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 1e1q_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 0.000 174.893 174.700 0.321 0.000 1.109 9 T CA 0.000 62.196 62.100 0.160 0.000 1.349 9 T CB 0.000 68.968 68.868 0.167 0.000 0.612 10 T N 2.567 117.263 114.554 0.238 0.000 2.756 10 T HA 0.714 5.064 4.350 0.000 0.000 0.290 10 T C 0.835 175.475 174.700 -0.101 0.000 0.985 10 T CA -0.276 61.897 62.100 0.123 0.000 0.955 10 T CB 1.202 70.087 68.868 0.028 0.000 0.930 10 T HN 1.051 nan 8.240 nan 0.000 0.451 11 G N 2.555 110.991 108.800 -0.605 0.000 2.642 11 G HA2 0.759 4.719 3.960 0.000 0.000 0.291 11 G HA3 0.759 4.719 3.960 0.000 0.000 0.291 11 G C -0.809 173.738 174.900 -0.588 0.000 1.345 11 G CA -1.034 43.321 45.100 -1.241 0.000 1.043 11 G HN 0.635 nan 8.290 nan 0.000 0.528 12 R N -1.148 119.064 120.500 -0.479 0.000 2.744 12 R HA 0.441 4.781 4.340 0.000 0.000 0.279 12 R C -0.760 175.416 176.300 -0.207 0.000 0.977 12 R CA -0.848 55.098 56.100 -0.257 0.000 0.906 12 R CB 2.401 32.598 30.300 -0.172 0.000 1.197 12 R HN 0.336 nan 8.270 nan 0.000 0.463 13 I N 2.652 123.144 120.570 -0.131 0.000 2.533 13 I HA -0.039 4.131 4.170 0.000 0.000 0.284 13 I C 1.307 177.382 176.117 -0.070 0.000 1.109 13 I CA 0.001 61.249 61.300 -0.087 0.000 1.412 13 I CB 1.118 39.084 38.000 -0.055 0.000 1.396 13 I HN 0.573 nan 8.210 nan 0.000 0.543 14 V N 3.014 122.893 119.914 -0.057 0.000 3.605 14 V HA 0.593 4.713 4.120 0.000 0.000 0.284 14 V C 0.513 176.590 176.094 -0.028 0.000 1.386 14 V CA 0.155 62.429 62.300 -0.043 0.000 1.053 14 V CB 0.001 31.799 31.823 -0.041 0.000 0.857 14 V HN 0.725 nan 8.190 nan 0.000 0.436 15 A N -0.257 122.549 122.820 -0.023 0.000 2.555 15 A HA 0.771 5.091 4.320 0.000 0.000 0.297 15 A C -1.323 176.254 177.584 -0.011 0.000 1.060 15 A CA -0.344 51.684 52.037 -0.015 0.000 0.710 15 A CB 2.034 21.028 19.000 -0.010 0.000 1.282 15 A HN 0.446 nan 8.150 nan 0.000 0.399 16 V N 3.098 123.006 119.914 -0.009 0.000 2.482 16 V HA 0.514 4.634 4.120 0.000 0.000 0.295 16 V C -0.813 175.278 176.094 -0.004 0.000 1.026 16 V CA -0.064 62.233 62.300 -0.006 0.000 0.856 16 V CB 1.391 33.210 31.823 -0.007 0.000 1.001 16 V HN 0.720 nan 8.190 nan 0.000 0.424 17 I N 4.786 125.355 120.570 -0.002 0.000 2.563 17 I HA 0.612 4.782 4.170 0.000 0.000 0.276 17 I C 0.980 177.097 176.117 -0.001 0.000 1.074 17 I CA 0.080 61.380 61.300 -0.002 0.000 1.124 17 I CB 1.306 39.305 38.000 -0.002 0.000 1.225 17 I HN 0.837 nan 8.210 nan 0.000 0.482 18 G N 4.613 113.413 108.800 -0.001 0.000 2.591 18 G HA2 -0.349 3.611 3.960 0.000 0.000 0.298 18 G HA3 -0.349 3.611 3.960 0.000 0.000 0.298 18 G C 0.773 175.675 174.900 0.002 0.000 1.195 18 G CA 0.388 45.488 45.100 0.000 0.000 0.989 18 G HN 0.835 nan 8.290 nan 0.000 0.551 19 A N -0.443 122.378 122.820 0.002 0.000 2.327 19 A HA 0.608 4.928 4.320 0.000 0.000 0.228 19 A C 0.603 178.191 177.584 0.007 0.000 1.275 19 A CA 1.342 53.382 52.037 0.005 0.000 0.875 19 A CB -0.122 18.881 19.000 0.005 0.000 0.925 19 A HN 1.459 nan 8.150 nan 0.000 0.493 20 V N 0.195 120.112 119.914 0.005 0.000 2.555 20 V HA 0.536 4.656 4.120 0.000 0.000 0.302 20 V C -0.671 175.427 176.094 0.007 0.000 1.038 20 V CA -0.537 61.768 62.300 0.007 0.000 0.887 20 V CB 1.722 33.548 31.823 0.005 0.000 0.991 20 V HN 0.040 nan 8.190 nan 0.000 0.434 21 V N 2.857 122.777 119.914 0.010 0.000 2.668 21 V HA 0.472 4.592 4.120 0.000 0.000 0.304 21 V C -1.304 174.796 176.094 0.010 0.000 1.071 21 V CA -0.738 61.566 62.300 0.007 0.000 0.894 21 V CB 2.254 34.082 31.823 0.008 0.000 1.008 21 V HN 0.831 nan 8.190 nan 0.000 0.425 22 D N 3.178 123.579 120.400 0.002 0.000 2.280 22 D HA 0.572 5.212 4.640 0.000 0.000 0.236 22 D C -0.488 175.804 176.300 -0.013 0.000 1.082 22 D CA -0.019 53.982 54.000 0.002 0.000 0.834 22 D CB 2.136 42.935 40.800 -0.002 0.000 1.100 22 D HN 0.275 nan 8.370 nan 0.000 0.486 23 V N 2.566 122.480 119.914 -0.000 0.000 2.495 23 V HA 0.322 4.442 4.120 0.000 0.000 0.298 23 V C 0.035 176.098 176.094 -0.051 0.000 1.031 23 V CA -0.890 61.380 62.300 -0.048 0.000 0.871 23 V CB 1.878 33.699 31.823 -0.005 0.000 0.988 23 V HN 0.382 nan 8.190 nan 0.000 0.432 24 Q N 2.813 122.518 119.800 -0.159 0.000 2.290 24 Q HA 0.570 4.910 4.340 0.000 0.000 0.259 24 Q C -1.821 174.017 176.000 -0.270 0.000 0.941 24 Q CA -0.470 55.265 55.803 -0.114 0.000 0.912 24 Q CB 1.281 29.969 28.738 -0.083 0.000 1.244 24 Q HN 0.664 nan 8.270 nan 0.000 0.441 25 F N 2.813 122.735 119.950 -0.047 0.000 2.402 25 F HA 0.198 4.726 4.527 0.000 0.000 0.355 25 F C 0.644 176.426 175.800 -0.030 0.000 1.123 25 F CA -0.606 57.370 58.000 -0.040 0.000 1.021 25 F CB 1.563 40.532 39.000 -0.052 0.000 1.160 25 F HN 0.644 nan 8.300 nan 0.000 0.451 26 D N 1.880 122.338 120.400 0.096 0.000 2.149 26 D HA -0.067 4.573 4.640 0.000 0.000 0.201 26 D C 1.318 177.662 176.300 0.074 0.000 0.972 26 D CA 1.484 55.520 54.000 0.059 0.000 0.835 26 D CB 0.383 41.196 40.800 0.021 0.000 0.966 26 D HN 0.645 nan 8.370 nan 0.000 0.476 27 E N -0.441 119.819 120.200 0.100 0.000 2.933 27 E HA 0.342 4.692 4.350 0.000 0.000 0.301 27 E C 0.850 177.492 176.600 0.069 0.000 0.836 27 E CA -0.081 56.361 56.400 0.071 0.000 1.213 27 E CB -0.230 29.503 29.700 0.055 0.000 2.349 27 E HN 0.014 nan 8.360 nan 0.000 0.558 28 G N 1.425 110.257 108.800 0.054 0.000 2.356 28 G HA2 0.313 4.273 3.960 0.000 0.000 0.273 28 G HA3 0.313 4.273 3.960 0.000 0.000 0.273 28 G C -0.809 174.037 174.900 -0.090 0.000 1.213 28 G CA -0.122 44.974 45.100 -0.007 0.000 0.955 28 G HN -0.010 nan 8.290 nan 0.000 0.454 29 L N 5.824 126.993 121.223 -0.090 0.000 2.290 29 L HA 0.371 4.711 4.340 0.000 0.000 0.284 29 L C -1.577 175.145 176.870 -0.246 0.000 1.078 29 L CA -1.746 52.977 54.840 -0.195 0.000 0.815 29 L CB 1.319 43.327 42.059 -0.085 0.000 1.162 29 L HN 0.351 nan 8.230 nan 0.000 0.435 30 P HA 0.227 nan 4.420 nan 0.000 0.276 30 P C -2.706 174.544 177.300 -0.083 0.000 1.243 30 P CA -1.352 61.561 63.100 -0.311 0.000 0.768 30 P CB 0.289 31.709 31.700 -0.466 0.000 0.856 31 P HA 0.119 nan 4.420 nan 0.000 0.271 31 P C 0.489 177.869 177.300 0.133 0.000 1.233 31 P CA -0.099 63.092 63.100 0.151 0.000 0.789 31 P CB 0.691 32.409 31.700 0.030 0.000 0.951 32 I N 1.374 122.019 120.570 0.124 0.000 2.813 32 I HA -0.091 4.079 4.170 0.000 0.000 0.287 32 I C 1.602 177.702 176.117 -0.028 0.000 1.196 32 I CA 0.467 61.799 61.300 0.052 0.000 1.421 32 I CB -0.294 37.709 38.000 0.004 0.000 1.365 32 I HN 0.393 nan 8.210 nan 0.000 0.591 33 L N 1.803 122.991 121.223 -0.058 0.000 4.892 33 L HA -0.247 4.093 4.340 0.000 0.000 0.403 33 L C -0.041 176.820 176.870 -0.015 0.000 0.913 33 L CA 0.075 54.833 54.840 -0.137 0.000 1.653 33 L CB -1.706 40.159 42.059 -0.324 0.000 1.780 33 L HN 0.720 nan 8.230 nan 0.000 0.597 34 N N 0.582 119.285 118.700 0.004 0.000 2.483 34 N HA 0.600 5.340 4.740 0.000 0.000 0.269 34 N C 0.190 175.721 175.510 0.035 0.000 1.209 34 N CA 0.669 53.729 53.050 0.017 0.000 0.969 34 N CB 1.105 39.577 38.487 -0.026 0.000 1.173 34 N HN 0.274 nan 8.380 nan 0.000 0.475 35 A N 1.758 124.603 122.820 0.041 0.000 2.290 35 A HA 0.618 4.938 4.320 0.000 0.000 0.310 35 A C -0.642 176.967 177.584 0.042 0.000 1.202 35 A CA -0.528 51.539 52.037 0.050 0.000 0.837 35 A CB 0.097 19.131 19.000 0.056 0.000 1.139 35 A HN 0.593 nan 8.150 nan 0.000 0.509 36 L N 1.894 123.153 121.223 0.060 0.000 2.342 36 L HA 0.525 4.865 4.340 0.000 0.000 0.271 36 L C -0.435 176.477 176.870 0.070 0.000 1.008 36 L CA -0.856 54.035 54.840 0.086 0.000 0.818 36 L CB 1.862 44.002 42.059 0.136 0.000 1.296 36 L HN 0.597 nan 8.230 nan 0.000 0.427 37 E N 2.605 122.847 120.200 0.069 0.000 2.113 37 E HA 0.298 4.648 4.350 0.000 0.000 0.273 37 E C -0.738 175.888 176.600 0.044 0.000 0.924 37 E CA -0.610 55.819 56.400 0.048 0.000 0.764 37 E CB 2.374 32.096 29.700 0.037 0.000 1.104 37 E HN 0.188 nan 8.360 nan 0.000 0.406 38 V N 3.925 123.858 119.914 0.033 0.000 2.572 38 V HA -0.012 4.108 4.120 0.000 0.000 0.291 38 V C 0.539 176.640 176.094 0.011 0.000 1.039 38 V CA -0.268 62.043 62.300 0.018 0.000 1.055 38 V CB 0.692 32.522 31.823 0.012 0.000 0.969 38 V HN 0.464 nan 8.190 nan 0.000 0.482 39 Q N 2.659 122.461 119.800 0.003 0.000 2.235 39 Q HA 0.541 4.881 4.340 0.000 0.000 0.250 39 Q C 0.839 176.837 176.000 -0.004 0.000 0.909 39 Q CA 0.350 56.154 55.803 0.001 0.000 0.910 39 Q CB 1.500 30.236 28.738 -0.003 0.000 1.223 39 Q HN 1.153 nan 8.270 nan 0.000 0.432 40 G N 2.262 111.061 108.800 -0.001 0.000 2.288 40 G HA2 -0.194 3.766 3.960 0.000 0.000 0.205 40 G HA3 -0.194 3.766 3.960 0.000 0.000 0.205 40 G C -0.285 174.614 174.900 -0.001 0.000 1.071 40 G CA -0.409 44.689 45.100 -0.003 0.000 0.788 40 G HN 0.418 nan 8.290 nan 0.000 0.491 41 R N -0.784 119.717 120.500 0.002 0.000 2.651 41 R HA 0.406 4.746 4.340 0.000 0.000 0.278 41 R C 0.713 177.016 176.300 0.005 0.000 1.010 41 R CA -0.988 55.114 56.100 0.004 0.000 0.896 41 R CB 1.221 31.524 30.300 0.005 0.000 1.211 41 R HN 0.063 nan 8.270 nan 0.000 0.456 42 E N 0.722 120.925 120.200 0.005 0.000 2.038 42 E HA -0.104 4.246 4.350 0.000 0.000 0.195 42 E C 0.696 177.301 176.600 0.008 0.000 1.000 42 E CA 1.719 58.123 56.400 0.006 0.000 0.803 42 E CB -0.183 29.521 29.700 0.006 0.000 0.750 42 E HN 0.657 nan 8.360 nan 0.000 0.448 43 T N -0.527 114.033 114.554 0.009 0.000 2.936 43 T HA 0.454 4.804 4.350 0.000 0.000 0.282 43 T C 0.350 175.058 174.700 0.013 0.000 1.003 43 T CA -0.871 61.236 62.100 0.012 0.000 1.005 43 T CB 1.875 70.751 68.868 0.012 0.000 1.097 43 T HN -0.110 nan 8.240 nan 0.000 0.532 44 R N 0.662 121.172 120.500 0.016 0.000 2.296 44 R HA 0.319 4.659 4.340 0.000 0.000 0.323 44 R C -1.142 175.171 176.300 0.020 0.000 1.067 44 R CA -0.583 55.528 56.100 0.019 0.000 0.946 44 R CB -0.065 30.248 30.300 0.022 0.000 0.991 44 R HN 0.411 nan 8.270 nan 0.000 0.448 45 L N 6.692 127.927 121.223 0.021 0.000 2.335 45 L HA 0.278 4.618 4.340 0.000 0.000 0.268 45 L C -1.022 175.866 176.870 0.029 0.000 1.037 45 L CA -0.447 54.406 54.840 0.022 0.000 0.895 45 L CB 1.399 43.469 42.059 0.018 0.000 1.266 45 L HN 0.301 nan 8.230 nan 0.000 0.439 46 V N 5.753 125.687 119.914 0.033 0.000 2.583 46 V HA 0.299 4.419 4.120 0.000 0.000 0.287 46 V C 0.326 176.446 176.094 0.044 0.000 1.051 46 V CA -0.350 61.975 62.300 0.041 0.000 1.010 46 V CB 1.327 33.175 31.823 0.043 0.000 0.988 46 V HN 0.505 nan 8.190 nan 0.000 0.478 47 L N 4.324 125.577 121.223 0.051 0.000 2.333 47 L HA 0.545 4.885 4.340 0.000 0.000 0.280 47 L C 0.043 176.948 176.870 0.059 0.000 1.004 47 L CA -0.308 54.563 54.840 0.052 0.000 0.820 47 L CB 1.874 43.967 42.059 0.057 0.000 1.247 47 L HN 0.674 nan 8.230 nan 0.000 0.416 48 E N 2.724 122.958 120.200 0.058 0.000 2.174 48 E HA 0.310 4.660 4.350 0.000 0.000 0.282 48 E C -0.961 175.666 176.600 0.046 0.000 0.992 48 E CA -0.769 55.668 56.400 0.063 0.000 0.803 48 E CB 1.763 31.515 29.700 0.088 0.000 1.090 48 E HN 0.306 nan 8.360 nan 0.000 0.396 49 V N 4.154 124.089 119.914 0.035 0.000 2.540 49 V HA 0.070 4.190 4.120 0.000 0.000 0.297 49 V C 0.904 177.015 176.094 0.028 0.000 1.024 49 V CA 1.033 63.351 62.300 0.029 0.000 1.105 49 V CB 0.855 32.687 31.823 0.015 0.000 0.938 49 V HN 0.887 nan 8.190 nan 0.000 0.482 50 A N 4.240 127.082 122.820 0.036 0.000 2.211 50 A HA 0.387 4.707 4.320 0.000 0.000 0.208 50 A C 0.608 178.221 177.584 0.048 0.000 1.250 50 A CA 0.126 52.179 52.037 0.027 0.000 0.935 50 A CB 0.436 19.446 19.000 0.017 0.000 0.982 50 A HN 0.776 nan 8.150 nan 0.000 0.490 51 Q N -0.964 118.886 119.800 0.082 0.000 2.522 51 Q HA 0.342 4.682 4.340 0.000 0.000 0.285 51 Q C -1.683 174.433 176.000 0.192 0.000 0.982 51 Q CA -0.606 55.267 55.803 0.116 0.000 0.805 51 Q CB 1.615 30.392 28.738 0.065 0.000 1.457 51 Q HN 0.581 nan 8.270 nan 0.000 0.394 52 H N 2.147 121.217 119.070 0.000 0.000 2.623 52 H HA 0.255 4.811 4.556 0.000 0.000 0.299 52 H C 0.579 175.913 175.328 0.010 0.000 1.052 52 H CA -0.232 55.821 56.048 0.007 0.000 1.231 52 H CB 1.062 30.824 29.762 0.001 0.000 1.389 52 H HN 0.468 nan 8.280 nan 0.000 0.469 53 L N 2.584 123.865 121.223 0.097 0.000 2.217 53 L HA 0.057 4.397 4.340 0.000 0.000 0.211 53 L C 1.159 178.062 176.870 0.055 0.000 1.107 53 L CA 0.835 55.710 54.840 0.059 0.000 0.783 53 L CB -0.084 41.996 42.059 0.034 0.000 0.919 53 L HN 0.871 nan 8.230 nan 0.000 0.442 54 G N 0.011 108.850 108.800 0.064 0.000 2.629 54 G HA2 -0.135 3.825 3.960 0.000 0.000 0.686 54 G HA3 -0.135 3.825 3.960 0.000 0.000 0.686 54 G C -0.077 174.844 174.900 0.035 0.000 1.232 54 G CA -0.399 44.733 45.100 0.052 0.000 0.803 54 G HN 0.335 nan 8.290 nan 0.000 0.638 55 E N -0.675 119.544 120.200 0.032 0.000 2.468 55 E HA -0.196 4.154 4.350 0.000 0.000 0.264 55 E C 0.903 177.517 176.600 0.024 0.000 1.069 55 E CA 0.899 57.312 56.400 0.023 0.000 0.768 55 E CB -1.702 28.007 29.700 0.015 0.000 1.332 55 E HN 2.018 nan 8.360 nan 0.000 0.398 56 S N -1.577 114.143 115.700 0.033 0.000 3.521 56 S HA -0.209 4.261 4.470 0.000 0.000 0.328 56 S C 0.123 174.747 174.600 0.040 0.000 1.165 56 S CA 1.641 59.865 58.200 0.040 0.000 0.941 56 S CB -0.847 62.379 63.200 0.043 0.000 0.951 56 S HN 0.485 nan 8.310 nan 0.000 0.539 57 T N 1.172 115.737 114.554 0.018 0.000 2.829 57 T HA 0.648 4.998 4.350 0.000 0.000 0.280 57 T C 0.127 174.821 174.700 -0.011 0.000 0.999 57 T CA -0.330 61.778 62.100 0.014 0.000 0.983 57 T CB 1.922 70.795 68.868 0.008 0.000 0.968 57 T HN 0.518 nan 8.240 nan 0.000 0.446 58 V N 1.122 121.037 119.914 0.002 0.000 2.815 58 V HA 0.803 4.923 4.120 0.000 0.000 0.314 58 V C -0.407 175.697 176.094 0.017 0.000 1.064 58 V CA -1.467 60.814 62.300 -0.032 0.000 0.952 58 V CB 1.851 33.609 31.823 -0.108 0.000 1.020 58 V HN 0.900 nan 8.190 nan 0.000 0.439 59 R N 2.278 122.791 120.500 0.021 0.000 2.338 59 R HA 0.749 5.089 4.340 0.000 0.000 0.317 59 R C -0.236 176.082 176.300 0.030 0.000 0.968 59 R CA 0.360 56.475 56.100 0.025 0.000 0.849 59 R CB 1.494 31.808 30.300 0.024 0.000 1.128 59 R HN 1.183 nan 8.270 nan 0.000 0.448 60 T N 2.184 116.756 114.554 0.030 0.000 2.916 60 T HA 0.536 4.886 4.350 0.000 0.000 0.292 60 T C 0.199 174.915 174.700 0.027 0.000 1.064 60 T CA -1.050 61.070 62.100 0.034 0.000 1.011 60 T CB 1.100 69.996 68.868 0.046 0.000 1.152 60 T HN 0.587 nan 8.240 nan 0.000 0.510 61 I N 0.030 120.618 120.570 0.029 0.000 2.412 61 I HA 0.800 4.970 4.170 0.000 0.000 0.296 61 I C 0.198 176.332 176.117 0.030 0.000 0.987 61 I CA -1.456 59.858 61.300 0.025 0.000 1.180 61 I CB 1.291 39.304 38.000 0.023 0.000 1.340 61 I HN 0.868 nan 8.210 nan 0.000 0.455 62 A N 6.844 129.679 122.820 0.024 0.000 2.363 62 A HA 0.472 4.792 4.320 0.000 0.000 0.270 62 A C 0.814 178.413 177.584 0.026 0.000 1.121 62 A CA -0.599 51.453 52.037 0.025 0.000 0.800 62 A CB 0.681 19.692 19.000 0.019 0.000 1.052 62 A HN 0.868 nan 8.150 nan 0.000 0.493 63 M N 0.844 120.462 119.600 0.030 0.000 2.561 63 M HA 0.145 4.625 4.480 0.000 0.000 0.238 63 M C 0.008 176.323 176.300 0.025 0.000 1.131 63 M CA 0.728 56.047 55.300 0.031 0.000 1.046 63 M CB -1.296 31.325 32.600 0.035 0.000 1.532 63 M HN 0.860 nan 8.290 nan 0.000 0.497 64 D N -1.313 119.100 120.400 0.022 0.000 2.838 64 D HA 0.479 5.119 4.640 0.000 0.000 0.334 64 D C -0.384 175.925 176.300 0.014 0.000 1.315 64 D CA -0.231 53.780 54.000 0.018 0.000 0.917 64 D CB 0.653 41.464 40.800 0.019 0.000 1.435 64 D HN 0.089 nan 8.370 nan 0.000 0.517 65 G N -1.103 107.705 108.800 0.012 0.000 2.464 65 G HA2 0.336 4.296 3.960 0.000 0.000 0.231 65 G HA3 0.336 4.296 3.960 0.000 0.000 0.231 65 G C 0.764 175.669 174.900 0.008 0.000 1.267 65 G CA 0.751 45.856 45.100 0.009 0.000 0.863 65 G HN 0.492 nan 8.290 nan 0.000 0.559 66 T N -1.886 112.671 114.554 0.006 0.000 3.040 66 T HA 0.190 4.540 4.350 0.000 0.000 0.266 66 T C 0.374 175.075 174.700 0.002 0.000 1.005 66 T CA -0.001 62.102 62.100 0.005 0.000 0.906 66 T CB 0.152 69.022 68.868 0.004 0.000 1.082 66 T HN 0.577 nan 8.240 nan 0.000 0.531 67 E N 1.857 122.058 120.200 0.002 0.000 2.465 67 E HA 0.442 4.792 4.350 0.000 0.000 0.260 67 E C 1.322 177.922 176.600 0.000 0.000 0.980 67 E CA 0.372 56.772 56.400 0.001 0.000 0.927 67 E CB -0.443 29.259 29.700 0.002 0.000 0.934 67 E HN 0.403 nan 8.360 nan 0.000 0.459 68 G N 2.084 110.883 108.800 -0.001 0.000 2.232 68 G HA2 -0.258 3.702 