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 1nbm_1_F DATA FIRST_RESID 9 DATA SEQUENCE TTGRIVAVIG AVVDVQFDEG LPPILNALEV QGRETRLVLE VAQHLGESTV DATA SEQUENCE RTIAMDGTEG LVRGQKVLDS GAPIRIPVGP ETLGRIMNVI GEPIDERGPI DATA SEQUENCE KTKQFAAIHA EAPEFVEMSV EQEILVTGIK VVDLLAPYAK GGKIGLFGGA DATA SEQUENCE GVGKTVLIME LINNVAKAHG GYSVFAGVGE RTREGNDLYH EMIESGVINL DATA SEQUENCE KDATSKVALV YGQMNEPPGA RARVALTGLT VAEYFRDQEG QDVLLFIDNI DATA SEQUENCE FRFTQAGSEV SALLGRIPSA VGYQPTLATD MGTMQERITT TKKGSITSVQ DATA SEQUENCE AIYVPADDLT DPAPATTFAH LDATTVLSRA IAELGIYPAV DPLDSTSRIM DATA SEQUENCE DPNIVGSEHY DVARGVQKIL QDYKSLQDII AILGMDELSE EDKLTVSRAR DATA SEQUENCE KIQRFLSQPF QVAEVFTGHL GKLVPLKETI KGFQQILAGE YDHLPEQAFY DATA SEQUENCE MVGPIEEAVA KADKLA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.816 174.700 0.193 0.000 1.109 9 T CA 0.000 62.194 62.100 0.157 0.000 1.349 9 T CB 0.000 68.921 68.868 0.089 0.000 0.612 10 T N 1.958 116.550 114.554 0.064 0.000 2.775 10 T HA 0.561 4.911 4.350 -0.000 0.000 0.287 10 T C 0.859 175.453 174.700 -0.176 0.000 0.909 10 T CA 0.035 62.122 62.100 -0.022 0.000 1.081 10 T CB -0.074 68.774 68.868 -0.033 0.000 0.891 10 T HN 0.928 nan 8.240 nan 0.000 0.544 11 G N 3.008 111.519 108.800 -0.482 0.000 2.580 11 G HA2 0.597 4.557 3.960 -0.000 0.000 0.278 11 G HA3 0.597 4.557 3.960 -0.000 0.000 0.278 11 G C -0.368 174.203 174.900 -0.548 0.000 1.212 11 G CA -0.898 43.596 45.100 -1.009 0.000 0.939 11 G HN 0.624 nan 8.290 nan 0.000 0.513 12 R N -0.766 119.461 120.500 -0.456 0.000 2.673 12 R HA 0.312 4.652 4.340 -0.000 0.000 0.281 12 R C -0.588 175.592 176.300 -0.200 0.000 0.991 12 R CA -0.853 55.098 56.100 -0.249 0.000 0.896 12 R CB 2.419 32.620 30.300 -0.165 0.000 1.201 12 R HN 0.387 nan 8.270 nan 0.000 0.457 13 I N 3.308 123.798 120.570 -0.132 0.000 2.587 13 I HA -0.073 4.097 4.170 -0.000 0.000 0.284 13 I C 1.569 177.647 176.117 -0.065 0.000 1.134 13 I CA 0.141 61.391 61.300 -0.084 0.000 1.410 13 I CB 0.917 38.883 38.000 -0.056 0.000 1.392 13 I HN 0.567 nan 8.210 nan 0.000 0.545 14 V N 3.303 123.187 119.914 -0.050 0.000 3.565 14 V HA 0.548 4.668 4.120 -0.000 0.000 0.260 14 V C 0.632 176.713 176.094 -0.022 0.000 1.231 14 V CA 0.422 62.701 62.300 -0.036 0.000 1.100 14 V CB 0.056 31.861 31.823 -0.030 0.000 0.807 14 V HN 0.733 nan 8.190 nan 0.000 0.454 15 A N -0.318 122.491 122.820 -0.017 0.000 2.566 15 A HA 0.771 5.091 4.320 -0.000 0.000 0.297 15 A C -1.283 176.296 177.584 -0.008 0.000 1.059 15 A CA -0.332 51.698 52.037 -0.011 0.000 0.691 15 A CB 2.062 21.059 19.000 -0.005 0.000 1.282 15 A HN 0.530 nan 8.150 nan 0.000 0.401 16 V N 2.443 122.352 119.914 -0.008 0.000 2.447 16 V HA 0.505 4.625 4.120 -0.000 0.000 0.292 16 V C -1.210 174.880 176.094 -0.006 0.000 1.021 16 V CA -0.070 62.226 62.300 -0.007 0.000 0.850 16 V CB 1.022 32.839 31.823 -0.009 0.000 1.005 16 V HN 0.650 nan 8.190 nan 0.000 0.426 17 I N 4.840 125.408 120.570 -0.005 0.000 2.537 17 I HA 0.728 4.898 4.170 -0.000 0.000 0.276 17 I C 0.907 177.019 176.117 -0.007 0.000 1.063 17 I CA 0.564 61.860 61.300 -0.006 0.000 1.144 17 I CB 1.190 39.187 38.000 -0.005 0.000 1.252 17 I HN 0.797 nan 8.210 nan 0.000 0.480 18 G N 4.428 113.223 108.800 -0.008 0.000 2.596 18 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.304 18 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.304 18 G C 0.972 175.866 174.900 -0.009 0.000 1.189 18 G CA 0.625 45.719 45.100 -0.010 0.000 0.986 18 G HN 0.871 nan 8.290 nan 0.000 0.548 19 A N -0.727 122.087 122.820 -0.011 0.000 2.123 19 A HA 0.584 4.904 4.320 -0.000 0.000 0.214 19 A C 1.201 178.783 177.584 -0.004 0.000 1.152 19 A CA 1.676 53.708 52.037 -0.009 0.000 0.728 19 A CB 0.039 19.030 19.000 -0.014 0.000 0.814 19 A HN 1.382 nan 8.150 nan 0.000 0.464 20 V N 1.048 120.960 119.914 -0.004 0.000 2.432 20 V HA 0.363 4.483 4.120 -0.000 0.000 0.275 20 V C -0.527 175.571 176.094 0.006 0.000 1.043 20 V CA -0.149 62.152 62.300 0.002 0.000 0.925 20 V CB 1.317 33.140 31.823 0.000 0.000 0.985 20 V HN 0.102 nan 8.190 nan 0.000 0.466 21 V N 4.558 124.480 119.914 0.014 0.000 2.525 21 V HA 0.419 4.539 4.120 -0.000 0.000 0.299 21 V C -0.660 175.449 176.094 0.025 0.000 1.034 21 V CA -0.882 61.426 62.300 0.013 0.000 0.863 21 V CB 2.066 33.896 31.823 0.012 0.000 0.999 21 V HN 0.808 nan 8.190 nan 0.000 0.423 22 D N 3.762 124.173 120.400 0.018 0.000 2.249 22 D HA 0.498 5.138 4.640 -0.000 0.000 0.246 22 D C -0.541 175.770 176.300 0.018 0.000 1.114 22 D CA -0.017 54.000 54.000 0.029 0.000 0.854 22 D CB 2.518 43.330 40.800 0.020 0.000 1.132 22 D HN 0.244 nan 8.370 nan 0.000 0.461 23 V N 2.294 122.237 119.914 0.050 0.000 2.604 23 V HA 0.283 4.403 4.120 -0.000 0.000 0.305 23 V C -0.032 176.075 176.094 0.022 0.000 1.043 23 V CA -0.859 61.434 62.300 -0.012 0.000 0.888 23 V CB 2.167 33.994 31.823 0.007 0.000 0.995 23 V HN 0.423 nan 8.190 nan 0.000 0.429 24 Q N 2.687 122.418 119.800 -0.115 0.000 2.293 24 Q HA 0.610 4.950 4.340 -0.000 0.000 0.261 24 Q C -1.989 173.903 176.000 -0.180 0.000 0.960 24 Q CA -0.487 55.292 55.803 -0.040 0.000 0.882 24 Q CB 1.435 30.145 28.738 -0.047 0.000 1.275 24 Q HN 0.627 nan 8.270 nan 0.000 0.445 25 F N 2.983 122.903 119.950 -0.051 0.000 2.449 25 F HA 0.238 4.765 4.527 -0.000 0.000 0.342 25 F C 0.407 176.180 175.800 -0.044 0.000 1.127 25 F CA -0.665 57.307 58.000 -0.047 0.000 0.975 25 F CB 1.759 40.723 39.000 -0.059 0.000 1.146 25 F HN 0.683 nan 8.300 nan 0.000 0.444 26 D N 0.595 121.048 120.400 0.088 0.000 2.078 26 D HA -0.091 4.549 4.640 -0.000 0.000 0.193 26 D C 0.171 176.508 176.300 0.061 0.000 0.990 26 D CA 1.565 55.594 54.000 0.048 0.000 0.827 26 D CB 0.242 41.052 40.800 0.016 0.000 0.975 26 D HN 0.333 nan 8.370 nan 0.000 0.451 27 E N -0.428 119.817 120.200 0.076 0.000 2.222 27 E HA 0.495 4.845 4.350 -0.000 0.000 0.267 27 E C -0.205 176.435 176.600 0.065 0.000 0.884 27 E CA -0.496 55.936 56.400 0.053 0.000 0.764 27 E CB 1.849 31.570 29.700 0.035 0.000 1.169 27 E HN 0.241 nan 8.360 nan 0.000 0.413 28 G N 2.304 111.114 108.800 0.017 0.000 3.115 28 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.291 28 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.291 28 G C -0.900 173.932 174.900 -0.112 0.000 1.012 28 G CA -0.470 44.613 45.100 -0.028 0.000 0.929 28 G HN 0.273 nan 8.290 nan 0.000 0.413 29 L N 5.643 126.757 121.223 -0.182 0.000 2.275 29 L HA 0.700 5.040 4.340 -0.000 0.000 0.288 29 L C -1.238 175.390 176.870 -0.403 0.000 1.046 29 L CA -2.160 52.460 54.840 -0.367 0.000 0.805 29 L CB 1.004 42.869 42.059 -0.322 0.000 1.193 29 L HN 0.429 nan 8.230 nan 0.000 0.426 30 P HA 0.289 nan 4.420 nan 0.000 0.276 30 P C -2.752 174.510 177.300 -0.065 0.000 1.230 30 P CA -1.302 61.584 63.100 -0.356 0.000 0.776 30 P CB 0.427 31.825 31.700 -0.504 0.000 0.888 31 P HA 0.179 nan 4.420 nan 0.000 0.273 31 P C 0.388 177.706 177.300 0.030 0.000 1.250 31 P CA -0.158 62.990 63.100 0.079 0.000 0.793 31 P CB 0.412 32.106 31.700 -0.010 0.000 1.011 32 I N 1.485 121.994 120.570 -0.101 0.000 2.754 32 I HA -0.029 4.141 4.170 -0.000 0.000 0.285 32 I C 1.290 177.333 176.117 -0.124 0.000 1.166 32 I CA 0.404 61.626 61.300 -0.131 0.000 1.417 32 I CB -0.199 37.674 38.000 -0.210 0.000 1.382 32 I HN 0.445 nan 8.210 nan 0.000 0.588 33 L N 1.937 123.078 121.223 -0.136 0.000 4.892 33 L HA -0.246 4.094 4.340 -0.000 0.000 0.403 33 L C 0.035 176.858 176.870 -0.079 0.000 0.913 33 L CA 0.133 54.852 54.840 -0.202 0.000 1.653 33 L CB -1.558 40.294 42.059 -0.345 0.000 1.780 33 L HN 0.692 nan 8.230 nan 0.000 0.597 34 N N 1.028 119.702 118.700 -0.045 0.000 2.530 34 N HA 0.545 5.285 4.740 -0.000 0.000 0.273 34 N C 0.201 175.715 175.510 0.006 0.000 1.173 34 N CA 0.804 53.843 53.050 -0.019 0.000 0.967 34 N CB 1.178 39.642 38.487 -0.038 0.000 1.109 34 N HN 0.279 nan 8.380 nan 0.000 0.453 35 A N 2.780 125.611 122.820 0.019 0.000 2.301 35 A HA 0.567 4.887 4.320 -0.000 0.000 0.298 35 A C -0.305 177.300 177.584 0.034 0.000 1.185 35 A CA -0.463 51.593 52.037 0.032 0.000 0.830 35 A CB 0.118 19.135 19.000 0.028 0.000 1.112 35 A HN 0.639 nan 8.150 nan 0.000 0.508 36 L N 1.659 122.915 121.223 0.054 0.000 2.330 36 L HA 0.543 4.883 4.340 -0.000 0.000 0.271 36 L C -0.238 176.667 176.870 0.057 0.000 1.013 36 L CA -0.790 54.100 54.840 0.084 0.000 0.816 36 L CB 1.722 43.870 42.059 0.149 0.000 1.287 36 L HN 0.587 nan 8.230 nan 0.000 0.435 37 E N 2.026 122.258 120.200 0.054 0.000 2.155 37 E HA 0.306 4.656 4.350 -0.000 0.000 0.264 37 E C -0.986 175.628 176.600 0.023 0.000 0.886 37 E CA -0.561 55.855 56.400 0.028 0.000 0.752 37 E CB 2.455 32.163 29.700 0.015 0.000 1.133 37 E HN 0.168 nan 8.360 nan 0.000 0.414 38 V N 4.044 123.965 119.914 0.012 0.000 2.555 38 V HA 0.024 4.144 4.120 -0.000 0.000 0.286 38 V C 0.619 176.709 176.094 -0.008 0.000 1.044 38 V CA -0.376 61.923 62.300 -0.002 0.000 1.026 38 V CB 0.886 32.707 31.823 -0.004 0.000 0.981 38 V HN 0.469 nan 8.190 nan 0.000 0.480 39 Q N 2.347 122.138 119.800 -0.015 0.000 2.260 39 Q HA 0.472 4.812 4.340 -0.000 0.000 0.238 39 Q C 1.117 177.107 176.000 -0.017 0.000 0.948 39 Q CA 0.372 56.166 55.803 -0.015 0.000 0.895 39 Q CB 1.215 29.942 28.738 -0.018 0.000 1.218 39 Q HN 1.143 nan 8.270 nan 0.000 0.470 40 G N 1.472 110.264 108.800 -0.014 0.000 2.182 40 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.248 40 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.248 40 G C -0.196 174.697 174.900 -0.012 0.000 1.042 40 G CA 0.165 45.256 45.100 -0.014 0.000 0.775 40 G HN 0.408 nan 8.290 nan 0.000 0.501 41 R N -0.963 119.531 120.500 -0.010 0.000 2.621 41 R HA 0.418 4.758 4.340 -0.000 0.000 0.284 41 R C 0.805 177.101 176.300 -0.007 0.000 0.998 41 R CA -0.703 55.392 56.100 -0.008 0.000 0.895 41 R CB 1.406 31.702 30.300 -0.008 0.000 1.195 41 R HN 0.268 nan 8.270 nan 0.000 0.450 42 E N 0.479 120.675 120.200 -0.006 0.000 2.107 42 E HA -0.073 4.277 4.350 -0.000 0.000 0.191 42 E C 0.139 176.735 176.600 -0.005 0.000 0.982 42 E CA 1.124 57.521 56.400 -0.006 0.000 0.809 42 E CB 0.211 29.908 29.700 -0.005 0.000 0.756 42 E HN 0.563 nan 8.360 nan 0.000 0.459 43 T N 0.516 115.067 114.554 -0.005 0.000 2.727 43 T HA 0.155 4.505 4.350 -0.000 0.000 0.295 43 T C 0.151 174.848 174.700 -0.005 0.000 0.915 43 T CA -0.650 61.447 62.100 -0.004 0.000 1.066 43 T CB 1.037 69.903 68.868 -0.003 0.000 0.891 43 T HN 0.021 nan 8.240 nan 0.000 0.516 44 R N 3.232 123.728 120.500 -0.006 0.000 2.586 44 R HA 0.095 4.435 4.340 -0.000 0.000 0.346 44 R C -0.493 175.805 176.300 -0.003 0.000 1.044 44 R CA -0.536 55.560 56.100 -0.007 0.000 1.004 44 R CB -0.462 29.831 30.300 -0.011 0.000 0.968 44 R HN 0.597 nan 8.270 nan 0.000 0.438 45 L N 5.949 127.172 121.223 -0.001 0.000 2.265 45 L HA 0.282 4.622 4.340 -0.000 0.000 0.288 45 L C -0.950 175.925 176.870 0.008 0.000 1.058 45 L CA -0.228 54.614 54.840 0.003 0.000 0.809 45 L CB 1.586 43.646 42.059 0.002 0.000 1.179 45 L HN 0.276 nan 8.230 nan 0.000 0.429 46 V N 6.453 126.373 119.914 0.011 0.000 2.532 46 V HA 0.480 4.600 4.120 -0.000 0.000 0.295 46 V C -0.016 176.095 176.094 0.028 0.000 1.041 46 V CA -0.658 61.653 62.300 0.019 0.000 0.926 46 V CB 1.725 33.558 31.823 0.016 0.000 0.992 46 V HN 0.595 nan 8.190 nan 0.000 0.457 47 L N 3.542 124.789 121.223 0.039 0.000 2.349 47 L HA 0.543 4.883 4.340 -0.000 0.000 0.278 47 L C -0.145 176.757 176.870 0.053 0.000 0.996 47 L CA -0.336 54.532 54.840 0.047 0.000 0.825 47 L CB 1.948 44.042 42.059 0.059 0.000 1.243 47 L HN 0.679 nan 8.230 nan 0.000 0.412 48 E N 2.897 123.126 120.200 0.049 0.000 2.130 48 E HA 0.282 4.632 4.350 -0.000 0.000 0.284 48 E C -0.817 175.805 176.600 0.037 0.000 1.018 48 E CA -0.748 55.681 56.400 0.048 0.000 0.817 48 E CB 1.412 31.153 29.700 0.068 0.000 1.078 48 E HN 0.342 nan 8.360 nan 0.000 0.396 49 V N 5.009 124.941 119.914 0.030 0.000 2.458 49 V HA -0.008 4.112 4.120 -0.000 0.000 0.287 49 V C 1.069 177.167 176.094 0.007 0.000 1.009 49 V CA 0.860 63.182 62.300 0.038 0.000 1.091 49 V CB 0.330 32.177 31.823 0.040 0.000 0.960 49 V HN 0.891 nan 8.190 nan 