 0.527 nan 8.270 nan 0.000 0.426 417 P HA 0.164 nan 4.420 nan 0.000 0.271 417 P C -0.963 176.435 177.300 0.164 0.000 1.226 417 P CA 0.111 63.186 63.100 -0.042 0.000 0.765 417 P CB 0.080 31.775 31.700 -0.009 0.000 0.835 418 F N 2.013 121.965 119.950 0.004 0.000 2.385 418 F HA 0.231 4.758 4.527 0.000 0.000 0.336 418 F C 2.034 177.845 175.800 0.019 0.000 1.100 418 F CA -0.812 57.193 58.000 0.008 0.000 1.116 418 F CB 0.709 39.712 39.000 0.005 0.000 1.166 418 F HN 0.370 nan 8.300 nan 0.000 0.511 419 Q N 1.309 121.221 119.800 0.187 0.000 2.226 419 Q HA -0.100 4.240 4.340 0.000 0.000 0.204 419 Q C 1.996 178.062 176.000 0.109 0.000 0.975 419 Q CA 1.012 56.881 55.803 0.109 0.000 0.866 419 Q CB -0.162 28.608 28.738 0.053 0.000 0.915 419 Q HN 0.533 nan 8.270 nan 0.000 0.440 420 V N 0.816 120.803 119.914 0.122 0.000 2.427 420 V HA -0.227 3.893 4.120 0.000 0.000 0.248 420 V C 2.071 178.243 176.094 0.131 0.000 1.051 420 V CA 1.809 64.170 62.300 0.102 0.000 1.048 420 V CB -0.506 31.361 31.823 0.073 0.000 0.666 420 V HN 0.421 nan 8.190 nan 0.000 0.456 421 A N -1.194 121.714 122.820 0.147 0.000 2.167 421 A HA -0.113 4.207 4.320 0.000 0.000 0.214 421 A C 1.929 179.636 177.584 0.204 0.000 1.151 421 A CA 0.961 53.079 52.037 0.135 0.000 0.735 421 A CB -0.360 18.673 19.000 0.054 0.000 0.802 421 A HN 0.617 nan 8.150 nan 0.000 0.467 422 E N -0.218 120.077 120.200 0.159 0.000 2.132 422 E HA -0.265 4.085 4.350 0.000 0.000 0.218 422 E C 1.816 178.480 176.600 0.108 0.000 1.058 422 E CA 1.917 58.391 56.400 0.122 0.000 0.882 422 E CB -0.526 29.225 29.700 0.085 0.000 0.774 422 E HN 0.376 nan 8.360 nan 0.000 0.467 423 V N 0.250 120.233 119.914 0.115 0.000 2.439 423 V HA -0.264 3.856 4.120 0.000 0.000 0.253 423 V C 1.826 177.854 176.094 -0.111 0.000 1.074 423 V CA 1.882 64.174 62.300 -0.014 0.000 1.076 423 V CB -0.455 31.337 31.823 -0.052 0.000 0.664 423 V HN 0.206 nan 8.190 nan 0.000 0.461 424 F N -0.097 119.846 119.950 -0.012 0.000 2.437 424 F HA 0.011 4.538 4.527 0.000 0.000 0.288 424 F C 2.562 178.357 175.800 -0.007 0.000 1.085 424 F CA 1.266 59.258 58.000 -0.014 0.000 1.430 424 F CB -0.855 38.134 39.000 -0.018 0.000 1.120 424 F HN 0.223 nan 8.300 nan 0.000 0.556 425 T N -2.850 111.828 114.554 0.205 0.000 3.081 425 T HA 0.269 4.619 4.350 0.000 0.000 0.255 425 T C 1.691 176.423 174.700 0.054 0.000 1.113 425 T CA 0.533 62.739 62.100 0.176 0.000 1.082 425 T CB -0.406 68.595 68.868 0.221 0.000 0.939 425 T HN 0.415 nan 8.240 nan 0.000 0.506 426 G N 1.287 110.064 108.800 -0.039 0.000 2.323 426 G HA2 -0.220 3.740 3.960 0.000 0.000 0.292 426 G HA3 -0.220 3.740 3.960 0.000 0.000 0.292 426 G C -0.305 174.340 174.900 -0.424 0.000 