3.960 0.000 0.000 0.226 68 G HA3 -0.258 3.702 3.960 0.000 0.000 0.226 68 G C 0.124 175.021 174.900 -0.005 0.000 0.996 68 G CA -0.140 44.958 45.100 -0.002 0.000 0.626 68 G HN 0.468 nan 8.290 nan 0.000 0.509 69 L N 0.912 122.132 121.223 -0.005 0.000 2.483 69 L HA 0.476 4.816 4.340 0.000 0.000 0.276 69 L C 0.611 177.474 176.870 -0.011 0.000 1.213 69 L CA -0.094 54.741 54.840 -0.008 0.000 0.843 69 L CB 0.936 42.990 42.059 -0.008 0.000 1.107 69 L HN 0.017 nan 8.230 nan 0.000 0.487 70 V N 2.390 122.295 119.914 -0.016 0.000 2.735 70 V HA 0.357 4.477 4.120 0.000 0.000 0.310 70 V C 0.019 176.099 176.094 -0.024 0.000 1.061 70 V CA -0.898 61.391 62.300 -0.018 0.000 0.913 70 V CB 2.033 33.846 31.823 -0.017 0.000 1.005 70 V HN 0.639 nan 8.190 nan 0.000 0.428 71 R N 2.216 122.702 120.500 -0.023 0.000 2.458 71 R HA 0.421 4.761 4.340 0.000 0.000 0.303 71 R C 1.234 177.512 176.300 -0.035 0.000 1.013 71 R CA 1.167 57.250 56.100 -0.029 0.000 1.026 71 R CB 0.159 30.444 30.300 -0.025 0.000 0.948 71 R HN 1.189 nan 8.270 nan 0.000 0.417 72 G N 1.944 110.716 108.800 -0.048 0.000 2.253 72 G HA2 -0.281 3.680 3.960 0.000 0.000 0.209 72 G HA3 -0.281 3.680 3.960 0.000 0.000 0.209 72 G C 0.217 175.083 174.900 -0.057 0.000 0.997 72 G CA -0.314 44.754 45.100 -0.054 0.000 0.640 72 G HN 0.580 nan 8.290 nan 0.000 0.496 73 Q N 1.207 120.977 119.800 -0.050 0.000 2.369 73 Q HA 0.356 4.697 4.340 0.000 0.000 0.295 73 Q C 0.299 176.259 176.000 -0.065 0.000 1.075 73 Q CA 0.567 56.342 55.803 -0.046 0.000 0.941 73 Q CB 0.278 28.995 28.738 -0.034 0.000 1.260 73 Q HN 0.495 nan 8.270 nan 0.000 0.417 74 K N 1.285 121.651 120.400 -0.057 0.000 2.218 74 K HA 0.403 4.723 4.320 0.000 0.000 0.276 74 K C -1.143 175.421 176.600 -0.060 0.000 1.022 74 K CA -0.489 55.756 56.287 -0.071 0.000 0.946 74 K CB 1.296 33.768 32.500 -0.047 0.000 1.000 74 K HN 0.239 nan 8.250 nan 0.000 0.468 75 V N 3.929 123.792 119.914 -0.086 0.000 2.623 75 V HA 0.284 4.404 4.120 0.000 0.000 0.304 75 V C -0.715 175.413 176.094 0.056 0.000 1.054 75 V CA -0.894 61.392 62.300 -0.023 0.000 0.882 75 V CB 1.529 33.328 31.823 -0.039 0.000 1.002 75 V HN 0.601 nan 8.190 nan 0.000 0.424 76 L N 3.490 124.777 121.223 0.107 0.000 2.275 76 L HA 0.484 4.824 4.340 0.000 0.000 0.288 76 L C -0.146 176.835 176.870 0.184 0.000 1.046 76 L CA -0.439 54.490 54.840 0.148 0.000 0.805 76 L CB 1.500 43.605 42.059 0.077 0.000 1.193 76 L HN 0.631 nan 8.230 nan 0.000 0.426 77 D N 1.540 122.071 120.400 0.218 0.000 2.348 77 D HA -0.001 4.639 4.640 0.000 0.000 0.253 77 D C 1.093 177.398 176.300 0.008 0.000 1.161 77 D CA -0.044 53.979 54.000 0.038 0.000 0.876 77 D CB 1.535 42.214 40.800 -0.202 0.000 1.160 77 D HN 0.540 nan 8.370 nan 0.000 0.459 78 S N 2.812 118.512 115.700 -0.001 0.000 2.489 78 S HA 0.120 4.590 4.470 0.000 0.000 0.228 78 S C 1.726 176.313 174.600 -0.022 0.000 0.995 78 S CA 0.868 59.065 58.200 -0.005 0.000 0.934 78 S CB -0.208 62.994 63.200 0.004 0.000 0.771 78 S HN 0.931 nan 8.310 nan 0.000 0.522 79 G N 0.526 109.303 108.800 -0.038 0.000 2.284 79 G HA2 -0.037 3.923 3.960 0.000 0.000 0.247 79 G HA3 -0.037 3.923 3.960 0.000 0.000 0.247 79 G C 0.227 175.113 174.900 -0.024 0.000 1.012 79 G CA -0.019 45.058 45.100 -0.039 0.000 0.618 79 G HN 1.535 nan 8.290 nan 0.000 0.521 80 A N 0.053 122.868 122.820 -0.009 0.000 2.564 80 A HA 0.964 5.284 4.320 0.000 0.000 0.288 80 A C -2.662 174.943 177.584 0.035 0.000 1.164 80 A CA -0.683 51.362 52.037 0.013 0.000 0.712 80 A CB 1.430 20.442 19.000 0.019 0.000 1.303 80 A HN 0.174 nan 8.150 nan 0.000 0.418 81 P HA 0.291 nan 4.420 nan 0.000 0.275 81 P C -0.333 177.026 177.300 0.099 0.000 1.270 81 P CA -0.189 62.986 63.100 0.124 0.000 0.791 81 P CB 0.199 32.040 31.700 0.235 0.000 1.089 82 I N 0.340 120.974 120.570 0.106 0.000 2.683 82 I HA -0.029 4.141 4.170 0.000 0.000 0.286 82 I C 1.337 177.483 176.117 0.048 0.000 1.175 82 I CA 0.932 62.267 61.300 0.059 0.000 1.429 82 I CB -0.170 37.849 38.000 0.031 0.000 1.371 82 I HN 0.110 nan 8.210 nan 0.000 0.569 83 R N 6.876 127.427 120.500 0.086 0.000 2.480 83 R HA 0.629 4.969 4.340 0.000 0.000 0.306 83 R C -0.808 175.609 176.300 0.195 0.000 0.958 83 R CA -0.779 55.405 56.100 0.140 0.000 0.861 83 R CB 1.804 32.219 30.300 0.191 0.000 1.171 83 R HN 0.575 nan 8.270 nan 0.000 0.445 84 I N -0.561 120.045 120.570 0.059 0.000 2.863 84 I HA 0.657 4.828 4.170 0.000 0.000 0.311 84 I C -2.513 173.318 176.117 -0.477 0.000 1.026 84 I CA -3.300 57.935 61.300 -0.108 0.000 1.077 84 I CB 1.864 39.787 38.000 -0.129 0.000 1.262 84 I HN 0.314 nan 8.210 nan 0.000 0.461 85 P HA 0.174 nan 4.420 nan 0.000 0.271 85 P C -0.635 176.293 177.300 -0.621 0.000 1.233 85 P CA -0.126 62.333 63.100 -1.067 0.000 0.764 85 P CB 0.780 32.028 31.700 -0.753 0.000 0.825 86 V N 1.031 120.581 119.914 -0.607 0.000 3.019 86 V HA 1.027 5.147 4.120 0.000 0.000 0.317 86 V C 0.253 175.812 176.094 -0.892 0.000 1.094 86 V CA -0.493 61.411 62.300 -0.660 0.000 1.000 86 V CB 1.266 32.745 31.823 -0.574 0.000 1.060 86 V HN 0.894 nan 8.190 nan 0.000 0.443 87 G N 2.014 110.081 108.800 -1.222 0.000 2.459 87 G HA2 0.077 4.037 3.960 0.000 0.000 0.685 87 G HA3 0.077 4.037 3.960 0.000 0.000 0.685 87 G C -2.400 172.355 174.900 -0.242 0.000 1.303 87 G CA -0.166 44.379 45.100 -0.925 0.000 0.907 87 G HN 0.626 nan 8.290 nan 0.000 0.632 88 P HA -0.109 nan 4.420 nan 0.000 0.218 88 P C 1.534 178.810 177.300 -0.041 0.000 1.146 88 P CA 1.853 65.016 63.100 0.105 0.000 0.820 88 P CB 0.128 31.897 31.700 0.115 0.000 0.778 89 E N -0.858 119.298 120.200 -0.074 0.000 2.494 89 E HA -0.035 4.315 4.350 0.000 0.000 0.193 89 E C 0.819 177.353 176.600 -0.111 0.000 1.074 89 E CA 0.985 57.333 56.400 -0.087 0.000 0.867 89 E CB -1.200 28.453 29.700 -0.079 0.000 0.924 89 E HN 0.329 nan 8.360 nan 0.000 0.502 90 T N -1.483 113.001 114.554 -0.118 0.000 3.060 90 T HA 0.220 4.570 4.350 0.000 0.000 0.249 90 T C 0.952 175.602 174.700 -0.082 0.000 1.079 90 T CA -0.353 61.675 62.100 -0.121 0.000 1.013 90 T CB -0.216 68.558 68.868 -0.157 0.000 0.975 90 T HN 0.013 nan 8.240 nan 0.000 0.518 91 L N 2.002 123.171 121.223 -0.089 0.000 2.360 91 L HA 0.541 4.881 4.340 0.000 0.000 0.276 91 L C 1.563 178.376 176.870 -0.096 0.000 1.121 91 L CA 0.547 55.314 54.840 -0.121 0.000 0.845 91 L CB 0.324 42.214 42.059 -0.281 0.000 1.143 91 L HN 0.456 nan 8.230 nan 0.000 0.452 92 G N 1.709 110.468 108.800 -0.068 0.000 2.162 92 G HA2 -0.218 3.742 3.960 0.000 0.000 0.260 92 G HA3 -0.218 3.742 3.960 0.000 0.000 0.260 92 G C 0.339 175.216 174.900 -0.038 0.000 0.976 92 G CA -0.341 44.740 45.100 -0.032 0.000 0.655 92 G HN 0.452 nan 8.290 nan 0.000 0.533 93 R N -0.244 120.202 120.500 -0.091 0.000 2.598 93 R HA 0.695 5.035 4.340 0.000 0.000 0.279 93 R C 0.330 176.493 176.300 -0.227 0.000 0.984 93 R CA -0.983 55.036 56.100 -0.134 0.000 0.999 93 R CB 0.925 31.153 30.300 -0.120 0.000 1.114 93 R HN 0.283 nan 8.270 nan 0.000 0.493 94 I N 2.760 123.146 120.570 -0.307 0.000 2.328 94 I HA 0.342 4.512 4.170 0.000 0.000 0.287 94 I C 0.409 176.362 176.117 -0.272 0.000 1.012 94 I CA -0.325 60.721 61.300 -0.424 0.000 1.195 94 I CB 1.275 38.897 38.000 -0.630 0.000 1.350 94 I HN 0.275 nan 8.210 nan 0.000 0.464 95 M N 5.741 125.206 119.600 -0.225 0.000 2.478 95 M HA 0.398 4.878 4.480 0.000 0.000 0.327 95 M C -0.427 175.827 176.300 -0.076 0.000 1.187 95 M CA -0.371 54.848 55.300 -0.135 0.000 1.022 95 M CB 1.838 34.363 32.600 -0.125 0.000 1.629 95 M HN 0.552 nan 8.290 nan 0.000 0.461 96 N N 1.370 120.046 118.700 -0.039 0.000 2.413 96 N HA 0.242 4.982 4.740 0.000 0.000 0.266 96 N C 0.541 176.054 175.510 0.004 0.000 1.238 96 N CA -0.515 52.538 53.050 0.005 0.000 0.972 96 N CB 0.915 39.404 38.487 0.002 0.000 1.210 96 N HN 0.520 nan 8.380 nan 0.000 0.547 97 V N 0.759 120.685 119.914 0.020 0.000 2.282 97 V HA -0.212 3.908 4.120 0.000 0.000 0.249 97 V C 1.659 177.752 176.094 -0.001 0.000 1.057 97 V CA 2.183 64.491 62.300 0.013 0.000 1.032 97 V CB -1.113 30.725 31.823 0.025 0.000 0.645 97 V HN 0.785 nan 8.190 nan 0.000 0.447 98 I N -1.432 119.143 120.570 0.007 0.000 3.864 98 I HA 0.614 4.784 4.170 0.000 0.000 0.326 98 I C 1.310 177.435 176.117 0.013 0.000 1.444 98 I CA 0.563 61.872 61.300 0.015 0.000 1.195 98 I CB -0.450 37.567 38.000 0.029 0.000 1.124 98 I HN 0.339 nan 8.210 nan 0.000 0.407 99 G N 1.092 109.880 108.800 -0.019 0.000 2.205 99 G HA2 -0.283 3.677 3.960 0.000 0.000 0.261 99 G HA3 -0.283 3.677 3.960 0.000 0.000 0.261 99 G C 0.044 174.917 174.900 -0.044 0.000 0.980 99 G CA 0.218 45.289 45.100 -0.049 0.000 0.632 99 G HN 0.662 nan 8.290 nan 0.000 0.533 100 E N 2.155 122.345 120.200 -0.016 0.000 2.383 100 E HA 0.370 4.720 4.350 0.000 0.000 0.264 100 E C -2.288 174.287 176.600 -0.042 0.000 1.050 100 E CA -1.364 55.026 56.400 -0.016 0.000 0.896 100 E CB 0.854 30.555 29.700 0.001 0.000 0.982 100 E HN 0.244 nan 8.360 nan 0.000 0.424 101 P HA 0.065 nan 4.420 nan 0.000 0.282 101 P C 0.045 177.308 177.300 -0.061 0.000 1.274 101 P CA 0.155 63.213 63.100 -0.070 0.000 0.770 101 P CB 0.206 31.869 31.700 -0.061 0.000 0.867 102 I N 0.292 120.810 120.570 -0.087 0.000 3.927 102 I HA 0.223 4.393 4.170 0.000 0.000 0.332 102 I C 0.200 176.260 176.117 -0.094 0.000 1.485 102 I CA -0.192 61.070 61.300 -0.063 0.000 1.131 102 I CB -0.105 37.876 38.000 -0.033 0.000 1.092 102 I HN 0.037 nan 8.210 nan 0.000 0.410 103 D N 0.600 120.923 120.400 -0.129 0.000 2.369 103 D HA -0.013 4.627 4.640 0.000 0.000 0.211 103 D C 0.704 176.987 176.300 -0.028 0.000 1.077 103 D CA -0.002 53.913 54.000 -0.142 0.000 0.842 103 D CB -0.092 40.556 40.800 -0.253 0.000 0.947 103 D HN 0.507 nan 8.370 nan 0.000 0.509 104 E N -0.523 119.665 120.200 -0.021 0.000 3.673 104 E HA -0.259 4.091 4.350 0.000 0.000 0.309 104 E C 0.265 176.872 176.600 0.012 0.000 0.819 104 E CA 0.502 56.906 56.400 0.006 0.000 1.111 104 E CB -1.181 28.536 29.700 0.028 0.000 1.561 104 E HN 0.392 nan 8.360 nan 0.000 0.450 105 R N 0.853 121.355 120.500 0.004 0.000 2.823 105 R HA 0.227 4.567 4.340 0.000 0.000 0.250 105 R C 0.970 177.268 176.300 -0.003 0.000 1.332 105 R CA 0.468 56.574 56.100 0.009 0.000 1.259 105 R CB 0.177 30.485 30.300 0.013 0.000 1.225 105 R HN 0.324 nan 8.270 nan 0.000 0.545 106 G N 1.780 110.578 108.800 -0.003 0.000 2.804 106 G HA2 -0.252 3.708 3.960 0.000 0.000 0.230 106 G HA3 -0.252 3.708 3.960 0.000 0.000 0.230 106 G C -2.344 172.548 174.900 -0.012 0.000 1.386 106 G CA -1.215 43.883 45.100 -0.004 0.000 0.875 106 G HN 0.132 nan 8.290 nan 0.000 0.557 107 P HA 0.324 nan 4.420 nan 0.000 0.269 107 P C 0.209 177.495 177.300 -0.023 0.000 1.211 107 P CA 0.038 63.133 63.100 -0.007 0.000 0.781 107 P CB 0.251 31.955 31.700 0.007 0.000 0.877 108 I N 1.353 121.902 120.570 -0.035 0.000 2.361 108 I HA 0.183 4.353 4.170 0.000 0.000 0.282 108 I C 0.429 176.514 176.117 -0.053 0.000 1.075 108 I CA -0.570 60.690 61.300 -0.067 0.000 1.205 108 I CB 0.026 37.956 38.000 -0.118 0.000 1.406 108 I HN 0.057 nan 8.210 nan 0.000 0.481 109 K N 5.348 125.730 120.400 -0.029 0.000 2.294 109 K HA 0.194 4.514 4.320 0.000 0.000 0.288 109 K C 0.314 176.902 176.600 -0.020 0.000 1.072 109 K CA -0.081 56.205 56.287 -0.002 0.000 0.960 109 K CB 0.129 32.632 32.500 0.005 0.000 1.043 109 K HN 0.591 nan 8.250 nan 0.000 0.455 110 T N -0.749 113.799 114.554 -0.011 0.000 2.940 110 T HA 0.374 4.724 4.350 0.000 0.000 0.288 110 T C 0.488 175.239 174.700 0.085 0.000 1.045 110 T CA -1.125 60.954 62.100 -0.034 0.000 1.018 110 T CB 1.746 70.498 68.868 -0.194 0.000 1.151 110 T HN 0.429 nan 8.240 nan 0.000 0.529 111 K N -0.261 120.184 120.400 0.075 0.000 2.402 111 K HA 0.235 4.555 4.320 0.000 0.000 0.203 111 K C -0.314 176.386 176.600 0.167 0.000 1.077 111 K CA -0.197 56.161 56.287 0.119 0.000 1.051 111 K CB 0.501 33.049 32.500 0.080 0.000 0.907 111 K HN 0.421 nan 8.250 nan 0.000 0.554 112 Q N 0.250 120.142 119.800 0.153 0.000 2.337 112 Q HA 0.483 4.823 4.340 0.000 0.000 0.270 112 Q C -1.118 174.979 176.000 0.162 0.000 1.043 112 Q CA -0.421 55.488 55.803 0.177 0.000 0.794 112 Q CB 1.448 30.273 28.738 0.146 0.000 1.281 112 Q HN -0.097 nan 8.270 nan 0.000 0.446 113 F N 0.450 120.389 119.950 -0.017 0.000 2.613 113 F HA 0.937 5.464 4.527 0.000 0.000 0.342 113 F C -0.372 175.421 175.800 -0.011 0.000 1.066 113 F CA -1.091 56.889 58.000 -0.033 0.000 1.002 113 F CB 1.875 40.859 39.000 -0.026 0.000 1.319 113 F HN 0.589 nan 8.300 nan 0.000 0.495 114 A N 0.334 123.245 122.820 0.153 0.000 2.555 114 A HA 0.713 5.033 4.320 0.000 0.000 0.297 114 A C -1.473 176.145 177.584 0.058 0.000 1.060 114 A CA -0.489 51.598 52.037 0.084 0.000 0.710 114 A CB 0.538 19.564 19.000 0.042 0.000 1.282 114 A HN 1.158 nan 8.150 nan 0.000 0.399 115 A N 1.717 124.569 122.820 0.053 0.000 2.477 115 A HA 0.471 4.791 4.320 0.000 0.000 0.246 115 A C 1.175 178.746 177.584 -0.021 0.000 1.078 115 A CA 0.259 52.318 52.037 0.036 0.000 0.770 115 A CB -0.400 18.636 19.000 0.060 0.000 1.011 115 A HN 1.780 nan 8.150 nan 0.000 0.494 116 I N -0.464 120.046 120.570 -0.100 0.000 3.111 116 I HA 0.051 4.221 4.170 0.000 0.000 0.272 116 I C -0.089 175.849 176.117 -0.299 0.000 1.268 116 I CA 0.349 61.519 61.300 -0.217 0.000 1.467 116 I CB -0.380 37.449 38.000 -0.285 0.000 1.087 116 I HN 0.486 nan 8.210 nan 0.000 0.467 117 H N 2.934 122.013 119.070 0.015 0.000 2.556 117 H HA 0.756 5.312 4.556 0.000 0.000 0.310 117 H C -0.476 174.858 175.328 0.010 0.000 1.057 117 H CA -0.319 55.737 56.048 0.014 0.000 1.264 117 H CB 1.460 31.233 29.762 0.017 0.000 1.404 117 H HN 0.386 nan 8.280 nan 0.000 0.462 118 A N 3.659 126.542 122.820 0.104 0.000 2.515 118 A HA 0.405 4.725 4.320 0.000 0.000 0.298 118 A C -0.179 177.435 177.584 0.050 0.000 1.059 118 A CA -0.961 51.112 52.037 0.059 0.000 0.698 118 A CB 1.786 20.802 19.000 0.026 0.000 1.289 118 A HN 0.536 nan 8.150 nan 0.000 0.404 119 E N 0.613 120.836 120.200 0.038 0.000 2.392 119 E HA 0.466 4.816 4.350 0.000 0.000 0.256 119 E C 0.419 177.033 176.600 0.023 0.000 1.145 119 E CA 0.041 56.460 56.400 0.031 0.000 0.929 119 E CB 0.956 30.672 29.700 0.027 0.000 0.998 119 E HN 0.787 nan 8.360 nan 0.000 0.442 120 A N 2.163 124.997 122.820 0.024 0.000 2.340 120 A HA 0.422 4.742 4.320 0.000 0.000 0.268 120 A C -2.118 175.478 177.584 0.020 0.000 1.100 120 A CA -1.393 50.655 52.037 0.018 0.000 0.803 120 A CB -0.419 18.596 19.000 0.024 0.000 1.043 120 A HN 0.311 nan 8.150 nan 0.000 0.488 121 P HA -0.044 nan 4.420 nan 0.000 0.261 121 P C -0.048 177.268 177.300 0.027 0.000 1.158 121 P CA 0.595 63.699 63.100 0.007 0.000 0.758 121 P CB 0.299 31.992 31.700 -0.012 0.000 0.763 122 E N 1.844 122.067 120.200 0.038 0.000 2.409 122 E HA -0.026 4.324 4.350 0.000 0.000 0.257 122 E C 0.921 177.587 176.600 0.109 0.000 1.150 122 E CA -0.185 56.262 56.400 0.078 0.000 0.942 122 E CB 0.180 29.922 29.700 0.071 0.000 0.979 122 E HN 0.398 nan 8.360 nan 0.000 0.447 123 F N 1.741 121.689 119.950 -0.002 0.000 2.126 123 F HA -0.235 4.292 4.527 0.000 0.000 0.299 123 F C 1.976 177.773 175.800 -0.005 0.000 1.096 123 F CA 1.782 59.780 58.000 -0.003 0.000 1.255 123 F CB -0.113 38.885 39.000 -0.003 0.000 0.997 123 F HN 0.287 nan 8.300 nan 0.000 0.479 124 V N -2.061 117.984 119.914 0.219 0.000 2.913 124 V HA -0.167 3.953 4.120 0.000 0.000 0.260 124 V C 1.395 177.492 176.094 0.005 0.000 1.098 124 V CA 1.918 64.285 62.300 0.111 0.000 1.121 124 V CB -1.014 30.875 31.823 0.110 0.000 0.714 124 V HN 0.459 nan 8.190 nan 0.000 0.487 125 E N 0.072 120.265 120.200 -0.011 0.000 2.479 125 E HA 0.204 4.554 4.350 0.000 0.000 0.193 125 E C 0.469 177.025 176.600 -0.073 0.000 1.049 125 E CA -0.221 56.159 56.400 -0.033 0.000 0.870 125 E CB 0.026 29.717 29.700 -0.015 0.000 0.944 125 E HN 0.476 nan 8.360 nan 0.000 0.492 126 M N 1.428 120.947 119.600 -0.135 0.000 2.217 126 M HA 0.104 4.585 4.480 0.000 0.000 0.354 126 M C 0.518 176.724 176.300 -0.156 0.000 1.225 126 M CA 0.024 55.221 55.300 -0.171 0.000 1.137 126 M CB 0.910 33.327 32.600 -0.305 0.000 1.576 126 M HN -0.116 nan 8.290 nan 0.000 0.461 127 S N 2.016 117.646 115.700 -0.116 0.000 2.617 127 S HA 0.449 4.919 4.470 0.000 0.000 0.269 127 S C 0.688 175.223 174.600 -0.110 0.000 1.292 127 S CA -0.678 57.464 58.200 -0.096 0.000 1.010 127 S CB 0.776 63.934 63.200 -0.069 0.000 0.944 127 