0.000 0.476 50 A N 4.662 127.493 122.820 0.018 0.000 1.901 50 A HA 0.210 4.530 4.320 -0.000 0.000 0.210 50 A C 0.798 178.369 177.584 -0.022 0.000 1.208 50 A CA 0.835 52.866 52.037 -0.010 0.000 0.644 50 A CB 0.166 19.167 19.000 0.001 0.000 0.863 50 A HN 0.913 nan 8.150 nan 0.000 0.454 51 Q N -1.997 117.817 119.800 0.023 0.000 2.575 51 Q HA 0.457 4.797 4.340 -0.000 0.000 0.290 51 Q C -1.651 174.446 176.000 0.161 0.000 0.963 51 Q CA -0.792 55.018 55.803 0.011 0.000 0.783 51 Q CB 0.823 29.562 28.738 0.002 0.000 1.467 51 Q HN 0.503 nan 8.270 nan 0.000 0.402 52 H N 0.979 120.041 119.070 -0.014 0.000 2.556 52 H HA 0.306 4.862 4.556 -0.000 0.000 0.310 52 H C 0.356 175.685 175.328 0.001 0.000 1.057 52 H CA -0.559 55.485 56.048 -0.007 0.000 1.264 52 H CB 1.287 31.039 29.762 -0.018 0.000 1.404 52 H HN 0.463 nan 8.280 nan 0.000 0.462 53 L N 2.772 124.065 121.223 0.117 0.000 2.341 53 L HA 0.179 4.519 4.340 -0.000 0.000 0.214 53 L C 1.266 178.167 176.870 0.052 0.000 1.115 53 L CA 0.602 55.481 54.840 0.067 0.000 0.820 53 L CB -0.029 42.059 42.059 0.048 0.000 0.944 53 L HN 0.901 nan 8.230 nan 0.000 0.452 54 G N -0.150 108.679 108.800 0.048 0.000 2.434 54 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.671 54 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.671 54 G C -0.128 174.780 174.900 0.013 0.000 1.280 54 G CA -0.448 44.669 45.100 0.028 0.000 0.975 54 G HN 0.229 nan 8.290 nan 0.000 0.510 55 E N -0.965 119.240 120.200 0.009 0.000 2.403 55 E HA -0.216 4.134 4.350 -0.000 0.000 0.241 55 E C 0.876 177.480 176.600 0.007 0.000 1.201 55 E CA 1.006 57.410 56.400 0.007 0.000 0.721 55 E CB -1.558 28.146 29.700 0.008 0.000 1.245 55 E HN 1.956 nan 8.360 nan 0.000 0.392 56 S N -1.559 114.139 115.700 -0.003 0.000 3.581 56 S HA -0.202 4.268 4.470 -0.000 0.000 0.354 56 S C -0.013 174.608 174.600 0.035 0.000 1.059 56 S CA 1.414 59.614 58.200 0.000 0.000 1.060 56 S CB -0.948 62.265 63.200 0.023 0.000 0.908 56 S HN 0.440 nan 8.310 nan 0.000 0.475 57 T N 1.055 115.620 114.554 0.018 0.000 2.876 57 T HA 0.692 5.042 4.350 -0.000 0.000 0.289 57 T C 0.076 174.801 174.700 0.041 0.000 1.014 57 T CA -0.354 61.776 62.100 0.050 0.000 0.986 57 T CB 2.024 70.912 68.868 0.034 0.000 1.021 57 T HN 0.643 nan 8.240 nan 0.000 0.458 58 V N 0.752 120.721 119.914 0.091 0.000 2.876 58 V HA 0.774 4.894 4.120 -0.000 0.000 0.312 58 V C -0.568 175.590 176.094 0.107 0.000 1.085 58 V CA -1.445 60.917 62.300 0.103 0.000 0.945 58 V CB 1.952 33.833 31.823 0.097 0.000 1.017 58 V HN 0.864 nan 8.190 nan 0.000 0.428 59 R N 2.243 122.801 120.500 0.096 0.000 2.255 59 R HA 0.714 5.054 4.340 -0.000 0.000 0.326 59 R C -0.046 176.293 176.300 0.065 0.000 0.986 59 R CA 0.332 56.472 56.100 0.066 0.000 0.847 59 R CB 1.298 31.626 30.300 0.046 0.000 1.111 59 R HN 1.156 nan 8.270 nan 0.000 0.452 60 T N 1.412 116.002 114.554 0.059 0.000 2.942 60 T HA 0.559 4.909 4.350 -0.000 0.000 0.289 60 T C 0.095 174.816 174.700 0.034 0.000 1.044 60 T CA -0.879 61.254 62.100 0.054 0.000 1.023 60 T CB 1.258 70.170 68.868 0.074 0.000 1.123 60 T HN 0.438 nan 8.240 nan 0.000 0.512 61 I N 1.397 121.985 120.570 0.030 0.000 2.406 61 I HA 0.564 4.734 4.170 -0.000 0.000 0.290 61 I C 0.534 176.664 176.117 0.022 0.000 0.999 61 I CA -1.313 59.998 61.300 0.018 0.000 1.124 61 I CB 1.630 39.638 38.000 0.013 0.000 1.289 61 I HN 0.937 nan 8.210 nan 0.000 0.441 62 A N 7.165 129.994 122.820 0.014 0.000 2.388 62 A HA 0.460 4.780 4.320 -0.000 0.000 0.257 62 A C 0.638 178.230 177.584 0.012 0.000 1.095 62 A CA -0.240 51.805 52.037 0.014 0.000 0.791 62 A CB 0.448 19.452 19.000 0.008 0.000 1.029 62 A HN 0.754 nan 8.150 nan 0.000 0.489 63 M N 1.112 120.721 119.600 0.015 0.000 2.419 63 M HA 0.228 4.708 4.480 -0.000 0.000 0.252 63 M C -0.243 176.062 176.300 0.009 0.000 1.143 63 M CA 0.408 55.717 55.300 0.014 0.000 0.985 63 M CB -1.252 31.359 32.600 0.019 0.000 1.489 63 M HN 0.891 nan 8.290 nan 0.000 0.484 64 D N -1.315 119.089 120.400 0.006 0.000 2.713 64 D HA 0.453 5.093 4.640 -0.000 0.000 0.306 64 D C -0.411 175.890 176.300 0.001 0.000 1.299 64 D CA -0.321 53.681 54.000 0.004 0.000 0.823 64 D CB 0.874 41.676 40.800 0.004 0.000 1.353 64 D HN 0.107 nan 8.370 nan 0.000 0.447 65 G N -0.531 108.269 108.800 -0.000 0.000 2.272 65 G HA2 0.324 4.284 3.960 -0.000 0.000 0.247 65 G HA3 0.324 4.284 3.960 -0.000 0.000 0.247 65 G C 0.914 175.813 174.900 -0.002 0.000 1.272 65 G CA 0.565 45.664 45.100 -0.002 0.000 0.921 65 G HN 0.456 nan 8.290 nan 0.000 0.495 66 T N -0.375 114.177 114.554 -0.003 0.000 3.129 66 T HA 0.098 4.448 4.350 -0.000 0.000 0.251 66 T C 0.609 175.306 174.700 -0.006 0.000 1.117 66 T CA 0.058 62.156 62.100 -0.004 0.000 1.034 66 T CB -0.101 68.764 68.868 -0.004 0.000 0.968 66 T HN 0.621 nan 8.240 nan 0.000 0.526 67 E N 1.649 121.846 120.200 -0.005 0.000 2.465 67 E HA 0.430 4.780 4.350 -0.000 0.000 0.260 67 E C 1.302 177.898 176.600 -0.006 0.000 0.980 67 E CA 0.304 56.700 56.400 -0.006 0.000 0.927 67 E CB -0.405 29.293 29.700 -0.005 0.000 0.934 67 E HN 0.265 nan 8.360 nan 0.000 0.459 68 G N 2.205 111.000 108.800 -0.007 0.000 2.232 68 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.226 68 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.226 68 G C 0.109 175.003 174.900 -0.010 0.000 0.996 68 G CA -0.120 44.975 45.100 -0.008 0.000 0.626 68 G HN 0.471 nan 8.290 nan 0.000 0.509 69 L N 1.130 122.346 121.223 -0.011 0.000 2.485 69 L HA 0.476 4.816 4.340 -0.000 0.000 0.275 69 L C 0.562 177.423 176.870 -0.016 0.000 1.207 69 L CA -0.105 54.726 54.840 -0.014 0.000 0.855 69 L CB 1.117 43.168 42.059 -0.013 0.000 1.114 69 L HN 0.035 nan 8.230 nan 0.000 0.485 70 V N 3.109 123.011 119.914 -0.019 0.000 2.735 70 V HA 0.385 4.505 4.120 -0.000 0.000 0.310 70 V C 0.070 176.148 176.094 -0.026 0.000 1.061 70 V CA -0.966 61.322 62.300 -0.020 0.000 0.913 70 V CB 2.016 33.827 31.823 -0.020 0.000 1.005 70 V HN 0.668 nan 8.190 nan 0.000 0.428 71 R N 1.911 122.396 120.500 -0.025 0.000 2.570 71 R HA 0.406 4.746 4.340 -0.000 0.000 0.277 71 R C 1.277 177.555 176.300 -0.037 0.000 1.039 71 R CA 1.134 57.216 56.100 -0.030 0.000 1.065 71 R CB 0.187 30.472 30.300 -0.026 0.000 0.964 71 R HN 1.229 nan 8.270 nan 0.000 0.428 72 G N 1.640 110.411 108.800 -0.049 0.000 2.175 72 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.244 72 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.244 72 G C 0.171 175.033 174.900 -0.063 0.000 0.982 72 G CA 0.005 45.071 45.100 -0.056 0.000 0.641 72 G HN 0.593 nan 8.290 nan 0.000 0.527 73 Q N 1.020 120.785 119.800 -0.058 0.000 2.361 73 Q HA 0.369 4.709 4.340 -0.000 0.000 0.276 73 Q C 0.392 176.346 176.000 -0.078 0.000 1.022 73 Q CA -0.049 55.721 55.803 -0.056 0.000 0.898 73 Q CB 0.417 29.129 28.738 -0.043 0.000 1.246 73 Q HN 0.175 nan 8.270 nan 0.000 0.410 74 K N 2.086 122.444 120.400 -0.070 0.000 2.401 74 K HA 0.192 4.512 4.320 -0.000 0.000 0.278 74 K C -0.970 175.579 176.600 -0.085 0.000 1.018 74 K CA -0.027 56.210 56.287 -0.084 0.000 0.981 74 K CB 0.844 33.310 32.500 -0.057 0.000 0.933 74 K HN 0.368 nan 8.250 nan 0.000 0.477 75 V N 4.070 123.909 119.914 -0.126 0.000 2.569 75 V HA 0.259 4.379 4.120 -0.000 0.000 0.301 75 V C -0.924 175.150 176.094 -0.034 0.000 1.044 75 V CA -1.011 61.237 62.300 -0.088 0.000 0.874 75 V CB 1.789 33.525 31.823 -0.145 0.000 1.002 75 V HN 0.534 nan 8.190 nan 0.000 0.424 76 L N 3.824 125.080 121.223 0.055 0.000 2.322 76 L HA 0.685 5.025 4.340 -0.000 0.000 0.281 76 L C -0.346 176.619 176.870 0.159 0.000 1.014 76 L CA -0.020 54.887 54.840 0.111 0.000 0.815 76 L CB 1.720 43.811 42.059 0.053 0.000 1.247 76 L HN 0.773 nan 8.230 nan 0.000 0.421 77 D N 1.399 121.926 120.400 0.212 0.000 2.351 77 D HA 0.166 4.806 4.640 -0.000 0.000 0.251 77 D C 1.056 177.384 176.300 0.047 0.000 1.137 77 D CA 0.607 54.673 54.000 0.110 0.000 0.879 77 D CB 1.409 42.214 40.800 0.008 0.000 1.181 77 D HN 0.611 nan 8.370 nan 0.000 0.448 78 S N 2.871 118.585 115.700 0.024 0.000 2.387 78 S HA 0.100 4.570 4.470 -0.000 0.000 0.226 78 S C 1.798 176.394 174.600 -0.006 0.000 1.026 78 S CA 0.741 58.944 58.200 0.003 0.000 0.972 78 S CB -0.322 62.874 63.200 -0.007 0.000 0.814 78 S HN 1.114 nan 8.310 nan 0.000 0.477 79 G N 0.337 109.129 108.800 -0.013 0.000 2.184 79 G HA2 0.227 4.187 3.960 -0.000 0.000 0.206 79 G HA3 0.227 4.187 3.960 -0.000 0.000 0.206 79 G C 0.046 174.936 174.900 -0.016 0.000 0.995 79 G CA -0.213 44.874 45.100 -0.020 0.000 0.651 79 G HN 1.506 nan 8.290 nan 0.000 0.511 80 A N -0.712 122.102 122.820 -0.011 0.000 2.609 80 A HA 0.927 5.247 4.320 -0.000 0.000 0.291 80 A C -2.983 174.607 177.584 0.009 0.000 1.096 80 A CA -0.943 51.093 52.037 -0.001 0.000 0.684 80 A CB 1.313 20.314 19.000 0.001 0.000 1.282 80 A HN 0.052 nan 8.150 nan 0.000 0.412 81 P HA 0.284 nan 4.420 nan 0.000 0.275 81 P C -0.473 176.866 177.300 0.065 0.000 1.270 81 P CA -0.299 62.842 63.100 0.068 0.000 0.791 81 P CB 0.271 32.042 31.700 0.117 0.000 1.089 82 I N 1.001 121.629 120.570 0.097 0.000 2.578 82 I HA 0.009 4.179 4.170 -0.000 0.000 0.286 82 I C 0.939 177.071 176.117 0.024 0.000 1.126 82 I CA 0.597 61.924 61.300 0.045 0.000 1.380 82 I CB -0.338 37.688 38.000 0.043 0.000 1.408 82 I HN 0.103 nan 8.210 nan 0.000 0.532 83 R N 7.678 128.180 120.500 0.002 0.000 2.460 83 R HA 0.708 5.048 4.340 -0.000 0.000 0.303 83 R C -0.488 175.823 176.300 0.018 0.000 0.968 83 R CA -0.733 55.377 56.100 0.017 0.000 0.889 83 R CB 1.861 32.167 30.300 0.011 0.000 1.123 83 R HN 0.608 nan 8.270 nan 0.000 0.455 84 I N -1.128 119.483 120.570 0.069 0.000 2.740 84 I HA 0.610 4.780 4.170 -0.000 0.000 0.303 84 I C -2.668 173.572 176.117 0.204 0.000 1.044 84 I CA -3.471 57.885 61.300 0.093 0.000 1.064 84 I CB 2.340 40.351 38.000 0.019 0.000 1.249 84 I HN 0.269 nan 8.210 nan 0.000 0.433 85 P HA 0.172 nan 4.420 nan 0.000 0.268 85 P C -0.789 176.422 177.300 -0.148 0.000 1.204 85 P CA -0.080 63.080 63.100 0.101 0.000 0.768 85 P CB 0.902 32.674 31.700 0.120 0.000 0.842 86 V N 0.274 119.970 119.914 -0.363 0.000 3.007 86 V HA 1.025 5.145 4.120 -0.000 0.000 0.311 86 V C -0.086 175.481 176.094 -0.879 0.000 1.120 86 V CA -0.299 61.642 62.300 -0.597 0.000 0.980 86 V CB 1.569 33.027 31.823 -0.608 0.000 1.033 86 V HN 0.919 nan 8.190 nan 0.000 0.429 87 G N 2.315 110.443 108.800 -1.120 0.000 2.354 87 G HA2 0.154 4.114 3.960 -0.000 0.000 0.582 87 G HA3 0.154 4.114 3.960 -0.000 0.000 0.582 87 G C -2.574 172.229 174.900 -0.162 0.000 1.316 87 G CA -0.069 44.547 45.100 -0.805 0.000 0.995 87 G HN 0.778 nan 8.290 nan 0.000 0.573 88 P HA 0.024 nan 4.420 nan 0.000 0.236 88 P C 0.715 177.983 177.300 -0.052 0.000 1.172 88 P CA 0.983 64.079 63.100 -0.007 0.000 0.759 88 P CB 0.245 31.959 31.700 0.023 0.000 0.843 89 E N -0.469 119.689 120.200 -0.069 0.000 2.479 89 E HA 0.006 4.356 4.350 -0.000 0.000 0.193 89 E C 1.581 178.155 176.600 -0.045 0.000 1.049 89 E CA 0.776 57.141 56.400 -0.060 0.000 0.870 89 E CB -0.481 29.170 29.700 -0.081 0.000 0.944 89 E HN 0.439 nan 8.360 nan 0.000 0.492 90 T N -2.087 112.448 114.554 -0.032 0.000 3.037 90 T HA 0.170 4.520 4.350 -0.000 0.000 0.251 90 T C 1.140 175.860 174.700 0.033 0.000 1.079 90 T CA -0.215 61.887 62.100 0.003 0.000 1.067 90 T CB -0.046 68.826 68.868 0.006 0.000 0.948 90 T HN -0.046 nan 8.240 nan 0.000 0.496 91 L N 2.154 123.376 121.223 -0.001 0.000 2.513 91 L HA 0.442 4.782 4.340 -0.000 0.000 0.272 91 L C 1.670 178.550 176.870 0.015 0.000 1.187 91 L CA 0.850 55.670 54.840 -0.034 0.000 0.895 91 L CB -0.014 41.954 42.059 -0.153 0.000 1.147 91 L HN 0.558 nan 8.230 nan 0.000 0.483 92 G N 1.961 110.796 108.800 0.058 0.000 2.179 92 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.260 92 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.260 92 G C 0.306 175.284 174.900 0.129 0.000 0.977 92 G CA -0.326 44.838 45.100 0.106 0.000 0.641 92 G HN 0.482 nan 8.290 nan 0.000 0.533 93 R N -0.285 120.259 120.500 0.073 0.000 2.787 93 R HA 0.794 5.134 4.340 -0.000 0.000 0.271 93 R C 0.099 176.399 176.300 -0.001 0.000 0.993 93 R CA -0.971 55.150 56.100 0.034 0.000 0.993 93 R CB 1.067 31.380 30.300 0.022 0.000 1.155 93 R HN 0.286 nan 8.270 nan 0.000 0.486 94 I N 2.272 122.805 120.570 -0.062 0.000 2.433 94 I HA 0.435 4.605 4.170 -0.000 0.000 0.292 94 I C 0.130 176.241 176.117 -0.010 0.000 1.001 94 I CA -0.445 60.824 61.300 -0.051 0.000 1.119 94 I CB 1.581 39.462 38.000 -0.199 0.000 1.289 94 I HN 0.225 nan 8.210 nan 0.000 0.438 95 M N 4.216 123.835 119.600 0.032 0.000 2.761 95 M HA 0.470 4.950 4.480 -0.000 0.000 0.305 95 M C -0.487 175.837 176.300 0.040 0.000 1.235 95 M CA -0.839 54.475 55.300 0.024 0.000 0.850 95 M CB 2.104 34.715 32.600 0.018 0.000 1.744 95 M HN 0.466 nan 8.290 nan 0.000 0.480 96 N N -0.119 118.596 118.700 0.026 0.000 2.566 96 N HA 0.307 5.047 4.740 -0.000 0.000 0.299 96 N C 1.046 176.565 175.510 0.015 0.000 1.277 96 N CA -0.263 52.804 53.050 0.028 0.000 0.965 96 N CB 0.666 39.164 38.487 0.017 0.000 1.142 96 N HN 0.579 nan 8.380 nan 0.000 0.596 97 V N -1.040 118.881 119.914 0.012 0.000 2.490 97 V HA -0.092 4.028 4.120 -0.000 0.000 0.250 97 V C 1.624 177.715 176.094 -0.005 0.000 1.061 97 V CA 1.522 63.822 62.300 0.001 0.000 1.064 97 V CB -0.944 30.884 31.823 0.008 0.000 0.670 97 V HN 0.666 nan 8.190 nan 0.000 0.461 98 I N -2.044 118.525 120.570 -0.001 0.000 3.855 98 I HA 0.671 4.841 4.170 -0.000 0.000 0.327 98 I C 1.501 177.615 176.117 -0.005 0.000 1.359 98 I CA 0.406 61.702 61.300 -0.007 0.000 1.142 98 I CB -0.329 37.665 38.000 -0.009 0.000 1.041 98 I HN 0.383 nan 8.210 nan 0.000 0.403 99 G N 1.355 110.158 108.800 0.004 0.000 2.189 99 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.267 99 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.267 99 G C 0.064 174.976 174.900 0.021 0.000 0.975 99 G CA 0.282 45.393 45.100 0.018 0.000 0.644 99 G HN 0.673 nan 8.290 nan 0.000 0.537 100 E N 2.362 122.567 120.200 0.009 0.000 2.415 100 E HA 0.247 4.597 4.350 -0.000 0.000 0.263 100 E C -1.992 174.612 176.600 0.007 0.000 0.995 100 E CA -1.120 55.284 56.400 0.007 0.000 0.915 100 E CB 0.800 30.500 29.700 -0.001 0.000 0.951 100 E HN 0.302 nan 8.360 nan 0.000 0.449 101 P HA -0.005 nan 4.420 nan 0.000 0.271 101 P C 0.111 177.402 177.300 -0.014 0.000 1.216 101 P CA 0.440 63.539 63.100 -0.002 0.000 0.771 101 P CB 0.398 32.102 31.700 0.006 0.000 0.864 102 I N -0.455 120.094 120.570 -0.035 0.000 3.947 102 I HA 0.216 4.386 4.170 -0.000 0.000 0.327 102 I C 0.505 176.571 176.117 -0.086 0.000 1.519 102 I CA -0.271 60.999 61.300 -0.049 0.000 1.122 102 I CB -0.004 37.966 38.000 -0.049 0.000 1.146 102 I HN 0.085 nan 8.210 nan 0.000 0.442 103 D N 0.937 121.286 120.400 -0.084 0.000 2.349 103 D HA -0.039 4.601 4.640 -0.000 0.000 0.214 103 D C 0.321 176.623 176.300 0.003 0.000 1.063 103 D CA -0.051 53.893 54.000 -0.094 0.000 0.847 103 D CB -0.153 40.574 40.800 -0.122 0.000 0.933 103 D HN 0.483 nan 8.370 nan 0.000 0.513 104 E N 0.069 120.270 120.200 0.001 0.000 2.297 104 E HA -0.238 4.112 4.350 -0.000 0.000 0.228 104 E C -0.333 176.286 176.600 0.032 0.000 1.213 104 E CA 0.246 56.657 56.400 0.018 0.000 0.712 104 E CB -1.284 28.430 29.700 0.023 0.000 1.202 104 E HN 0.390 nan 8.360 nan 0.000 0.376 105 R N 0.193 120.712 120.500 0.032 0.000 2.795 105 R HA 0.324 4.664 4.340 -0.000 0.000 0.320 105 R C 0.521 176.838 176.300 0.029 0.000 1.223 105 R CA 0.188 56.312 56.100 0.039 0.000 1.305 105 R CB 1.080 31.415 30.300 0.059 0.000 1.318 105 R HN 0.355 nan 8.270 nan 0.000 0.636 106 G N 2.037 110.851 108.800 0.023 0.000 2.804 106 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.230 106 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.230 106 G C -2.580 172.332 174.900 0.021 0.000 1.386 106 G CA -1.095 44.017 45.100 0.020 0.000 0.875 106 G HN 0.180 nan 8.290 nan 0.000 0.557 107 P HA 0.521 nan 4.420 nan 0.000 0.279 107 P C 0.035 177.355 177.300 0.034 0.000 1.252 107 P CA -0.608 62.511 63.100 0.031 0.000 0.811 107 P CB 0.622 32.344 31.700 0.035 0.000 1.035 108 I N 1.922 122.519 120.570 0.045 0.000 2.281 108 I HA 0.160 4.330 4.170 -0.000 0.000 0.293 108 I C 0.550 176.690 176.117 0.039 0.000 1.085 108 I CA -0.340 60.980 61.300 0.033 0.000 1.257 108 I CB 0.145 38.165 38.000 0.033 0.000 1.430 108 I HN 0.093 nan 8.210 nan 0.000 0.489 109 K N 6.077 126.483 120.400 0.010 0.000 2.171 109 K HA 0.207 4.527 4.320 -0.000 0.000 0.274 109 K C 0.063 176.616 176.600 -0.078 0.000 1.110 109 K CA -0.217 56.069 56.287 -0.002 0.000 0.952 109 K CB 0.172 32.673 32.500 0.002 0.000 1.309 109 K HN 0.593 nan 8.250 nan 0.000 0.414 110 T N -1.086 113.362 114.554 -0.177 0.000 2.918 110 T HA 0.308 4.657 4.350 -0.000 0.000 0.286 110 T C 0.801 175.234 174.700 -0.445 0.000 1.026 110 T CA -1.066 60.820 62.100 -0.357 0.000 1.031 110 T CB 2.086 70.629 68.868 -0.542 0.000 1.046 110 T HN 0.288 nan 8.240 nan 0.000 0.479 111 K N 0.201 120.396 120.400 -0.343 0.000 2.262 111 K HA 0.106 4.426 4.320 -0.000 0.000 0.200 111 K C 0.333 176.738 176.600 -0.324 0.000 1.049 111 K CA 0.520 56.663 56.287 -0.241 0.000 0.979 111 K CB 0.157 32.590 32.500 -0.111 0.000 0.773 111 K HN 0.506 nan 8.250 nan 0.000 0.474 112 Q N -0.447 119.084 119.800 -0.448 0.000 2.248 112 Q HA 0.452 4.792 4.340 -0.000 0.000 0.263 112 Q C -1.174 174.429 176.000 -0.662 0.000 1.007 112 Q CA -0.382 55.210 55.803 -0.353 0.000 0.877 112 Q CB 1.194 29.843 28.738 -0.149 0.000 1.315 112 Q HN -0.060 nan 8.270 nan 0.000 0.454 113 F N 0.447 120.372 119.950 -0.042 0.000 3.034 113 F HA 0.604 5.131 4.527 -0.000 0.000 0.371 113 F C -0.554 175.228 175.800 -0.031 0.000 1.233 113 F CA -0.884 57.086 58.000 -0.050 0.000 1.134 113 F CB 1.055 40.036 39.000 -0.033 0.000 1.495 113 F HN 0.593 nan 8.300 nan 0.000 0.563 114 A N 1.775 124.660 122.820 0.108 0.000 2.293 114 A HA 0.887 5.207 4.320 -0.000 0.000 0.302 114 A C -0.130 177.489 177.584 0.058 0.000 1.119 114 A CA -0.288 51.791 52.037 0.070 0.000 0.823 114 A CB 0.683 19.706 19.000 0.038 0.000 1.097 114 A HN 0.834 nan 8.150 nan 0.000 0.491 115 A N 0.955 123.803 122.820 0.047 0.000 2.327 115 A HA 0.497 4.817 4.320 -0.000 0.000 0.283 115 A C 1.036 178.618 177.584 -0.004 0.000 1.127 115 A CA -0.094 51.965 52.037 0.037 0.000 0.810 115 A CB -0.133 18.904 19.000 0.063 0.000 1.066 115 A HN 1.373 nan 8.150 nan 0.000 0.492 116 I N -1.186 119.350 120.570 -0.057 0.000 3.001 116 I HA 0.030 4.200 4.170 -0.000 0.000 0.268 116 I C 0.038 176.004 176.117 -0.252 0.000 1.267 116 I CA 0.578 61.777 61.300 -0.169 0.000 1.472 116 I CB -0.350 37.506 38.000 -0.239 0.000 1.089 116 I HN 0.445 nan 8.210 nan 0.000 0.468 117 H N 2.628 121.696 119.070 -0.004 0.000 2.541 117 H HA 0.781 5.337 4.556 -0.000 0.000 0.316 117 H C -0.560 174.764 175.328 -0.007 0.000 1.043 117 H CA -0.317 55.728 56.048 -0.005 0.000 1.232 117 H CB 1.571 31.333 29.762 0.000 0.000 1.406 117 H HN 0.398 nan 8.280 nan 0.000 0.469 118 A N 3.566 126.441 122.820 0.092 0.000 2.572 118 A HA 0.353 4.673 4.320 -0.000 0.000 0.295 118 A C -0.330 177.276 177.584 0.037 0.000 1.072 118 A CA -0.873 51.193 52.037 0.048 0.000 0.691 118 A CB 1.777 20.787 19.000 0.017 0.000 1.291 118 A HN 0.659 nan 8.150 nan 0.000 0.404 119 E N 0.819 121.034 120.200 0.026 0.000 2.383 119 E HA 0.424 4.774 4.350 -0.000 0.000 0.264 119 E C 0.471 177.077 176.600 0.009 0.000 1.050 119 E CA -0.035 56.377 56.400 0.020 0.000 0.896 119 E CB 1.167 30.877 29.700 0.017 0.000 0.982 119 E HN 0.807 nan 8.360 nan 0.000 0.424 120 A N 3.934 126.759 122.820 0.009 0.000 2.445 120 A HA 0.225 4.545 4.320 -0.000 0.000 0.242 120 A C -2.123 175.465 177.584 0.007 0.000 1.075 120 A CA -1.118 50.919 52.037 0.000 0.000 0.777 120 A CB -0.329 18.674 19.000 0.004 0.000 1.013 120 A HN 0.335 nan 8.150 nan 0.000 0.493 121 P HA 0.065 nan 4.420 nan 0.000 0.262 121 P C -0.136 177.176 177.300 0.019 0.000 1.182 121 P CA 0.244 63.343 63.100 -0.002 0.000 0.761 121 P CB 0.408 32.096 31.700 -0.020 0.000 0.795 122 E N 2.080 122.298 120.200 0.030 0.000 2.425 122 E HA -0.056 4.294 4.350 -0.000 0.000 0.258 122 E C 0.907 177.563 176.600 0.092 0.000 1.151 122 E CA -0.085 56.357 56.400 0.071 0.000 0.958 122 E CB 0.078 29.818 29.700 0.067 0.000 0.968 122 E HN 0.415 nan 8.360 nan 0.000 0.451 123 F N 2.025 121.975 119.950 -0.000 0.000 2.091 123 F HA -0.221 4.306 4.527 -0.000 0.000 0.299 123 F C 1.580 177.379 175.800 -0.001 0.000 1.103 123 F CA 1.595 59.595 58.000 0.001 0.000 1.228 123 F CB -0.051 38.950 39.000 0.002 0.000 0.984 123 F HN 0.237 nan 8.300 nan 0.000 0.477 124 V N -0.992 118.981 119.914 0.100 0.000 3.102 124 V HA 0.131 4.251 4.120 -0.000 0.000 0.371 124 V C 0.277 176.336 176.094 -0.059 0.000 1.414 124 V CA 0.776 63.074 62.300 -0.004 0.000 1.565 124 V CB -1.063 30.816 31.823 0.092 0.000 1.273 124 V HN 0.555 nan 8.190 nan 0.000 0.478 125 E N -0.698 119.430 120.200 -0.120 0.000 2.655 125 E HA 0.239 4.589 4.350 -0.000 0.000 0.212 125 E C 0.189 176.717 176.600 -0.120 0.000 0.927 125 E CA -0.487 55.860 56.400 -0.088 0.000 1.406 125 E CB 0.353 30.023 29.700 -0.050 0.000 1.385 125 E HN 0.502 nan 8.360 nan 0.000 0.748 126 M N 0.963 120.443 119.600 -0.199 0.000 2.245 126 M HA 0.217 4.697 4.480 -0.000 0.000 0.330 126 M C 0.546 176.751 176.300 -0.159 0.000 1.098 126 M CA 0.327 55.513 55.300 -0.190 0.000 1.172 126 M CB 0.743 33.176 32.600 -0.279 0.000 1.467 126 M HN -0.134 nan 8.290 nan 0.000 0.454 127 S N 0.379 116.012 115.700 -0.111 0.000 2.726 127 S HA 0.810 5.280 4.470 -0.000 0.000 0.308 127 S C -0.167 174.390 174.600 -0.073 0.000 1.115 127 S CA -0.656 57.494 58.200 -0.082 0.000 0.965 127 S CB 1.259 64.425 63.200 -0.056 0.000 1.145 127 S HN 0.627 nan 8.310 nan 0.000 0.532 128 V N 0.136 120.019 119.914 -0.052 0.000 2.947 128 V HA 0.534 4.654 4.120 -0.000 0.000 0.381 128 V C -0.584 175.497 176.094 -0.022 0.000 1.376 128 V CA -0.563 61.714 62.300 -0.038 0.000 1.292 128 V CB 0.487 32.288 31.823 -0.037 0.000 1.295 128 V HN 0.643 nan 8.190 nan 0.000 0.617 129 E N 2.227 122.415 120.200 -0.020 0.000 1.775 129 E HA 0.189 4.539 4.350 -0.000 0.000 0.266 129 E C -0.015 176.584 176.600 -0.002 0.000 1.191 129 E CA 0.123 56.518 56.400 -0.009 0.000 1.048 129 E CB 0.587 30.282 29.700 -0.009 0.000 1.081 129 E HN 0.549 nan 8.360 nan 0.000 0.434 130 Q N 1.896 121.697 119.800 0.001 0.000 3.004 130 Q HA 0.071 4.411 4.340 -0.000 0.000 0.256 130 Q C -0.384 175.627 176.000 0.017 0.000 1.387 130 Q CA 0.284 56.092 55.803 0.009 0.000 0.962 130 Q CB -0.150 28.592 28.738 0.006 0.000 1.676 130 Q HN 0.376 nan 8.270 nan 0.000 0.568 131 E N 1.308 121.521 120.200 0.022 0.000 2.158 131 E HA 0.351 4.701 4.350 -0.000 0.000 0.271 131 E C -0.259 176.368 176.600 0.046 0.000 0.911 131 E CA -0.582 55.837 56.400 0.032 0.000 0.767 131 E CB 2.318 32.035 29.700 0.028 0.000 1.120 131 E HN 0.395 nan 8.360 nan 0.000 0.405 132 I N 3.288 123.892 120.570 0.057 0.000 2.696 132 I HA 0.084 4.254 4.170 -0.000 0.000 0.284 132 I C -1.001 175.166 176.117 0.083 0.000 1.129 132 I CA -0.384 60.962 61.300 0.077 0.000 1.410 132 I CB 0.503 38.556 38.000 0.087 0.000 1.399 132 I HN 0.392 nan 8.210 nan 0.000 0.579 133 L N 8.375 129.662 121.223 0.108 0.000 2.342 133 L HA 0.427 4.767 4.340 -0.000 0.000 0.276 133 L C -0.949 175.982 176.870 0.101 0.000 0.997 133 L CA -0.387 54.521 54.840 0.113 0.000 0.838 133 L CB 1.366 43.513 42.059 0.146 0.000 1.224 133 L HN 0.336 nan 8.230 nan 0.000 0.416 134 V N 3.899 123.856 119.914 0.071 0.000 2.583 134 V HA 0.347 4.467 4.120 -0.000 0.000 0.287 134 V C 1.226 177.342 176.094 0.037 0.000 1.051 134 V CA 0.474 62.798 62.300 0.039 0.000 1.010 134 V CB 1.087 32.933 31.823 0.038 0.000 0.988 134 V HN 0.915 nan 8.190 nan 0.000 0.478 135 T N -1.004 113.546 114.554 -0.006 0.000 3.004 135 T HA 0.356 4.706 4.350 -0.000 0.000 0.266 135 T C 1.308 175.999 174.700 -0.015 0.000 0.986 135 T CA 0.665 62.767 62.100 0.004 0.000 0.902 135 T CB 0.683 69.539 68.868 -0.020 0.000 1.118 135 T HN 1.500 nan 8.240 nan 0.000 0.522 136 G N 2.034 110.825 108.800 -0.014 0.000 2.199 136 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.254 136 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.254 