1.040 426 G CA 0.397 45.373 45.100 -0.206 0.000 0.942 426 G HN 0.852 nan 8.290 nan 0.000 0.506 427 H N -2.040 117.044 119.070 0.024 0.000 2.856 427 H HA 0.475 5.032 4.556 0.000 0.000 0.355 427 H C -0.040 175.302 175.328 0.024 0.000 1.079 427 H CA -1.090 54.969 56.048 0.018 0.000 1.240 427 H CB 1.550 31.319 29.762 0.011 0.000 1.701 427 H HN 0.244 nan 8.280 nan 0.000 0.527 428 L N 2.581 123.886 121.223 0.136 0.000 2.559 428 L HA 0.229 4.569 4.340 0.000 0.000 0.274 428 L C 0.833 177.759 176.870 0.093 0.000 1.205 428 L CA 0.556 55.448 54.840 0.087 0.000 0.907 428 L CB 0.121 42.216 42.059 0.060 0.000 1.153 428 L HN 0.842 nan 8.230 nan 0.000 0.490 429 G N 4.570 113.423 108.800 0.089 0.000 2.483 429 G HA2 0.250 4.210 3.960 0.000 0.000 0.248 429 G HA3 0.250 4.210 3.960 0.000 0.000 0.248 429 G C -0.590 174.357 174.900 0.078 0.000 1.248 429 G CA -0.608 44.555 45.100 0.105 0.000 0.838 429 G HN 0.565 nan 8.290 nan 0.000 0.566 430 K N 1.635 122.087 120.400 0.087 0.000 2.483 430 K HA 0.195 4.515 4.320 0.000 0.000 0.256 430 K C -1.055 175.578 176.600 0.055 0.000 0.961 430 K CA -0.922 55.400 56.287 0.057 0.000 0.873 430 K CB 2.104 34.630 32.500 0.044 0.000 1.107 430 K HN 0.315 nan 8.250 nan 0.000 0.432 431 L N 4.395 125.633 121.223 0.025 0.000 2.282 431 L HA 0.227 4.567 4.340 0.000 0.000 0.287 431 L C -0.858 176.012 176.870 -0.000 0.000 1.075 431 L CA -0.436 54.404 54.840 0.000 0.000 0.839 431 L CB 0.722 42.765 42.059 -0.026 0.000 1.219 431 L HN 0.219 nan 8.230 nan 0.000 0.434 432 V N 7.606 127.524 119.914 0.006 0.000 2.385 432 V HA 0.401 4.521 4.120 0.000 0.000 0.269 432 V C -1.903 174.194 176.094 0.005 0.000 1.043 432 V CA -1.436 60.871 62.300 0.011 0.000 0.906 432 V CB 0.737 32.569 31.823 0.015 0.000 0.995 432 V HN 0.701 nan 8.190 nan 0.000 0.467 433 P HA 0.110 nan 4.420 nan 0.000 0.271 433 P C 0.800 178.110 177.300 0.015 0.000 1.216 433 P CA -0.374 62.729 63.100 0.006 0.000 0.771 433 P CB 0.828 32.532 31.700 0.007 0.000 0.864 434 L N 4.254 125.484 121.223 0.013 0.000 2.103 434 L HA -0.275 4.065 4.340 0.000 0.000 0.215 434 L C 1.901 178.768 176.870 -0.006 0.000 1.080 434 L CA 2.085 56.925 54.840 0.001 0.000 0.764 434 L CB -0.759 41.313 42.059 0.021 0.000 0.890 434 L HN 0.323 nan 8.230 nan 0.000 0.435 435 K N -1.052 119.357 120.400 0.015 0.000 2.026 435 K HA -0.153 4.167 4.320 0.000 0.000 0.208 435 K C 1.936 178.564 176.600 0.047 0.000 1.048 435 K CA 1.427 57.729 56.287 0.025 0.000 0.929 435 K CB -0.373 32.145 32.500 0.029 0.000 0.713 435 K HN 0.348 nan 8.250 nan 0.000 0.439 436 E N 0.783 121.017 120.200 0.056 0.000 2.051 436 E HA -0.135 4.215 4.350 0.000 0.000 0.192 436 E C 2.217 178.900 176.600 0.138 0.000 