S HN 0.596 nan 8.310 nan 0.000 0.536 128 V N -0.315 119.545 119.914 -0.090 0.000 3.432 128 V HA 0.520 4.640 4.120 0.000 0.000 0.298 128 V C 0.367 176.426 176.094 -0.058 0.000 1.464 128 V CA -0.395 61.854 62.300 -0.085 0.000 1.046 128 V CB -0.302 31.472 31.823 -0.083 0.000 0.887 128 V HN 0.662 nan 8.190 nan 0.000 0.441 129 E N 1.674 121.843 120.200 -0.050 0.000 2.283 129 E HA 0.444 4.794 4.350 0.000 0.000 0.271 129 E C -0.622 175.956 176.600 -0.037 0.000 1.031 129 E CA -0.240 56.137 56.400 -0.038 0.000 0.868 129 E CB 1.408 31.089 29.700 -0.031 0.000 1.094 129 E HN 0.356 nan 8.360 nan 0.000 0.401 130 Q N 2.217 121.999 119.800 -0.030 0.000 2.506 130 Q HA 0.247 4.587 4.340 0.000 0.000 0.242 130 Q C -0.829 175.160 176.000 -0.019 0.000 1.060 130 Q CA -0.152 55.635 55.803 -0.027 0.000 0.826 130 Q CB 0.966 29.688 28.738 -0.027 0.000 1.169 130 Q HN 0.375 nan 8.270 nan 0.000 0.521 131 E N 2.107 122.296 120.200 -0.019 0.000 2.166 131 E HA 0.367 4.717 4.350 0.000 0.000 0.275 131 E C -0.336 176.260 176.600 -0.006 0.000 0.941 131 E CA -0.567 55.826 56.400 -0.012 0.000 0.784 131 E CB 2.331 32.019 29.700 -0.020 0.000 1.115 131 E HN 0.485 nan 8.360 nan 0.000 0.399 132 I N 4.240 124.818 120.570 0.012 0.000 2.396 132 I HA 0.100 4.270 4.170 0.000 0.000 0.289 132 I C -0.730 175.396 176.117 0.015 0.000 1.056 132 I CA -0.622 60.696 61.300 0.030 0.000 1.365 132 I CB 0.373 38.410 38.000 0.061 0.000 1.407 132 I HN 0.454 nan 8.210 nan 0.000 0.509 133 L N 9.334 130.561 121.223 0.007 0.000 2.363 133 L HA 0.267 4.607 4.340 0.000 0.000 0.286 133 L C -0.466 176.407 176.870 0.006 0.000 1.106 133 L CA -0.009 54.798 54.840 -0.055 0.000 0.859 133 L CB 0.674 42.702 42.059 -0.052 0.000 1.223 133 L HN 0.449 nan 8.230 nan 0.000 0.446 134 V N 4.970 124.922 119.914 0.062 0.000 2.599 134 V HA 0.057 4.177 4.120 0.000 0.000 0.300 134 V C 1.476 177.649 176.094 0.131 0.000 1.034 134 V CA 0.850 63.212 62.300 0.104 0.000 1.115 134 V CB 0.776 32.682 31.823 0.138 0.000 0.934 134 V HN 0.984 nan 8.190 nan 0.000 0.485 135 T N -0.097 114.453 114.554 -0.006 0.000 3.023 135 T HA 0.302 4.652 4.350 0.000 0.000 0.249 135 T C 1.379 176.048 174.700 -0.052 0.000 1.050 135 T CA 0.675 62.749 62.100 -0.044 0.000 1.088 135 T CB 0.512 69.254 68.868 -0.208 0.000 0.946 135 T HN 1.530 nan 8.240 nan 0.000 0.480 136 G N 1.698 110.468 108.800 -0.051 0.000 2.141 136 G HA2 -0.156 3.804 3.960 0.000 0.000 0.231 136 G HA3 -0.156 3.804 3.960 0.000 0.000 0.231 136 G C -0.003 174.869 174.900 -0.046 0.000 0.984 136 G CA -0.060 45.012 45.100 -0.047 0.000 0.660 136 G HN 0.635 nan 8.290 nan 0.000 0.525 137 I N 1.413 121.945 120.570 -0.063 0.000 2.347 137 I HA 0.196 4.366 4.170 0.000 0.000 0.283 137 I C 1.680 177.790 176.117 -0.011 0.000 1.058 137 I CA -0.811 60.486 61.300 -0.006 0.000 1.202 137 I CB 0.924 38.907 38.000 -0.027 0.000 1.386 137 I HN 0.032 nan 8.210 nan 0.000 0.475 138 K N 3.238 123.638 120.400 -0.001 0.000 2.031 138 K HA -0.282 4.038 4.320 0.000 0.000 0.228 138 K C 1.915 178.446 176.600 -0.116 0.000 1.050 138 K CA 2.468 58.723 56.287 -0.053 0.000 0.980 138 K CB -0.650 31.829 32.500 -0.035 0.000 0.738 138 K HN 0.628 nan 8.250 nan 0.000 0.451 139 V N 0.023 119.895 119.914 -0.071 0.000 2.250 139 V HA -0.296 3.824 4.120 0.000 0.000 0.253 139 V C 2.344 178.394 176.094 -0.073 0.000 1.065 139 V CA 2.250 64.500 62.300 -0.083 0.000 1.039 139 V CB -1.243 30.585 31.823 0.008 0.000 0.647 139 V HN 0.144 nan 8.190 nan 0.000 0.446 140 V N 1.051 120.936 119.914 -0.049 0.000 2.216 140 V HA -0.253 3.867 4.120 0.000 0.000 0.242 140 V C 2.583 178.638 176.094 -0.065 0.000 1.042 140 V CA 2.540 64.796 62.300 -0.073 0.000 0.991 140 V CB -0.997 30.688 31.823 -0.231 0.000 0.633 140 V HN 0.555 nan 8.190 nan 0.000 0.449 141 D N -0.058 120.288 120.400 -0.089 0.000 2.172 141 D HA -0.204 4.436 4.640 0.000 0.000 0.196 141 D C 1.931 178.264 176.300 0.056 0.000 0.999 141 D CA 1.762 55.751 54.000 -0.019 0.000 0.856 141 D CB -0.202 40.575 40.800 -0.039 0.000 0.934 141 D HN 0.409 nan 8.370 nan 0.000 0.453 142 L N -0.230 120.960 121.223 -0.055 0.000 2.102 142 L HA 0.008 4.348 4.340 0.000 0.000 0.202 142 L C 1.986 178.890 176.870 0.057 0.000 1.076 142 L CA 1.326 56.132 54.840 -0.057 0.000 0.761 142 L CB -0.204 41.623 42.059 -0.388 0.000 0.921 142 L HN -0.047 nan 8.230 nan 0.000 0.444 143 L N -0.756 120.450 121.223 -0.027 0.000 2.425 143 L HA 0.371 4.711 4.340 0.000 0.000 0.215 143 L C 0.910 177.799 176.870 0.032 0.000 1.065 143 L CA 0.517 55.350 54.840 -0.011 0.000 0.842 143 L CB -0.131 41.898 42.059 -0.049 0.000 1.033 143 L HN 0.264 nan 8.230 nan 0.000 0.474 144 A N 0.494 123.350 122.820 0.059 0.000 3.410 144 A HA 0.468 4.788 4.320 0.000 0.000 0.276 144 A C -2.599 175.083 177.584 0.163 0.000 0.995 144 A CA -0.984 51.121 52.037 0.113 0.000 0.934 144 A CB -0.256 18.834 19.000 0.151 0.000 1.191 144 A HN -0.140 nan 8.150 nan 0.000 0.511 145 P HA 0.049 nan 4.420 nan 0.000 0.263 145 P C -0.616 176.833 177.300 0.247 0.000 1.195 145 P CA 0.539 63.708 63.100 0.115 0.000 0.762 145 P CB 0.084 31.834 31.700 0.082 0.000 0.799 146 Y N 1.597 121.908 120.300 0.019 0.000 2.511 146 Y HA 0.285 4.835 4.550 0.000 0.000 0.332 146 Y C 1.206 177.096 175.900 -0.018 0.000 1.177 146 Y CA -1.130 56.969 58.100 -0.002 0.000 1.422 146 Y CB -0.288 38.165 38.460 -0.013 0.000 1.271 146 Y HN 0.361 nan 8.280 nan 0.000 0.550 147 A N 4.409 127.293 122.820 0.107 0.000 2.276 147 A HA 0.390 4.710 4.320 0.000 0.000 0.316 147 A C 0.110 177.695 177.584 0.001 0.000 1.229 147 A CA -1.077 50.982 52.037 0.037 0.000 0.851 147 A CB 0.179 19.185 19.000 0.010 0.000 1.165 147 A HN 0.745 nan 8.150 nan 0.000 0.513 148 K N 1.920 122.311 120.400 -0.015 0.000 2.466 148 K HA 0.267 4.587 4.320 0.000 0.000 0.278 148 K C 1.254 177.822 176.600 -0.053 0.000 1.048 148 K CA 1.641 57.899 56.287 -0.048 0.000 1.088 148 K CB -0.169 32.292 32.500 -0.064 0.000 0.884 148 K HN 1.689 nan 8.250 nan 0.000 0.478 149 G N 2.408 111.169 108.800 -0.064 0.000 2.179 149 G HA2 -0.231 3.729 3.960 0.000 0.000 0.260 149 G HA3 -0.231 3.729 3.960 0.000 0.000 0.260 149 G C 0.326 175.187 174.900 -0.066 0.000 0.977 149 G CA -0.081 44.981 45.100 -0.064 0.000 0.641 149 G HN 0.950 nan 8.290 nan 0.000 0.533 150 G N -0.507 108.251 108.800 -0.070 0.000 2.451 150 G HA2 0.615 4.575 3.960 0.000 0.000 0.303 150 G HA3 0.615 4.575 3.960 0.000 0.000 0.303 150 G C -0.329 174.500 174.900 -0.119 0.000 1.166 150 G CA -0.621 44.434 45.100 -0.074 0.000 0.884 150 G HN 0.321 nan 8.290 nan 0.000 0.514 151 K N 0.060 120.396 120.400 -0.108 0.000 2.211 151 K HA 0.494 4.814 4.320 0.000 0.000 0.275 151 K C -0.684 175.802 176.600 -0.190 0.000 1.024 151 K CA -0.202 55.995 56.287 -0.149 0.000 0.887 151 K CB 1.752 34.190 32.500 -0.104 0.000 1.084 151 K HN 0.235 nan 8.250 nan 0.000 0.463 152 I N 1.598 121.993 120.570 -0.291 0.000 2.404 152 I HA 0.330 4.500 4.170 0.000 0.000 0.293 152 I C 0.560 176.524 176.117 -0.255 0.000 0.992 152 I CA -0.390 60.707 61.300 -0.338 0.000 1.149 152 I CB 2.045 39.609 38.000 -0.726 0.000 1.315 152 I HN 0.615 nan 8.210 nan 0.000 0.446 153 G N 5.875 114.564 108.800 -0.186 0.000 2.320 153 G HA2 0.483 4.443 3.960 0.000 0.000 0.300 153 G HA3 0.483 4.443 3.960 0.000 0.000 0.300 153 G C -0.821 173.893 174.900 -0.310 0.000 1.126 153 G CA -0.411 44.495 45.100 -0.322 0.000 0.896 153 G HN 0.486 nan 8.290 nan 0.000 0.436 154 L N 4.261 125.283 121.223 -0.335 0.000 2.328 154 L HA 0.523 4.863 4.340 0.000 0.000 0.280 154 L C -0.851 175.872 176.870 -0.245 0.000 1.111 154 L CA -1.150 53.603 54.840 -0.146 0.000 0.909 154 L CB -0.727 41.323 42.059 -0.014 0.000 1.277 154 L HN 0.317 nan 8.230 nan 0.000 0.433 155 F N 3.564 123.555 119.950 0.070 0.000 2.427 155 F HA 0.683 5.210 4.527 0.000 0.000 0.352 155 F C 1.184 177.035 175.800 0.085 0.000 1.100 155 F CA 0.160 58.204 58.000 0.073 0.000 1.191 155 F CB 1.290 40.336 39.000 0.076 0.000 1.128 155 F HN 0.618 nan 8.300 nan 0.000 0.533 156 G N 1.446 110.378 108.800 0.219 0.000 2.249 156 G HA2 0.406 4.366 3.960 0.000 0.000 0.252 156 G HA3 0.406 4.366 3.960 0.000 0.000 0.252 156 G C -0.301 174.678 174.900 0.130 0.000 1.697 156 G CA -0.537 44.663 45.100 0.166 0.000 0.916 156 G HN 0.985 nan 8.290 nan 0.000 0.725 157 G N 0.297 109.168 108.800 0.119 0.000 3.152 157 G HA2 0.811 4.771 3.960 0.000 0.000 0.157 157 G HA3 0.811 4.771 3.960 0.000 0.000 0.157 157 G C 0.807 175.758 174.900 0.085 0.000 1.786 157 G CA 0.865 46.028 45.100 0.105 0.000 1.055 157 G HN 1.921 nan 8.290 nan 0.000 0.528 158 A N -2.684 120.177 122.820 0.069 0.000 2.288 158 A HA 0.626 4.946 4.320 0.000 0.000 0.328 158 A C 1.167 178.780 177.584 0.049 0.000 1.123 158 A CA 0.546 52.615 52.037 0.053 0.000 0.861 158 A CB 0.500 19.523 19.000 0.039 0.000 1.272 158 A HN 2.358 nan 8.150 nan 0.000 0.490 159 G N -1.332 107.490 108.800 0.037 0.000 2.225 159 G HA2 -0.091 3.869 3.960 0.000 0.000 0.267 159 G HA3 -0.091 3.869 3.960 0.000 0.000 0.267 159 G C 0.442 175.373 174.900 0.052 0.000 1.024 159 G CA 1.128 46.248 45.100 0.033 0.000 0.784 159 G HN 2.097 nan 8.290 nan 0.000 0.507 160 V N -3.952 116.000 119.914 0.064 0.000 3.166 160 V HA 0.698 4.818 4.120 0.000 0.000 0.332 160 V C 1.554 177.704 176.094 0.094 0.000 1.434 160 V CA 0.483 62.837 62.300 0.089 0.000 1.121 160 V CB 0.022 31.905 31.823 0.100 0.000 1.062 160 V HN 2.080 nan 8.190 nan 0.000 0.489 161 G N 1.390 110.226 108.800 0.060 0.000 2.149 161 G HA2 -0.296 3.664 3.960 0.000 0.000 0.235 161 G HA3 -0.296 3.664 3.960 0.000 0.000 0.235 161 G C 0.875 175.831 174.900 0.092 0.000 1.018 161 G CA 0.719 45.848 45.100 0.049 0.000 0.728 161 G HN 0.541 nan 8.290 nan 0.000 0.508 162 K N 0.261 120.712 120.400 0.086 0.000 1.991 162 K HA -0.103 4.217 4.320 0.000 0.000 0.207 162 K C 2.883 179.528 176.600 0.074 0.000 1.045 162 K CA 2.268 58.615 56.287 0.100 0.000 0.937 162 K CB -0.651 31.905 32.500 0.094 0.000 0.720 162 K HN 0.629 nan 8.250 nan 0.000 0.438 163 T N -0.935 113.642 114.554 0.038 0.000 2.849 163 T HA -0.096 4.254 4.350 0.000 0.000 0.270 163 T C 2.036 176.743 174.700 0.012 0.000 1.066 163 T CA 1.420 63.518 62.100 -0.004 0.000 1.130 163 T CB -0.390 68.461 68.868 -0.029 0.000 0.864 163 T HN 0.020 nan 8.240 nan 0.000 0.481 164 V N 0.600 120.549 119.914 0.058 0.000 2.488 164 V HA 0.061 4.181 4.120 0.000 0.000 0.246 164 V C 2.513 178.725 176.094 0.197 0.000 1.046 164 V CA 1.274 63.643 62.300 0.115 0.000 1.053 164 V CB -0.387 31.502 31.823 0.110 0.000 0.679 164 V HN 0.437 nan 8.190 nan 0.000 0.458 165 L N -0.192 121.167 121.223 0.227 0.000 2.046 165 L HA -0.112 4.228 4.340 0.000 0.000 0.208 165 L C 2.098 179.033 176.870 0.107 0.000 1.077 165 L CA 1.933 56.927 54.840 0.258 0.000 0.747 165 L CB -0.446 41.780 42.059 0.278 0.000 0.896 165 L HN 0.227 nan 8.230 nan 0.000 0.432 166 I N -1.393 119.195 120.570 0.030 0.000 2.226 166 I HA -0.354 3.816 4.170 0.000 0.000 0.245 166 I C 2.464 178.471 176.117 -0.184 0.000 1.100 166 I CA 1.618 62.800 61.300 -0.196 0.000 1.374 166 I CB -0.227 37.517 38.000 -0.426 0.000 1.057 166 I HN 0.297 nan 8.210 nan 0.000 0.413 167 M N -0.135 119.403 119.600 -0.104 0.000 2.159 167 M HA -0.228 4.252 4.480 0.000 0.000 0.263 167 M C 2.228 178.513 176.300 -0.025 0.000 1.063 167 M CA 1.667 56.932 55.300 -0.058 0.000 1.110 167 M CB -0.224 32.363 32.600 -0.021 0.000 1.374 167 M HN 0.132 nan 8.290 nan 0.000 0.411 168 E N 0.908 121.076 120.200 -0.054 0.000 2.017 168 E HA -0.156 4.194 4.350 0.000 0.000 0.193 168 E C 1.743 178.278 176.600 -0.109 0.000 0.997 168 E CA 1.475 57.770 56.400 -0.175 0.000 0.804 168 E CB -0.436 28.917 29.700 -0.580 0.000 0.757 168 E HN 0.422 nan 8.360 nan 0.000 0.448 169 L N 0.263 121.469 121.223 -0.027 0.000 2.021 169 L HA -0.260 4.080 4.340 0.000 0.000 0.215 169 L C 2.582 179.561 176.870 0.183 0.000 1.074 169 L CA 1.488 56.400 54.840 0.120 0.000 0.760 169 L CB -0.583 41.690 42.059 0.357 0.000 0.889 169 L HN 0.260 nan 8.230 nan 0.000 0.433 170 I N -0.039 120.668 120.570 0.229 0.000 2.052 170 I HA -0.398 3.772 4.170 0.000 0.000 0.235 170 I C 2.388 178.572 176.117 0.112 0.000 1.046 170 I CA 2.187 63.617 61.300 0.215 0.000 1.308 170 I CB -0.451 37.652 38.000 0.171 0.000 1.031 170 I HN 0.385 nan 8.210 nan 0.000 0.395 171 N N 0.795 119.528 118.700 0.056 0.000 2.137 171 N HA -0.243 4.497 4.740 0.000 0.000 0.190 171 N C 1.530 177.039 175.510 -0.001 0.000 1.017 171 N CA 1.881 54.943 53.050 0.021 0.000 0.859 171 N CB -0.045 38.440 38.487 -0.002 0.000 1.002 171 N HN 0.252 nan 8.380 nan 0.000 0.428 172 N N -0.696 117.995 118.700 -0.014 0.000 2.300 172 N HA -0.024 4.716 4.740 0.000 0.000 0.179 172 N C 1.457 176.964 175.510 -0.004 0.000 1.016 172 N CA 0.535 53.562 53.050 -0.037 0.000 0.876 172 N CB -0.199 38.243 38.487 -0.074 0.000 0.979 172 N HN 0.085 nan 8.380 nan 0.000 0.432 173 V N 0.783 120.743 119.914 0.076 0.000 2.488 173 V HA -0.017 4.103 4.120 0.000 0.000 0.246 173 V C 2.146 178.292 176.094 0.087 0.000 1.046 173 V CA 1.470 63.884 62.300 0.191 0.000 1.053 173 V CB -0.649 31.284 31.823 0.183 0.000 0.679 173 V HN 0.267 nan 8.190 nan 0.000 0.458 174 A N -0.326 122.513 122.820 0.033 0.000 1.902 174 A HA -0.216 4.104 4.320 0.000 0.000 0.217 174 A C 2.204 179.755 177.584 -0.055 0.000 1.181 174 A CA 2.002 54.029 52.037 -0.016 0.000 0.623 174 A CB -0.362 18.656 19.000 0.029 0.000 0.818 174 A HN 0.445 nan 8.150 nan 0.000 0.443 175 K N -0.198 120.166 120.400 -0.060 0.000 2.007 175 K HA 0.157 4.477 4.320 0.000 0.000 0.206 175 K C 1.896 178.409 176.600 -0.145 0.000 1.047 175 K CA 1.397 57.634 56.287 -0.083 0.000 0.937 175 K CB -0.396 32.062 32.500 -0.070 0.000 0.718 175 K HN 0.359 nan 8.250 nan 0.000 0.438 176 A N -0.336 122.335 122.820 -0.249 0.000 2.251 176 A HA 0.004 4.324 4.320 0.000 0.000 0.209 176 A C 0.597 177.742 177.584 -0.730 0.000 1.187 176 A CA 0.759 52.512 52.037 -0.474 0.000 0.823 176 A CB -0.239 18.400 19.000 -0.601 0.000 0.846 176 A HN 0.333 nan 8.150 nan 0.000 0.486 177 H N -3.284 115.751 119.070 -0.059 0.000 3.935 177 H HA 0.190 4.746 4.556 0.000 0.000 0.264 177 H C 1.637 176.900 175.328 -0.108 0.000 1.148 177 H CA 0.555 56.561 56.048 -0.070 0.000 1.177 177 H CB 0.320 30.046 29.762 -0.061 0.000 1.511 177 H HN 0.558 nan 8.280 nan 0.000 0.745 178 G N 0.942 109.704 108.800 -0.062 0.000 2.363 178 G HA2 -0.283 3.678 3.960 0.000 0.000 0.238 178 G HA3 -0.283 3.678 3.960 0.000 0.000 0.238 178 G C 0.966 175.655 174.900 -0.351 0.000 1.062 178 G CA 0.290 45.288 45.100 -0.171 0.000 0.629 178 G HN 0.702 nan 8.290 nan 0.000 0.514 179 G N -0.023 108.629 108.800 -0.247 0.000 2.442 179 G HA2 0.520 4.480 3.960 0.000 0.000 0.249 179 G HA3 0.520 4.480 3.960 0.000 0.000 0.249 179 G C 0.082 174.761 174.900 -0.368 0.000 1.263 179 G CA -0.010 44.887 45.100 -0.339 0.000 0.846 179 G HN 0.341 nan 8.290 nan 0.000 0.555 180 Y N 0.209 120.373 120.300 -0.226 0.000 2.356 180 Y HA 0.570 5.120 4.550 0.000 0.000 0.341 180 Y C 1.063 176.934 175.900 -0.047 0.000 1.343 180 Y CA -0.691 57.274 58.100 -0.226 0.000 1.570 180 Y CB 0.960 39.087 38.460 -0.556 0.000 1.558 180 Y HN 0.413 nan 8.280 nan 0.000 0.557 181 S N -0.373 115.475 115.700 0.247 0.000 2.542 181 S HA 0.727 5.197 4.470 0.000 0.000 0.293 181 S C -1.406 173.378 174.600 0.307 0.000 1.089 181 S CA -0.780 57.584 58.200 0.274 0.000 0.961 181 S CB 1.772 65.208 63.200 0.393 0.000 1.062 181 S HN 0.289 nan 8.310 nan 0.000 0.483 182 V N 2.746 122.838 119.914 0.297 0.000 2.604 182 V HA 0.543 4.663 4.120 0.000 0.000 0.305 182 V C -1.226 175.065 176.094 0.329 0.000 1.043 182 V CA -0.688 61.772 62.300 0.266 0.000 0.888 182 V CB 1.448 33.374 31.823 0.172 0.000 0.995 182 V HN 0.839 nan 8.190 nan 0.000 0.429 183 F N 4.014 124.078 119.950 0.190 0.000 2.375 183 F HA 0.767 5.294 4.527 0.000 0.000 0.361 183 F C 0.307 176.195 175.800 0.146 0.000 1.117 183 F CA -0.573 57.549 58.000 0.204 0.000 1.037 183 F CB 1.012 40.093 39.000 0.134 0.000 1.192 183 F HN 0.569 nan 8.300 nan 0.000 0.452 184 A N 4.483 127.095 122.820 -0.347 0.000 2.249 184 A HA 0.612 4.932 4.320 0.000 0.000 0.314 184 A C 0.214 177.672 177.584 -0.211 0.000 1.290 184 A CA -0.313 51.633 52.037 -0.150 0.000 0.893 184 A CB 0.153 19.070 19.000 -0.139 0.000 1.165 184 A HN 0.992 nan 8.150 nan 0.000 0.530 185 G N 1.945 110.850 108.800 0.175 0.000 