136 G C -0.001 174.905 174.900 0.010 0.000 0.982 136 G CA -0.000 45.099 45.100 -0.002 0.000 0.632 136 G HN 0.568 nan 8.290 nan 0.000 0.529 137 I N 1.661 122.232 120.570 0.001 0.000 2.337 137 I HA 0.230 4.400 4.170 -0.000 0.000 0.291 137 I C 1.578 177.701 176.117 0.010 0.000 1.046 137 I CA -0.209 61.127 61.300 0.061 0.000 1.324 137 I CB 0.879 38.932 38.000 0.087 0.000 1.409 137 I HN 0.116 nan 8.210 nan 0.000 0.494 138 K N 4.106 124.515 120.400 0.014 0.000 2.001 138 K HA -0.137 4.183 4.320 -0.000 0.000 0.214 138 K C 1.849 178.437 176.600 -0.020 0.000 1.050 138 K CA 1.364 57.650 56.287 -0.002 0.000 0.934 138 K CB -0.091 32.374 32.500 -0.059 0.000 0.718 138 K HN 0.466 nan 8.250 nan 0.000 0.443 139 V N 1.287 121.184 119.914 -0.029 0.000 2.231 139 V HA -0.297 3.823 4.120 -0.000 0.000 0.250 139 V C 2.383 178.433 176.094 -0.074 0.000 1.058 139 V CA 1.939 64.199 62.300 -0.067 0.000 1.022 139 V CB -0.703 31.101 31.823 -0.031 0.000 0.640 139 V HN 0.114 nan 8.190 nan 0.000 0.445 140 V N 0.465 120.335 119.914 -0.074 0.000 2.214 140 V HA -0.327 3.793 4.120 -0.000 0.000 0.247 140 V C 2.362 178.375 176.094 -0.135 0.000 1.051 140 V CA 2.519 64.724 62.300 -0.158 0.000 1.003 140 V CB -0.908 30.700 31.823 -0.360 0.000 0.635 140 V HN 0.569 nan 8.190 nan 0.000 0.447 141 D N -0.366 119.962 120.400 -0.120 0.000 2.190 141 D HA -0.184 4.456 4.640 -0.000 0.000 0.200 141 D C 1.908 178.268 176.300 0.100 0.000 0.992 141 D CA 1.520 55.506 54.000 -0.023 0.000 0.854 141 D CB -0.220 40.563 40.800 -0.029 0.000 0.936 141 D HN 0.375 nan 8.370 nan 0.000 0.462 142 L N -0.011 121.229 121.223 0.029 0.000 2.034 142 L HA -0.036 4.304 4.340 -0.000 0.000 0.203 142 L C 2.121 179.072 176.870 0.135 0.000 1.074 142 L CA 1.394 56.273 54.840 0.065 0.000 0.748 142 L CB -0.295 41.659 42.059 -0.175 0.000 0.905 142 L HN -0.039 nan 8.230 nan 0.000 0.439 143 L N -0.855 120.352 121.223 -0.026 0.000 2.269 143 L HA 0.288 4.628 4.340 -0.000 0.000 0.200 143 L C 1.051 177.902 176.870 -0.032 0.000 1.069 143 L CA 0.545 55.348 54.840 -0.061 0.000 0.804 143 L CB -0.404 41.593 42.059 -0.104 0.000 0.987 143 L HN 0.221 nan 8.230 nan 0.000 0.468 144 A N 1.244 124.059 122.820 -0.009 0.000 3.064 144 A HA 0.445 4.765 4.320 -0.000 0.000 0.339 144 A C -2.504 175.101 177.584 0.035 0.000 1.078 144 A CA -1.270 50.789 52.037 0.036 0.000 0.869 144 A CB -0.360 18.692 19.000 0.086 0.000 1.067 144 A HN -0.085 nan 8.150 nan 0.000 0.480 145 P HA 0.084 nan 4.420 nan 0.000 0.271 145 P C -0.598 176.799 177.300 0.162 0.000 1.226 145 P CA 0.369 63.495 63.100 0.043 0.000 0.765 145 P CB 0.541 32.288 31.700 0.078 0.000 0.835 146 Y N 2.025 122.356 120.300 0.053 0.000 2.279 146 Y HA 0.379 4.929 4.550 -0.000 0.000 0.350 146 Y C 1.238 177.155 175.900 0.027 0.000 1.288 146 Y CA -1.110 57.012 58.100 0.036 0.000 1.547 146 Y CB -0.170 38.310 38.460 0.034 0.000 1.381 146 Y HN 0.451 nan 8.280 nan 0.000 0.630 147 A N 0.913 123.842 122.820 0.181 0.000 2.435 147 A HA 0.529 4.849 4.320 -0.000 0.000 0.304 147 A C -0.809 176.804 177.584 0.049 0.000 1.064 147 A CA -1.141 50.950 52.037 0.090 0.000 0.727 147 A CB 0.971 20.003 19.000 0.053 0.000 1.284 147 A HN 0.662 nan 8.150 nan 0.000 0.415 148 K N 0.910 121.334 120.400 0.040 0.000 2.383 148 K HA 0.394 4.714 4.320 -0.000 0.000 0.286 148 K C 0.877 177.472 176.600 -0.008 0.000 1.051 148 K CA 1.024 57.322 56.287 0.018 0.000 0.974 148 K CB 0.502 33.020 32.500 0.030 0.000 0.968 148 K HN 1.617 nan 8.250 nan 0.000 0.475 149 G N 2.186 110.963 108.800 -0.038 0.000 2.182 149 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.248 149 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.248 149 G C 0.205 175.070 174.900 -0.058 0.000 1.042 149 G CA -0.116 44.953 45.100 -0.051 0.000 0.775 149 G HN 0.842 nan 8.290 nan 0.000 0.501 150 G N -0.860 107.896 108.800 -0.073 0.000 2.537 150 G HA2 0.661 4.621 3.960 -0.000 0.000 0.308 150 G HA3 0.661 4.621 3.960 -0.000 0.000 0.308 150 G C -0.267 174.560 174.900 -0.120 0.000 1.237 150 G CA -0.984 44.073 45.100 -0.072 0.000 0.968 150 G HN 0.333 nan 8.290 nan 0.000 0.481 151 K N 0.708 121.048 120.400 -0.100 0.000 2.276 151 K HA 0.390 4.710 4.320 -0.000 0.000 0.285 151 K C -0.604 175.908 176.600 -0.147 0.000 1.062 151 K CA 0.026 56.237 56.287 -0.126 0.000 0.918 151 K CB 1.521 33.977 32.500 -0.073 0.000 1.055 151 K HN 0.276 nan 8.250 nan 0.000 0.477 152 I N 1.021 121.451 120.570 -0.234 0.000 2.530 152 I HA 0.362 4.532 4.170 -0.000 0.000 0.297 152 I C 0.258 176.245 176.117 -0.217 0.000 1.011 152 I CA -0.819 60.298 61.300 -0.303 0.000 1.107 152 I CB 2.239 39.868 38.000 -0.619 0.000 1.285 152 I HN 0.641 nan 8.210 nan 0.000 0.436 153 G N 6.500 115.229 108.800 -0.117 0.000 2.702 153 G HA2 0.616 4.576 3.960 -0.000 0.000 0.295 153 G HA3 0.616 4.576 3.960 -0.000 0.000 0.295 153 G C -0.922 173.969 174.900 -0.016 0.000 1.446 153 G CA -0.447 44.569 45.100 -0.140 0.000 0.983 153 G HN 0.436 nan 8.290 nan 0.000 0.520 154 L N 3.072 124.247 121.223 -0.080 0.000 2.287 154 L HA 0.405 4.745 4.340 -0.000 0.000 0.280 154 L C -0.426 176.443 176.870 -0.003 0.000 1.055 154 L CA -0.623 54.257 54.840 0.067 0.000 0.863 154 L CB 0.139 42.253 42.059 0.091 0.000 1.245 154 L HN 0.320 nan 8.230 nan 0.000 0.432 155 F N 1.344 121.272 119.950 -0.037 0.000 2.406 155 F HA 0.676 5.203 4.527 0.000 0.000 0.327 155 F C 1.121 176.900 175.800 -0.034 0.000 1.153 155 F CA -0.115 57.839 58.000 -0.077 0.000 1.218 155 F CB 1.449 40.377 39.000 -0.121 0.000 1.215 155 F HN 0.427 nan 8.300 nan 0.000 0.570 156 G N 0.094 108.954 108.800 0.100 0.000 2.443 156 G HA2 0.471 4.431 3.960 -0.000 0.000 0.303 156 G HA3 0.471 4.431 3.960 -0.000 0.000 0.303 156 G C -0.811 174.025 174.900 -0.106 0.000 1.613 156 G CA -0.387 44.733 45.100 0.033 0.000 0.879 156 G HN 0.924 nan 8.290 nan 0.000 0.632 157 G N -0.336 108.386 108.800 -0.131 0.000 2.535 157 G HA2 0.715 4.675 3.960 -0.000 0.000 0.282 157 G HA3 0.715 4.675 3.960 -0.000 0.000 0.282 157 G C 0.786 175.625 174.900 -0.102 0.000 1.350 157 G CA 0.348 45.280 45.100 -0.280 0.000 1.039 157 G HN 1.824 nan 8.290 nan 0.000 0.509 158 A N -1.245 121.567 122.820 -0.012 0.000 2.522 158 A HA 0.491 4.811 4.320 -0.000 0.000 0.256 158 A C 1.606 179.272 177.584 0.136 0.000 1.086 158 A CA 1.122 53.320 52.037 0.268 0.000 0.763 158 A CB -0.730 18.442 19.000 0.287 0.000 1.024 158 A HN 2.538 nan 8.150 nan 0.000 0.502 159 G N 1.504 110.389 108.800 0.143 0.000 2.166 159 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.260 159 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.260 159 G C 0.775 175.726 174.900 0.084 0.000 0.986 159 G CA 0.585 45.739 45.100 0.090 0.000 0.683 159 G HN 1.190 nan 8.290 nan 0.000 0.527 160 V N -0.630 119.338 119.914 0.090 0.000 2.379 160 V HA 0.400 4.520 4.120 -0.000 0.000 0.245 160 V C 2.266 178.449 176.094 0.149 0.000 1.044 160 V CA 2.383 64.740 62.300 0.094 0.000 1.036 160 V CB -0.289 31.567 31.823 0.054 0.000 0.664 160 V HN 1.900 nan 8.190 nan 0.000 0.453 161 G N -0.704 108.179 108.800 0.137 0.000 2.363 161 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.213 161 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.213 161 G C 0.573 175.577 174.900 0.174 0.000 1.028 161 G CA 0.175 45.369 45.100 0.158 0.000 0.822 161 G HN 0.344 nan 8.290 nan 0.000 0.536 162 K N 0.035 120.529 120.400 0.157 0.000 2.032 162 K HA -0.075 4.245 4.320 -0.000 0.000 0.209 162 K C 2.521 179.226 176.600 0.174 0.000 1.048 162 K CA 1.968 58.351 56.287 0.159 0.000 0.927 162 K CB -0.264 32.317 32.500 0.135 0.000 0.712 162 K HN 0.271 nan 8.250 nan 0.000 0.441 163 T N 1.147 115.801 114.554 0.167 0.000 2.746 163 T HA -0.108 4.242 4.350 -0.000 0.000 0.267 163 T C 2.074 176.880 174.700 0.176 0.000 1.039 163 T CA 1.336 63.541 62.100 0.175 0.000 1.142 163 T CB -0.227 68.739 68.868 0.162 0.000 0.866 163 T HN -0.043 nan 8.240 nan 0.000 0.444 164 V N 1.453 121.476 119.914 0.182 0.000 2.358 164 V HA -0.092 4.028 4.120 -0.000 0.000 0.246 164 V C 2.391 178.636 176.094 0.251 0.000 1.047 164 V CA 1.104 63.531 62.300 0.210 0.000 1.035 164 V CB -0.742 31.220 31.823 0.231 0.000 0.658 164 V HN 0.294 nan 8.190 nan 0.000 0.452 165 L N 0.044 121.445 121.223 0.297 0.000 2.012 165 L HA -0.152 4.188 4.340 -0.000 0.000 0.210 165 L C 2.202 179.188 176.870 0.193 0.000 1.073 165 L CA 1.934 56.972 54.840 0.330 0.000 0.748 165 L CB -0.530 41.728 42.059 0.333 0.000 0.891 165 L HN 0.209 nan 8.230 nan 0.000 0.431 166 I N -1.404 119.282 120.570 0.194 0.000 2.226 166 I HA -0.327 3.843 4.170 -0.000 0.000 0.245 166 I C 2.378 178.545 176.117 0.084 0.000 1.100 166 I CA 1.094 62.509 61.300 0.191 0.000 1.374 166 I CB -0.345 37.799 38.000 0.240 0.000 1.057 166 I HN 0.307 nan 8.210 nan 0.000 0.413 167 M N 0.082 119.724 119.600 0.070 0.000 2.108 167 M HA -0.237 4.243 4.480 -0.000 0.000 0.261 167 M C 2.232 178.493 176.300 -0.064 0.000 1.066 167 M CA 1.740 57.038 55.300 -0.004 0.000 1.107 167 M CB -1.215 31.406 32.600 0.036 0.000 1.356 167 M HN 0.194 nan 8.290 nan 0.000 0.406 168 E N 0.747 120.890 120.200 -0.095 0.000 2.047 168 E HA -0.096 4.254 4.350 -0.000 0.000 0.191 168 E C 2.048 178.545 176.600 -0.173 0.000 0.987 168 E CA 1.183 57.426 56.400 -0.261 0.000 0.799 168 E CB -0.353 28.913 29.700 -0.724 0.000 0.752 168 E HN 0.496 nan 8.360 nan 0.000 0.449 169 L N 0.183 121.370 121.223 -0.060 0.000 2.046 169 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 169 L C 2.568 179.454 176.870 0.027 0.000 1.077 169 L CA 1.223 56.104 54.840 0.068 0.000 0.747 169 L CB -0.464 41.752 42.059 0.261 0.000 0.896 169 L HN 0.238 nan 8.230 nan 0.000 0.432 170 I N 0.008 120.494 120.570 -0.141 0.000 2.142 170 I HA -0.332 3.838 4.170 -0.000 0.000 0.240 170 I C 2.319 178.355 176.117 -0.136 0.000 1.078 170 I CA 1.828 62.935 61.300 -0.322 0.000 1.343 170 I CB -0.487 37.220 38.000 -0.489 0.000 1.046 170 I HN 0.369 nan 8.210 nan 0.000 0.405 171 N N 1.059 119.692 118.700 -0.113 0.000 2.137 171 N HA -0.207 4.533 4.740 -0.000 0.000 0.190 171 N C 1.461 176.945 175.510 -0.045 0.000 1.017 171 N CA 1.778 54.783 53.050 -0.076 0.000 0.859 171 N CB 0.043 38.482 38.487 -0.081 0.000 1.002 171 N HN 0.279 nan 8.380 nan 0.000 0.428 172 N N -0.444 118.233 118.700 -0.039 0.000 2.272 172 N HA -0.012 4.728 4.740 -0.000 0.000 0.195 172 N C 1.773 177.307 175.510 0.039 0.000 1.048 172 N CA 1.342 54.386 53.050 -0.009 0.000 0.912 172 N CB -0.903 37.572 38.487 -0.021 0.000 1.096 172 N HN -0.002 nan 8.380 nan 0.000 0.471 173 V N 1.864 121.825 119.914 0.077 0.000 2.214 173 V HA -0.218 3.902 4.120 -0.000 0.000 0.245 173 V C 2.446 178.629 176.094 0.149 0.000 1.047 173 V CA 2.206 64.582 62.300 0.125 0.000 0.998 173 V CB -1.356 30.573 31.823 0.177 0.000 0.633 173 V HN 0.386 nan 8.190 nan 0.000 0.446 174 A N -0.236 122.674 122.820 0.150 0.000 1.903 174 A HA -0.319 4.001 4.320 -0.000 0.000 0.219 174 A C 2.294 179.964 177.584 0.143 0.000 1.191 174 A CA 2.525 54.656 52.037 0.157 0.000 0.638 174 A CB -0.608 18.405 19.000 0.022 0.000 0.823 174 A HN 0.590 nan 8.150 nan 0.000 0.451 175 K N -0.785 119.656 120.400 0.068 0.000 2.097 175 K HA -0.007 4.313 4.320 -0.000 0.000 0.206 175 K C 1.417 178.055 176.600 0.064 0.000 1.049 175 K CA 1.085 57.401 56.287 0.048 0.000 0.933 175 K CB -0.222 32.285 32.500 0.012 0.000 0.717 175 K HN 0.421 nan 8.250 nan 0.000 0.442 176 A N 1.402 124.270 122.820 0.080 0.000 2.797 176 A HA 0.033 4.353 4.320 -0.000 0.000 0.287 176 A C -0.654 177.002 177.584 0.121 0.000 1.369 176 A CA -0.203 51.877 52.037 0.072 0.000 0.968 176 A CB -0.563 18.471 19.000 0.056 0.000 1.069 176 A HN 0.256 nan 8.150 nan 0.000 0.571 177 H N -0.571 118.516 119.070 0.027 0.000 2.638 177 H HA 0.527 5.083 4.556 -0.000 0.000 0.317 177 H C 0.396 175.723 175.328 -0.003 0.000 1.006 177 H CA -0.225 55.839 56.048 0.027 0.000 1.222 177 H CB 0.946 30.746 29.762 0.062 0.000 1.419 177 H HN 0.136 nan 8.280 nan 0.000 0.489 178 G N 3.505 112.055 108.800 -0.417 0.000 2.519 178 G HA2 0.512 4.472 3.960 -0.000 0.000 0.306 178 G HA3 0.512 4.472 3.960 -0.000 