0.991 436 E CA 1.415 57.868 56.400 0.087 0.000 0.799 436 E CB -0.499 29.246 29.700 0.075 0.000 0.748 436 E HN 0.304 nan 8.360 nan 0.000 0.449 437 T N 2.698 117.326 114.554 0.123 0.000 2.595 437 T HA -0.149 4.201 4.350 0.000 0.000 0.264 437 T C 2.064 176.933 174.700 0.282 0.000 1.058 437 T CA 1.307 63.534 62.100 0.211 0.000 1.166 437 T CB -0.261 68.667 68.868 0.100 0.000 0.863 437 T HN 0.082 nan 8.240 nan 0.000 0.415 438 I N 1.272 121.902 120.570 0.100 0.000 2.151 438 I HA -0.230 3.940 4.170 0.000 0.000 0.243 438 I C 2.391 178.602 176.117 0.156 0.000 1.080 438 I CA 1.722 63.063 61.300 0.069 0.000 1.339 438 I CB -0.915 37.061 38.000 -0.041 0.000 1.039 438 I HN 0.338 nan 8.210 nan 0.000 0.409 439 K N 0.849 121.333 120.400 0.139 0.000 1.991 439 K HA -0.135 4.185 4.320 0.000 0.000 0.212 439 K C 2.238 178.946 176.600 0.179 0.000 1.049 439 K CA 1.595 57.964 56.287 0.136 0.000 0.932 439 K CB -0.702 31.866 32.500 0.113 0.000 0.717 439 K HN 0.433 nan 8.250 nan 0.000 0.441 440 G N 1.167 110.098 108.800 0.217 0.000 2.628 440 G HA2 -0.281 3.679 3.960 0.000 0.000 0.217 440 G HA3 -0.281 3.679 3.960 0.000 0.000 0.217 440 G C 1.310 176.284 174.900 0.122 0.000 1.240 440 G CA 1.328 46.534 45.100 0.176 0.000 0.792 440 G HN 0.193 nan 8.290 nan 0.000 0.593 441 F N 0.883 121.023 119.950 0.316 0.000 2.202 441 F HA -0.067 4.461 4.527 0.000 0.000 0.301 441 F C 2.920 178.783 175.800 0.106 0.000 1.082 441 F CA 1.645 59.769 58.000 0.206 0.000 1.313 441 F CB -0.385 38.705 39.000 0.150 0.000 1.024 441 F HN 0.214 nan 8.300 nan 0.000 0.495 442 Q N 0.281 120.230 119.800 0.249 0.000 2.050 442 Q HA -0.255 4.085 4.340 0.000 0.000 0.202 442 Q C 2.154 178.205 176.000 0.084 0.000 0.980 442 Q CA 1.833 57.720 55.803 0.140 0.000 0.840 442 Q CB -0.110 28.695 28.738 0.112 0.000 0.898 442 Q HN 0.502 nan 8.270 nan 0.000 0.424 443 Q N -0.216 119.636 119.800 0.085 0.000 2.119 443 Q HA -0.129 4.211 4.340 0.000 0.000 0.201 443 Q C 2.044 178.041 176.000 -0.006 0.000 0.972 443 Q CA 1.139 56.946 55.803 0.006 0.000 0.847 443 Q CB 0.051 28.819 28.738 0.049 0.000 0.903 443 Q HN 0.472 nan 8.270 nan 0.000 0.433 444 I N 0.428 121.033 120.570 0.059 0.000 2.439 444 I HA -0.192 3.978 4.170 0.000 0.000 0.251 444 I C 2.126 178.230 176.117 -0.021 0.000 1.139 444 I CA 1.128 62.423 61.300 -0.008 0.000 1.438 444 I CB -0.803 37.111 38.000 -0.143 0.000 1.085 444 I HN 0.253 nan 8.210 nan 0.000 0.427 445 L N 0.979 122.216 121.223 0.023 0.000 2.156 445 L HA -0.102 4.239 4.340 0.000 0.000 0.208 445 L C 2.897 179.766 176.870 -0.003 0.000 1.095 445 L CA 1.071 55.922 54.840 0.019 0.000 0.770 445 L CB -0.557 41.531 42.059 0.049 0.000 0.914 445 L HN 0.185 nan 8.230 nan 0.000 