2.546 185 G HA2 0.470 4.430 3.960 0.000 0.000 0.320 185 G HA3 0.470 4.430 3.960 0.000 0.000 0.320 185 G C -0.322 174.623 174.900 0.075 0.000 0.984 185 G CA -0.179 45.038 45.100 0.196 0.000 1.183 185 G HN 0.680 nan 8.290 nan 0.000 0.443 186 V N 2.578 122.508 119.914 0.027 0.000 2.372 186 V HA 0.526 4.646 4.120 0.000 0.000 0.261 186 V C 1.307 177.426 176.094 0.041 0.000 1.055 186 V CA 0.398 62.725 62.300 0.045 0.000 0.930 186 V CB 0.367 32.228 31.823 0.064 0.000 1.031 186 V HN 1.212 nan 8.190 nan 0.000 0.479 187 G N 3.213 112.030 108.800 0.029 0.000 2.272 187 G HA2 -0.198 3.762 3.960 0.000 0.000 0.280 187 G HA3 -0.198 3.762 3.960 0.000 0.000 0.280 187 G C 0.049 174.941 174.900 -0.014 0.000 1.067 187 G CA -0.226 44.882 45.100 0.013 0.000 0.902 187 G HN 0.630 nan 8.290 nan 0.000 0.500 188 E N 0.011 120.179 120.200 -0.053 0.000 2.413 188 E HA 0.149 4.499 4.350 0.000 0.000 0.263 188 E C 1.208 177.741 176.600 -0.111 0.000 1.015 188 E CA -0.042 56.282 56.400 -0.126 0.000 0.916 188 E CB 0.370 29.861 29.700 -0.349 0.000 0.947 188 E HN 0.528 nan 8.360 nan 0.000 0.440 189 R N 2.150 122.591 120.500 -0.098 0.000 2.267 189 R HA 0.101 4.441 4.340 0.000 0.000 0.319 189 R C 1.388 177.633 176.300 -0.092 0.000 1.067 189 R CA -0.147 55.911 56.100 -0.071 0.000 0.936 189 R CB 0.343 30.616 30.300 -0.045 0.000 1.006 189 R HN 0.483 nan 8.270 nan 0.000 0.452 190 T N 2.176 116.690 114.554 -0.066 0.000 2.684 190 T HA -0.311 4.039 4.350 0.000 0.000 0.267 190 T C 1.764 176.451 174.700 -0.022 0.000 1.032 190 T CA 1.839 63.913 62.100 -0.044 0.000 1.155 190 T CB -0.185 68.679 68.868 -0.008 0.000 0.857 190 T HN 0.563 nan 8.240 nan 0.000 0.457 191 R N 0.947 121.440 120.500 -0.012 0.000 2.082 191 R HA -0.125 4.215 4.340 0.000 0.000 0.234 191 R C 2.350 178.654 176.300 0.007 0.000 1.136 191 R CA 1.943 58.047 56.100 0.008 0.000 0.935 191 R CB -0.233 30.069 30.300 0.003 0.000 0.842 191 R HN 0.520 nan 8.270 nan 0.000 0.430 192 E N -0.854 119.333 120.200 -0.021 0.000 2.265 192 E HA -0.130 4.220 4.350 0.000 0.000 0.196 192 E C 1.791 178.365 176.600 -0.044 0.000 0.996 192 E CA 0.886 57.271 56.400 -0.026 0.000 0.832 192 E CB -0.101 29.577 29.700 -0.036 0.000 0.756 192 E HN 0.615 nan 8.360 nan 0.000 0.491 193 G N 1.877 110.619 108.800 -0.098 0.000 2.434 193 G HA2 -0.326 3.634 3.960 0.000 0.000 0.214 193 G HA3 -0.326 3.634 3.960 0.000 0.000 0.214 193 G C 1.456 176.440 174.900 0.141 0.000 1.202 193 G CA 0.879 45.889 45.100 -0.150 0.000 0.788 193 G HN 0.207 nan 8.290 nan 0.000 0.539 194 N N 1.057 119.846 118.700 0.149 0.000 2.137 194 N HA -0.111 4.629 4.740 0.000 0.000 0.190 194 N C 1.608 177.267 175.510 0.248 0.000 1.017 194 N CA 1.807 54.999 53.050 0.237 0.000 0.859 194 N CB -0.280 38.340 38.487 0.222 0.000 1.002 194 N HN 0.186 nan 8.380 nan 0.000 0.428 195 D N -0.573 119.919 120.400 0.154 0.000 2.149 195 D HA -0.079 4.561 4.640 0.000 0.000 0.201 195 D C 1.773 178.128 176.300 0.092 0.000 0.972 195 D CA 0.470 54.543 54.000 0.120 0.000 0.835 195 D CB -0.245 40.590 40.800 0.059 0.000 0.966 195 D HN 0.304 nan 8.370 nan 0.000 0.476 196 L N -0.322 120.940 121.223 0.066 0.000 2.240 196 L HA -0.068 4.272 4.340 0.000 0.000 0.211 196 L C 1.959 178.859 176.870 0.051 0.000 1.106 196 L CA 1.146 55.987 54.840 0.002 0.000 0.793 196 L CB -0.370 41.635 42.059 -0.089 0.000 0.927 196 L HN -0.018 nan 8.230 nan 0.000 0.446 197 Y N 0.164 120.430 120.300 -0.056 0.000 2.109 197 Y HA -0.218 4.333 4.550 0.000 0.000 0.285 197 Y C 2.511 178.316 175.900 -0.159 0.000 1.131 197 Y CA 2.147 60.156 58.100 -0.153 0.000 1.121 197 Y CB -0.891 37.431 38.460 -0.228 0.000 0.987 197 Y HN 0.382 nan 8.280 nan 0.000 0.495 198 H N -0.516 118.500 119.070 -0.091 0.000 2.456 198 H HA -0.090 4.466 4.556 0.000 0.000 0.296 198 H C 2.104 177.369 175.328 -0.105 0.000 1.079 198 H CA 1.400 57.324 56.048 -0.208 0.000 1.322 198 H CB 0.085 29.774 29.762 -0.122 0.000 1.388 198 H HN 0.493 nan 8.280 nan 0.000 0.538 199 E N 0.153 120.385 120.200 0.053 0.000 2.216 199 E HA -0.110 4.240 4.350 0.000 0.000 0.192 199 E C 1.822 178.428 176.600 0.010 0.000 0.988 199 E CA 0.386 56.812 56.400 0.043 0.000 0.834 199 E CB 0.146 29.864 29.700 0.030 0.000 0.772 199 E HN 0.462 nan 8.360 nan 0.000 0.479 200 M N 0.096 119.681 119.600 -0.025 0.000 2.193 200 M HA -0.060 4.420 4.480 0.000 0.000 0.265 200 M C 2.122 178.397 176.300 -0.042 0.000 1.071 200 M CA 0.986 56.266 55.300 -0.033 0.000 1.140 200 M CB -0.010 32.573 32.600 -0.029 0.000 1.369 200 M HN 0.179 nan 8.290 nan 0.000 0.423 201 I N 0.053 120.567 120.570 -0.093 0.000 2.118 201 I HA -0.334 3.836 4.170 0.000 0.000 0.241 201 I C 2.217 178.302 176.117 -0.054 0.000 1.070 201 I CA 1.595 62.832 61.300 -0.105 0.000 1.327 201 I CB -0.599 37.282 38.000 -0.198 0.000 1.034 201 I HN 0.353 nan 8.210 nan 0.000 0.405 202 E N 0.520 120.703 120.200 -0.027 0.000 2.204 202 E HA -0.181 4.169 4.350 0.000 0.000 0.195 202 E C 2.191 178.783 176.600 -0.014 0.000 0.990 202 E CA 1.611 58.003 56.400 -0.013 0.000 0.821 202 E CB -0.013 29.704 29.700 0.029 0.000 0.750 202 E HN 0.568 nan 8.360 nan 0.000 0.477 203 S N -1.353 114.350 115.700 0.005 0.000 2.527 203 S HA 0.106 4.576 4.470 0.000 0.000 0.222 203 S C 1.668 176.264 174.600 -0.007 0.000 0.985 203 S CA 0.604 58.812 58.200 0.013 0.000 0.921 203 S CB 0.595 63.813 63.200 0.030 0.000 0.772 203 S HN 0.351 nan 8.310 nan 0.000 0.529 204 G N 0.908 109.698 108.800 -0.017 0.000 2.217 204 G HA2 -0.371 3.589 3.960 0.000 0.000 0.246 204 G HA3 -0.371 3.589 3.960 0.000 0.000 0.246 204 G C 0.971 175.865 174.900 -0.009 0.000 0.990 204 G CA 0.537 45.626 45.100 -0.018 0.000 0.627 204 G HN 1.385 nan 8.290 nan 0.000 0.522 205 V N -1.273 118.638 119.914 -0.004 0.000 3.026 205 V HA 0.358 4.478 4.120 0.000 0.000 0.265 205 V C 1.239 177.332 176.094 -0.000 0.000 1.121 205 V CA 1.563 63.865 62.300 0.005 0.000 1.142 205 V CB -0.383 31.444 31.823 0.007 0.000 0.730 205 V HN 0.531 nan 8.190 nan 0.000 0.503 206 I N 0.796 121.359 120.570 -0.011 0.000 2.647 206 I HA 0.465 4.635 4.170 0.000 0.000 0.295 206 I C -0.825 175.279 176.117 -0.022 0.000 1.078 206 I CA -0.438 60.855 61.300 -0.011 0.000 1.048 206 I CB 2.103 40.109 38.000 0.009 0.000 1.239 206 I HN 0.132 nan 8.210 nan 0.000 0.421 207 N N 6.019 124.707 118.700 -0.020 0.000 2.399 207 N HA 0.358 5.098 4.740 0.000 0.000 0.284 207 N C 0.020 175.520 175.510 -0.018 0.000 1.025 207 N CA -0.419 52.617 53.050 -0.023 0.000 0.885 207 N CB 2.065 40.540 38.487 -0.020 0.000 1.339 207 N HN 0.593 nan 8.380 nan 0.000 0.487 208 L N 2.589 123.799 121.223 -0.022 0.000 2.650 208 L HA 0.037 4.377 4.340 0.000 0.000 0.235 208 L C 1.257 178.122 176.870 -0.007 0.000 1.149 208 L CA 0.740 55.574 54.840 -0.010 0.000 0.887 208 L CB 0.073 42.121 42.059 -0.018 0.000 1.021 208 L HN 0.456 nan 8.230 nan 0.000 0.441 209 K N -0.203 120.190 120.400 -0.012 0.000 2.572 209 K HA 0.110 4.430 4.320 0.000 0.000 0.234 209 K C -0.147 176.447 176.600 -0.011 0.000 1.374 209 K CA -0.131 56.150 56.287 -0.010 0.000 0.771 209 K CB 0.301 32.794 32.500 -0.011 0.000 1.738 209 K HN 0.148 nan 8.250 nan 0.000 0.388 210 D N 0.459 120.852 120.400 -0.012 0.000 2.177 210 D HA 0.342 4.982 4.640 0.000 0.000 0.247 210 D C -0.298 175.994 176.300 -0.014 0.000 1.063 210 D CA -0.605 53.389 54.000 -0.010 0.000 0.867 210 D CB 1.595 42.390 40.800 -0.008 0.000 1.168 210 D HN 0.262 nan 8.370 nan 0.000 0.445 211 A N 2.230 125.042 122.820 -0.014 0.000 2.102 211 A HA 0.013 4.333 4.320 0.000 0.000 0.216 211 A C 1.463 179.036 177.584 -0.018 0.000 1.575 211 A CA 0.756 52.780 52.037 -0.022 0.000 1.666 211 A CB -1.466 17.524 19.000 -0.017 0.000 0.723 211 A HN 0.693 nan 8.150 nan 0.000 0.642 212 T N -3.557 110.989 114.554 -0.014 0.000 3.081 212 T HA 0.143 4.493 4.350 0.000 0.000 0.250 212 T C 0.779 175.474 174.700 -0.009 0.000 1.100 212 T CA 0.409 62.509 62.100 -0.000 0.000 1.038 212 T CB -0.267 68.603 68.868 0.003 0.000 0.962 212 T HN 0.252 nan 8.240 nan 0.000 0.516 213 S N 2.148 117.824 115.700 -0.039 0.000 2.673 213 S HA 0.082 4.552 4.470 0.000 0.000 0.308 213 S C 0.961 175.507 174.600 -0.090 0.000 1.246 213 S CA -0.064 58.103 58.200 -0.055 0.000 1.077 213 S CB 0.376 63.531 63.200 -0.074 0.000 0.814 213 S HN 0.536 nan 8.310 nan 0.000 0.503 214 K N 1.787 122.177 120.400 -0.016 0.000 2.367 214 K HA 0.171 4.491 4.320 0.000 0.000 0.194 214 K C -0.367 176.259 176.600 0.043 0.000 1.027 214 K CA 0.205 56.527 56.287 0.058 0.000 1.075 214 K CB 0.513 33.099 32.500 0.143 0.000 0.845 214 K HN 0.358 nan 8.250 nan 0.000 0.529 215 V N 0.924 120.847 119.914 0.014 0.000 2.656 215 V HA 0.567 4.687 4.120 0.000 0.000 0.307 215 V C -0.720 175.394 176.094 0.034 0.000 1.051 215 V CA -1.374 60.971 62.300 0.075 0.000 0.893 215 V CB 1.652 33.537 31.823 0.104 0.000 0.999 215 V HN 0.075 nan 8.190 nan 0.000 0.426 216 A N 4.872 127.745 122.820 0.089 0.000 2.317 216 A HA 0.889 5.209 4.320 0.000 0.000 0.327 216 A C -0.800 176.811 177.584 0.044 0.000 1.178 216 A CA -0.539 51.522 52.037 0.040 0.000 0.817 216 A CB 0.760 19.803 19.000 0.070 0.000 1.189 216 A HN 0.827 nan 8.150 nan 0.000 0.489 217 L N 2.824 124.003 121.223 -0.073 0.000 2.296 217 L HA 0.526 4.866 4.340 0.000 0.000 0.286 217 L C -0.938 175.828 176.870 -0.173 0.000 1.023 217 L CA -0.800 53.958 54.840 -0.136 0.000 0.812 217 L CB 1.778 43.571 42.059 -0.444 0.000 1.223 217 L HN 0.427 nan 8.230 nan 0.000 0.421 218 V N 3.413 123.325 119.914 -0.004 0.000 2.378 218 V HA 0.390 4.510 4.120 0.000 0.000 0.288 218 V C -0.932 175.303 176.094 0.235 0.000 1.016 218 V CA -0.645 61.669 62.300 0.024 0.000 0.840 218 V CB 1.520 33.357 31.823 0.023 0.000 0.994 218 V HN 0.369 nan 8.190 nan 0.000 0.431 219 Y N 2.410 122.725 120.300 0.024 0.000 2.335 219 Y HA 0.710 5.260 4.550 0.000 0.000 0.338 219 Y C 0.707 176.619 175.900 0.021 0.000 0.977 219 Y CA -1.558 56.564 58.100 0.037 0.000 1.114 219 Y CB 2.259 40.724 38.460 0.008 0.000 1.182 219 Y HN 0.665 nan 8.280 nan 0.000 0.463 220 G N 4.310 113.202 108.800 0.154 0.000 2.788 220 G HA2 0.430 4.390 3.960 0.000 0.000 0.327 220 G HA3 0.430 4.390 3.960 0.000 0.000 0.327 220 G C -0.605 174.315 174.900 0.034 0.000 1.249 220 G CA -0.584 44.563 45.100 0.079 0.000 1.063 220 G HN 0.560 nan 8.290 nan 0.000 0.497 221 Q N 1.519 121.333 119.800 0.023 0.000 2.417 221 Q HA 0.236 4.576 4.340 0.000 0.000 0.241 221 Q C 1.651 177.649 176.000 -0.003 0.000 1.008 221 Q CA -0.356 55.440 55.803 -0.012 0.000 0.901 221 Q CB 1.516 30.249 28.738 -0.009 0.000 1.259 221 Q HN 0.539 nan 8.270 nan 0.000 0.489 222 M N 1.172 120.764 119.600 -0.013 0.000 2.106 222 M HA -0.248 4.232 4.480 0.000 0.000 0.259 222 M C 1.151 177.451 176.300 0.000 0.000 1.068 222 M CA 1.640 56.937 55.300 -0.005 0.000 1.100 222 M CB -0.501 32.093 32.600 -0.010 0.000 1.351 222 M HN 0.657 nan 8.290 nan 0.000 0.404 223 N N 0.156 118.856 118.700 0.001 0.000 2.443 223 N HA -0.086 4.654 4.740 0.000 0.000 0.184 223 N C 0.038 175.553 175.510 0.008 0.000 1.037 223 N CA 0.479 53.531 53.050 0.004 0.000 0.896 223 N CB -0.258 38.233 38.487 0.006 0.000 0.959 223 N HN 0.569 nan 8.380 nan 0.000 0.442 224 E N 1.673 121.879 120.200 0.011 0.000 2.374 224 E HA 0.184 4.534 4.350 0.000 0.000 0.260 224 E C -2.193 174.414 176.600 0.012 0.000 1.101 224 E CA -1.883 54.526 56.400 0.014 0.000 0.907 224 E CB 0.357 30.069 29.700 0.021 0.000 1.014 224 E HN 0.072 nan 8.360 nan 0.000 0.427 225 P HA -0.028 nan 4.420 nan 0.000 0.271 225 P C -2.061 175.244 177.300 0.008 0.000 1.233 225 P CA -1.067 62.038 63.100 0.009 0.000 0.789 225 P CB -0.131 31.575 31.700 0.010 0.000 0.951 226 P HA -0.163 nan 4.420 nan 0.000 0.218 226 P C 1.564 178.862 177.300 -0.003 0.000 1.148 226 P CA 1.876 64.971 63.100 -0.007 0.000 0.822 226 P CB -0.593 31.096 31.700 -0.020 0.000 0.784 227 G N 0.588 109.393 108.800 0.007 0.000 2.421 227 G HA2 -0.224 3.736 3.960 0.000 0.000 0.216 227 G HA3 -0.224 3.736 3.960 0.000 0.000 0.216 227 G C 1.819 176.740 174.900 0.035 0.000 1.171 227 G CA 1.166 46.278 45.100 0.021 0.000 0.775 227 G HN 0.365 nan 8.290 nan 0.000 0.543 228 A N 1.320 124.159 122.820 0.032 0.000 1.858 228 A HA -0.057 4.263 4.320 0.000 0.000 0.216 228 A C 2.416 180.027 177.584 0.044 0.000 1.190 228 A CA 1.683 53.742 52.037 0.037 0.000 0.617 228 A CB -0.416 18.603 19.000 0.032 0.000 0.827 228 A HN 0.394 nan 8.150 nan 0.000 0.443 229 R N -0.246 120.276 120.500 0.037 0.000 2.237 229 R HA 0.060 4.400 4.340 0.000 0.000 0.219 229 R C 2.031 178.376 176.300 0.075 0.000 1.080 229 R CA 0.874 57.004 56.100 0.049 0.000 0.995 229 R CB -0.379 29.941 30.300 0.034 0.000 0.875 229 R HN 0.489 nan 8.270 nan 0.000 0.462 230 A N 1.049 123.903 122.820 0.056 0.000 2.021 230 A HA 0.018 4.338 4.320 0.000 0.000 0.216 230 A C 1.823 179.527 177.584 0.200 0.000 1.163 230 A CA 0.444 52.522 52.037 0.069 0.000 0.676 230 A CB 0.110 19.084 19.000 -0.043 0.000 0.818 230 A HN 0.016 nan 8.150 nan 0.000 0.453 231 R N 0.026 120.604 120.500 0.130 0.000 2.127 231 R HA -0.025 4.315 4.340 0.000 0.000 0.217 231 R C 2.076 178.407 176.300 0.051 0.000 1.074 231 R CA 1.364 57.521 56.100 0.096 0.000 0.991 231 R CB -1.529 28.801 30.300 0.050 0.000 0.895 231 R HN 0.534 nan 8.270 nan 0.000 0.450 232 V N -0.575 119.373 119.914 0.056 0.000 2.380 232 V HA -0.170 3.950 4.120 0.000 0.000 0.251 232 V C 2.291 178.375 176.094 -0.016 0.000 1.063 232 V CA 1.888 64.203 62.300 0.026 0.000 1.055 232 V CB -1.346 30.506 31.823 0.048 0.000 0.657 232 V HN 0.170 nan 8.190 nan 0.000 0.455 233 A N 0.312 123.111 122.820 -0.035 0.000 2.066 233 A HA 0.108 4.428 4.320 0.000 0.000 0.218 233 A C 2.197 179.686 177.584 -0.158 0.000 1.157 233 A CA 1.663 53.603 52.037 -0.160 0.000 0.670 233 A CB -0.486 18.292 19.000 -0.370 0.000 0.804 233 A HN 0.592 nan 8.150 nan 0.000 0.453 234 L N -1.321 119.841 121.223 -0.102 0.000 2.095 234 L HA -0.084 4.256 4.340 0.000 0.000 0.204 234 L C 2.714 179.514 176.870 -0.115 0.000 1.080 234 L CA 1.525 56.297 54.840 -0.113 0.000 0.759 234 L CB -1.065 40.923 42.059 -0.118 0.000 0.914 234 L HN 0.258 nan 8.230 nan 0.000 0.439 235 T N 0.130 114.625 114.554 -0.098 0.000 2.684 235 T HA -0.167 4.184 4.350 0.000 0.000 0.267 235 T C 1.845 176.494 174.700 -0.085 0.000 1.036 235 T CA 1.592 63.638 62.100 -0.091 0.000 1.148 235 T CB -0.629 68.201 68.868 -0.064 0.000 0.863 235 T HN 0.561 nan 8.240 nan 0.000 0.436 236 G N 0.967 109.724 108.800 -0.071 0.000 2.448 236 G HA2 -0.112 3.848 3.960 0.000 0.000 0.219 236 G HA3 -0.112 3.848 3.960 0.000 0.000 0.219 236 G C 1.473 176.330 174.900 -0.071 0.000 1.127 236 G CA 0.438 45.502 45.100 -0.059 0.000 0.766 236 G HN 0.391 nan 8.290 nan 0.000 0.552 237 L N 0.970 122.137 121.223 -0.093 0.000 2.156 237 L HA 0.100 4.440 4.340 0.000 0.000 0.208 237 L C 2.807 179.631 176.870 -0.077 0.000 1.095 237 L CA 2.015 56.800 54.840 -0.092 0.000 0.770 237 L CB -0.858 41.132 42.059 -0.116 0.000 0.914 237 L HN 0.140 nan 8.230 nan 0.000 0.439 238 T N -1.194 113.308 114.554 -0.085 0.000 2.737 238 T HA -0.149 4.201 4.350 0.000 0.000 0.265 238 T C 1.999 176.638 174.700 -0.102 0.000 1.038 238 T CA 1.642 63.694 62.100 -0.081 0.000 1.144 238 T CB -0.401 68.414 68.868 -0.089 0.000 0.866 238 T HN 0.164 nan 8.240 nan 0.000 0.434 239 V N 1.950 121.784 119.914 -0.133 0.000 2.255 239 V HA -0.231 3.889 4.120 0.000 0.000 0.247 239 V C 2.935 178.894 176.094 -0.226 0.000 1.051 239 V CA 1.883 64.054 62.300 -0.216 0.000 1.018 239 V CB -1.306 30.420 31.823 -0.162 0.000 0.641 239 V HN 0.553 nan 8.190 nan 0.000 0.445 240 A N -0.662 122.122 122.820 -0.060 0.000 1.908 240 A HA -0.286 4.034 4.320 0.000 0.000 0.218 240 A C 2.166 179.763 177.584 0.022 0.000 1.181 240 A CA 2.067 54.138 52.037 0.056 0.000 0.627 240 A CB -0.560 18.476 19.000 0.060 0.000 0.818 240 A HN 0.645 nan 8.150 nan 0.000 0.445 241 E N -1.832 118.352 120.200 -0.026 0.000 2.118 241 E HA -0.227 4.123 4.350 0.000 0.000 0.195 241 E C 1.777 178.366 176.600 -0.020 0.000 0.992 241 E CA 1.387 57.776 56.400 -0.018 0.000 0.804 241 E CB -0.295 29.388 29.700 -0.027 0.000 0.741 241 E HN 0.807 nan 8.360 nan 0.000 0.458 242 Y N 0.173 120.341 120.300 -0.219 0.000 2.128 242 Y HA -0.269 4.281 4.550 0.000 0.000 0.284 242 Y C 1.735 177.543 175.900 -0.153 0.000 1.154 242 Y CA 1.650 59.597 58.100 -0.254 0.000 1.149 242 Y CB -0.157 38.026 38.460 -0.460 0.000 0.976 242 Y HN -0.019 nan 8.280 nan 0.000 0.505 243 F N -0.103 119.983 119.950 0.226 0.000 2.365 243 F HA -0.042 4.485 4.527 0.000 0.000 0.300 243 F C 2.545 178.355 175.800 0.017 0.000 1.090 243 F CA 1.345 59.437 58.000 0.154 0.000 1.408 243 F CB -0.786 38.343 39.000 0.215 0.000 1.060 243 F HN 0.009 nan 8.300 nan 0.000 0.534 244 R N 0.609 121.193 120.500 0.141 0.000 2.051 244 R HA -0.087 4.253 4.340 0.000 0.000 0.225 244 R C 1.583 177.874 176.300 -0.015 0.000 1.155 244 R CA 1.757 57.888 56.100 0.051 0.000 0.945 244 R CB -0.287 30.027 30.300 0.022 0.000 0.840 244 R HN 0.057 nan 8.270 nan 0.000 0.432 245 D N 0.019 120.384 120.400 -0.059 0.000 2.317 245 D HA -0.080 4.560 4.640 0.000 0.000 0.211 245 D C 1.557 177.770 176.300 -0.145 0.000 0.966 245 D CA 0.766 54.712 54.000 -0.089 0.000 0.876 245 D CB 0.314 41.066 40.800 -0.080 0.000 0.927 245 D HN 0.347 nan 8.370 nan 0.000 0.519 246 Q N -0.130 119.525 119.800 -0.241 0.000 2.431 246 Q HA 0.127 4.467 4.340 0.000 0.000 0.244 246 Q C 1.163 177.062 176.000 -0.169 0.000 0.880 246 Q CA 0.344 55.959 55.803 -0.313 0.000 0.954 246 Q CB 0.616 28.895 28.738 -0.765 0.000 1.105 246 Q HN 0.367 nan 8.270 nan 0.000 0.558 247 E N 0.013 120.167 120.200 -0.076 0.000 2.498 247 E HA 0.186 4.536 4.350 0.000 0.000 0.203 247 E C 0.452 177.058 176.600 0.010 0.000 1.013 247 E CA 0.238 56.651 56.400 0.023 0.000 0.927 247 E CB 0.787 30.580 29.700 0.155 0.000 1.012 247 E HN 0.412 nan 8.360 nan 0.000 0.482 248 G N 2.415 111.211 108.800 -0.006 0.000 2.187 248 G HA2 -0.350 3.610 3.960 0.000 0.000 0.261 248 G HA3 -0.350 3.610 3.960 0.000 0.000 0.261 248 G C 0.210 175.105 174.900 -0.009 0.000 1.000 248 G CA 0.628 45.721 45.100 -0.011 0.000 0.718 248 G HN 0.267 nan 8.290 nan 0.000 0.519 249 Q N -0.247 119.557 119.800 0.007 0.000 2.407 249 Q HA 0.402 4.742 4.340 0.000 0.000 0.214 249 Q C -0.621 175.370 176.000 -0.016 0.000 1.043 249 Q CA -0.296 55.493 55.803 -0.024 0.000 0.983 249 Q CB 0.580 29.278 28.738 -0.066 0.000 1.211 249 Q HN 0.244 nan 8.270 nan 0.000 0.564 250 D N 1.366 121.739 120.400 -0.045 0.000 2.467 250 D HA 0.213 4.854 4.640 0.000 0.000 0.220 250 D C -0.703 175.575 176.300 -0.038 0.000 1.103 250 D CA -0.125 53.841 54.000 -0.056 0.000 0.886 250 D CB 0.765 41.497 40.800 -0.114 0.000 1.025 250 D HN 0.118 nan 8.370 nan 0.000 0.514 251 V N 1.975 121.896 119.914 0.011 0.000 2.834 251 V HA 0.250 4.370 4.120 0.000 0.000 0.301 251 V C 0.698 176.785 176.094 -0.012 0.000 1.066 251 V CA -0.716 61.616 62.300 0.054 0.000 1.052 251 V CB 1.583 33.512 31.823 0.177 0.000 1.021 251 V HN 0.376 nan 8.190 nan 0.000 0.480 252 L N 4.018 125.233 121.223 -0.012 0.000 2.313 252 L HA 0.576 4.916 4.340 0.000 0.000 0.283 252 L C -0.925 175.835 176.870 -0.183 0.000 1.013 252 L CA -0.647 54.102 54.840 -0.153 0.000 0.816 252 L CB 1.599 43.563 42.059 -0.158 0.000 1.236 252 L HN 0.574 nan 8.230 nan 0.000 0.419 253 L N 4.624 125.665 121.223 -0.304 0.000 2.342 253 L HA 0.522 4.862 4.340 0.000 0.000 0.276 253 L C -1.374 175.278 176.870 -0.364 0.000 0.997 253 L CA 0.135 54.843 54.840 -0.222 0.000 0.838 253 L CB 1.138 43.114 42.059 -0.139 0.000 1.224 253 L HN 0.236 nan 8.230 nan 0.000 0.416 254 F N 6.016 125.902 119.950 -0.106 0.000 2.405 254 F HA 0.511 5.038 4.527 0.000 0.000 0.355 254 F C 0.166 175.722 175.800 -0.407 0.000 1.121 254 F CA -0.291 57.590 58.000 -0.199 0.000 1.112 254 F CB 1.117 40.052 39.000 -0.107 0.000 1.126 254 F HN 0.273 nan 8.300 nan 0.000 0.481 255 I N 3.561 124.026 120.570 -0.175 0.000 2.354 255 I HA 0.225 4.395 4.170 0.000 0.000 0.286 255 I C -0.912 175.086 176.117 -0.198 0.000 1.007 255 I CA -0.351 60.803 61.300 -0.244 0.000 1.167 255 I CB 1.198 39.065 38.000 -0.222 0.000 1.320 255 I HN 0.439 nan 8.210 nan 0.000 0.458 256 D N 6.201 126.447 120.400 -0.258 0.000 2.471 256 D HA 0.279 4.919 4.640 0.000 0.000 0.245 256 D C -0.974 175.319 176.300 -0.012 0.000 1.116 256 D CA -0.402 53.547 54.000 -0.084 0.000 0.853 256 D CB 1.212 42.018 40.800 0.010 0.000 1.123 256 D HN 0.622 nan 8.370 nan 0.000 0.540 257 N N 1.884 120.606 118.700 0.037 0.000 2.328 257 N HA 0.259 4.999 4.740 0.000 0.000 0.299 257 N C 0.620 176.175 175.510 0.076 0.000 1.179 257 N CA -0.757 52.321 53.050 0.046 0.000 0.793 257 N CB 1.479 40.021 38.487 0.091 0.000 1.366 257 N HN 0.132 nan 8.380 nan 0.000 0.493 258 I N 0.473 121.069 120.570 0.043 0.000 2.454 258 I HA -0.055 4.115 4.170 0.000 0.000 0.254 258 I C 1.350 177.570 176.117 0.171 0.000 1.156 258 I CA 1.011 62.350 61.300 0.064 0.000 1.433 258 I CB -0.437 37.548 38.000 -0.025 0.000 1.082 258 I HN 0.735 nan 8.210 nan 0.000 0.432 259 F N 1.370 121.381 119.950 0.100 0.000 2.134 259 F HA -0.190 4.337 4.527 0.000 0.000 0.299 259 F C 2.463 178.348 175.800 0.141 0.000 1.097 259 F CA 1.594 59.684 58.000 0.150 0.000 1.264 259 F CB -0.324 38.821 39.000 0.242 0.000 1.001 259 F HN -0.081 nan 8.300 nan 0.000 0.479 260 R N -0.927 119.679 120.500 0.176 0.000 2.237 260 R HA -0.158 4.182 4.340 0.000 0.000 0.219 260 R C 2.026 178.340 176.300 0.024 0.000 1.080 260 R CA 1.277 57.419 56.100 0.071 0.000 0.995 260 R CB -0.655 29.723 30.300 0.129 0.000 0.875 260 R HN 0.437 nan 8.270 nan 0.000 0.462 261 F N 0.961 120.854 119.950 -0.094 0.000 2.219 261 F HA -0.047 4.480 4.527 0.000 0.000 0.294 261 F C 1.997 177.726 175.800 -0.118 0.000 1.086 261 F CA 1.195 59.142 58.000 -0.089 0.000 1.330 261 F CB -0.318 38.634 39.000 -0.080 0.000 1.047 261 F HN -0.216 nan 8.300 nan 0.000 0.495 262 T N 0.783 115.163 114.554 -0.291 0.000 2.684 262 T HA -0.203 4.147 4.350 0.000 0.000 0.267 262 T C 1.861 176.372 174.700 -0.315 0.000 1.036 262 T CA 1.661 63.541 62.100 -0.368 0.000 1.148 262 T CB -0.304 68.381 68.868 -0.305 0.000 0.863 262 T HN 0.251 nan 8.240 nan 0.000 0.436 263 Q N 0.687 120.267 119.800 -0.367 0.000 2.135 263 Q HA -0.001 4.339 4.340 0.000 0.000 0.204 263 Q C 2.633 178.538 176.000 -0.159 0.000 0.981 263 Q CA 1.540 57.199 55.803 -0.240 0.000 0.856 263 Q CB -0.679 27.930 28.738 -0.216 0.000 0.902 263 Q HN 0.597 nan 8.270 nan 0.000 0.425 264 A N 0.403 123.119 122.820 -0.173 0.000 1.969 264 A HA -0.007 4.313 4.320 0.000 0.000 0.218 264 A C 2.299 179.781 177.584 -0.169 0.000 1.169 264 A CA 1.496 53.455 52.037 -0.131 0.000 0.635 264 A CB -0.800 18.147 19.000 -0.089 0.000 0.810 264 A HN 0.432 nan 8.150 nan 0.000 0.445 265 G N -0.656 107.980 108.800 -0.274 0.000 2.433 265 G HA2 -0.164 3.796 3.960 0.000 0.000 0.216 265 G HA3 -0.164 3.796 3.960 0.000 0.000 0.216 265 G C 1.852 176.667 174.900 -0.141 0.000 1.186 265 G CA 1.242 46.183 45.100 -0.265 0.000 0.779 265 G HN 0.452 nan 8.290 nan 0.000 0.543 266 S N 0.715 116.350 115.700 -0.109 0.000 2.365 266 S HA -0.134 4.336 4.470 0.000 0.000 0.225 266 S C 2.271 176.831 174.600 -0.067 0.000 1.039 266 S CA 1.775 59.936 58.200 -0.065 0.000 1.033 266 S CB -0.275 62.883 63.200 -0.069 0.000 0.887 266 S HN 0.633 nan 8.310 nan 0.000 0.447 267 E N 0.324 120.481 120.200 -0.072 0.000 2.110 267 E HA -0.103 4.247 4.350 0.000 0.000 0.193 267 E C 2.101 178.675 176.600 -0.043 0.000 0.988 267 E CA 1.196 57.565 56.400 -0.052 0.000 0.804 267 E CB -0.239 29.434 29.700 -0.045 0.000 0.745 267 E HN 0.281 nan 8.360 nan 0.000 0.458 268 V N 1.053 120.936 119.914 -0.052 0.000 2.261 268 V HA -0.278 3.842 4.120 0.000 0.000 0.246 268 V C 2.481 178.557 176.094 -0.031 0.000 1.047 268 V CA 1.989 64.266 62.300 -0.038 0.000 1.015 268 V CB -0.565 31.232 31.823 -0.043 0.000 0.642 268 V HN 0.300 nan 8.190 nan 0.000 0.446 269 S N -0.076 115.601 115.700 -0.039 0.000 2.383 269 S HA -0.200 4.270 4.470 0.000 0.000 0.229 269 S C 2.105 176.692 174.600 -0.022 0.000 1.030 269 S CA 1.704 59.888 58.200 -0.027 0.000 1.002 269 S CB -0.345 62.837 63.200 -0.029 0.000 0.829 269 S HN 0.607 nan 8.310 nan 0.000 0.467 270 A N 1.579 124.383 122.820 -0.027 0.000 1.877 270 A HA 0.047 4.367 4.320 0.000 0.000 0.216 270 A C 2.185 179.759 177.584 -0.017 0.000 1.186 270 A CA 1.579 53.602 52.037 -0.024 0.000 0.620 270 A CB -0.865 18.116 19.000 -0.031 0.000 0.822 270 A HN 0.601 nan 8.150 nan 0.000 0.443 271 L N -0.680 120.533 121.223 -0.017 0.000 2.275 271 L HA -0.081 4.259 4.340 0.000 0.000 0.215 271 L C 2.052 178.918 176.870 -0.007 0.000 1.119 271 L CA 0.508 55.342 54.840 -0.011 0.000 0.790 271 L CB -0.485 41.568 42.059 -0.009 0.000 0.919 271 L HN 0.318 nan 8.230 nan 0.000 0.443 272 L N 0.140 121.359 121.223 -0.008 0.000 2.552 272 L HA 0.061 4.401 4.340 0.000 0.000 0.227 272 L C 1.312 178.180 176.870 -0.002 0.000 1.146 272 L CA 0.551 55.389 54.840 -0.003 0.000 0.858 272 L CB -0.551 41.506 42.059 -0.004 0.000 0.969 272 L HN 0.515 nan 8.230 nan 0.000 0.451 273 G N 0.918 109.715 108.800 -0.005 0.000 2.171 273 G HA2 -0.257 3.703 3.960 0.000 0.000 0.238 273 G HA3 -0.257 3.703 3.960 0.000 0.000 0.238 273 G C 0.081 174.979 174.900 -0.003 0.000 1.039 273 G CA -0.291 44.806 45.100 -0.004 0.000 0.759 273 G HN 0.376 nan 8.290 nan 0.000 0.501 274 R N -0.747 119.750 120.500 -0.005 0.000 2.486 274 R HA 0.621 4.961 4.340 0.000 0.000 0.286 274 R C 0.711 177.009 176.300 -0.003 0.000 0.999 274 R CA -0.953 55.145 56.100 -0.003 0.000 0.993 274 R CB 1.283 31.581 30.300 -0.004 0.000 1.084 274 R HN 0.264 nan 8.270 nan 0.000 0.487 275 I N 4.000 124.570 120.570 -0.000 0.000 2.517 275 I HA 0.078 4.248 4.170 0.000 0.000 0.285 275 I C -1.835 174.284 176.117 0.003 0.000 1.106 275 I CA -1.678 59.623 61.300 0.001 0.000 1.402 275 I CB 0.394 38.396 38.000 0.004 0.000 1.399 275 I HN 0.234 nan 8.210 nan 0.000 0.535 276 P HA 0.133 nan 4.420 nan 0.000 0.272 276 P C -0.511 176.800 177.300 0.018 0.000 1.230 276 P CA -0.317 62.784 63.100 0.002 0.000 0.788 276 P CB 0.741 32.430 31.700 -0.018 0.000 0.949 277 S N 0.378 116.102 115.700 0.041 0.000 2.623 277 S HA 0.703 5.173 4.470 0.000 0.000 0.287 277 S C 0.068 174.712 174.600 0.073 0.000 1.123 277 S CA -0.794 57.440 58.200 0.057 0.000 1.016 277 S CB -0.211 63.030 63.200 0.069 0.000 1.233 277 S HN 0.592 nan 8.310 nan 0.000 0.512 278 A N 0.317 123.191 122.820 0.090 0.000 2.613 278 A HA 0.339 4.659 4.320 0.000 0.000 0.230 278 A C 1.157 178.830 177.584 0.148 0.000 1.051 278 A CA 0.167 52.265 52.037 0.102 0.000 0.754 278 A CB -1.131 17.932 19.000 0.105 0.000 0.979 278 A HN 1.780 nan 8.150 nan 0.000 0.510 279 V N 1.054 121.031 119.914 0.105 0.000 3.078 279 V HA -0.340 3.780 4.120 0.000 0.000 0.168 279 V C 1.985 178.022 176.094 -0.095 0.000 0.466 279 V CA 1.973 64.321 62.300 0.080 0.000 1.138 279 V CB -2.521 29.450 31.823 0.248 0.000 1.308 279 V HN 2.952 nan 8.190 nan 0.000 1.101 280 G N -2.841 105.903 108.800 -0.093 0.000 2.241 280 G HA2 -0.332 3.629 3.960 0.000 0.000 0.244 280 G HA3 -0.332 3.629 3.960 0.000 0.000 0.244 280 G C -0.066 174.684 174.900 -0.250 0.000 0.998 280 G CA 0.220 45.202 45.100 -0.197 0.000 0.621 280 G HN 0.820 nan 8.290 nan 0.000 0.519 281 Y N 2.515 122.819 120.300 0.006 0.000 2.330 281 Y HA 0.412 4.962 4.550 0.000 0.000 0.341 281 Y C 1.443 177.328 175.900 -0.025 0.000 1.278 281 Y CA 0.012 58.101 58.100 -0.018 0.000 1.453 281 Y CB 0.353 38.804 38.460 -0.015 0.000 1.342 281 Y HN 0.422 nan 8.280 nan 0.000 0.590 282 Q N 1.943 121.811 119.800 0.114 0.000 2.386 282 Q HA 0.025 4.365 4.340 0.000 0.000 0.282 282 Q C -2.328 173.704 176.000 0.055 0.000 1.050 282 Q CA -1.389 54.442 55.803 0.046 0.000 0.918 282 Q CB 0.416 29.156 28.738 0.003 0.000 1.266 282 Q HN 0.384 nan 8.270 nan 0.000 0.423 283 P HA -0.134 nan 4.420 nan 0.000 0.216 283 P C 0.822 178.135 177.300 0.022 0.000 1.150 283 P CA 2.049 65.165 63.100 0.028 0.000 0.843 283 P CB -0.111 31.598 31.700 0.016 0.000 0.787 284 T N -3.494 111.067 114.554 0.012 0.000 3.366 284 T HA 0.143 4.493 4.350 0.000 0.000 0.249 284 T C 1.299 176.000 174.700 0.002 0.000 1.028 284 T CA -0.279 61.824 62.100 0.006 0.000 0.938 284 T CB -0.987 67.877 68.868 -0.006 0.000 1.046 284 T HN -0.110 nan 8.240 nan 0.000 0.587 285 L N 1.573 122.801 121.223 0.009 0.000 1.989 285 L HA 0.088 4.428 4.340 0.000 0.000 0.211 285 L C 2.692 179.563 176.870 0.003 0.000 1.071 285 L CA 2.167 57.002 54.840 -0.009 0.000 0.749 285 L CB -1.052 41.002 42.059 -0.009 0.000 0.890 285 L HN 0.355 nan 8.230 nan 0.000 0.431 286 A N -1.043 121.793 122.820 0.026 0.000 1.877 286 A HA -0.224 4.096 4.320 0.000 0.000 0.216 286 A C 2.386 180.010 177.584 0.066 0.000 1.186 286 A CA 2.563 54.635 52.037 0.058 0.000 0.620 286 A CB -1.448 17.587 19.000 0.060 0.000 0.822 286 A HN 0.659 nan 8.150 nan 0.000 0.443 287 T N -2.040 112.541 114.554 0.046 0.000 2.737 287 T HA -0.154 4.196 4.350 0.000 0.000 0.265 287 T C 1.399 176.128 174.700 0.048 0.000 1.038 287 T CA 1.542 63.670 62.100 0.046 0.000 1.144 287 T CB -0.634 68.254 68.868 0.032 0.000 0.866 287 T HN 0.334 nan 8.240 nan 0.000 0.434 288 D N 0.888 121.307 120.400 0.033 0.000 2.158 288 D HA -0.077 4.563 4.640 0.000 0.000 0.197 288 D C 1.903 178.286 176.300 0.138 0.000 0.995 288 D CA 1.171 55.199 54.000 0.046 0.000 0.846 288 D CB -0.425 40.344 40.800 -0.052 0.000 0.941 288 D HN 0.361 nan 8.370 nan 0.000 0.456 289 M N 0.077 119.734 119.600 0.096 0.000 2.156 289 M HA 0.081 4.561 4.480 0.000 0.000 0.264 289 M C 1.933 178.175 176.300 -0.096 0.000 1.067 289 M CA 1.674 57.017 55.300 0.071 0.000 1.131 289 M CB -0.478 32.132 32.600 0.017 0.000 1.368 289 M HN -0.018 nan 8.290 nan 0.000 0.416 290 G N -1.575 107.212 108.800 -0.021 0.000 2.464 290 G HA2 -0.134 3.826 3.960 0.000 0.000 0.217 290 G HA3 -0.134 3.826 3.960 0.000 0.000 0.217 290 G C 1.432 176.340 174.900 0.014 0.000 1.138 290 G CA 1.129 46.236 45.100 0.011 0.000 0.793 290 G HN 0.579 nan 8.290 nan 0.000 0.539 291 T N -1.650 112.923 114.554 0.032 0.000 2.867 291 T HA -0.030 4.320 4.350 0.000 0.000 0.268 291 T C 2.207 176.913 174.700 0.011 0.000 1.057 291 T CA 1.312 63.434 62.100 0.037 0.000 1.136 291 T CB -0.110 68.793 68.868 0.059 0.000 0.874 291 T HN 0.121 nan 8.240 nan 0.000 0.466 292 M N 0.391 119.983 119.600 -0.014 0.000 2.248 292 M HA 0.059 4.539 4.480 0.000 0.000 0.265 292 M C 2.047 178.254 176.300 -0.155 0.000 1.079 292 M CA 1.354 56.598 55.300 -0.094 0.000 1.150 292 M CB -0.679 31.813 32.600 -0.181 0.000 1.366 292 M HN 0.126 nan 8.290 nan 0.000 0.433 293 Q N 0.796 120.475 119.800 -0.202 0.000 2.167 293 Q HA -0.102 4.238 4.340 0.000 0.000 0.202 293 Q C 1.848 177.801 176.000 -0.078 0.000 0.970 293 Q CA 1.274 56.951 55.803 -0.211 0.000 0.855 293 Q CB -0.439 28.039 28.738 -0.433 0.000 0.911 293 Q HN 0.603 nan 8.270 nan 0.000 0.438 294 E N 0.549 120.733 120.200 -0.027 0.000 2.150 294 E HA -0.115 4.235 4.350 0.000 0.000 0.193 294 E C 1.856 178.450 176.600 -0.010 0.000 0.985 294 E CA 0.379 56.790 56.400 0.018 0.000 0.814 294 E CB -0.118 29.610 29.700 0.047 0.000 0.752 294 E HN 0.348 nan 8.360 nan 0.000 0.466 295 R N 0.464 120.947 120.500 -0.027 0.000 2.316 295 R HA -0.048 4.292 4.340 0.000 0.000 0.232 295 R C 0.866 177.137 176.300 -0.048 0.000 1.137 295 R CA 0.525 56.605 56.100 -0.035 0.000 1.012 295 R CB -0.243 30.031 30.300 -0.043 0.000 0.859 295 R HN 0.126 nan 8.270 nan 0.000 0.474 296 I N 2.067 122.602 120.570 -0.058 0.000 2.268 296 I HA 0.056 4.226 4.170 0.000 0.000 0.290 296 I C -0.028 176.058 176.117 -0.051 0.000 1.125 296 I CA -0.089 61.171 61.300 -0.068 0.000 1.236 296 I CB 0.576 38.517 38.000 -0.097 0.000 1.469 296 I HN 0.085 nan 8.210 nan 0.000 0.512 297 T N -0.391 114.135 114.554 -0.047 0.000 2.754 297 T HA 0.366 4.716 4.350 0.000 0.000 0.296 297 T C -0.197 174.474 174.700 -0.048 0.000 1.205 297 T CA -0.833 61.240 62.100 -0.046 0.000 1.009 297 T CB 1.569 70.412 68.868 -0.042 0.000 1.368 297 T HN 0.088 nan 8.240 nan 0.000 0.509 298 T N 2.724 117.247 114.554 -0.052 0.000 2.727 298 T HA 0.565 4.915 4.350 0.000 0.000 0.298 298 T C 0.730 175.398 174.700 -0.053 0.000 0.942 298 T CA -0.442 61.627 62.100 -0.052 0.000 0.997 298 T CB 0.286 69.121 68.868 -0.055 0.000 0.917 298 T HN 0.931 nan 8.240 nan 0.000 0.487 299 T N 0.770 115.297 114.554 -0.046 0.000 2.892 299 T HA 0.442 4.792 4.350 0.000 0.000 0.280 299 T C 1.313 175.988 174.700 -0.041 0.000 1.004 299 T CA -0.910 61.163 62.100 -0.044 0.000 0.950 299 T CB 1.114 69.961 68.868 -0.036 0.000 1.309 299 T HN 0.352 nan 8.240 nan 0.000 0.592 300 K N 0.057 120.435 120.400 -0.037 0.000 2.148 300 K HA 0.029 4.349 4.320 0.000 0.000 0.204 