0.000 0.306 178 G C 0.098 174.558 174.900 -0.733 0.000 0.965 178 G CA 0.400 45.246 45.100 -0.422 0.000 1.291 178 G HN 0.984 nan 8.290 nan 0.000 0.450 179 G N 1.156 109.509 108.800 -0.745 0.000 2.344 179 G HA2 0.330 4.290 3.960 -0.000 0.000 0.282 179 G HA3 0.330 4.290 3.960 -0.000 0.000 0.282 179 G C -1.695 172.996 174.900 -0.349 0.000 1.281 179 G CA -0.916 43.783 45.100 -0.667 0.000 0.877 179 G HN 0.285 nan 8.290 nan 0.000 0.494 180 Y N 0.240 120.514 120.300 -0.044 0.000 2.453 180 Y HA 0.831 5.381 4.550 -0.000 0.000 0.326 180 Y C 0.793 176.739 175.900 0.078 0.000 1.186 180 Y CA -1.167 56.853 58.100 -0.133 0.000 1.200 180 Y CB 2.140 40.239 38.460 -0.602 0.000 1.247 180 Y HN 0.523 nan 8.280 nan 0.000 0.482 181 S N 0.354 116.199 115.700 0.241 0.000 2.569 181 S HA 0.779 5.249 4.470 -0.000 0.000 0.280 181 S C -1.439 173.308 174.600 0.245 0.000 1.111 181 S CA -0.803 57.555 58.200 0.264 0.000 0.887 181 S CB 2.158 65.545 63.200 0.311 0.000 1.095 181 S HN 0.271 nan 8.310 nan 0.000 0.476 182 V N 2.517 122.600 119.914 0.281 0.000 2.638 182 V HA 0.555 4.675 4.120 -0.000 0.000 0.306 182 V C -1.546 174.715 176.094 0.277 0.000 1.052 182 V CA -0.615 61.839 62.300 0.255 0.000 0.885 182 V CB 1.552 33.507 31.823 0.219 0.000 0.999 182 V HN 0.849 nan 8.190 nan 0.000 0.424 183 F N 4.207 124.212 119.950 0.091 0.000 2.460 183 F HA 0.800 5.327 4.527 -0.000 0.000 0.341 183 F C 0.197 175.919 175.800 -0.130 0.000 1.130 183 F CA -0.625 57.399 58.000 0.041 0.000 0.962 183 F CB 1.316 40.332 39.000 0.026 0.000 1.171 183 F HN 0.564 nan 8.300 nan 0.000 0.436 184 A N 4.648 127.225 122.820 -0.405 0.000 2.273 184 A HA 0.622 4.942 4.320 -0.000 0.000 0.320 184 A C 0.144 177.417 177.584 -0.520 0.000 1.358 184 A CA -0.325 51.488 52.037 -0.373 0.000 0.910 184 A CB 0.044 18.888 19.000 -0.260 0.000 1.159 184 A HN 1.014 nan 8.150 nan 0.000 0.526 185 G N 1.731 110.169 108.800 -0.602 0.000 2.391 185 G HA2 0.483 4.443 3.960 -0.000 0.000 0.305 185 G HA3 0.483 4.443 3.960 -0.000 0.000 0.305 185 G C -0.426 174.398 174.900 -0.125 0.000 1.072 185 G CA -0.090 44.798 45.100 -0.353 0.000 1.016 185 G HN 0.650 nan 8.290 nan 0.000 0.418 186 V N 2.617 122.489 119.914 -0.069 0.000 2.398 186 V HA 0.569 4.689 4.120 -0.000 0.000 0.286 186 V C 1.243 177.362 176.094 0.042 0.000 1.026 186 V CA 0.222 62.516 62.300 -0.009 0.000 0.868 186 V CB 1.123 32.932 31.823 -0.024 0.000 0.982 186 V HN 1.200 nan 8.190 nan 0.000 0.443 187 G N 3.487 112.319 108.800 0.054 0.000 2.441 187 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.298 187 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.298 187 G C 0.192 175.127 174.900 0.058 0.000 0.949 187 G CA 0.576 45.705 45.100 0.048 0.000 1.072 187 G HN 0.645 nan 8.290 nan 0.000 0.512 188 E N -0.831 119.429 120.200 0.100 0.000 2.586 188 E HA 0.416 4.766 4.350 -0.000 0.000 0.232 188 E C 0.792 177.454 176.600 0.103 0.000 0.854 188 E CA -0.989 55.473 56.400 0.103 0.000 0.938 188 E CB 0.663 30.453 29.700 0.151 0.000 1.518 188 E HN 0.368 nan 8.360 nan 0.000 0.400 189 R N 0.553 121.115 120.500 0.103 0.000 2.296 189 R HA 0.199 4.539 4.340 -0.000 0.000 0.323 189 R C 1.017 177.364 176.300 0.078 0.000 1.067 189 R CA 0.066 56.213 56.100 0.077 0.000 0.946 189 R CB 0.234 30.576 30.300 0.070 0.000 0.991 189 R HN 0.414 nan 8.270 nan 0.000 0.448 190 T N 3.114 117.692 114.554 0.040 0.000 2.759 190 T HA -0.228 4.122 4.350 -0.000 0.000 0.269 190 T C 1.811 176.485 174.700 -0.044 0.000 1.042 190 T CA 1.847 63.934 62.100 -0.022 0.000 1.140 190 T CB -0.128 68.720 68.868 -0.033 0.000 0.864 190 T HN 0.642 nan 8.240 nan 0.000 0.455 191 R N 1.789 122.290 120.500 0.002 0.000 2.096 191 R HA -0.073 4.267 4.340 -0.000 0.000 0.235 191 R C 2.029 178.343 176.300 0.022 0.000 1.127 191 R CA 1.751 57.859 56.100 0.014 0.000 0.968 191 R CB -0.463 29.856 30.300 0.032 0.000 0.861 191 R HN 0.405 nan 8.270 nan 0.000 0.440 192 E N 0.530 120.757 120.200 0.046 0.000 2.077 192 E HA -0.127 4.223 4.350 -0.000 0.000 0.193 192 E C 2.189 178.812 176.600 0.037 0.000 0.989 192 E CA 1.258 57.700 56.400 0.070 0.000 0.800 192 E CB -0.259 29.516 29.700 0.125 0.000 0.746 192 E HN 0.673 nan 8.360 nan 0.000 0.452 193 G N 1.268 110.063 108.800 -0.007 0.000 2.408 193 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.217 193 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.217 193 G C 1.431 176.201 174.900 -0.217 0.000 1.150 193 G CA 0.973 45.953 45.100 -0.199 0.000 0.776 193 G HN 0.189 nan 8.290 nan 0.000 0.542 194 N N 1.010 119.625 118.700 -0.141 0.000 2.166 194 N HA -0.090 4.650 4.740 -0.000 0.000 0.186 194 N C 1.587 177.145 175.510 0.080 0.000 1.019 194 N CA 1.694 54.718 53.050 -0.042 0.000 0.856 194 N CB -0.175 38.330 38.487 0.029 0.000 0.993 194 N HN 0.182 nan 8.380 nan 0.000 0.426 195 D N -0.010 120.429 120.400 0.065 0.000 2.103 195 D HA -0.113 4.527 4.640 -0.000 0.000 0.199 195 D C 1.953 178.277 176.300 0.039 0.000 0.978 195 D CA 0.538 54.590 54.000 0.086 0.000 0.829 195 D CB -0.581 40.250 40.800 0.052 0.000 0.981 195 D HN 0.238 nan 8.370 nan 0.000 0.464 196 L N 0.472 121.681 121.223 -0.022 0.000 1.990 196 L HA -0.238 4.102 4.340 -0.000 0.000 0.213 196 L C 2.332 179.185 176.870 -0.029 0.000 1.072 196 L CA 1.624 56.412 54.840 -0.087 0.000 0.755 196 L CB -0.948 40.980 42.059 -0.218 0.000 0.889 196 L HN 0.005 nan 8.230 nan 0.000 0.432 197 Y N 0.321 120.508 120.300 -0.189 0.000 2.069 197 Y HA -0.350 4.200 4.550 -0.000 0.000 0.278 197 Y C 2.709 178.490 175.900 -0.198 0.000 1.175 197 Y CA 2.407 60.373 58.100 -0.225 0.000 1.134 197 Y CB -0.939 37.307 38.460 -0.356 0.000 0.965 197 Y HN 0.502 nan 8.280 nan 0.000 0.498 198 H N -0.962 118.049 119.070 -0.100 0.000 2.423 198 H HA -0.100 4.456 4.556 -0.000 0.000 0.297 198 H C 2.297 177.543 175.328 -0.136 0.000 1.075 198 H CA 1.272 57.209 56.048 -0.184 0.000 1.342 198 H CB -0.055 29.645 29.762 -0.103 0.000 1.395 198 H HN 0.481 nan 8.280 nan 0.000 0.530 199 E N 0.582 120.792 120.200 0.016 0.000 2.077 199 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 199 E C 1.740 178.311 176.600 -0.048 0.000 0.989 199 E CA 1.006 57.395 56.400 -0.019 0.000 0.800 199 E CB 0.157 29.839 29.700 -0.031 0.000 0.746 199 E HN 0.339 nan 8.360 nan 0.000 0.452 200 M N 0.423 119.985 119.600 -0.064 0.000 2.159 200 M HA -0.134 4.346 4.480 -0.000 0.000 0.263 200 M C 2.367 178.623 176.300 -0.073 0.000 1.063 200 M CA 1.205 56.471 55.300 -0.058 0.000 1.110 200 M CB -0.752 31.832 32.600 -0.028 0.000 1.374 200 M HN 0.240 nan 8.290 nan 0.000 0.411 201 I N -0.290 120.203 120.570 -0.127 0.000 2.394 201 I HA -0.250 3.920 4.170 -0.000 0.000 0.251 201 I C 2.524 178.596 176.117 -0.074 0.000 1.136 201 I CA 1.081 62.303 61.300 -0.131 0.000 1.425 201 I CB -0.381 37.492 38.000 -0.211 0.000 1.079 201 I HN 0.410 nan 8.210 nan 0.000 0.425 202 E N 1.018 121.183 120.200 -0.058 0.000 2.072 202 E HA -0.192 4.158 4.350 -0.000 0.000 0.190 202 E C 2.218 178.796 176.600 -0.036 0.000 0.982 202 E CA 1.539 57.914 56.400 -0.042 0.000 0.803 202 E CB 0.122 29.802 29.700 -0.034 0.000 0.755 202 E HN 0.491 nan 8.360 nan 0.000 0.453 203 S N -1.129 114.550 115.700 -0.036 0.000 2.489 203 S HA 0.097 4.567 4.470 -0.000 0.000 0.228 203 S C 1.669 176.255 174.600 -0.023 0.000 0.995 203 S CA 0.708 58.892 58.200 -0.028 0.000 0.934 203 S CB 0.290 63.473 63.200 -0.029 0.000 0.771 203 S HN 0.511 nan 8.310 nan 0.000 0.522 204 G N 0.684 109.467 108.800 -0.028 0.000 2.176 204 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.253 204 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.253 204 G C 0.914 175.808 174.900 -0.010 0.000 0.979 204 G CA 0.589 45.676 45.100 -0.021 0.000 0.641 204 G HN 1.382 nan 8.290 nan 0.000 0.530 205 V N -1.899 118.011 119.914 -0.006 0.000 2.759 205 V HA 0.307 4.427 4.120 -0.000 0.000 0.256 205 V C 1.094 177.199 176.094 0.019 0.000 1.080 205 V CA 1.243 63.551 62.300 0.013 0.000 1.101 205 V CB -0.225 31.609 31.823 0.018 0.000 0.698 205 V HN 0.374 nan 8.190 nan 0.000 0.477 206 I N 2.561 123.132 120.570 0.001 0.000 2.420 206 I HA 0.523 4.693 4.170 -0.000 0.000 0.282 206 I C -0.604 175.501 176.117 -0.021 0.000 1.019 206 I CA -0.311 60.994 61.300 0.008 0.000 1.130 206 I CB 0.893 38.902 38.000 0.015 0.000 1.262 206 I HN 0.260 nan 8.210 nan 0.000 0.454 207 N N 5.873 124.570 118.700 -0.004 0.000 2.405 207 N HA 0.464 5.204 4.740 -0.000 0.000 0.299 207 N C 0.361 175.868 175.510 -0.005 0.000 1.075 207 N CA -0.415 52.628 53.050 -0.012 0.000 0.884 207 N CB 2.199 40.685 38.487 -0.002 0.000 1.194 207 N HN 0.476 nan 8.380 nan 0.000 0.491 208 L N 1.540 122.755 121.223 -0.014 0.000 2.616 208 L HA 0.226 4.566 4.340 -0.000 0.000 0.229 208 L C 1.358 178.230 176.870 0.003 0.000 1.110 208 L CA 0.192 55.030 54.840 -0.002 0.000 0.884 208 L CB 0.072 42.122 42.059 -0.015 0.000 1.115 208 L HN 0.358 nan 8.230 nan 0.000 0.481 209 K N -0.370 120.030 120.400 -0.000 0.000 2.557 209 K HA 0.231 4.551 4.320 -0.000 0.000 0.246 209 K C 0.048 176.651 176.600 0.005 0.000 1.206 209 K CA -0.075 56.213 56.287 0.002 0.000 0.820 209 K CB -0.126 32.373 32.500 -0.002 0.000 1.588 209 K HN -0.019 nan 8.250 nan 0.000 0.409 210 D N 1.965 122.367 120.400 0.003 0.000 2.443 210 D HA 0.091 4.731 4.640 -0.000 0.000 0.239 210 D C -0.229 176.077 176.300 0.010 0.000 1.136 210 D CA 0.218 54.221 54.000 0.006 0.000 0.879 210 D CB 0.911 41.713 40.800 0.004 0.000 1.195 210 D HN 0.218 nan 8.370 nan 0.000 0.443 211 A N 2.087 124.915 122.820 0.013 0.000 2.981 211 A HA 0.192 4.512 4.320 -0.000 0.000 0.280 211 A C 0.991 178.589 177.584 0.024 0.000 1.743 211 A CA -0.283 51.764 52.037 0.017 0.000 1.430 211 A CB -0.677 18.334 19.000 0.018 0.000 1.085 211 A HN 0.529 nan 8.150 nan 0.000 0.597 212 T N -2.311 112.256 114.554 0.022 0.000 3.288 212 T HA 0.265 4.615 4.350 -0.000 0.000 0.293 212 T C 0.217 174.938 174.700 0.034 0.000 1.008 212 T CA -0.119 61.998 62.100 0.028 0.000 0.929 212 T CB -0.203 68.675 68.868 0.016 0.000 1.152 212 T HN 0.273 nan 8.240 nan 0.000 0.517 213 S N 1.902 117.620 115.700 0.030 0.000 2.523 213 S HA 0.460 4.930 4.470 -0.000 0.000 0.275 213 S C 0.413 175.036 174.600 0.039 0.000 1.281 213 S CA -0.727 57.491 58.200 0.030 0.000 1.050 213 S CB 1.276 64.490 63.200 0.022 0.000 0.937 213 S HN 0.230 nan 8.310 nan 0.000 0.492 214 K N 1.412 121.852 120.400 0.067 0.000 2.506 214 K HA 0.353 4.673 4.320 -0.000 0.000 0.204 214 K C -0.975 175.681 176.600 0.092 0.000 1.045 214 K CA 0.110 56.480 56.287 0.138 0.000 1.074 214 K CB 0.970 33.580 32.500 0.183 0.000 0.842 214 K HN 0.405 nan 8.250 nan 0.000 0.514 215 V N 0.746 120.693 119.914 0.055 0.000 2.638 215 V HA 0.730 4.850 4.120 -0.000 0.000 0.306 215 V C -0.830 175.316 176.094 0.087 0.000 1.052 215 V CA -1.424 60.931 62.300 0.091 0.000 0.885 215 V CB 1.802 33.692 31.823 0.111 0.000 0.999 215 V HN 0.126 nan 8.190 nan 0.000 0.424 216 A N 5.507 128.403 122.820 0.128 0.000 2.317 216 A HA 0.917 5.237 4.320 -0.000 0.000 0.327 216 A C -0.910 176.766 177.584 0.154 0.000 1.178 216 A CA -0.501 51.621 52.037 0.140 0.000 0.817 216 A CB 0.778 19.905 19.000 0.211 0.000 1.189 216 A HN 0.794 nan 8.150 nan 0.000 0.489 217 L N 2.547 123.847 121.223 0.128 0.000 2.346 217 L HA 0.692 5.032 4.340 -0.000 0.000 0.276 217 L C -0.908 176.022 176.870 0.100 0.000 1.006 217 L CA -0.873 54.056 54.840 0.150 0.000 0.817 217 L CB 1.946 44.128 42.059 0.205 0.000 1.272 217 L HN 0.431 nan 8.230 nan 0.000 0.421 218 V N 2.659 122.576 119.914 0.005 0.000 2.760 218 V HA 0.543 4.663 4.120 -0.000 0.000 0.309 218 V C -1.320 174.671 176.094 -0.172 0.000 1.077 218 V CA -0.663 61.624 62.300 -0.022 0.000 0.910 218 V CB 2.253 34.041 31.823 -0.058 0.000 1.008 218 V HN 0.485 nan 8.190 nan 0.000 0.424 219 Y N 0.837 121.148 120.300 0.018 0.000 2.588 219 Y HA 0.797 5.346 4.550 -0.000 0.000 0.343 219 Y C 0.465 176.372 175.900 0.011 0.000 1.065 219 Y CA -0.564 57.553 58.100 0.027 0.000 1.038 219 Y CB 2.896 41.364 38.460 0.014 0.000 1.297 219 Y HN 0.726 nan 8.280 nan 0.000 0.467 220 G N 2.278 111.197 108.800 0.197 0.000 3.967 220 G