0.439 446 A N -0.376 122.437 122.820 -0.012 0.000 1.902 446 A HA 0.015 4.335 4.320 0.000 0.000 0.217 446 A C 1.896 179.455 177.584 -0.043 0.000 1.181 446 A CA 1.770 53.790 52.037 -0.029 0.000 0.623 446 A CB -0.560 18.412 19.000 -0.048 0.000 0.818 446 A HN 0.535 nan 8.150 nan 0.000 0.443 447 G N -1.808 106.956 108.800 -0.060 0.000 2.205 447 G HA2 -0.170 3.790 3.960 0.000 0.000 0.180 447 G HA3 -0.170 3.790 3.960 0.000 0.000 0.180 447 G C 0.520 175.382 174.900 -0.063 0.000 1.004 447 G CA 0.608 45.681 45.100 -0.046 0.000 0.670 447 G HN 0.468 nan 8.290 nan 0.000 0.496 448 E N -0.708 119.390 120.200 -0.169 0.000 2.160 448 E HA -0.080 4.270 4.350 0.000 0.000 0.195 448 E C 0.880 177.333 176.600 -0.245 0.000 0.991 448 E CA 1.231 57.459 56.400 -0.288 0.000 0.810 448 E CB -0.104 29.248 29.700 -0.580 0.000 0.742 448 E HN 0.672 nan 8.360 nan 0.000 0.466 449 Y N 0.129 120.446 120.300 0.028 0.000 2.708 449 Y HA 0.137 4.687 4.550 0.000 0.000 0.287 449 Y C 0.401 176.240 175.900 -0.101 0.000 1.145 449 Y CA -0.499 57.549 58.100 -0.087 0.000 1.249 449 Y CB 0.303 38.785 38.460 0.038 0.000 1.152 449 Y HN -0.104 nan 8.280 nan 0.000 0.532 450 D N -0.399 120.061 120.400 0.100 0.000 2.371 450 D HA -0.090 4.550 4.640 0.000 0.000 0.234 450 D C 1.384 177.753 176.300 0.115 0.000 1.049 450 D CA 0.838 54.882 54.000 0.074 0.000 0.907 450 D CB -0.239 40.596 40.800 0.059 0.000 0.891 450 D HN 0.594 nan 8.370 nan 0.000 0.531 451 H N -1.199 117.930 119.070 0.099 0.000 2.512 451 H HA 0.300 4.856 4.556 0.000 0.000 0.276 451 H C -0.017 175.360 175.328 0.082 0.000 1.126 451 H CA -0.261 55.830 56.048 0.072 0.000 1.060 451 H CB -0.018 29.773 29.762 0.049 0.000 1.646 451 H HN 0.007 nan 8.280 nan 0.000 0.571 452 L N 1.917 123.073 121.223 -0.112 0.000 2.341 452 L HA 0.487 4.827 4.340 0.000 0.000 0.267 452 L C -2.417 174.481 176.870 0.047 0.000 1.009 452 L CA -2.361 52.430 54.840 -0.081 0.000 0.819 452 L CB 2.222 44.144 42.059 -0.228 0.000 1.323 452 L HN -0.030 nan 8.230 nan 0.000 0.425 453 P HA 0.137 nan 4.420 nan 0.000 0.275 453 P C 0.015 177.382 177.300 0.112 0.000 1.227 453 P CA -0.222 62.901 63.100 0.037 0.000 0.781 453 P CB 1.061 32.757 31.700 -0.006 0.000 0.906 454 E N 1.299 121.580 120.200 0.135 0.000 2.055 454 E HA -0.281 4.069 4.350 0.000 0.000 0.209 454 E C 1.825 178.549 176.600 0.207 0.000 1.036 454 E CA 1.394 57.914 56.400 0.200 0.000 0.849 454 E CB -0.315 29.424 29.700 0.065 0.000 0.767 454 E HN 0.496 nan 8.360 nan 0.000 0.461 455 Q N -0.409 119.438 119.800 0.078 0.000 2.366 455 Q HA -0.238 4.102 4.340 0.000 0.000 0.214 455 Q C 2.021 178.054 176.000 0.055 0.000 0.994 455 Q CA 1.389 57.234 55.803 0.070 0.000 0.909 455 Q CB -0.356 28.391 28.738 0.014 0.000 0.918 455 Q HN 0.346 nan 8.270 nan 0.000 0.436 456 A N -0.728 122.044 122.820 -0.079 0.000 2.067 456 A HA -0.091 4.229 4.320 0.000 0.000 0.219 456 A C 1.316 178.637 177.584 -0.438 0.000 1.158 456 A CA 0.797 52.632 52.037 -0.335 0.000 0.661 456 A CB -0.406 18.243 19.000 -0.585 0.000 0.801 456 A HN 0.305 nan 8.150 nan 0.000 0.452 457 F N -2.778 117.141 119.950 -0.051 0.000 2.727 457 F HA 0.249 4.776 4.527 0.000 0.000 0.302 457 F C 0.506 176.402 175.800 0.160 0.000 1.097 457 F CA -0.642 57.347 58.000 -0.017 0.000 1.330 457 F CB -0.224 38.714 39.000 -0.103 0.000 1.084 457 F HN 0.245 nan 8.300 nan 0.000 0.578 458 Y N 2.026 122.407 120.300 0.135 0.000 2.336 458 Y HA 0.337 4.887 4.550 0.000 0.000 0.335 458 Y C 0.685 176.603 175.900 0.030 0.000 1.046 458 Y CA -1.632 56.518 58.100 0.082 0.000 1.198 458 Y CB 0.289 38.773 38.460 0.041 0.000 1.182 458 Y HN 0.078 nan 8.280 nan 0.000 0.502 459 M N 6.005 125.278 119.600 -0.546 0.000 2.212 459 M HA -0.174 4.306 4.480 0.000 0.000 0.193 459 M C -0.889 175.283 176.300 -0.213 0.000 0.493 459 M CA 0.994 56.009 55.300 -0.476 0.000 0.427 459 M CB -2.846 29.321 32.600 -0.722 0.000 1.120 459 M HN 0.406 nan 8.290 nan 0.000 0.929 460 V N -2.955 116.915 119.914 -0.073 0.000 3.229 460 V HA 1.103 5.223 4.120 0.000 0.000 0.310 460 V C 0.745 176.850 176.094 0.019 0.000 1.206 460 V CA 0.011 62.305 62.300 -0.010 0.000 1.051 460 V CB 1.552 33.397 31.823 0.037 0.000 1.183 460 V HN 0.408 nan 8.190 nan 0.000 0.466 461 G N -0.579 108.248 108.800 0.046 0.000 2.727 461 G HA2 0.490 4.450 3.960 0.000 0.000 0.212 461 G HA3 0.490 4.450 3.960 0.000 0.000 0.212 461 G C -2.435 172.524 174.900 0.099 0.000 2.076 461 G CA -0.404 44.721 45.100 0.042 0.000 0.744 461 G HN 0.733 nan 8.290 nan 0.000 0.775 462 P HA 0.124 nan 4.420 nan 0.000 0.269 462 P C 0.710 178.094 177.300 0.139 0.000 1.209 462 P CA -0.399 62.768 63.100 0.112 0.000 0.776 462 P CB 1.428 33.161 31.700 0.055 0.000 0.876 463 I N 2.144 122.801 120.570 0.145 0.000 2.335 463 I HA -0.288 3.882 4.170 0.000 0.000 0.251 463 I C 1.789 177.771 176.117 -0.225 0.000 1.129 463 I CA 1.850 63.085 61.300 -0.108 0.000 1.402 463 I CB -0.616 37.291 38.000 -0.155 0.000 1.069 463 I HN 0.272 nan 8.210 nan 0.000 0.424 464 E N 0.742 120.881 120.200 -0.102 0.000 2.097 464 E HA -0.267 4.083 4.350 0.000 0.000 0.196 464 E C 2.090 178.604 176.600 -0.143 0.000 1.000 464 E CA 1.834 58.170 56.400 -0.106 0.000 0.804 464 E CB -0.378 29.300 29.700 -0.037 0.000 0.740 464 E HN 0.599 nan 8.360 nan 0.000 0.454 465 E N -0.175 119.963 120.200 -0.103 0.000 2.333 465 E HA -0.146 4.204 4.350 0.000 0.000 0.198 465 E C 1.816 178.301 176.600 -0.192 