300 K C 2.180 178.763 176.600 -0.028 0.000 1.050 300 K CA 1.089 57.357 56.287 -0.032 0.000 0.942 300 K CB -0.044 32.440 32.500 -0.027 0.000 0.724 300 K HN 0.522 nan 8.250 nan 0.000 0.446 301 K N -0.427 119.955 120.400 -0.029 0.000 2.314 301 K HA 0.094 4.414 4.320 0.000 0.000 0.198 301 K C 1.032 177.616 176.600 -0.026 0.000 1.045 301 K CA 0.619 56.890 56.287 -0.028 0.000 0.988 301 K CB 0.748 33.230 32.500 -0.032 0.000 0.783 301 K HN 0.227 nan 8.250 nan 0.000 0.484 302 G N 0.476 109.258 108.800 -0.029 0.000 2.552 302 G HA2 0.205 4.166 3.960 0.000 0.000 0.137 302 G HA3 0.205 4.166 3.960 0.000 0.000 0.137 302 G C -1.489 173.390 174.900 -0.035 0.000 1.135 302 G CA -0.057 45.025 45.100 -0.029 0.000 1.047 302 G HN 0.169 nan 8.290 nan 0.000 0.501 303 S N -1.263 114.418 115.700 -0.032 0.000 2.586 303 S HA 0.634 5.104 4.470 0.000 0.000 0.277 303 S C -1.618 172.961 174.600 -0.035 0.000 1.131 303 S CA -0.731 57.445 58.200 -0.040 0.000 0.848 303 S CB 1.046 64.212 63.200 -0.056 0.000 1.091 303 S HN 1.073 nan 8.310 nan 0.000 0.453 304 I N 2.240 122.785 120.570 -0.043 0.000 2.378 304 I HA 0.464 4.634 4.170 0.000 0.000 0.291 304 I C -0.363 175.704 176.117 -0.085 0.000 0.992 304 I CA -0.508 60.761 61.300 -0.052 0.000 1.154 304 I CB 2.157 40.128 38.000 -0.048 0.000 1.315 304 I HN 0.685 nan 8.210 nan 0.000 0.448 305 T N 3.517 118.006 114.554 -0.110 0.000 2.797 305 T HA 0.330 4.680 4.350 0.000 0.000 0.279 305 T C -0.240 174.331 174.700 -0.216 0.000 0.991 305 T CA -0.597 61.418 62.100 -0.141 0.000 0.979 305 T CB 1.606 70.406 68.868 -0.113 0.000 0.943 305 T HN 0.464 nan 8.240 nan 0.000 0.444 306 S N 2.081 117.642 115.700 -0.233 0.000 2.498 306 S HA 0.535 5.005 4.470 0.000 0.000 0.317 306 S C -0.360 174.049 174.600 -0.318 0.000 1.090 306 S CA -0.606 57.426 58.200 -0.281 0.000 1.089 306 S CB 0.555 63.622 63.200 -0.222 0.000 0.997 306 S HN 0.516 nan 8.310 nan 0.000 0.470 307 V N 6.767 126.450 119.914 -0.386 0.000 2.333 307 V HA 0.421 4.541 4.120 0.000 0.000 0.274 307 V C -0.266 175.756 176.094 -0.120 0.000 1.028 307 V CA -0.485 61.658 62.300 -0.261 0.000 0.851 307 V CB 0.991 32.703 31.823 -0.185 0.000 1.000 307 V HN 0.870 nan 8.190 nan 0.000 0.456 308 Q N 4.234 123.945 119.800 -0.149 0.000 2.292 308 Q HA 0.809 5.149 4.340 0.000 0.000 0.270 308 Q C -0.537 175.369 176.000 -0.156 0.000 1.024 308 Q CA -0.761 54.959 55.803 -0.139 0.000 0.768 308 Q CB 2.175 30.804 28.738 -0.181 0.000 1.250 308 Q HN 0.658 nan 8.270 nan 0.000 0.447 309 A N 4.512 127.279 122.820 -0.089 0.000 2.488 309 A HA 0.413 4.733 4.320 0.000 0.000 0.249 309 A C -0.328 177.177 177.584 -0.132 0.000 1.083 309 A CA -0.167 51.815 52.037 -0.093 0.000 0.768 309 A CB 0.014 19.018 19.000 0.006 0.000 1.017 309 A HN 0.795 nan 8.150 nan 0.000 0.496 310 I N 2.504 122.916 120.570 -0.264 0.000 2.389 310 I HA 0.218 4.388 4.170 0.000 0.000 0.288 310 I C -0.795 175.311 176.117 -0.017 0.000 0.999 310 I CA -0.491 60.676 61.300 -0.220 0.000 1.129 310 I CB 1.483 39.105 38.000 -0.629 0.000 1.288 310 I HN 0.752 nan 8.210 nan 0.000 0.444 311 Y N 7.281 127.580 120.300 -0.001 0.000 2.326 311 Y HA 0.494 5.045 4.550 0.000 0.000 0.337 311 Y C -0.647 175.229 175.900 -0.040 0.000 1.023 311 Y CA -0.668 57.401 58.100 -0.052 0.000 1.143 311 Y CB 1.210 39.558 38.460 -0.186 0.000 1.183 311 Y HN 0.245 nan 8.280 nan 0.000 0.485 312 V N 9.603 129.162 119.914 -0.593 0.000 2.348 312 V HA 0.290 4.410 4.120 0.000 0.000 0.270 312 V C -2.129 173.478 176.094 -0.811 0.000 1.037 312 V CA -2.050 59.999 62.300 -0.418 0.000 0.872 312 V CB 0.539 32.306 31.823 -0.093 0.000 1.002 312 V HN 0.736 nan 8.190 nan 0.000 0.464 313 P HA 0.109 nan 4.420 nan 0.000 0.265 313 P C 0.659 177.878 177.300 -0.135 0.000 1.193 313 P CA 0.604 63.526 63.100 -0.297 0.000 0.765 313 P CB 0.606 32.370 31.700 0.106 0.000 0.823 314 A N 3.585 126.365 122.820 -0.065 0.000 2.774 314 A HA -0.281 4.039 4.320 0.000 0.000 0.290 314 A C 0.997 178.557 177.584 -0.042 0.000 1.484 314 A CA 1.432 53.460 52.037 -0.015 0.000 0.863 314 A CB -2.416 16.600 19.000 0.027 0.000 0.989 314 A HN 0.658 nan 8.150 nan 0.000 0.554 315 D N -2.170 118.167 120.400 -0.105 0.000 3.077 315 D HA -0.207 4.433 4.640 0.000 0.000 0.217 315 D C -0.147 176.125 176.300 -0.046 0.000 1.162 315 D CA 2.095 56.049 54.000 -0.077 0.000 0.943 315 D CB -1.324 39.452 40.800 -0.040 0.000 1.122 315 D HN 1.027 nan 8.370 nan 0.000 0.413 316 D N 0.272 120.653 120.400 -0.031 0.000 2.396 316 D HA 0.284 4.924 4.640 0.000 0.000 0.225 316 D C 1.472 177.783 176.300 0.018 0.000 1.121 316 D CA -0.435 53.565 54.000 -0.001 0.000 0.853 316 D CB 0.451 41.262 40.800 0.020 0.000 1.043 316 D HN 0.043 nan 8.370 nan 0.000 0.500 317 L N 2.597 123.818 121.223 -0.002 0.000 2.201 317 L HA -0.073 4.267 4.340 0.000 0.000 0.212 317 L C 2.248 179.121 176.870 0.006 0.000 1.105 317 L CA 1.367 56.210 54.840 0.004 0.000 0.775 317 L CB -0.442 41.551 42.059 -0.109 0.000 0.913 317 L HN 0.562 nan 8.230 nan 0.000 0.440 318 T N -4.075 110.477 114.554 -0.004 0.000 3.194 318 T HA -0.054 4.296 4.350 0.000 0.000 0.251 318 T C 0.453 175.183 174.700 0.049 0.000 1.132 318 T CA -0.362 61.743 62.100 0.009 0.000 1.028 318 T CB -0.601 68.264 68.868 -0.004 0.000 0.976 318 T HN 0.131 nan 8.240 nan 0.000 0.535 319 D N 2.345 122.793 120.400 0.079 0.000 2.425 319 D HA 0.175 4.815 4.640 0.000 0.000 0.247 319 D C -1.223 175.117 176.300 0.068 0.000 1.147 319 D CA -1.876 52.192 54.000 0.114 0.000 0.879 319 D CB 1.246 42.146 40.800 0.165 0.000 1.179 319 D HN -0.026 nan 8.370 nan 0.000 0.456 320 P HA -0.302 nan 4.420 nan 0.000 0.220 320 P C 0.806 177.959 177.300 -0.244 0.000 1.155 320 P CA 1.989 65.029 63.100 -0.101 0.000 0.880 320 P CB 0.007 31.638 31.700 -0.115 0.000 0.790 321 A N -0.024 122.543 122.820 -0.421 0.000 1.851 321 A HA -0.147 4.173 4.320 0.000 0.000 0.216 321 A C 0.055 177.644 177.584 0.009 0.000 1.195 321 A CA 2.596 54.452 52.037 -0.302 0.000 0.622 321 A CB -2.285 16.645 19.000 -0.118 0.000 0.831 321 A HN 0.238 nan 8.150 nan 0.000 0.444 322 P HA -0.074 nan 4.420 nan 0.000 0.216 322 P C 1.563 179.092 177.300 0.382 0.000 1.153 322 P CA 1.952 65.209 63.100 0.262 0.000 0.844 322 P CB -0.223 31.695 31.700 0.363 0.000 0.787 323 A N -0.428 122.553 122.820 0.268 0.000 1.969 323 A HA -0.116 4.204 4.320 0.000 0.000 0.218 323 A C 2.303 180.010 177.584 0.206 0.000 1.169 323 A CA 2.114 54.301 52.037 0.250 0.000 0.635 323 A CB -1.862 17.201 19.000 0.106 0.000 0.810 323 A HN 0.163 nan 8.150 nan 0.000 0.445 324 T N 0.026 114.651 114.554 0.119 0.000 2.674 324 T HA -0.128 4.222 4.350 0.000 0.000 0.265 324 T C 2.016 176.823 174.700 0.179 0.000 1.039 324 T CA 2.053 64.221 62.100 0.113 0.000 1.150 324 T CB -0.629 68.260 68.868 0.034 0.000 0.864 324 T HN 0.559 nan 8.240 nan 0.000 0.427 325 T N 1.644 116.271 114.554 0.123 0.000 2.803 325 T HA -0.060 4.290 4.350 0.000 0.000 0.269 325 T C 1.568 176.305 174.700 0.063 0.000 1.052 325 T CA 0.977 63.115 62.100 0.063 0.000 1.136 325 T CB -0.568 68.258 68.868 -0.071 0.000 0.864 325 T HN 0.300 nan 8.240 nan 0.000 0.467 326 F N 1.749 121.769 119.950 0.117 0.000 2.171 326 F HA 0.009 4.536 4.527 0.000 0.000 0.300 326 F C 2.640 178.473 175.800 0.054 0.000 1.090 326 F CA 0.656 58.713 58.000 0.094 0.000 1.293 326 F CB -0.731 38.314 39.000 0.075 0.000 1.013 326 F HN 0.131 nan 8.300 nan 0.000 0.486 327 A N -1.027 121.905 122.820 0.186 0.000 2.084 327 A HA -0.229 4.091 4.320 0.000 0.000 0.221 327 A C 1.723 179.187 177.584 -0.199 0.000 1.161 327 A CA 1.951 53.972 52.037 -0.025 0.000 0.653 327 A CB -0.858 18.068 19.000 -0.124 0.000 0.802 327 A HN 0.539 nan 8.150 nan 0.000 0.457 328 H N -1.839 117.249 119.070 0.031 0.000 2.827 328 H HA 0.324 4.880 4.556 0.000 0.000 0.269 328 H C 0.139 175.451 175.328 -0.027 0.000 1.031 328 H CA -0.253 55.791 56.048 -0.006 0.000 1.202 328 H CB 0.195 29.939 29.762 -0.030 0.000 1.511 328 H HN 0.333 nan 8.280 nan 0.000 0.517 329 L N 1.150 122.416 121.223 0.072 0.000 2.439 329 L HA 0.093 4.433 4.340 0.000 0.000 0.261 329 L C 0.892 177.782 176.870 0.035 0.000 1.153 329 L CA 0.117 54.968 54.840 0.019 0.000 0.808 329 L CB 0.899 42.953 42.059 -0.009 0.000 1.126 329 L HN 0.092 nan 8.230 nan 0.000 0.460 330 D N 0.294 120.698 120.400 0.007 0.000 2.473 330 D HA 0.298 4.938 4.640 0.000 0.000 0.242 330 D C 0.039 176.361 176.300 0.037 0.000 1.106 330 D CA 0.376 54.385 54.000 0.016 0.000 0.854 330 D CB 1.624 42.418 40.800 -0.011 0.000 1.192 330 D HN 0.544 nan 8.370 nan 0.000 0.503 331 A N 0.637 123.474 122.820 0.028 0.000 2.612 331 A HA 0.581 4.901 4.320 0.000 0.000 0.293 331 A C -0.893 176.733 177.584 0.071 0.000 1.075 331 A CA -0.550 51.525 52.037 0.063 0.000 0.680 331 A CB 1.706 20.751 19.000 0.076 0.000 1.279 331 A HN -0.049 nan 8.150 nan 0.000 0.411 332 T N -1.057 113.592 114.554 0.157 0.000 2.881 332 T HA 0.691 5.041 4.350 0.000 0.000 0.290 332 T C -0.653 174.200 174.700 0.255 0.000 1.000 332 T CA -0.402 61.847 62.100 0.249 0.000 0.978 332 T CB 1.408 70.513 68.868 0.395 0.000 0.997 332 T HN 0.638 nan 8.240 nan 0.000 0.443 333 T N 3.373 118.081 114.554 0.258 0.000 2.753 333 T HA 0.466 4.816 4.350 0.000 0.000 0.297 333 T C 0.061 174.930 174.700 0.282 0.000 0.981 333 T CA -0.541 61.725 62.100 0.277 0.000 0.956 333 T CB 0.677 69.737 68.868 0.321 0.000 0.936 333 T HN 0.662 nan 8.240 nan 0.000 0.463 334 V N 5.867 125.931 119.914 0.251 0.000 2.368 334 V HA 0.315 4.435 4.120 0.000 0.000 0.266 334 V C 0.230 176.433 176.094 0.182 0.000 1.045 334 V CA -0.705 61.736 62.300 0.236 0.000 0.899 334 V CB 0.424 32.343 31.823 0.160 0.000 1.006 334 V HN 0.755 nan 8.190 nan 0.000 0.470 335 L N 4.519 125.852 121.223 0.184 0.000 2.276 335 L HA 0.542 4.882 4.340 0.000 0.000 0.286 335 L C 0.398 177.344 176.870 0.127 0.000 1.061 335 L CA 0.236 55.167 54.840 0.152 0.000 0.807 335 L CB 1.650 43.801 42.059 0.153 0.000 1.177 335 L HN 0.721 nan 8.230 nan 0.000 0.429 336 S N 3.174 118.937 115.700 0.105 0.000 2.532 336 S HA 0.389 4.859 4.470 0.000 0.000 0.299 336 S C 0.827 175.471 174.600 0.074 0.000 1.105 336 S CA -0.759 57.490 58.200 0.083 0.000 1.018 336 S CB 1.748 64.987 63.200 0.065 0.000 1.021 336 S HN 0.693 nan 8.310 nan 0.000 0.483 337 R N 2.544 123.084 120.500 0.067 0.000 2.105 337 R HA -0.100 4.240 4.340 0.000 0.000 0.239 337 R C 2.428 178.754 176.300 0.042 0.000 1.135 337 R CA 1.683 57.818 56.100 0.060 0.000 0.967 337 R CB -0.638 29.694 30.300 0.053 0.000 0.861 337 R HN 0.804 nan 8.270 nan 0.000 0.442 338 A N 1.497 124.337 122.820 0.032 0.000 1.873 338 A HA -0.192 4.128 4.320 0.000 0.000 0.218 338 A C 2.085 179.674 177.584 0.009 0.000 1.193 338 A CA 1.458 53.505 52.037 0.017 0.000 0.629 338 A CB -0.536 18.472 19.000 0.013 0.000 0.826 338 A HN 0.164 nan 8.150 nan 0.000 0.447 339 I N -0.353 120.227 120.570 0.016 0.000 2.394 339 I HA -0.235 3.935 4.170 0.000 0.000 0.251 339 I C 2.941 179.037 176.117 -0.035 0.000 1.136 339 I CA 1.288 62.587 61.300 -0.002 0.000 1.425 339 I CB -1.269 36.743 38.000 0.021 0.000 1.079 339 I HN 0.396 nan 8.210 nan 0.000 0.425 340 A N 0.999 123.828 122.820 0.015 0.000 1.883 340 A HA -0.225 4.095 4.320 0.000 0.000 0.217 340 A C 2.190 179.760 177.584 -0.023 0.000 1.186 340 A CA 1.619 53.681 52.037 0.042 0.000 0.624 340 A CB -0.710 18.380 19.000 0.150 0.000 0.822 340 A HN 0.443 nan 8.150 nan 0.000 0.444 341 E N -0.384 119.818 120.200 0.004 0.000 2.267 341 E HA -0.139 4.211 4.350 0.000 0.000 0.197 341 E C 1.225 177.798 176.600 -0.045 0.000 0.998 341 E CA 0.830 57.227 56.400 -0.004 0.000 0.830 341 E CB -0.254 29.448 29.700 0.004 0.000 0.751 341 E HN 0.633 nan 8.360 nan 0.000 0.491 342 L N -0.479 120.697 121.223 -0.078 0.000 2.611 342 L HA 0.162 4.502 4.340 0.000 0.000 0.229 342 L C 1.348 178.113 176.870 -0.175 0.000 1.137 342 L CA 0.225 55.006 54.840 -0.098 0.000 0.901 342 L CB -0.013 42.007 42.059 -0.066 0.000 1.098 342 L HN 0.239 nan 8.230 nan 0.000 0.456 343 G N 1.034 109.671 108.800 -0.271 0.000 2.168 343 G HA2 -0.312 3.648 3.960 0.000 0.000 0.263 343 G HA3 -0.312 3.648 3.960 0.000 0.000 0.263 343 G C 0.339 174.777 174.900 -0.769 0.000 0.977 343 G CA -0.075 44.724 45.100 -0.502 0.000 0.659 343 G HN 0.352 nan 8.290 nan 0.000 0.533 344 I N 0.943 121.217 120.570 -0.492 0.000 2.436 344 I HA 0.315 4.485 4.170 0.000 0.000 0.289 344 I C -0.146 175.730 176.117 -0.401 0.000 1.083 344 I CA -0.255 60.880 61.300 -0.276 0.000 1.372 344 I CB 0.215 38.166 38.000 -0.080 0.000 1.408 344 I HN 0.040 nan 8.210 nan 0.000 0.516 345 Y N 7.750 128.037 120.300 -0.022 0.000 2.361 345 Y HA 0.423 4.973 4.550 0.000 0.000 0.337 345 Y C -2.245 173.490 175.900 -0.275 0.000 0.965 345 Y CA -3.486 54.516 58.100 -0.162 0.000 1.091 345 Y CB 1.133 39.464 38.460 -0.215 0.000 1.182 345 Y HN 0.398 nan 8.280 nan 0.000 0.450 346 P HA 0.148 nan 4.420 nan 0.000 0.274 346 P C -0.141 177.215 177.300 0.094 0.000 1.231 346 P CA -0.345 62.743 63.100 -0.019 0.000 0.790 346 P CB 1.047 32.818 31.700 0.119 0.000 0.951 347 A N 2.609 125.517 122.820 0.147 0.000 2.810 347 A HA 0.169 4.490 4.320 0.000 0.000 0.247 347 A C 0.434 178.085 177.584 0.110 0.000 1.576 347 A CA -0.101 52.008 52.037 0.119 0.000 1.294 347 A CB -1.317 17.773 19.000 0.150 0.000 0.976 347 A HN 0.360 nan 8.150 nan 0.000 0.631 348 V N 1.574 121.553 119.914 0.107 0.000 2.432 348 V HA 0.055 4.175 4.120 0.000 0.000 0.271 348 V C 0.300 176.445 176.094 0.085 0.000 1.046 348 V CA -0.577 61.791 62.300 0.113 0.000 0.945 348 V CB 1.190 33.088 31.823 0.125 0.000 0.992 348 V HN 0.595 nan 8.190 nan 0.000 0.471 349 D N 8.800 129.251 120.400 0.085 0.000 2.346 349 D HA 0.111 4.751 4.640 0.000 0.000 0.260 349 D C -1.291 175.044 176.300 0.058 0.000 1.252 349 D CA -1.531 52.508 54.000 0.064 0.000 0.895 349 D CB 1.920 42.755 40.800 0.059 0.000 1.097 349 D HN 0.294 nan 8.370 nan 0.000 0.489 350 P HA -0.069 nan 4.420 nan 0.000 0.226 350 P C 1.456 178.770 177.300 0.023 0.000 1.153 350 P CA 0.554 63.671 63.100 0.029 0.000 0.777 350 P CB 0.492 32.205 31.700 0.020 0.000 0.794 351 L N -1.131 120.107 121.223 0.025 0.000 2.408 351 L HA 0.096 4.436 4.340 0.000 0.000 0.215 351 L C 1.875 178.754 176.870 0.015 0.000 1.081 351 L CA 0.747 55.596 54.840 0.016 0.000 0.840 351 L CB -0.488 41.578 42.059 0.012 0.000 1.002 351 L HN -0.132 nan 8.230 nan 0.000 0.468 352 D N -0.091 120.322 120.400 0.023 0.000 2.201 352 D HA 0.001 4.641 4.640 0.000 0.000 0.209 352 D C 0.894 177.218 176.300 0.040 0.000 0.961 352 D CA 0.452 54.462 54.000 0.017 0.000 0.861 352 D CB 0.133 40.941 40.800 0.013 0.000 0.997 352 D HN -0.017 nan 8.370 nan 0.000 0.486 353 S N 0.610 116.353 115.700 0.072 0.000 2.546 353 S HA 0.246 4.716 4.470 0.000 0.000 0.290 353 S C 0.625 175.278 174.600 0.090 0.000 1.290 353 S CA 0.101 58.367 58.200 0.110 0.000 1.069 353 S CB 0.511 63.789 63.200 0.131 0.000 0.846 353 S HN 0.345 nan 8.310 nan 0.000 0.495 354 T N -0.327 114.290 114.554 0.106 0.000 2.864 354 T HA 0.799 5.149 4.350 0.000 0.000 0.289 354 T C -0.563 174.199 174.700 0.103 0.000 1.082 354 T CA -0.888 61.264 62.100 0.086 0.000 1.009 354 T CB 1.948 70.857 68.868 0.067 0.000 1.234 354 T HN 0.427 nan 8.240 nan 0.000 0.526 355 S N -1.456 114.293 115.700 0.081 0.000 2.543 355 S HA 0.405 4.875 4.470 0.000 0.000 0.271 355 S C 0.652 175.284 174.600 0.054 0.000 1.148 355 S CA -0.834 57.413 58.200 0.078 0.000 0.914 355 S CB 1.663 64.914 63.200 0.084 0.000 1.096 355 S HN 0.777 nan 8.310 nan 0.000 0.471 356 R N 2.133 122.660 120.500 0.045 0.000 2.066 356 R HA 0.047 4.387 4.340 0.000 0.000 0.232 356 R C 1.801 178.108 176.300 0.013 0.000 1.131 356 R CA 1.809 57.926 56.100 0.028 0.000 0.955 356 R CB -0.628 29.685 30.300 0.021 0.000 0.851 356 R HN 0.825 nan 8.270 nan 0.000 0.432 357 I N -0.883 119.691 120.570 0.007 0.000 3.493 357 I HA 0.001 4.171 4.170 0.000 0.000 0.311 357 I C 0.700 176.799 176.117 -0.030 0.000 1.210 357 I CA 0.468 61.760 61.300 -0.014 0.000 1.210 357 I CB -0.075 37.919 38.000 -0.011 0.000 0.993 357 I HN 0.023 nan 8.210 nan 0.000 0.539 358 M N 2.290 121.890 119.600 -0.000 0.000 3.533 358 M HA 0.302 4.782 4.480 0.000 0.000 0.217 358 M C -0.799 175.558 176.300 0.095 0.000 1.269 358 M CA 0.103 55.420 55.300 0.028 0.000 1.435 358 M CB -1.323 31.313 32.600 0.061 0.000 1.105 358 M HN 0.338 nan 8.290 nan 0.000 0.555 359 D N -0.244 