0.000 1.007 465 E CA 0.674 57.012 56.400 -0.104 0.000 0.845 465 E CB -0.074 29.600 29.700 -0.044 0.000 0.766 465 E HN 0.297 nan 8.360 nan 0.000 0.507 466 A N 0.708 123.340 122.820 -0.314 0.000 1.874 466 A HA -0.078 4.242 4.320 0.000 0.000 0.214 466 A C 2.452 179.653 177.584 -0.638 0.000 1.189 466 A CA 0.676 52.373 52.037 -0.567 0.000 0.615 466 A CB -0.384 18.087 19.000 -0.881 0.000 0.830 466 A HN 0.103 nan 8.150 nan 0.000 0.443 467 V N 0.201 119.787 119.914 -0.547 0.000 2.343 467 V HA -0.244 3.876 4.120 0.000 0.000 0.247 467 V C 3.035 178.983 176.094 -0.244 0.000 1.051 467 V CA 1.890 63.953 62.300 -0.394 0.000 1.036 467 V CB -1.330 30.342 31.823 -0.251 0.000 0.654 467 V HN 0.589 nan 8.190 nan 0.000 0.451 468 A N -0.283 122.421 122.820 -0.194 0.000 1.877 468 A HA -0.271 4.049 4.320 0.000 0.000 0.216 468 A C 2.374 179.885 177.584 -0.123 0.000 1.186 468 A CA 2.216 54.179 52.037 -0.123 0.000 0.620 468 A CB -0.505 18.439 19.000 -0.092 0.000 0.822 468 A HN 0.495 nan 8.150 nan 0.000 0.443 469 K N -0.452 119.853 120.400 -0.158 0.000 2.097 469 K HA -0.088 4.232 4.320 0.000 0.000 0.206 469 K C 2.215 178.731 176.600 -0.140 0.000 1.049 469 K CA 1.071 57.278 56.287 -0.133 0.000 0.933 469 K CB -0.314 32.098 32.500 -0.147 0.000 0.717 469 K HN 0.395 nan 8.250 nan 0.000 0.442 470 A N 1.917 124.611 122.820 -0.210 0.000 1.865 470 A HA -0.232 4.088 4.320 0.000 0.000 0.217 470 A C 1.667 179.190 177.584 -0.102 0.000 1.191 470 A CA 2.212 54.138 52.037 -0.186 0.000 0.623 470 A CB -0.736 18.107 19.000 -0.262 0.000 0.826 470 A HN 0.365 nan 8.150 nan 0.000 0.444 471 D N -0.258 120.088 120.400 -0.090 0.000 2.123 471 D HA -0.137 4.503 4.640 0.000 0.000 0.196 471 D C 1.906 178.183 176.300 -0.038 0.000 0.992 471 D CA 1.567 55.538 54.000 -0.048 0.000 0.833 471 D CB -0.308 40.467 40.800 -0.041 0.000 0.954 471 D HN 0.537 nan 8.370 nan 0.000 0.455 472 K N -0.059 120.314 120.400 -0.045 0.000 2.211 472 K HA 0.017 4.337 4.320 0.000 0.000 0.203 472 K C 2.185 178.770 176.600 -0.025 0.000 1.050 472 K CA 0.427 56.697 56.287 -0.030 0.000 0.945 472 K CB 0.088 32.571 32.500 -0.028 0.000 0.732 472 K HN 0.174 nan 8.250 nan 0.000 0.451 473 L N 0.394 121.596 121.223 -0.035 0.000 2.127 473 L HA 0.050 4.390 4.340 0.000 0.000 0.203 473 L C 0.925 177.784 176.870 -0.019 0.000 1.080 473 L CA 0.301 55.126 54.840 -0.025 0.000 0.768 473 L CB -0.513 41.526 42.059 -0.033 0.000 0.924 473 L HN 0.193 nan 8.230 nan 0.000 0.444 474 A N 0.000 122.806 122.820 -0.023 0.000 2.254 474 A HA 0.000 4.320 4.320 0.000 0.000 0.244 474 A CA 0.000 52.030 52.037 -0.012 0.000 0.836 474 A CB 0.000 18.996 19.000 -0.007 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486