120.134 120.400 -0.036 0.000 2.498 359 D HA 0.435 5.075 4.640 0.000 0.000 0.247 359 D C -1.901 174.247 176.300 -0.253 0.000 1.070 359 D CA -1.676 52.203 54.000 -0.201 0.000 0.842 359 D CB 2.380 43.090 40.800 -0.149 0.000 1.361 359 D HN 0.010 nan 8.370 nan 0.000 0.484 360 P HA -0.135 nan 4.420 nan 0.000 0.217 360 P C 0.372 177.586 177.300 -0.143 0.000 1.148 360 P CA 1.059 63.985 63.100 -0.289 0.000 0.828 360 P CB 0.158 31.631 31.700 -0.379 0.000 0.783 361 N N -1.437 117.170 118.700 -0.155 0.000 2.573 361 N HA -0.034 4.706 4.740 0.000 0.000 0.187 361 N C 1.457 176.929 175.510 -0.063 0.000 1.107 361 N CA 0.831 53.826 53.050 -0.092 0.000 0.918 361 N CB -0.392 38.042 38.487 -0.088 0.000 0.966 361 N HN 0.278 nan 8.380 nan 0.000 0.448 362 I N -1.758 118.772 120.570 -0.067 0.000 3.873 362 I HA 0.006 4.176 4.170 0.000 0.000 0.284 362 I C 1.117 177.216 176.117 -0.029 0.000 1.186 362 I CA 0.229 61.503 61.300 -0.044 0.000 1.362 362 I CB 0.399 38.369 38.000 -0.050 0.000 1.432 362 I HN -0.064 nan 8.210 nan 0.000 0.454 363 V N -1.106 118.780 119.914 -0.045 0.000 3.621 363 V HA 0.627 4.747 4.120 0.000 0.000 0.285 363 V C 0.753 176.886 176.094 0.064 0.000 1.346 363 V CA 0.062 62.346 62.300 -0.027 0.000 1.104 363 V CB -0.796 30.873 31.823 -0.258 0.000 0.913 363 V HN 0.463 nan 8.190 nan 0.000 0.432 364 G N 0.181 109.004 108.800 0.038 0.000 2.712 364 G HA2 -0.155 3.805 3.960 0.000 0.000 0.686 364 G HA3 -0.155 3.805 3.960 0.000 0.000 0.686 364 G C 0.272 175.234 174.900 0.103 0.000 1.321 364 G CA 0.003 45.143 45.100 0.067 0.000 0.813 364 G HN 0.380 nan 8.290 nan 0.000 0.599 365 S N -0.747 115.006 115.700 0.088 0.000 2.402 365 S HA -0.068 4.402 4.470 0.000 0.000 0.229 365 S C 1.966 176.675 174.600 0.181 0.000 1.021 365 S CA 1.967 60.243 58.200 0.126 0.000 0.974 365 S CB -0.176 63.071 63.200 0.078 0.000 0.800 365 S HN 0.701 nan 8.310 nan 0.000 0.484 366 E N 0.204 120.493 120.200 0.149 0.000 2.006 366 E HA -0.241 4.109 4.350 0.000 0.000 0.192 366 E C 1.907 178.623 176.600 0.193 0.000 0.993 366 E CA 1.398 57.883 56.400 0.142 0.000 0.808 366 E CB -0.465 29.299 29.700 0.107 0.000 0.764 366 E HN 0.754 nan 8.360 nan 0.000 0.449 367 H N -1.407 117.717 119.070 0.090 0.000 2.357 367 H HA -0.256 4.300 4.556 0.000 0.000 0.296 367 H C 2.157 177.539 175.328 0.091 0.000 1.108 367 H CA 1.861 57.955 56.048 0.078 0.000 1.273 367 H CB -0.143 29.663 29.762 0.073 0.000 1.367 367 H HN 0.310 nan 8.280 nan 0.000 0.498 368 Y N 1.759 122.145 120.300 0.144 0.000 2.070 368 Y HA -0.264 4.286 4.550 0.000 0.000 0.280 368 Y C 2.179 178.119 175.900 0.066 0.000 1.148 368 Y CA 2.043 60.172 58.100 0.048 0.000 1.125 368 Y CB -0.500 37.966 38.460 0.009 0.000 0.975 368 Y HN 0.332 nan 8.280 nan 0.000 0.492 369 D N -0.454 119.982 120.400 0.059 0.000 2.123 369 D HA -0.184 4.456 4.640 0.000 0.000 0.196 369 D C 2.403 178.680 176.300 -0.038 0.000 0.992 369 D CA 1.814 55.798 54.000 -0.027 0.000 0.833 369 D CB -0.605 40.239 40.800 0.073 0.000 0.954 369 D HN 0.349 nan 8.370 nan 0.000 0.455 370 V N 1.842 121.773 119.914 0.028 0.000 2.237 370 V HA -0.245 3.875 4.120 0.000 0.000 0.245 370 V C 2.692 178.779 176.094 -0.012 0.000 1.046 370 V CA 1.870 64.191 62.300 0.035 0.000 1.007 370 V CB -1.114 30.747 31.823 0.065 0.000 0.638 370 V HN 0.184 nan 8.190 nan 0.000 0.445 371 A N 0.248 123.061 122.820 -0.013 0.000 1.884 371 A HA -0.283 4.037 4.320 0.000 0.000 0.219 371 A C 2.353 179.862 177.584 -0.124 0.000 1.197 371 A CA 2.191 54.192 52.037 -0.060 0.000 0.637 371 A CB -0.588 18.402 19.000 -0.016 0.000 0.827 371 A HN 0.421 nan 8.150 nan 0.000 0.450 372 R N -0.819 119.546 120.500 -0.224 0.000 2.081 372 R HA -0.120 4.220 4.340 0.000 0.000 0.235 372 R C 2.407 178.642 176.300 -0.108 0.000 1.131 372 R CA 1.376 57.342 56.100 -0.224 0.000 0.960 372 R CB -1.555 28.529 30.300 -0.361 0.000 0.856 372 R HN 0.572 nan 8.270 nan 0.000 0.436 373 G N 0.359 109.116 108.800 -0.072 0.000 2.421 373 G HA2 -0.201 3.759 3.960 0.000 0.000 0.216 373 G HA3 -0.201 3.759 3.960 0.000 0.000 0.216 373 G C 1.606 176.507 174.900 0.001 0.000 1.171 373 G CA 0.801 45.889 45.100 -0.020 0.000 0.775 373 G HN 0.176 nan 8.290 nan 0.000 0.543 374 V N 0.612 120.527 119.914 0.002 0.000 2.295 374 V HA -0.249 3.871 4.120 0.000 0.000 0.246 374 V C 2.940 179.036 176.094 0.004 0.000 1.049 374 V CA 2.296 64.608 62.300 0.021 0.000 1.024 374 V CB -0.628 31.189 31.823 -0.011 0.000 0.648 374 V HN 0.443 nan 8.190 nan 0.000 0.447 375 Q N -0.291 119.493 119.800 -0.026 0.000 2.096 375 Q HA -0.288 4.052 4.340 0.000 0.000 0.204 375 Q C 2.326 178.325 176.000 -0.001 0.000 0.982 375 Q CA 2.017 57.809 55.803 -0.018 0.000 0.850 375 Q CB -0.234 28.481 28.738 -0.039 0.000 0.901 375 Q HN 0.590 nan 8.270 nan 0.000 0.422 376 K N 0.880 121.275 120.400 -0.008 0.000 2.001 376 K HA -0.156 4.165 4.320 0.000 0.000 0.208 376 K C 1.998 178.613 176.600 0.026 0.000 1.048 376 K CA 1.033 57.322 56.287 0.004 0.000 0.932 376 K CB -0.197 32.300 32.500 -0.005 0.000 0.715 376 K HN 0.114 nan 8.250 nan 0.000 0.437 377 I N 1.112 121.699 120.570 0.028 0.000 2.248 377 I HA -0.283 3.887 4.170 0.000 0.000 0.248 377 I C 1.735 177.897 176.117 0.075 0.000 1.107 377 I CA 1.301 62.625 61.300 0.040 0.000 1.373 377 I CB 0.074 38.090 38.000 0.027 0.000 1.055 377 I HN 0.240 nan 8.210 nan 0.000 0.418 378 L N -0.542 120.727 121.223 0.077 0.000 2.156 378 L HA -0.171 4.169 4.340 0.000 0.000 0.208 378 L C 2.463 179.396 176.870 0.106 0.000 1.095 378 L CA 1.061 55.971 54.840 0.116 0.000 0.770 378 L CB -0.526 41.585 42.059 0.087 0.000 0.914 378 L HN 0.306 nan 8.230 nan 0.000 0.439 379 Q N -0.140 119.697 119.800 0.062 0.000 2.123 379 Q HA -0.177 4.163 4.340 0.000 0.000 0.199 379 Q C 1.695 177.722 176.000 0.045 0.000 0.966 379 Q CA 1.471 57.297 55.803 0.038 0.000 0.845 379 Q CB 0.011 28.760 28.738 0.019 0.000 0.907 379 Q HN 0.441 nan 8.270 nan 0.000 0.439 380 D N -0.070 120.369 120.400 0.064 0.000 2.084 380 D HA -0.190 4.450 4.640 0.000 0.000 0.194 380 D C 1.511 177.878 176.300 0.112 0.000 0.990 380 D CA 0.983 55.025 54.000 0.070 0.000 0.826 380 D CB -0.425 40.414 40.800 0.065 0.000 0.971 380 D HN 0.173 nan 8.370 nan 0.000 0.453 381 Y N 1.934 122.234 120.300 -0.000 0.000 2.040 381 Y HA -0.303 4.247 4.550 0.000 0.000 0.275 381 Y C 2.174 178.073 175.900 -0.002 0.000 1.171 381 Y CA 1.805 59.905 58.100 -0.001 0.000 1.123 381 Y CB -0.525 37.935 38.460 0.000 0.000 0.963 381 Y HN -0.150 nan 8.280 nan 0.000 0.493 382 K N -0.410 119.912 120.400 -0.129 0.000 2.077 382 K HA -0.234 4.086 4.320 0.000 0.000 0.213 382 K C 2.154 178.659 176.600 -0.159 0.000 1.051 382 K CA 2.257 58.416 56.287 -0.213 0.000 0.929 382 K CB -0.308 32.142 32.500 -0.084 0.000 0.715 382 K HN 0.408 nan 8.250 nan 0.000 0.451 383 S N 1.162 116.819 115.700 -0.072 0.000 2.368 383 S HA -0.095 4.375 4.470 0.000 0.000 0.224 383 S C 1.883 176.453 174.600 -0.050 0.000 1.029 383 S CA 1.132 59.304 58.200 -0.047 0.000 0.988 383 S CB -0.247 62.944 63.200 -0.014 0.000 0.838 383 S HN 0.272 nan 8.310 nan 0.000 0.462 384 L N 1.663 122.865 121.223 -0.034 0.000 2.127 384 L HA -0.209 4.131 4.340 0.000 0.000 0.211 384 L C 2.824 179.663 176.870 -0.051 0.000 1.089 384 L CA 1.214 56.049 54.840 -0.010 0.000 0.757 384 L CB -0.706 41.394 42.059 0.068 0.000 0.899 384 L HN 0.454 nan 8.230 nan 0.000 0.434 385 Q N 0.605 120.320 119.800 -0.141 0.000 2.103 385 Q HA -0.320 4.020 4.340 0.000 0.000 0.213 385 Q C 1.695 177.651 176.000 -0.074 0.000 1.008 385 Q CA 2.547 58.260 55.803 -0.150 0.000 0.879 385 Q CB -0.109 28.505 28.738 -0.207 0.000 0.946 385 Q HN 0.547 nan 8.270 nan 0.000 0.413 386 D N -0.209 120.154 120.400 -0.062 0.000 2.137 386 D HA -0.214 4.426 4.640 0.000 0.000 0.189 386 D C 2.014 178.300 176.300 -0.023 0.000 0.998 386 D CA 1.885 55.862 54.000 -0.038 0.000 0.839 386 D CB -0.309 40.472 40.800 -0.032 0.000 0.962 386 D HN 0.314 nan 8.370 nan 0.000 0.446 387 I N 1.594 122.155 120.570 -0.016 0.000 2.127 387 I HA -0.258 3.912 4.170 0.000 0.000 0.241 387 I C 2.435 178.552 176.117 -0.000 0.000 1.075 387 I CA 0.704 62.001 61.300 -0.005 0.000 1.334 387 I CB -0.443 37.558 38.000 0.002 0.000 1.040 387 I HN 0.047 nan 8.210 nan 0.000 0.405 388 I N 0.829 121.401 120.570 0.003 0.000 2.143 388 I HA -0.379 3.792 4.170 0.000 0.000 0.245 388 I C 2.630 178.750 176.117 0.006 0.000 1.068 388 I CA 2.165 63.473 61.300 0.013 0.000 1.326 388 I CB -1.893 36.122 38.000 0.025 0.000 1.028 388 I HN 0.276 nan 8.210 nan 0.000 0.412 389 A N 0.679 123.496 122.820 -0.006 0.000 1.854 389 A HA -0.073 4.247 4.320 0.000 0.000 0.214 389 A C 2.238 179.819 177.584 -0.004 0.000 1.192 389 A CA 1.061 53.094 52.037 -0.006 0.000 0.611 389 A CB -0.369 18.622 19.000 -0.015 0.000 0.832 389 A HN 0.247 nan 8.150 nan 0.000 0.442 390 I N 0.058 120.624 120.570 -0.006 0.000 2.201 390 I HA -0.080 4.090 4.170 0.000 0.000 0.233 390 I C 2.198 178.314 176.117 -0.002 0.000 1.067 390 I CA 1.022 62.319 61.300 -0.005 0.000 1.354 390 I CB -1.673 36.323 38.000 -0.007 0.000 1.108 390 I HN 0.211 nan 8.210 nan 0.000 0.411 391 L N 1.002 122.225 121.223 -0.001 0.000 2.633 391 L HA 0.110 4.450 4.340 0.000 0.000 0.235 391 L C 0.809 177.682 176.870 0.004 0.000 1.163 391 L CA 0.342 55.183 54.840 0.002 0.000 0.859 391 L CB -1.392 40.668 42.059 0.002 0.000 0.973 391 L HN 0.547 nan 8.230 nan 0.000 0.451 392 G N 0.729 109.532 108.800 0.005 0.000 2.981 392 G HA2 -0.314 3.646 3.960 0.000 0.000 0.686 392 G HA3 -0.314 3.646 3.960 0.000 0.000 0.686 392 G C -0.253 174.655 174.900 0.012 0.000 1.068 392 G CA -0.302 44.802 45.100 0.008 0.000 0.806 392 G HN 0.185 nan 8.290 nan 0.000 0.568 393 M N 1.760 121.370 119.600 0.016 0.000 3.759 393 M HA 0.225 4.705 4.480 0.000 0.000 0.190 393 M C 0.327 176.638 176.300 0.019 0.000 1.478 393 M CA 0.340 55.654 55.300 0.023 0.000 1.691 393 M CB -0.344 32.275 32.600 0.032 0.000 1.113 393 M HN 0.555 nan 8.290 nan 0.000 0.542 394 D N -0.341 120.068 120.400 0.015 0.000 2.449 394 D HA 0.042 4.682 4.640 0.000 0.000 0.255 394 D C 0.444 176.751 176.300 0.011 0.000 1.121 394 D CA 0.064 54.071 54.000 0.012 0.000 0.830 394 D CB 0.500 41.306 40.800 0.009 0.000 1.280 394 D HN 0.388 nan 8.370 nan 0.000 0.522 395 E N 1.141 121.348 120.200 0.012 0.000 2.609 395 E HA 0.225 4.575 4.350 0.000 0.000 0.208 395 E C -0.184 176.423 176.600 0.013 0.000 1.013 395 E CA -0.227 56.179 56.400 0.011 0.000 1.093 395 E CB 0.203 29.908 29.700 0.009 0.000 1.129 395 E HN 0.284 nan 8.360 nan 0.000 0.450 396 L N 2.033 123.266 121.223 0.016 0.000 2.313 396 L HA 0.180 4.520 4.340 0.000 0.000 0.282 396 L C 1.065 177.944 176.870 0.015 0.000 1.092 396 L CA -0.380 54.471 54.840 0.018 0.000 0.831 396 L CB 0.778 42.852 42.059 0.025 0.000 1.159 396 L HN 0.040 nan 8.230 nan 0.000 0.442 397 S N 1.631 117.339 115.700 0.014 0.000 2.587 397 S HA 0.037 4.507 4.470 0.000 0.000 0.260 397 S C 0.994 175.600 174.600 0.011 0.000 1.353 397 S CA -0.484 57.723 58.200 0.011 0.000 0.995 397 S CB 0.837 64.043 63.200 0.010 0.000 0.912 397 S HN 0.703 nan 8.310 nan 0.000 0.568 398 E N 1.151 121.356 120.200 0.008 0.000 2.065 398 E HA -0.263 4.087 4.350 0.000 0.000 0.201 398 E C 2.021 178.625 176.600 0.007 0.000 1.016 398 E CA 2.062 58.467 56.400 0.007 0.000 0.818 398 E CB -0.386 29.318 29.700 0.006 0.000 0.749 398 E HN 0.818 nan 8.360 nan 0.000 0.453 399 E N 0.649 120.854 120.200 0.008 0.000 2.153 399 E HA -0.192 4.158 4.350 0.000 0.000 0.194 399 E C 1.657 178.264 176.600 0.012 0.000 0.988 399 E CA 1.163 57.568 56.400 0.009 0.000 0.811 399 E CB -0.050 29.655 29.700 0.010 0.000 0.746 399 E HN 0.276 nan 8.360 nan 0.000 0.466 400 D N 0.733 121.142 120.400 0.015 0.000 2.123 400 D HA -0.075 4.565 4.640 0.000 0.000 0.200 400 D C 1.653 177.967 176.300 0.022 0.000 0.976 400 D CA 0.991 55.005 54.000 0.024 0.000 0.831 400 D CB -0.032 40.784 40.800 0.026 0.000 0.974 400 D HN 0.097 nan 8.370 nan 0.000 0.469 401 K N -0.004 120.404 120.400 0.014 0.000 2.155 401 K HA -0.015 4.305 4.320 0.000 0.000 0.203 401 K C 1.986 178.580 176.600 -0.009 0.000 1.052 401 K CA 0.291 56.582 56.287 0.008 0.000 0.948 401 K CB 0.041 32.546 32.500 0.008 0.000 0.728 401 K HN 0.008 nan 8.250 nan 0.000 0.448 402 L N 1.274 122.493 121.223 -0.008 0.000 2.017 402 L HA -0.207 4.133 4.340 0.000 0.000 0.208 402 L C 2.677 179.523 176.870 -0.039 0.000 1.073 402 L CA 2.008 56.837 54.840 -0.019 0.000 0.745 402 L CB -1.122 40.931 42.059 -0.009 0.000 0.894 402 L HN 0.362 nan 8.230 nan 0.000 0.432 403 T N -3.668 110.870 114.554 -0.026 0.000 2.635 403 T HA -0.242 4.108 4.350 0.000 0.000 0.267 403 T C 1.880 176.512 174.700 -0.113 0.000 1.040 403 T CA 1.788 63.867 62.100 -0.035 0.000 1.156 403 T CB -1.163 67.714 68.868 0.014 0.000 0.863 403 T HN 0.083 nan 8.240 nan 0.000 0.430 404 V N 2.686 122.541 119.914 -0.099 0.000 2.332 404 V HA -0.198 3.922 4.120 0.000 0.000 0.248 404 V C 3.203 179.097 176.094 -0.332 0.000 1.055 404 V CA 2.196 64.347 62.300 -0.248 0.000 1.038 404 V CB -1.068 30.744 31.823 -0.017 0.000 0.651 404 V HN 0.815 nan 8.190 nan 0.000 0.450 405 S N 0.160 115.758 115.700 -0.170 0.000 2.357 405 S HA -0.168 4.302 4.470 0.000 0.000 0.221 405 S C 2.034 176.532 174.600 -0.170 0.000 1.031 405 S CA 1.025 59.142 58.200 -0.138 0.000 0.982 405 S CB -0.422 62.740 63.200 -0.063 0.000 0.853 405 S HN 0.536 nan 8.310 nan 0.000 0.458 406 R N 1.792 122.199 120.500 -0.154 0.000 2.070 406 R HA 0.034 4.374 4.340 0.000 0.000 0.232 406 R C 2.863 179.042 176.300 -0.202 0.000 1.138 406 R CA 1.270 57.275 56.100 -0.158 0.000 0.936 406 R CB -1.051 29.191 30.300 -0.097 0.000 0.839 406 R HN 0.502 nan 8.270 nan 0.000 0.429 407 A N 1.769 124.452 122.820 -0.228 0.000 1.896 407 A HA -0.275 4.045 4.320 0.000 0.000 0.220 407 A C 2.126 179.550 177.584 -0.268 0.000 1.206 407 A CA 1.967 53.854 52.037 -0.251 0.000 0.647 407 A CB -0.652 18.096 19.000 -0.419 0.000 0.828 407 A HN 0.320 nan 8.150 nan 0.000 0.455 408 R N -0.558 119.714 120.500 -0.380 0.000 2.148 408 R HA -0.093 4.247 4.340 0.000 0.000 0.227 408 R C 2.121 178.333 176.300 -0.148 0.000 1.103 408 R CA 1.453 57.416 56.100 -0.229 0.000 0.983 408 R CB -0.246 29.925 30.300 -0.215 0.000 0.874 408 R HN 0.600 nan 8.270 nan 0.000 0.451 409 K N 0.619 120.870 120.400 -0.248 0.000 2.044 409 K HA -0.009 4.311 4.320 0.000 0.000 0.204 409 K C 2.106 178.445 176.600 -0.434 0.000 1.049 409 K CA 0.998 56.985 56.287 -0.499 0.000 0.945 409 K CB -0.109 31.854 32.500 -0.895 0.000 0.724 409 K HN 0.054 nan 8.250 nan 0.000 0.440 410 I N 1.829 122.247 120.570 -0.254 0.000 2.118 410 I HA -0.381 3.789 4.170 0.000 0.000 0.241 410 I C 2.941 179.160 176.117 0.170 0.000 1.070 410 I CA 1.516 62.831 61.300 0.026 0.000 1.327 410 I CB -0.352 37.730 38.000 0.137 0.000 1.034 410 I HN 0.313 nan 8.210 nan 0.000 0.405 411 Q N 1.213 121.066 119.800 0.089 0.000 2.077 411 Q HA -0.268 4.072 4.340 0.000 0.000 0.206 411 Q C 2.336 178.421 176.000 0.142 0.000 0.989 411 Q CA 1.946 57.818 55.803 0.115 0.000 0.853 411 Q CB -0.052 28.736 28.738 0.083 0.000 0.907 411 Q HN 0.448 nan 8.270 nan 0.000 0.418 412 R N -0.823 119.756 120.500 0.133 0.000 2.148 412 R HA -0.067 4.273 4.340 0.000 0.000 0.223 412 R C 2.044 178.532 176.300 0.314 0.000 1.088 412 R CA 0.878 57.117 56.100 0.232 0.000 0.985 412 R CB -0.221 30.217 30.300 0.231 0.000 0.880 412 R HN 0.265 nan 8.270 nan 0.000 0.451 413 F N 1.264 121.236 119.950 0.036 0.000 2.604 413 F HA 0.041 4.568 4.527 0.000 0.000 0.298 413 F C 1.325 177.215 175.800 0.149 0.000 1.131 413 F CA 0.698 58.692 58.000 -0.010 0.000 1.457 413 F CB 0.008 38.789 39.000 -0.365 0.000 1.095 413 F HN -0.108 nan 8.300 nan 0.000 0.574 414 L N -0.303 121.053 121.223 0.221 0.000 2.552 414 L HA -0.001 4.339 4.340 0.000 0.000 0.227 414 L C 1.428 178.350 176.870 0.087 0.000 1.146 414 L CA 0.223 55.166 54.840 0.173 0.000 0.858 414 L CB -0.916 41.232 42.059 0.149 0.000 0.969 414 L HN 0.033 nan 8.230 nan 0.000 0.451 415 S N -0.170 115.586 115.700 0.093 0.000 2.634 415 S HA 0.384 4.854 4.470 0.000 0.000 0.261 415 S C -0.196 174.398 174.600 -0.010 0.000 1.271 415 S CA -0.583 57.632 58.200 0.024 0.000 0.985 415 S CB 1.528 64.729 63.200 0.002 0.000 0.968 415 S HN 0.271 nan 8.310 nan 0.000 0.568 416 Q N -0.089 119.677 119.800 -0.057 0.000 2.598 416 Q HA 0.241 4.581 4.340 0.000 0.000 0.237 416 Q C -3.239 172.742 176.000 -0.031 0.000 0.914 416 Q CA -1.287 54.518 55.803 0.004 0.000 1.065 416 Q CB 1.627 30.446 28.738 0.134 0.000 1.586 416 Q HN 0.480 nan 8.270 nan 0.000 0.484 417 P HA 0.135 nan 4.420 nan 0.000 0.270 417 P C -0.821 176.617 177.300 0.230 0.000 1.242 417 P CA 0.092 63.212 63.100 0.033 0.000 0.768 417 P CB -0.014 31.702 31.700 0.028 0.000 0.820 418 F N 2.385 122.349 119.950 0.024 0.000 2.443 418 F HA 0.142 4.669 4.527 0.000 0.000 0.353 418 F C 2.142 177.958 175.800 0.027 0.000 1.101 418 F CA -0.605 57.411 58.000 0.026 0.000 1.226 418 F CB 0.223 39.240 39.000 0.028 0.000 1.140 418 F HN 0.393 nan 8.300 nan 0.000 0.557 419 Q N 1.579 121.488 119.800 0.182 0.000 2.248 419 Q HA -0.124 4.216 4.340 0.000 0.000 0.208 419 Q C 1.836 177.892 176.000 0.093 0.000 0.984 419 Q CA 1.327 57.187 55.803 0.095 0.000 0.875 419 Q CB -0.228 28.530 28.738 0.035 0.000 0.910 419 Q HN 0.515 nan 8.270 nan 0.000 0.433 420 V N 0.464 120.452 119.914 0.124 0.000 2.951 420 V HA -0.104 4.016 4.120 0.000 0.000 0.255 420 V C 2.095 178.274 176.094 0.143 0.000 1.088 420 V CA 1.265 63.632 62.300 0.111 0.000 1.109 420 V CB -0.477 31.411 31.823 0.109 0.000 0.724 420 V HN 0.347 nan 8.190 nan 0.000 0.471 421 A N -0.247 122.678 122.820 0.175 0.000 1.969 421 A HA -0.183 4.137 4.320 0.000 0.000 0.218 421 A C 2.060 179.731 177.584 0.145 0.000 1.169 421 A CA 1.389 53.526 52.037 0.167 0.000 0.635 421 A CB -0.357 18.711 19.000 0.113 0.000 0.810 421 A HN 0.574 nan 8.150 nan 0.000 0.445 422 E N -0.096 120.161 120.200 0.095 0.000 2.149 422 E HA -0.269 4.081 4.350 0.000 0.000 0.215 422 E C 1.773 178.356 176.600 -0.028 0.000 1.055 422 E CA 2.036 58.463 56.400 0.045 0.000 0.870 422 E CB -0.710 29.000 29.700 0.017 0.000 0.764 422 E HN 0.447 nan 8.360 nan 0.000 0.463 423 V N -0.107 119.737 119.914 -0.116 0.000 2.736 423 V HA -0.259 3.861 4.120 0.000 0.000 0.262 423 V C 1.456 177.144 176.094 -0.677 0.000 1.114 423 V CA 1.824 63.885 62.300 -0.400 0.000 1.133 423 V CB -0.657 30.844 31.823 -0.536 0.000 0.703 423 V HN 0.214 nan 8.190 nan 0.000 0.495 424 F N -1.029 118.924 119.950 0.005 0.000 2.570 424 F HA 0.065 4.592 4.527 0.000 0.000 0.290 424 F C 2.427 178.241 175.800 0.023 0.000 0.910 424 F CA 0.791 58.793 58.000 0.004 0.000 1.119 424 F CB -0.706 38.289 39.000 -0.009 0.000 0.922 424 F HN 0.071 nan 8.300 nan 0.000 0.703 425 T N -1.909 112.776 114.554 0.218 0.000 2.962 425 T HA 0.139 4.489 4.350 0.000 0.000 0.270 425 T C 1.842 176.678 174.700 0.227 0.000 1.088 425 T CA 0.956 63.181 62.100 0.209 0.000 1.127 425 T CB -0.763 68.213 68.868 0.180 0.000 0.883 425 T HN 0.588 nan 8.240 nan 0.000 0.493 426 G N 1.040 109.886 108.800 0.078 0.000 2.249 426 G HA2 -0.229 3.731 3.960 0.000 0.000 0.273 426 G HA3 -0.229 3.731 3.960 0.000 0.000 0.273 426 G C -0.223 174.515 174.900 -0.269 0.000 1.036 426 G CA 0.444 45.497 45.100 -0.078 0.000 0.824 426 G HN 0.860 nan 8.290 nan 0.000 0.504 427 H N -1.994 117.082 119.070 0.010 0.000 2.759 427 H HA 0.505 5.061 4.556 0.000 0.000 0.354 427 H C -0.010 175.325 175.328 0.011 0.000 1.074 427 H CA -0.949 55.104 56.048 0.008 0.000 1.226 427 H CB 1.589 31.355 29.762 0.008 0.000 1.648 427 H HN 0.281 nan 8.280 nan 0.000 0.529 428 L N 2.729 124.016 121.223 0.107 0.000 2.534 428 L HA 0.271 4.611 4.340 0.000 0.000 0.271 428 L C 0.750 177.671 176.870 0.085 0.000 1.178 428 L CA 0.382 55.263 54.840 0.068 0.000 0.907 428 L CB -0.028 42.055 42.059 0.041 0.000 1.164 428 L HN 0.816 nan 8.230 nan 0.000 0.482 429 G N 4.533 113.380 108.800 0.078 0.000 2.432 429 G HA2 0.236 4.196 3.960 0.000 0.000 0.239 429 G HA3 0.236 4.196 3.960 0.000 0.000 0.239 429 G C -0.445 174.500 174.900 0.076 0.000 1.291 429 G CA -0.585 44.572 45.100 0.095 0.000 0.863 429 G HN 0.559 nan 8.290 nan 0.000 0.560 430 K N 0.900 121.356 120.400 0.092 0.000 2.221 430 K HA 0.419 4.739 4.320 0.000 0.000 0.258 430 K C -1.024 175.612 176.600 0.061 0.000 0.944 430 K CA -1.096 55.233 56.287 0.069 0.000 0.823 430 K CB 2.214 34.756 32.500 0.070 0.000 1.113 430 K HN 0.298 nan 8.250 nan 0.000 0.431 431 L N 3.703 124.943 121.223 0.028 0.000 2.318 431 L HA 0.350 4.690 4.340 0.000 0.000 0.277 431 L C -1.215 175.658 176.870 0.006 0.000 1.008 431 L CA -0.839 54.001 54.840 0.001 0.000 0.846 431 L CB 1.328 43.372 42.059 -0.025 0.000 1.220 431 L HN 0.276 nan 8.230 nan 0.000 0.423 432 V N 7.515 127.436 119.914 0.011 0.000 2.406 432 V HA 0.443 4.563 4.120 0.000 0.000 0.272 432 V C -1.904 174.193 176.094 0.004 0.000 1.043 432 V CA -1.386 60.925 62.300 0.018 0.000 0.915 432 V CB 0.958 32.796 31.823 0.024 0.000 0.988 432 V HN 0.695 nan 8.190 nan 0.000 0.466 433 P HA 0.119 nan 4.420 nan 0.000 0.271 433 P C 0.696 177.999 177.300 0.005 0.000 1.218 433 P CA -0.448 62.654 63.100 0.003 0.000 0.780 433 P CB 0.761 32.465 31.700 0.008 0.000 0.901 434 L N 2.889 124.111 121.223 -0.000 0.000 2.261 434 L HA -0.183 4.157 4.340 0.000 0.000 0.216 434 L C 1.848 178.700 176.870 -0.030 0.000 1.114 434 L CA 1.974 56.800 54.840 -0.023 0.000 0.777 434 L CB -0.730 41.325 42.059 -0.007 0.000 0.910 434 L HN 0.294 nan 8.230 nan 0.000 0.440 435 K N -0.984 119.418 120.400 0.003 0.000 2.031 435 K HA -0.099 4.221 4.320 0.000 0.000 0.205 435 K C 1.981 178.607 176.600 0.044 0.000 1.049 435 K CA 1.151 57.449 56.287 0.018 0.000 0.939 435 K CB -0.076 32.441 32.500 0.028 0.000 0.717 435 K HN 0.234 nan 8.250 nan 0.000 0.438 436 E N 0.412 120.645 120.200 0.056 0.000 2.085 436 E HA -0.157 4.193 4.350 0.000 0.000 0.194 436 E C 2.070 178.754 176.600 0.140 0.000 0.994 436 E CA 1.372 57.829 56.400 0.095 0.000 0.801 436 E CB -0.406 29.346 29.700 0.086 0.000 0.743 436 E HN 0.282 nan 8.360 nan 0.000 0.453 437 T N 2.288 116.903 114.554 0.102 0.000 2.622 437 T HA -0.140 4.210 4.350 0.000 0.000 0.266 437 T C 2.017 176.838 174.700 0.202 0.000 1.047 437 T CA 1.266 63.452 62.100 0.145 0.000 1.159 437 T CB -0.174 68.698 68.868 0.007 0.000 0.863 437 T HN 0.051 nan 8.240 nan 0.000 0.422 438 I N 1.339 121.930 120.570 0.036 0.000 2.127 438 I HA -0.171 3.999 4.170 0.000 0.000 0.241 438 I C 2.342 178.543 176.117 0.141 0.000 1.075 438 I CA 1.705 63.018 61.300 0.021 0.000 1.334 438 I CB -1.142 36.813 38.000 -0.075 0.000 1.040 438 I HN 0.285 nan 8.210 nan 0.000 0.405 439 K N 0.909 121.387 120.400 0.129 0.000 2.009 439 K HA -0.141 4.179 4.320 0.000 0.000 0.210 439 K C 2.248 178.977 176.600 0.214 0.000 1.049 439 K CA 1.644 58.020 56.287 0.148 0.000 0.929 439 K CB -0.832 31.741 32.500 0.122 0.000 0.714 439 K HN 0.452 nan 8.250 nan 0.000 0.440 440 G N 0.889 109.843 108.800 0.257 0.000 2.599 440 G HA2 -0.284 3.676 3.960 0.000 0.000 0.219 440 G HA3 -0.284 3.676 3.960 0.000 0.000 0.219 440 G C 1.293 176.367 174.900 0.290 0.000 1.193 440 G CA 1.358 46.644 45.100 0.311 0.000 0.778 440 G HN 0.193 nan 8.290 nan 0.000 0.589 441 F N 0.701 120.820 119.950 0.282 0.000 2.325 441 F HA 0.060 4.587 4.527 0.000 0.000 0.299 441 F C 2.857 178.731 175.800 0.125 0.000 1.090 441 F CA 1.347 59.469 58.000 0.203 0.000 1.392 441 F CB -0.320 38.742 39.000 0.103 0.000 1.053 441 F HN 0.216 nan 8.300 nan 0.000 0.521 442 Q N 0.355 120.319 119.800 0.273 0.000 2.050 442 Q HA -0.258 4.082 4.340 0.000 0.000 0.202 442 Q C 2.088 178.167 176.000 0.132 0.000 0.980 442 Q CA 1.922 57.826 55.803 0.168 0.000 0.840 442 Q CB -0.093 28.726 28.738 0.134 0.000 0.898 442 Q HN 0.484 nan 8.270 nan 0.000 0.424 443 Q N -0.170 119.725 119.800 0.159 0.000 2.079 443 Q HA -0.140 4.200 4.340 0.000 0.000 0.200 443 Q C 2.171 178.237 176.000 0.111 0.000 0.974 443 Q CA 1.228 57.103 55.803 0.120 0.000 0.840 443 Q CB 0.000 28.875 28.738 0.228 0.000 0.898 443 Q HN 0.445 nan 8.270 nan 0.000 0.430 444 I N 0.953 121.619 120.570 0.159 0.000 2.163 444 I HA -0.292 3.878 4.170 0.000 0.000 0.243 444 I C 2.361 178.494 176.117 0.026 0.000 1.085 444 I CA 1.465 62.801 61.300 0.060 0.000 1.347 444 I CB -1.227 36.705 38.000 -0.114 0.000 1.044 444 I HN 0.263 nan 8.210 nan 0.000 0.408 445 L N 1.015 122.274 121.223 0.059 0.000 2.013 445 L HA -0.245 4.095 4.340 0.000 0.000 0.212 445 L C 2.856 179.741 176.870 0.024 0.000 1.073 445 L CA 1.798 56.665 54.840 0.045 0.000 0.753 445 L CB -0.764 41.338 42.059 0.070 0.000 0.890 445 L HN 0.245 nan 8.230 nan 0.000 0.432 446 A N -0.856 121.979 122.820 0.024 0.000 1.978 446 A HA -0.031 4.289 4.320 0.000 0.000 0.220 446 A C 1.960 179.538 177.584 -0.009 0.000 1.170 446 A CA 1.754 53.794 52.037 0.004 0.000 0.636 446 A CB -0.724 18.271 19.000 -0.008 0.000 0.810 446 A HN 0.655 nan 8.150 nan 0.000 0.448 447 G N -1.694 107.099 108.800 -0.010 0.000 2.179 447 G HA2 -0.233 3.727 3.960 0.000 0.000 0.220 447 G HA3 -0.233 3.727 3.960 0.000 0.000 0.220 447 G C 0.545 175.435 174.900 -0.016 0.000 0.990 447 G CA 0.637 45.734 45.100 -0.004 0.000 0.646 447 G HN 0.529 nan 8.290 nan 0.000 0.517 448 E N -0.802 119.336 120.200 -0.103 0.000 2.219 448 E HA -0.148 4.202 4.350 0.000 0.000 0.198 448 E C 1.104 177.540 176.600 -0.272 0.000 0.998 448 E CA 1.418 57.669 56.400 -0.248 0.000 0.818 448 E CB -0.136 29.271 29.700 -0.488 0.000 0.741 448 E HN 0.733 nan 8.360 nan 0.000 0.477 449 Y N -0.113 120.210 120.300 0.039 0.000 2.636 449 Y HA 0.112 4.662 4.550 0.000 0.000 0.260 449 Y C 0.888 176.713 175.900 -0.125 0.000 1.177 449 Y CA -0.441 57.590 58.100 -0.114 0.000 1.209 449 Y CB 0.438 38.882 38.460 -0.027 0.000 1.166 449 Y HN -0.103 nan 8.280 nan 0.000 0.531 450 D N -0.289 120.170 120.400 0.099 0.000 2.221 450 D HA -0.170 4.470 4.640 0.000 0.000 0.204 450 D C 1.546 177.892 176.300 0.078 0.000 0.982 450 D CA 1.299 55.351 54.000 0.086 0.000 0.857 450 D CB -0.305 40.539 40.800 0.073 0.000 0.934 450 D HN 0.568 nan 8.370 nan 0.000 0.475 451 H N -0.275 118.840 119.070 0.075 0.000 2.933 451 H HA 0.275 4.831 4.556 0.000 0.000 0.306 451 H C -0.068 175.286 175.328 0.044 0.000 1.142 451 H CA 0.029 56.104 56.048 0.045 0.000 1.193 451 H CB -0.927 28.848 29.762 0.023 0.000 1.330 451 H HN 0.097 nan 8.280 nan 0.000 0.585 452 L N 1.056 122.201 121.223 -0.131 0.000 2.393 452 L HA 0.444 4.784 4.340 0.000 0.000 0.260 452 L C -2.483 174.353 176.870 -0.056 0.000 1.002 452 L CA -2.434 52.305 54.840 -0.168 0.000 0.818 452 L CB 2.598 44.439 42.059 -0.363 0.000 1.369 452 L HN 0.030 nan 8.230 nan 0.000 0.412 453 P HA 0.198 nan 4.420 nan 0.000 0.280 453 P C 0.074 177.372 177.300 -0.004 0.000 1.244 453 P CA -0.336 62.743 63.100 -0.036 0.000 0.784 453 P CB 1.080 32.748 31.700 -0.053 0.000 0.913 454 E N 1.253 121.510 120.200 0.095 0.000 2.082 454 E HA -0.293 4.057 4.350 0.000 0.000 0.215 454 E C 1.632 178.324 176.600 0.152 0.000 1.048 454 E CA 1.562 58.072 56.400 0.183 0.000 0.869 454 E CB -0.278 29.469 29.700 0.078 0.000 0.773 454 E HN 0.502 nan 8.360 nan 0.000 0.466 455 Q N -0.589 119.238 119.800 0.045 0.000 2.522 455 Q HA -0.148 4.192 4.340 0.000 0.000 0.216 455 Q C 1.808 177.805 176.000 -0.005 0.000 0.986 455 Q CA 1.043 56.877 55.803 0.052 0.000 0.901 455 Q CB -0.222 28.527 28.738 0.019 0.000 0.954 455 Q HN 0.334 nan 8.270 nan 0.000 0.502 456 A N -0.570 122.136 122.820 -0.190 0.000 1.968 456 A HA -0.057 4.263 4.320 0.000 0.000 0.217 456 A C 1.436 178.746 177.584 -0.457 0.000 1.169 456 A CA 0.660 52.444 52.037 -0.422 0.000 0.638 456 A CB -0.359 18.202 19.000 -0.731 0.000 0.812 456 A HN 0.305 nan 8.150 nan 0.000 0.446 457 F N -2.603 117.298 119.950 -0.082 0.000 2.754 457 F HA 0.203 4.730 4.527 0.000 0.000 0.297 457 F C 0.776 176.648 175.800 0.120 0.000 1.122 457 F CA -0.528 57.426 58.000 -0.077 0.000 1.400 457 F CB -0.366 38.546 39.000 -0.146 0.000 1.117 457 F HN 0.243 nan 8.300 nan 0.000 0.587 458 Y N 2.779 123.167 120.300 0.146 0.000 2.465 458 Y HA 0.217 4.767 4.550 0.000 0.000 0.331 458 Y C 0.655 176.587 175.900 0.054 0.000 1.102 458 Y CA -1.473 56.684 58.100 0.096 0.000 1.358 458 Y CB 0.105 38.593 38.460 0.047 0.000 1.213 458 Y HN 0.064 nan 8.280 nan 0.000 0.525 459 M N 6.602 125.916 119.600 -0.476 0.000 2.852 459 M HA -0.181 4.299 4.480 0.000 0.000 0.176 459 M C -0.687 175.511 176.300 -0.169 0.000 1.160 459 M CA 1.108 56.153 55.300 -0.425 0.000 0.702 459 M CB -2.756 29.412 32.600 -0.720 0.000 1.193 459 M HN 0.493 nan 8.290 nan 0.000 0.775 460 V N -1.648 118.256 119.914 -0.016 0.000 3.998 460 V HA 1.123 5.243 4.120 0.000 0.000 0.297 460 V C 0.598 176.742 176.094 0.082 0.000 1.378 460 V CA 0.249 62.572 62.300 0.038 0.000 0.949 460 V CB 1.419 33.280 31.823 0.063 0.000 1.258 460 V HN 0.541 nan 8.190 nan 0.000 0.471 461 G N -0.669 108.201 108.800 0.117 0.000 3.088 461 G HA2 0.585 4.545 3.960 0.000 0.000 0.197 461 G HA3 0.585 4.545 3.960 0.000 0.000 0.197 461 G C -2.722 172.286 174.900 0.181 0.000 1.611 461 G CA -0.353 44.814 45.100 0.111 0.000 0.771 461 G HN 0.740 nan 8.290 nan 0.000 0.789 462 P HA 0.140 nan 4.420 nan 0.000 0.271 462 P C 0.802 178.202 177.300 0.166 0.000 1.244 462 P CA -0.455 62.737 63.100 0.153 0.000 0.793 462 P CB 1.025 32.773 31.700 0.078 0.000 0.984 463 I N 0.557 121.203 120.570 0.126 0.000 2.361 463 I HA -0.241 3.929 4.170 0.000 0.000 0.251 463 I C 1.760 177.715 176.117 -0.270 0.000 1.133 463 I CA 1.748 62.948 61.300 -0.167 0.000 1.413 463 I CB -0.959 36.922 38.000 -0.198 0.000 1.073 463 I HN 0.203 nan 8.210 nan 0.000 0.424 464 E N 1.004 121.136 120.200 -0.114 0.000 2.086 464 E HA -0.267 4.083 4.350 0.000 0.000 0.200 464 E C 2.090 178.611 176.600 -0.131 0.000 1.012 464 E CA 2.000 58.341 56.400 -0.098 0.000 0.812 464 E CB -0.428 29.256 29.700 -0.027 0.000 0.743 464 E HN 0.614 nan 8.360 nan 0.000 0.453 465 E N -0.212 119.931 120.200 -0.096 0.000 2.401 465 E HA -0.126 4.224 4.350 0.000 0.000 0.199 465 E C 1.783 178.275 176.600 -0.179 0.000 1.023 465 E CA 0.614 56.958 56.400 -0.093 0.000 0.859 465 E CB -0.060 29.623 29.700 -0.030 0.000 0.780 465 E HN 0.287 nan 8.360 nan 0.000 0.523 466 A N 0.769 123.404 122.820 -0.307 0.000 1.874 466 A HA -0.075 4.245 4.320 0.000 0.000 0.214 466 A C 2.461 179.734 177.584 -0.518 0.000 1.189 466 A CA 0.666 52.396 52.037 -0.512 0.000 0.615 466 A CB -0.394 18.138 19.000 -0.781 0.000 0.830 466 A HN 0.096 nan 8.150 nan 0.000 0.443 467 V N 0.226 119.883 119.914 -0.429 0.000 2.261 467 V HA -0.238 3.882 4.120 0.000 0.000 0.246 467 V C 3.049 179.031 176.094 -0.186 0.000 1.047 467 V CA 1.866 63.996 62.300 -0.283 0.000 1.015 467 V CB -1.499 30.234 31.823 -0.151 0.000 0.642 467 V HN 0.611 nan 8.190 nan 0.000 0.446 468 A N -0.028 122.704 122.820 -0.147 0.000 1.863 468 A HA -0.384 3.936 4.320 0.000 0.000 0.218 468 A C 2.327 179.849 177.584 -0.104 0.000 1.233 468 A CA 2.783 54.762 52.037 -0.096 0.000 0.655 468 A CB -0.837 18.118 19.000 -0.074 0.000 0.839 468 A HN 0.486 nan 8.150 nan 0.000 0.454 469 K N -0.750 119.575 120.400 -0.126 0.000 2.089 469 K HA -0.241 4.079 4.320 0.000 0.000 0.210 469 K C 2.253 178.777 176.600 -0.127 0.000 1.048 469 K CA 1.559 57.778 56.287 -0.114 0.000 0.926 469 K CB -0.413 32.005 32.500 -0.137 0.000 0.714 469 K HN 0.481 nan 8.250 nan 0.000 0.448 470 A N 2.022 124.728 122.820 -0.191 0.000 1.841 470 A HA -0.248 4.072 4.320 0.000 0.000 0.216 470 A C 1.710 179.232 177.584 -0.103 0.000 1.199 470 A CA 2.264 54.192 52.037 -0.182 0.000 0.621 470 A CB -0.851 17.995 19.000 -0.256 0.000 0.835 470 A HN 0.412 nan 8.150 nan 0.000 0.445 471 D N -0.032 120.318 120.400 -0.083 0.000 2.133 471 D HA -0.202 4.438 4.640 0.000 0.000 0.192 471 D C 1.867 178.145 176.300 -0.037 0.000 1.001 471 D CA 1.901 55.874 54.000 -0.044 0.000 0.844 471 D CB -0.432 40.349 40.800 -0.031 0.000 0.944 471 D HN 0.579 nan 8.370 nan 0.000 0.447 472 K N 0.223 120.598 120.400 -0.041 0.000 2.057 472 K HA -0.028 4.292 4.320 0.000 0.000 0.207 472 K C 2.228 178.812 176.600 -0.026 0.000 1.049 472 K CA 0.652 56.922 56.287 -0.028 0.000 0.931 472 K CB -0.144 32.341 32.500 -0.026 0.000 0.714 472 K HN 0.161 nan 8.250 nan 0.000 0.440 473 L N 0.556 121.756 121.223 -0.038 0.000 2.478 473 L HA 0.057 4.397 4.340 0.000 0.000 0.223 473 L C 0.744 177.597 176.870 -0.028 0.000 1.140 473 L CA 0.049 54.870 54.840 -0.031 0.000 0.842 473 L CB -0.912 41.123 42.059 -0.041 0.000 0.953 473 L HN 0.258 nan 8.230 nan 0.000 0.452 474 A N 0.000 122.802 122.820 -0.030 0.000 2.254 474 A HA 0.000 4.320 4.320 0.000 0.000 0.244 474 A CA 0.000 52.025 52.037 -0.021 0.000 0.836 474 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486