HA2 0.203 4.163 3.960 -0.000 0.000 0.275 220 G HA3 0.203 4.163 3.960 -0.000 0.000 0.275 220 G C -1.285 173.682 174.900 0.112 0.000 3.717 220 G CA -0.677 44.489 45.100 0.111 0.000 0.565 220 G HN 0.231 nan 8.290 nan 0.000 0.255 221 Q N 0.867 120.748 119.800 0.134 0.000 2.414 221 Q HA 0.342 4.682 4.340 -0.000 0.000 0.206 221 Q C 2.055 178.090 176.000 0.059 0.000 1.058 221 Q CA -0.578 55.293 55.803 0.114 0.000 1.025 221 Q CB 0.579 29.385 28.738 0.113 0.000 1.196 221 Q HN 0.529 nan 8.270 nan 0.000 0.586 222 M N 0.702 120.330 119.600 0.046 0.000 2.255 222 M HA -0.268 4.212 4.480 -0.000 0.000 0.259 222 M C 1.477 177.786 176.300 0.015 0.000 1.071 222 M CA 2.095 57.408 55.300 0.022 0.000 1.074 222 M CB -0.698 31.912 32.600 0.016 0.000 1.384 222 M HN 0.627 nan 8.290 nan 0.000 0.415 223 N N -0.023 118.688 118.700 0.019 0.000 2.270 223 N HA -0.069 4.671 4.740 -0.000 0.000 0.181 223 N C 0.327 175.843 175.510 0.010 0.000 1.016 223 N CA 0.628 53.686 53.050 0.012 0.000 0.870 223 N CB -0.211 38.282 38.487 0.011 0.000 0.979 223 N HN 0.164 nan 8.380 nan 0.000 0.431 224 E N 1.728 121.938 120.200 0.016 0.000 2.398 224 E HA 0.137 4.487 4.350 -0.000 0.000 0.263 224 E C -2.044 174.558 176.600 0.003 0.000 1.046 224 E CA -1.716 54.691 56.400 0.012 0.000 0.908 224 E CB 0.199 29.912 29.700 0.022 0.000 0.963 224 E HN 0.329 nan 8.360 nan 0.000 0.431 225 P HA 0.052 nan 4.420 nan 0.000 0.272 225 P C -1.900 175.390 177.300 -0.016 0.000 1.240 225 P CA -1.126 61.969 63.100 -0.009 0.000 0.791 225 P CB 0.227 31.923 31.700 -0.007 0.000 0.978 226 P HA -0.269 nan 4.420 nan 0.000 0.220 226 P C 1.646 178.920 177.300 -0.043 0.000 1.155 226 P CA 2.350 65.423 63.100 -0.046 0.000 0.880 226 P CB -0.785 30.883 31.700 -0.053 0.000 0.790 227 G N 0.443 109.227 108.800 -0.026 0.000 2.459 227 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.217 227 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.217 227 G C 1.898 176.797 174.900 -0.002 0.000 1.183 227 G CA 1.582 46.674 45.100 -0.014 0.000 0.776 227 G HN 0.420 nan 8.290 nan 0.000 0.552 228 A N 0.722 123.544 122.820 0.004 0.000 1.858 228 A HA -0.043 4.277 4.320 -0.000 0.000 0.216 228 A C 2.442 180.038 177.584 0.020 0.000 1.190 228 A CA 1.775 53.821 52.037 0.015 0.000 0.617 228 A CB -0.473 18.537 19.000 0.016 0.000 0.827 228 A HN 0.354 nan 8.150 nan 0.000 0.443 229 R N -0.620 119.885 120.500 0.010 0.000 2.127 229 R HA -0.075 4.265 4.340 -0.000 0.000 0.238 229 R C 1.891 178.209 176.300 0.030 0.000 1.134 229 R CA 1.052 57.161 56.100 0.014 0.000 0.975 229 R CB -0.381 29.912 30.300 -0.011 0.000 0.865 229 R HN 0.486 nan 8.270 nan 0.000 0.447 230 A N 0.357 123.168 122.820 -0.015 0.000 2.276 230 A HA 0.078 4.398 4.320 -0.000 0.000 0.212 230 A C 1.292 178.947 177.584 0.118 0.000 1.230 230 A CA 0.299 52.293 52.037 -0.071 0.000 0.844 230 A CB 0.194 19.078 19.000 -0.193 0.000 0.860 230 A HN 0.079 nan 8.150 nan 0.000 0.486 231 R N -1.879 118.702 120.500 0.136 0.000 2.702 231 R HA 0.033 4.373 4.340 -0.000 0.000 0.223 231 R C 1.754 178.082 176.300 0.045 0.000 0.953 231 R CA 1.265 57.433 56.100 0.114 0.000 1.068 231 R CB -0.758 29.575 30.300 0.054 0.000 1.600 231 R HN 0.440 nan 8.270 nan 0.000 0.602 232 V N -0.089 119.848 119.914 0.039 0.000 2.370 232 V HA -0.191 3.929 4.120 -0.000 0.000 0.252 232 V C 2.313 178.375 176.094 -0.054 0.000 1.068 232 V CA 2.184 64.480 62.300 -0.007 0.000 1.061 232 V CB -1.312 30.512 31.823 0.002 0.000 0.656 232 V HN 0.159 nan 8.190 nan 0.000 0.455 233 A N 1.034 123.824 122.820 -0.050 0.000 1.877 233 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 233 A C 2.265 179.729 177.584 -0.199 0.000 1.186 233 A CA 2.245 54.182 52.037 -0.166 0.000 0.620 233 A CB -0.657 18.170 19.000 -0.288 0.000 0.822 233 A HN 0.592 nan 8.150 nan 0.000 0.443 234 L N -0.834 120.284 121.223 -0.174 0.000 2.046 234 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 234 L C 2.792 179.567 176.870 -0.157 0.000 1.077 234 L CA 1.712 56.436 54.840 -0.193 0.000 0.747 234 L CB -1.242 40.688 42.059 -0.215 0.000 0.896 234 L HN 0.342 nan 8.230 nan 0.000 0.432 235 T N 0.066 114.548 114.554 -0.121 0.000 2.622 235 T HA -0.171 4.179 4.350 -0.000 0.000 0.266 235 T C 1.871 176.517 174.700 -0.090 0.000 1.047 235 T CA 1.624 63.668 62.100 -0.093 0.000 1.159 235 T CB -0.742 68.090 68.868 -0.060 0.000 0.863 235 T HN 0.561 nan 8.240 nan 0.000 0.422 236 G N 1.276 110.018 108.800 -0.097 0.000 2.432 236 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.219 236 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.219 236 G C 1.540 176.387 174.900 -0.089 0.000 1.135 236 G CA 0.853 45.900 45.100 -0.089 0.000 0.767 236 G HN 0.418 nan 8.290 nan 0.000 0.550 237 L N 1.100 122.250 121.223 -0.121 0.000 2.027 237 L HA 0.009 4.349 4.340 -0.000 0.000 0.206 237 L C 2.801 179.615 176.870 -0.094 0.000 1.074 237 L CA 2.701 57.468 54.840 -0.122 0.000 0.745 237 L CB -1.193 40.768 42.059 -0.163 0.000 0.898 237 L HN 0.161 nan 8.230 nan 0.000 0.433 238 T N -0.593 113.901 114.554 -0.099 0.000 2.684 238 T HA -0.193 4.157 4.350 -0.000 0.000 0.267 238 T C 2.002 176.642 174.700 -0.100 0.000 1.036 238 T CA 1.827 63.876 62.100 -0.086 0.000 1.148 238 T CB -0.634 68.183 68.868 -0.084 0.000 0.863 238 T HN 0.246 nan 8.240 nan 0.000 0.436 239 V N 1.794 121.638 119.914 -0.116 0.000 2.332 239 V HA -0.211 3.909 4.120 -0.000 0.000 0.248 239 V C 2.902 178.870 176.094 -0.211 0.000 1.055 239 V CA 1.774 63.958 62.300 -0.193 0.000 1.038 239 V CB -1.297 30.480 31.823 -0.077 0.000 0.651 239 V HN 0.565 nan 8.190 nan 0.000 0.450 240 A N -0.371 122.437 122.820 -0.020 0.000 1.873 240 A HA -0.222 4.098 4.320 -0.000 0.000 0.215 240 A C 2.164 179.779 177.584 0.051 0.000 1.186 240 A CA 1.712 53.815 52.037 0.109 0.000 0.616 240 A CB -0.506 18.535 19.000 0.068 0.000 0.823 240 A HN 0.613 nan 8.150 nan 0.000 0.442 241 E N -1.448 118.742 120.200 -0.017 0.000 2.114 241 E HA -0.286 4.064 4.350 -0.000 0.000 0.199 241 E C 1.835 178.421 176.600 -0.024 0.000 1.008 241 E CA 1.763 58.151 56.400 -0.020 0.000 0.810 241 E CB -0.417 29.262 29.700 -0.035 0.000 0.739 241 E HN 0.789 nan 8.360 nan 0.000 0.456 242 Y N 0.727 120.894 120.300 -0.221 0.000 2.049 242 Y HA -0.308 4.242 4.550 -0.000 0.000 0.277 242 Y C 2.037 177.849 175.900 -0.148 0.000 1.143 242 Y CA 1.916 59.855 58.100 -0.269 0.000 1.115 242 Y CB -0.435 37.727 38.460 -0.496 0.000 0.975 242 Y HN -0.063 nan 8.280 nan 0.000 0.487 243 F N 0.410 120.512 119.950 0.253 0.000 2.126 243 F HA -0.203 4.324 4.527 -0.000 0.000 0.299 243 F C 2.721 178.567 175.800 0.077 0.000 1.096 243 F CA 1.839 59.968 58.000 0.216 0.000 1.255 243 F CB -1.193 37.999 39.000 0.320 0.000 0.997 243 F HN 0.045 nan 8.300 nan 0.000 0.479 244 R N 0.465 121.093 120.500 0.212 0.000 2.082 244 R HA -0.165 4.175 4.340 -0.000 0.000 0.234 244 R C 1.712 178.025 176.300 0.022 0.000 1.136 244 R CA 2.250 58.410 56.100 0.101 0.000 0.935 244 R CB -0.380 29.953 30.300 0.054 0.000 0.842 244 R HN 0.202 nan 8.270 nan 0.000 0.430 245 D N -0.094 120.282 120.400 -0.040 0.000 2.278 245 D HA -0.078 4.562 4.640 -0.000 0.000 0.228 245 D C 2.004 178.222 176.300 -0.137 0.000 1.020 245 D CA 0.607 54.558 54.000 -0.082 0.000 0.922 245 D CB -0.568 40.177 40.800 -0.092 0.000 1.051 245 D HN 0.147 nan 8.370 nan 0.000 0.452 246 Q N 0.569 120.197 119.800 -0.286 0.000 2.449 246 Q HA -0.122 4.218 4.340 -0.000 0.000 0.214 246 Q C 0.868 176.710 176.000 -0.263 0.000 0.986 246 Q CA 1.085 56.647 55.803 -0.402 0.000 0.893 246 Q CB -0.083 28.106 28.738 -0.915 0.000 0.940 246 Q HN 0.572 nan 8.270 nan 0.000 0.477 247 E N -2.171 117.956 120.200 -0.121 0.000 2.702 247 E HA 0.195 4.545 4.350 -0.000 0.000 0.225 247 E C 0.698 177.325 176.600 0.045 0.000 0.942 247 E CA 0.257 56.676 56.400 0.032 0.000 1.210 247 E CB 0.912 30.750 29.700 0.230 0.000 1.143 247 E HN 0.307 nan 8.360 nan 0.000 0.544 248 G N 2.199 111.013 108.800 0.022 0.000 2.225 248 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.272 248 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.272 248 G C 0.372 175.291 174.900 0.032 0.000 0.996 248 G CA 0.593 45.704 45.100 0.019 0.000 0.710 248 G HN 0.166 nan 8.290 nan 0.000 0.522 249 Q N 0.764 120.607 119.800 0.072 0.000 2.332 249 Q HA 0.175 4.515 4.340 -0.000 0.000 0.263 249 Q C -0.245 175.804 176.000 0.081 0.000 0.979 249 Q CA -0.041 55.776 55.803 0.024 0.000 0.885 249 Q CB 0.598 29.339 28.738 0.004 0.000 1.218 249 Q HN 0.324 nan 8.270 nan 0.000 0.405 250 D N 2.193 122.632 120.400 0.064 0.000 2.349 250 D HA 0.082 4.722 4.640 -0.000 0.000 0.266 250 D C -0.363 176.071 176.300 0.222 0.000 1.293 250 D CA 0.154 54.238 54.000 0.140 0.000 0.926 250 D CB 0.406 41.327 40.800 0.201 0.000 1.090 250 D HN 0.087 nan 8.370 nan 0.000 0.502 251 V N 3.423 123.429 119.914 0.153 0.000 2.567 251 V HA 0.293 4.413 4.120 -0.000 0.000 0.289 251 V C 0.592 176.685 176.094 -0.002 0.000 1.049 251 V CA -0.790 61.607 62.300 0.162 0.000 0.969 251 V CB 1.451 33.400 31.823 0.210 0.000 0.995 251 V HN 0.332 nan 8.190 nan 0.000 0.471 252 L N 5.178 126.384 121.223 -0.029 0.000 2.294 252 L HA 0.469 4.809 4.340 -0.000 0.000 0.283 252 L C -0.814 175.976 176.870 -0.134 0.000 1.015 252 L CA -0.542 54.183 54.840 -0.191 0.000 0.831 252 L CB 1.510 43.503 42.059 -0.110 0.000 1.217 252 L HN 0.461 nan 8.230 nan 0.000 0.420 253 L N 4.398 125.430 121.223 -0.318 0.000 2.272 253 L HA 0.549 4.889 4.340 -0.000 0.000 0.289 253 L C -1.150 175.436 176.870 -0.474 0.000 1.032 253 L CA 0.222 54.921 54.840 -0.234 0.000 0.810 253 L CB 0.781 42.730 42.059 -0.183 0.000 1.205 253 L HN 0.178 nan 8.230 nan 0.000 0.422 254 F N 6.099 125.949 119.950 -0.167 0.000 2.449 254 F HA 0.593 5.120 4.527 -0.000 0.000 0.342 254 F C -0.083 175.350 175.800 -0.611 0.000 1.127 254 F CA -0.454 57.376 58.000 -0.284 0.000 0.975 254 F CB 1.404 40.345 39.000 -0.099 0.000 1.146 254 F HN 0.234 nan 8.300 nan 0.000 0.444 255 I N 2.737 123.087 120.570 -0.366 0.000 2.498 255 I HA 0.408 4.578 4.170 -0.000 0.000 0.290 255 I C -1.399 174.518 176.117 -0.334 0.000 1.032 255 I CA -0.613 60.427 61.300 -0.434 0.000 1.073 255 I CB 2.219 40.043 38.000 -0.293 0.000 1.251 255 I HN 0.422 nan 8.210 nan 0.000 0.426 256 D N 5.248 125.448 120.400 -0.333 0.000 2.613 256 D HA 0.220 4.860 4.640 -0.000 0.000 0.230 256 D C -1.472 174.816 176.300 -0.019 0.000 1.365 256 D CA -0.356 53.587 54.000 -0.095 0.000 0.976 256 D CB 1.323 42.146 40.800 0.038 0.000 1.415 256 D HN 0.398 nan 8.370 nan 0.000 0.589 257 N N 4.084 122.801 118.700 0.027 0.000 2.321 257 N HA 0.205 4.945 4.740 -0.000 0.000 0.299 257 N C 0.640 176.177 175.510 0.045 0.000 1.048 257 N CA -0.518 52.563 53.050 0.053 0.000 0.836 257 N CB 1.679 40.251 38.487 0.141 0.000 1.269 257 N HN 0.420 nan 8.380 nan 0.000 0.486 258 I N 4.110 124.685 120.570 0.008 0.000 2.394 258 I HA -0.083 4.087 4.170 -0.000 0.000 0.251 258 I C 1.760 177.944 176.117 0.112 0.000 1.136 258 I CA 0.881 62.178 61.300 -0.006 0.000 1.425 258 I CB -0.603 37.337 38.000 -0.100 0.000 1.079 258 I HN 0.637 nan 8.210 nan 0.000 0.425 259 F N 1.740 121.709 119.950 0.030 0.000 2.154 259 F HA -0.266 4.261 4.527 -0.000 0.000 0.301 259 F C 2.293 178.172 175.800 0.132 0.000 1.087 259 F CA 1.561 59.619 58.000 0.096 0.000 1.274 259 F CB -0.440 38.644 39.000 0.141 0.000 1.009 259 F HN -0.004 nan 8.300 nan 0.000 0.485 260 R N 0.062 120.526 120.500 -0.060 0.000 2.170 260 R HA -0.232 4.108 4.340 -0.000 0.000 0.242 260 R C 2.157 178.363 176.300 -0.157 0.000 1.145 260 R CA 1.525 57.521 56.100 -0.173 0.000 0.984 260 R CB -1.905 28.391 30.300 -0.006 0.000 0.869 260 R HN 0.500 nan 8.270 nan 0.000 0.455 261 F N 1.768 121.606 119.950 -0.187 0.000 2.095 261 F HA -0.209 4.318 4.527 -0.000 0.000 0.298 261 F C 1.942 177.650 175.800 -0.152 0.000 1.104 261 F CA 1.874 59.790 58.000 -0.139 0.000 1.232 261 F CB -0.390 38.545 39.000 -0.108 0.000 0.987 261 F HN -0.073 nan 8.300 nan 0.000 0.475 262 T N -0.015 114.414 114.554 -0.208 0.000 2.812 262 T HA -0.212 4.138 4.350 -0.000 0.000 0.264 262 T C 1.876 176.421 174.700 -0.259 0.000 1.042 262 T CA 1.375 63.331 62.100 -0.240 0.000 1.140 262 T CB -0.412 68.423 68.868 -0.056 0.000 0.870 262 T HN 0.435 nan 8.240 nan 0.000 0.445 263 Q N 0.934 120.460 119.800 -0.458 0.000 2.061 263 Q HA -0.139 4.201 4.340 -0.000 0.000 0.204 263 Q C 2.485 178.341 176.000 -0.241 0.000 0.984 263 Q CA 1.655 57.232 55.803 -0.377 0.000 0.846 263 Q CB -0.343 28.076 28.738 -0.532 0.000 0.902 263 Q HN 0.536 nan 8.270 nan 0.000 0.421 264 A N 0.370 123.043 122.820 -0.245 0.000 1.933 264 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 264 A C 2.247 179.710 177.584 -0.201 0.000 1.175 264 A CA 1.596 53.519 52.037 -0.189 0.000 0.628 264 A CB -1.312 17.584 19.000 -0.173 0.000 0.814 264 A HN 0.626 nan 8.150 nan 0.000 0.444 265 G N -0.539 108.096 108.800 -0.274 0.000 2.446 265 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.217 265 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.217 265 G C 1.831 176.650 174.900 -0.135 0.000 1.168 265 G CA 1.352 46.311 45.100 -0.235 0.000 0.771 265 G HN 0.493 nan 8.290 nan 0.000 0.551 266 S N 0.638 116.268 115.700 -0.118 0.000 2.370 266 S HA -0.112 4.358 4.470 -0.000 0.000 0.226 266 S C 2.150 176.685 174.600 -0.109 0.000 1.033 266 S CA 1.531 59.662 58.200 -0.116 0.000 1.011 266 S CB -0.266 62.798 63.200 -0.227 0.000 0.852 266 S HN 0.615 nan 8.310 nan 0.000 0.457 267 E N 0.595 120.727 120.200 -0.113 0.000 2.058 267 E HA -0.149 4.201 4.350 -0.000 0.000 0.194 267 E C 2.320 178.880 176.600 -0.068 0.000 0.997 267 E CA 1.732 58.080 56.400 -0.086 0.000 0.801 267 E CB -0.363 29.288 29.700 -0.082 0.000 0.746 267 E HN 0.598 nan 8.360 nan 0.000 0.450 268 V N -1.577 118.294 119.914 -0.072 0.000 2.649 268 V HA -0.076 4.044 4.120 -0.000 0.000 0.248 268 V C 2.284 178.350 176.094 -0.046 0.000 1.054 268 V CA 1.478 63.745 62.300 -0.054 0.000 1.073 268 V CB 0.022 31.811 31.823 -0.056 0.000 0.699 268 V HN 0.107 nan 8.190 nan 0.000 0.463 269 S N 1.181 116.850 115.700 -0.053 0.000 2.374 269 S HA -0.203 4.267 4.470 -0.000 0.000 0.227 269 S C 2.183 176.767 174.600 -0.027 0.000 1.037 269 S CA 2.065 60.243 58.200 -0.037 0.000 1.024 269 S CB -0.620 62.561 63.200 -0.032 0.000 0.861 269 S HN 0.978 nan 8.310 nan 0.000 0.456 270 A N 1.408 124.209 122.820 -0.033 0.000 1.883 270 A HA -0.007 4.313 4.320 -0.000 0.000 0.217 270 A C 2.165 179.738 177.584 -0.019 0.000 1.186 270 A CA 1.641 53.662 52.037 -0.026 0.000 0.624 270 A CB -0.836 18.145 19.000 -0.033 0.000 0.822 270 A HN 0.599 nan 8.150 nan 0.000 0.444 271 L N -0.798 120.412 121.223 -0.022 0.000 2.275 271 L HA -0.068 4.272 4.340 -0.000 0.000 0.215 271 L C 2.184 179.048 176.870 -0.010 0.000 1.119 271 L CA 0.454 55.285 54.840 -0.015 0.000 0.790 271 L CB -0.481 41.568 42.059 -0.017 0.000 0.919 271 L HN 0.325 nan 8.230 nan 0.000 0.443 272 L N 0.093 121.309 121.223 -0.012 0.000 2.376 272 L HA 0.010 4.350 4.340 -0.000 0.000 0.219 272 L C 1.413 178.282 176.870 -0.002 0.000 1.133 272 L CA 0.750 55.586 54.840 -0.006 0.000 0.816 272 L CB -0.527 41.526 42.059 -0.010 0.000 0.933 272 L HN 0.513 nan 8.230 nan 0.000 0.449 273 G N 0.523 109.321 108.800 -0.003 0.000 2.142 273 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.225 273 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.225 273 G C 0.152 175.053 174.900 0.001 0.000 1.015 273 G CA -0.304 44.796 45.100 -0.000 0.000 0.716 273 G HN 0.324 nan 8.290 nan 0.000 0.508 274 R N -0.847 119.653 120.500 -0.000 0.000 2.596 274 R HA 0.675 5.015 4.340 -0.000 0.000 0.267 274 R C 0.657 176.960 176.300 0.005 0.000 1.026 274 R CA -0.854 55.248 56.100 0.003 0.000 1.087 274 R CB 1.085 31.387 30.300 0.003 0.000 1.132 274 R HN 0.254 nan 8.270 nan 0.000 0.531 275 I N 3.895 124.470 120.570 0.009 0.000 2.371 275 I HA 0.161 4.331 4.170 -0.000 0.000 0.290 275 I C -1.637 174.490 176.117 0.017 0.000 1.028 275 I CA -2.013 59.294 61.300 0.011 0.000 1.345 275 I CB 0.991 38.998 38.000 0.012 0.000 1.407 275 I HN 0.285 nan 8.210 nan 0.000 0.501 276 P HA 0.045 nan 4.420 nan 0.000 0.269 276 P C -0.333 176.992 177.300 0.041 0.000 1.209 276 P CA -0.052 63.063 63.100 0.026 0.000 0.776 276 P CB 1.452 33.161 31.700 0.016 0.000 0.876 277 S N 1.335 117.074 115.700 0.065 0.000 2.521 277 S HA 0.602 5.072 4.470 -0.000 0.000 0.278 277 S C 0.063 174.720 174.600 0.094 0.000 1.140 277 S CA -0.357 57.887 58.200 0.075 0.000 1.028 277 S CB 0.122 63.373 63.200 0.086 0.000 1.203 277 S HN 0.624 nan 8.310 nan 0.000 0.491 278 A N 0.335 123.216 122.820 0.102 0.000 2.531 278 A HA 0.399 4.719 4.320 -0.000 0.000 0.236 278 A C 0.976 178.674 177.584 0.190 0.000 1.062 278 A CA 0.385 52.489 52.037 0.112 0.000 0.760 278 A CB -0.787 18.267 19.000 0.090 0.000 0.995 278 A HN 1.598 nan 8.150 nan 0.000 0.501 279 V N 1.431 121.441 119.914 0.160 0.000 3.525 279 V HA -0.330 3.790 4.120 -0.000 0.000 0.200 279 V C 1.832 177.992 176.094 0.109 0.000 0.451 279 V CA 1.714 64.123 62.300 0.183 0.000 1.037 279 V CB -2.496 29.531 31.823 0.340 0.000 1.164 279 V HN 2.896 nan 8.190 nan 0.000 1.195 280 G N -2.569 106.279 108.800 0.079 0.000 2.189 280 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.267 280 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.267 280 G C -0.058 174.834 174.900 -0.014 0.000 0.975 280 G CA 0.604 45.709 45.100 0.008 0.000 0.644 280 G HN 0.863 nan 8.290 nan 0.000 0.537 281 Y N 1.511 121.827 120.300 0.027 0.000 2.385 281 Y HA 0.336 4.886 4.550 -0.000 0.000 0.346 281 Y C 1.459 177.362 175.900 0.004 0.000 1.270 281 Y CA 0.221 58.331 58.100 0.018 0.000 1.472 281 Y CB 0.483 38.966 38.460 0.038 0.000 1.354 281 Y HN 0.412 nan 8.280 nan 0.000 0.611 282 Q N 4.388 124.293 119.800 0.175 0.000 2.330 282 Q HA 0.036 4.376 4.340 -0.000 0.000 0.279 282 Q C -2.277 173.776 176.000 0.088 0.000 1.024 282 Q CA -1.650 54.203 55.803 0.083 0.000 0.900 282 Q CB 0.685 29.445 28.738 0.037 0.000 1.221 282 Q HN 0.431 nan 8.270 nan 0.000 0.396 283 P HA -0.126 nan 4.420 nan 0.000 0.223 283 P C 0.687 178.012 177.300 0.042 0.000 1.144 283 P CA 1.390 64.519 63.100 0.049 0.000 0.783 283 P CB 0.004 31.724 31.700 0.034 0.000 0.771 284 T N -3.962 110.614 114.554 0.037 0.000 3.206 284 T HA 0.171 4.521 4.350 -0.000 0.000 0.253 284 T C 1.528 176.254 174.700 0.044 0.000 1.042 284 T CA -0.387 61.733 62.100 0.034 0.000 0.931 284 T CB -0.873 68.007 68.868 0.021 0.000 1.029 284 T HN -0.035 nan 8.240 nan 0.000 0.564 285 L N 0.997 122.250 121.223 0.051 0.000 1.990 285 L HA -0.058 4.282 4.340 -0.000 0.000 0.213 285 L C 2.829 179.740 176.870 0.070 0.000 1.072 285 L CA 1.950 56.820 54.840 0.051 0.000 0.755 285 L CB -0.731 41.345 42.059 0.028 0.000 0.889 285 L HN 0.417 nan 8.230 nan 0.000 0.432 286 A N -0.434 122.425 122.820 0.065 0.000 1.858 286 A HA -0.249 4.071 4.320 -0.000 0.000 0.216 286 A C 2.356 180.004 177.584 0.107 0.000 1.190 286 A CA 2.594 54.684 52.037 0.087 0.000 0.617 286 A CB -1.330 17.708 19.000 0.064 0.000 0.827 286 A HN 0.644 nan 8.150 nan 0.000 0.443 287 T N -1.564 113.039 114.554 0.082 0.000 2.674 287 T HA -0.179 4.171 4.350 -0.000 0.000 0.265 287 T C 1.427 176.185 174.700 0.097 0.000 1.039 287 T CA 1.569 63.717 62.100 0.079 0.000 1.150 287 T CB -0.709 68.192 68.868 0.055 0.000 0.864 287 T HN 0.380 nan 8.240 nan 0.000 0.427 288 D N 1.168 121.633 120.400 0.108 0.000 2.106 288 D HA -0.123 4.517 4.640 -0.000 0.000 0.191 288 D C 2.030 178.470 176.300 0.233 0.000 0.997 288 D CA 1.359 55.459 54.000 0.167 0.000 0.834 288 D CB -0.565 40.311 40.800 0.127 0.000 0.956 288 D HN 0.397 nan 8.370 nan 0.000 0.448 289 M N 0.452 120.184 119.600 0.220 0.000 2.149 289 M HA -0.110 4.370 4.480 -0.000 0.000 0.261 289 M C 1.996 178.279 176.300 -0.028 0.000 1.064 289 M CA 2.045 57.437 55.300 0.153 0.000 1.102 289 M CB -0.199 32.507 32.600 0.177 0.000 1.369 289 M HN 0.065 nan 8.290 nan 0.000 0.408 290 G N -0.450 108.390 108.800 0.066 0.000 2.453 290 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.215 290 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.215 290 G C 1.410 176.295 174.900 -0.025 0.000 1.201 290 G CA 1.562 46.688 45.100 0.044 0.000 0.784 290 G HN 0.582 nan 8.290 nan 0.000 0.545 291 T N -1.106 113.457 114.554 0.016 0.000 2.803 291 T HA -0.153 4.197 4.350 -0.000 0.000 0.269 291 T C 2.293 176.964 174.700 -0.048 0.000 1.052 291 T CA 1.743 63.848 62.100 0.008 0.000 1.136 291 T CB -0.221 68.676 68.868 0.048 0.000 0.864 291 T HN 0.271 nan 8.240 nan 0.000 0.467 292 M N 0.201 119.741 119.600 -0.100 0.000 2.073 292 M HA -0.072 4.408 4.480 -0.000 0.000 0.259 292 M C 2.596 178.734 176.300 -0.271 0.000 1.079 292 M CA 1.421 56.582 55.300 -0.231 0.000 1.131 292 M CB -0.230 32.092 32.600 -0.463 0.000 1.316 292 M HN 0.072 nan 8.290 nan 0.000 0.415 293 Q N 0.650 120.244 119.800 -0.344 0.000 2.112 293 Q HA -0.191 4.149 4.340 -0.000 0.000 0.206 293 Q C 1.776 177.629 176.000 -0.246 0.000 0.987 293 Q CA 1.502 57.071 55.803 -0.391 0.000 0.858 293 Q CB -0.639 27.633 28.738 -0.778 0.000 0.905 293 Q HN 0.600 nan 8.270 nan 0.000 0.420 294 E N 0.292 120.387 120.200 -0.174 0.000 2.333 294 E HA -0.124 4.226 4.350 -0.000 0.000 0.198 294 E C 1.777 178.334 176.600 -0.072 0.000 1.007 294 E CA 0.519 56.875 56.400 -0.073 0.000 0.845 294 E CB -0.054 29.636 29.700 -0.016 0.000 0.766 294 E HN 0.353 nan 8.360 nan 0.000 0.507 295 R N 0.025 120.465 120.500 -0.100 0.000 2.210 295 R HA 0.183 4.523 4.340 -0.000 0.000 0.203 295 R C 0.989 177.229 176.300 -0.100 0.000 1.010 295 R CA 0.214 56.261 56.100 -0.088 0.000 1.008 295 R CB 0.275 30.518 30.300 -0.094 0.000 0.923 295 R HN 0.069 nan 8.270 nan 0.000 0.469 296 I N 1.609 122.101 120.570 -0.130 0.000 2.191 296 I HA 0.095 4.265 4.170 -0.000 0.000 0.289 296 I C -0.073 175.979 176.117 -0.108 0.000 1.141 296 I CA 0.068 61.289 61.300 -0.132 0.000 1.430 296 I CB 0.596 38.490 38.000 -0.176 0.000 1.497 296 I HN -0.085 nan 8.210 nan 0.000 0.636 297 T N 2.042 116.547 114.554 -0.082 0.000 2.843 297 T HA 0.314 4.664 4.350 -0.000 0.000 0.302 297 T C -0.365 174.301 174.700 -0.058 0.000 1.232 297 T CA -0.280 61.780 62.100 -0.067 0.000 1.009 297 T CB 1.904 70.741 68.868 -0.053 0.000 1.254 297 T HN 0.193 nan 8.240 nan 0.000 0.504 298 T N 3.337 117.858 114.554 -0.054 0.000 2.794 298 T HA 0.532 4.882 4.350 -0.000 0.000 0.296 298 T C 0.389 175.060 174.700 -0.049 0.000 0.949 298 T CA -0.307 61.765 62.100 -0.046 0.000 1.101 298 T CB 0.480 69.322 68.868 -0.043 0.000 0.905 298 T HN 0.794 nan 8.240 nan 0.000 0.516 299 T N 0.898 115.427 114.554 -0.043 0.000 2.937 299 T HA 0.446 4.796 4.350 -0.000 0.000 0.283 299 T C 1.142 175.816 174.700 -0.044 0.000 1.012 299 T CA -1.135 60.937 62.100 -0.048 0.000 0.997 299 T CB 1.414 70.258 68.868 -0.041 0.000 1.136 299 T HN 0.399 nan 8.240 nan 0.000 0.551 300 K N -0.153 120.218 120.400 -0.048 0.000 2.362 300 K HA -0.011 4.309 4.320 -0.000 0.000 0.200 300 K C 1.995 178.576 176.600 -0.031 0.000 1.046 300 K CA 0.775 57.037 56.287 -0.041 0.000 0.952 300 K CB -0.009 32.465 32.500 -0.045 0.000 0.753 300 K HN 0.531 nan 8.250 nan 0.000 0.466 301 K N 0.229 120.611 120.400 -0.030 0.000 2.356 301 K HA 0.026 4.346 4.320 -0.000 0.000 0.195 301 K C 0.178 176.766 176.600 -0.020 0.000 1.037 301 K CA 0.369 56.640 56.287 -0.027 0.000 1.014 301 K CB 0.621 33.102 32.500 -0.032 0.000 0.815 301 K HN 0.170 nan 8.250 nan 0.000 0.507 302 G N -0.564 108.226 108.800 -0.017 0.000 2.632 302 G HA2 0.253 4.213 3.960 -0.000 0.000 0.292 302 G HA3 0.253 4.213 3.960 -0.000 0.000 0.292 302 G C -1.810 173.087 174.900 -0.005 0.000 1.465 302 G CA -0.600 44.498 45.100 -0.003 0.000 0.824 302 G HN -0.037 nan 8.290 nan 0.000 0.509 303 S N -0.610 115.094 115.700 0.006 0.000 2.537 303 S HA 0.842 5.312 4.470 -0.000 0.000 0.301 303 S C -0.541 174.058 174.600 -0.002 0.000 1.092 303 S CA -0.703 57.495 58.200 -0.005 0.000 1.048 303 S CB 0.791 63.991 63.200 -0.001 0.000 1.053 303 S HN 0.499 nan 8.310 nan 0.000 0.501 304 I N 3.121 123.672 120.570 -0.033 0.000 2.512 304 I HA 0.241 4.411 4.170 -0.000 0.000 0.287 304 I C -0.669 175.381 176.117 -0.112 0.000 1.069 304 I CA -0.503 60.762 61.300 -0.058 0.000 1.056 304 I CB 2.476 40.441 38.000 -0.057 0.000 1.229 304 I HN 0.477 nan 8.210 nan 0.000 0.429 305 T N 4.145 118.600 114.554 -0.165 0.000 2.738 305 T HA 0.305 4.655 4.350 -0.000 0.000 0.298 305 T C 0.082 174.570 174.700 -0.353 0.000 0.962 305 T CA -0.532 61.433 62.100 -0.226 0.000 0.972 305 T CB 0.594 69.329 68.868 -0.223 0.000 0.928 305 T HN 0.640 nan 8.240 nan 0.000 0.474 306 S N 2.252 117.757 115.700 -0.325 0.000 2.451 306 S HA 0.661 5.131 4.470 -0.000 0.000 0.301 306 S C -0.354 173.997 174.600 -0.415 0.000 1.116 306 S CA -0.833 57.137 58.200 -0.383 0.000 1.093 306 S CB 1.330 64.369 63.200 -0.268 0.000 1.017 306 S HN 0.375 nan 8.310 nan 0.000 0.482 307 V N 3.752 123.366 119.914 -0.500 0.000 2.325 307 V HA 0.365 4.485 4.120 -0.000 0.000 0.280 307 V C -0.502 175.462 176.094 -0.216 0.000 1.016 307 V CA -0.493 61.602 62.300 -0.343 0.000 0.818 307 V CB 0.782 32.450 31.823 -0.257 0.000 1.019 307 V HN 0.939 nan 8.190 nan 0.000 0.434 308 Q N 3.125 122.800 119.800 -0.208 0.000 2.307 308 Q HA 0.750 5.090 4.340 -0.000 0.000 0.262 308 Q C -0.020 175.881 176.000 -0.163 0.000 0.961 308 Q CA -0.488 55.201 55.803 -0.190 0.000 0.882 308 Q CB 2.497 31.104 28.738 -0.218 0.000 1.264 308 Q HN 0.818 nan 8.270 nan 0.000 0.446 309 A N 3.748 126.505 122.820 -0.104 0.000 2.366 309 A HA 0.521 4.841 4.320 -0.000 0.000 0.272 309 A C -0.378 177.142 177.584 -0.106 0.000 1.135 309 A CA -0.319 51.680 52.037 -0.064 0.000 0.804 309 A CB 0.133 19.149 19.000 0.027 0.000 1.064 309 A HN 0.765 nan 8.150 nan 0.000 0.499 310 I N 2.820 123.269 120.570 -0.201 0.000 2.420 310 I HA 0.158 4.328 4.170 -0.000 0.000 0.282 310 I C -0.809 175.233 176.117 -0.126 0.000 1.019 310 I CA -0.472 60.682 61.300 -0.244 0.000 1.130 310 I CB 1.180 38.721 38.000 -0.765 0.000 1.262 310 I HN 0.746 nan 8.210 nan 0.000 0.454 311 Y N 7.202 127.420 120.300 -0.137 0.000 2.442 311 Y HA 0.340 4.890 4.550 -0.000 0.000 0.330 311 Y C -0.308 175.265 175.900 -0.544 0.000 1.129 311 Y CA -0.114 57.823 58.100 -0.271 0.000 1.365 311 Y CB 0.904 39.233 38.460 -0.219 0.000 1.233 311 Y HN 0.272 nan 8.280 nan 0.000 0.529 312 V N 9.659 129.053 119.914 -0.866 0.000 2.311 312 V HA 0.267 4.387 4.120 -0.000 0.000 0.275 312 V C -2.120 173.444 176.094 -0.884 0.000 1.022 312 V CA -2.018 59.897 62.300 -0.642 0.000 0.830 312 V CB 0.751 32.411 31.823 -0.271 0.000 1.012 312 V HN 0.713 nan 8.190 nan 0.000 0.452 313 P HA 0.126 nan 4.420 nan 0.000 0.267 313 P C 0.511 177.739 177.300 -0.121 0.000 1.209 313 P CA 0.783 63.739 63.100 -0.239 0.000 0.763 313 P CB 1.171 32.915 31.700 0.074 0.000 0.816 314 A N 3.965 126.744 122.820 -0.069 0.000 2.826 314 A HA -0.233 4.087 4.320 -0.000 0.000 0.274 314 A C 0.901 178.445 177.584 -0.065 0.000 1.443 314 A CA 1.200 53.221 52.037 -0.027 0.000 0.833 314 A CB -2.592 16.421 19.000 0.021 0.000 1.023 314 A HN 0.620 nan 8.150 nan 0.000 0.600 315 D N -1.715 118.598 120.400 -0.144 0.000 2.983 315 D HA -0.214 4.426 4.640 -0.000 0.000 0.225 315 D C -0.151 176.108 176.300 -0.069 0.000 1.174 315 D CA 1.995 55.922 54.000 -0.122 0.000 0.831 315 D CB -1.203 39.551 40.800 -0.077 0.000 1.104 315 D HN 0.982 nan 8.370 nan 0.000 0.421 316 D N 0.096 120.463 120.400 -0.056 0.000 2.441 316 D HA 0.269 4.909 4.640 -0.000 0.000 0.221 316 D C 1.589 177.898 176.300 0.016 0.000 1.156 316 D CA -0.357 53.638 54.000 -0.009 0.000 0.896 316 D CB 0.289 41.100 40.800 0.019 0.000 1.028 316 D HN 0.077 nan 8.370 nan 0.000 0.509 317 L N 2.255 123.500 121.223 0.036 0.000 2.201 317 L HA -0.085 4.255 4.340 -0.000 0.000 0.212 317 L C 2.285 179.234 176.870 0.133 0.000 1.105 317 L CA 1.226 56.137 54.840 0.118 0.000 0.775 317 L CB -0.428 41.697 42.059 0.111 0.000 0.913 317 L HN 0.520 nan 8.230 nan 0.000 0.440 318 T N -4.279 110.310 114.554 0.058 0.000 3.118 318 T HA -0.085 4.265 4.350 -0.000 0.000 0.260 318 T C 0.574 175.310 174.700 0.060 0.000 1.139 318 T CA -0.209 61.916 62.100 0.042 0.000 1.085 318 T CB -0.554 68.319 68.868 0.009 0.000 0.934 318 T HN 0.191 nan 8.240 nan 0.000 0.518 319 D N 2.478 122.923 120.400 0.075 0.000 2.488 319 D HA 0.115 4.755 4.640 -0.000 0.000 0.238 319 D C -1.518 174.799 176.300 0.028 0.000 1.138 319 D CA -1.778 52.269 54.000 0.079 0.000 0.873 319 D CB 1.045 41.915 40.800 0.117 0.000 1.183 319 D HN -0.051 nan 8.370 nan 0.000 0.458 320 P HA -0.212 nan 4.420 nan 0.000 0.221 320 P C 0.280 177.457 177.300 -0.205 0.000 1.141 320 P CA 1.499 64.497 63.100 -0.170 0.000 0.794 320 P CB 0.151 31.670 31.700 -0.301 0.000 0.764 321 A N 0.308 123.010 122.820 -0.197 0.000 1.849 321 A HA -0.001 4.319 4.320 -0.000 0.000 0.214 321 A C -0.126 177.544 177.584 0.143 0.000 1.269 321 A CA 1.303 53.345 52.037 0.008 0.000 0.605 321 A CB -1.894 17.312 19.000 0.343 0.000 0.937 321 A HN 0.166 nan 8.150 nan 0.000 0.461 322 P HA -0.148 nan 4.420 nan 0.000 0.216 322 P C 1.565 179.079 177.300 0.356 0.000 1.150 322 P CA 2.101 65.331 63.100 0.217 0.000 0.837 322 P CB -0.183 31.670 31.700 0.254 0.000 0.786 323 A N 0.003 123.049 122.820 0.376 0.000 1.940 323 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 323 A C 2.302 180.092 177.584 0.344 0.000 1.176 323 A CA 2.442 54.742 52.037 0.439 0.000 0.631 323 A CB -1.895 17.216 19.000 0.184 0.000 0.814 323 A HN 0.228 nan 8.150 nan 0.000 0.446 324 T N -0.553 114.124 114.554 0.205 0.000 3.023 324 T HA -0.031 4.319 4.350 -0.000 0.000 0.266 324 T C 1.830 176.643 174.700 0.189 0.000 1.093 324 T CA 1.561 63.749 62.100 0.147 0.000 1.129 324 T CB -0.229 68.699 68.868 0.101 0.000 0.899 324 T HN 0.591 nan 8.240 nan 0.000 0.491 325 T N 1.615 116.303 114.554 0.224 0.000 2.896 325 T HA 0.063 4.413 4.350 -0.000 0.000 0.263 325 T C 1.508 176.342 174.700 0.224 0.000 1.050 325 T CA 0.517 62.747 62.100 0.217 0.000 1.140 325 T CB -0.484 68.394 68.868 0.015 0.000 0.877 325 T HN 0.236 nan 8.240 nan 0.000 0.457 326 F N 2.375 122.498 119.950 0.289 0.000 2.048 326 F HA -0.250 4.277 4.527 0.000 0.000 0.296 326 F C 2.631 178.480 175.800 0.081 0.000 1.109 326 F CA 1.419 59.556 58.000 0.229 0.000 1.214 326 F CB -0.900 38.138 39.000 0.063 0.000 0.963 326 F HN 0.162 nan 8.300 nan 0.000 0.491 327 A N -1.882 121.030 122.820 0.154 0.000 2.264 327 A HA -0.140 4.180 4.320 -0.000 0.000 0.207 327 A C 1.377 178.886 177.584 -0.124 0.000 1.196 327 A CA 1.109 53.129 52.037 -0.029 0.000 0.778 327 A CB -0.954 17.970 19.000 -0.126 0.000 0.779 327 A HN 0.534 nan 8.150 nan 0.000 0.483 328 H N -1.293 117.833 119.070 0.093 0.000 2.652 328 H HA 0.358 4.914 4.556 -0.000 0.000 0.274 328 H C -0.042 175.297 175.328 0.018 0.000 1.021 328 H CA 0.055 56.124 56.048 0.036 0.000 1.187 328 H CB 0.243 30.008 29.762 0.005 0.000 1.505 328 H HN 0.363 nan 8.280 nan 0.000 0.530 329 L N 0.345 121.656 121.223 0.147 0.000 2.334 329 L HA 0.256 4.596 4.340 -0.000 0.000 0.272 329 L C 0.862 177.780 176.870 0.079 0.000 1.020 329 L CA -0.549 54.345 54.840 0.091 0.000 0.812 329 L CB 1.783 43.911 42.059 0.114 0.000 1.264 329 L HN -0.112 nan 8.230 nan 0.000 0.439 330 D N 0.845 121.270 120.400 0.042 0.000 2.355 330 D HA 0.196 4.836 4.640 -0.000 0.000 0.206 330 D C 0.192 176.531 176.300 0.065 0.000 1.010 330 D CA 0.529 54.555 54.000 0.043 0.000 0.875 330 D CB 1.103 41.913 40.800 0.018 0.000 0.966 330 D HN 0.516 nan 8.370 nan 0.000 0.512 331 A N 0.803 123.662 122.820 0.065 0.000 2.427 331 A HA 0.553 4.873 4.320 -0.000 0.000 0.298 331 A C -0.359 177.308 177.584 0.137 0.000 1.036 331 A CA -0.607 51.502 52.037 0.120 0.000 0.701 331 A CB 1.436 20.537 19.000 0.167 0.000 1.250 331 A HN -0.024 nan 8.150 nan 0.000 0.412 332 T N -0.749 113.924 114.554 0.197 0.000 2.863 332 T HA 0.760 5.110 4.350 -0.000 0.000 0.285 332 T C -0.473 174.376 174.700 0.249 0.000 1.009 332 T CA -0.597 61.657 62.100 0.256 0.000 0.989 332 T CB 1.613 70.624 68.868 0.239 0.000 1.004 332 T HN 0.481 nan 8.240 nan 0.000 0.455 333 T N 2.497 117.234 114.554 0.304 0.000 3.009 333 T HA 0.403 4.753 4.350 -0.000 0.000 0.346 333 T C -0.239 174.613 174.700 0.254 0.000 1.092 333 T CA -0.526 61.729 62.100 0.258 0.000 1.080 333 T CB 0.656 69.706 68.868 0.304 0.000 1.037 333 T HN 0.634 nan 8.240 nan 0.000 0.487 334 V N 5.222 125.223 119.914 0.145 0.000 2.408 334 V HA 0.325 4.445 4.120 -0.000 0.000 0.267 334 V C 0.277 176.424 176.094 0.088 0.000 1.047 334 V CA -0.618 61.746 62.300 0.106 0.000 0.937 334 V CB 0.652 32.470 31.823 -0.008 0.000 0.999 334 V HN 0.724 nan 8.190 nan 0.000 0.472 335 L N 4.490 125.776 121.223 0.105 0.000 2.290 335 L HA 0.410 4.750 4.340 -0.000 0.000 0.284 335 L C 0.569 177.448 176.870 0.016 0.000 1.078 335 L CA 0.240 55.115 54.840 0.059 0.000 0.815 335 L CB 1.470 43.577 42.059 0.080 0.000 1.162 335 L HN 0.650 nan 8.230 nan 0.000 0.435 336 S N 3.022 118.710 115.700 -0.021 0.000 2.457 336 S HA 0.246 4.716 4.470 -0.000 0.000 0.289 336 S C 0.984 175.547 174.600 -0.062 0.000 1.163 336 S CA -0.669 57.505 58.200 -0.042 0.000 1.078 336 S CB 1.199 64.366 63.200 -0.054 0.000 0.987 336 S HN 0.733 nan 8.310 nan 0.000 0.482 337 R N 3.918 124.387 120.500 -0.051 0.000 2.092 337 R HA -0.045 4.295 4.340 -0.000 0.000 0.231 337 R C 2.106 178.366 176.300 -0.067 0.000 1.119 337 R CA 1.635 57.705 56.100 -0.050 0.000 0.970 337 R CB -0.679 29.601 30.300 -0.034 0.000 0.864 337 R HN 0.778 nan 8.270 nan 0.000 0.440 338 A N 1.353 124.135 122.820 -0.064 0.000 1.883 338 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 338 A C 2.159 179.689 177.584 -0.089 0.000 1.186 338 A CA 1.551 53.548 52.037 -0.066 0.000 0.624 338 A CB -0.558 18.405 19.000 -0.062 0.000 0.822 338 A HN 0.372 nan 8.150 nan 0.000 0.444 339 I N -0.319 120.187 120.570 -0.107 0.000 2.286 339 I HA -0.287 3.883 4.170 -0.000 0.000 0.248 339 I C 2.959 178.933 176.117 -0.238 0.000 1.115 339 I CA 1.010 62.228 61.300 -0.137 0.000 1.392 339 I CB -0.404 37.521 38.000 -0.126 0.000 1.065 339 I HN 0.382 nan 8.210 nan 0.000 0.418 340 A N 0.623 123.267 122.820 -0.294 0.000 1.902 340 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 340 A C 2.163 179.580 177.584 -0.279 0.000 1.181 340 A CA 1.601 53.327 52.037 -0.518 0.000 0.623 340 A CB -0.586 18.240 19.000 -0.290 0.000 0.818 340 A HN 0.450 nan 8.150 nan 0.000 0.443 341 E N -0.405 119.722 120.200 -0.121 0.000 2.333 341 E HA -0.059 4.291 4.350 -0.000 0.000 0.198 341 E C 0.962 177.539 176.600 -0.038 0.000 1.007 341 E CA 0.481 56.856 56.400 -0.041 0.000 0.845 341 E CB -0.195 29.488 29.700 -0.028 0.000 0.766 341 E HN 0.592 nan 8.360 nan 0.000 0.507 342 L N -0.052 121.125 121.223 -0.077 0.000 2.653 342 L HA 0.160 4.500 4.340 -0.000 0.000 0.232 342 L C 1.329 178.183 176.870 -0.027 0.000 1.169 342 L CA 0.091 54.901 54.840 -0.051 0.000 0.951 342 L CB -0.038 41.989 42.059 -0.052 0.000 1.181 342 L HN 0.243 nan 8.230 nan 0.000 0.460 343 G N 0.439 109.236 108.800 -0.004 0.000 2.196 343 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.268 343 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.268 343 G C 0.463 175.492 174.900 0.215 0.000 0.975 343 G CA -0.049 45.161 45.100 0.182 0.000 0.648 343 G HN 0.237 nan 8.290 nan 0.000 0.538 344 I N 0.901 121.452 120.570 -0.032 0.000 2.421 344 I HA 0.385 4.555 4.170 -0.000 0.000 0.291 344 I C -0.040 175.887 176.117 -0.317 0.000 1.089 344 I CA -0.355 60.934 61.300 -0.020 0.000 1.354 344 I CB -0.612 37.371 38.000 -0.028 0.000 1.413 344 I HN 0.076 nan 8.210 nan 0.000 0.513 345 Y N 7.242 127.487 120.300 -0.091 0.000 2.442 345 Y HA 0.395 4.945 4.550 -0.000 0.000 0.344 345 Y C -2.102 173.574 175.900 -0.374 0.000 0.976 345 Y CA -2.448 55.525 58.100 -0.211 0.000 1.040 345 Y CB 2.189 40.517 38.460 -0.219 0.000 1.228 345 Y HN 0.417 nan 8.280 nan 0.000 0.451 346 P HA 0.097 nan 4.420 nan 0.000 0.271 346 P C -0.530 176.706 177.300 -0.107 0.000 1.216 346 P CA -0.090 62.912 63.100 -0.164 0.000 0.771 346 P CB 1.087 32.704 31.700 -0.138 0.000 0.864 347 A N 4.347 127.088 122.820 -0.132 0.000 3.052 347 A HA 0.239 4.559 4.320 -0.000 0.000 0.266 347 A C 0.359 177.905 177.584 -0.064 0.000 1.855 347 A CA -0.152 51.775 52.037 -0.184 0.000 1.473 347 A CB -1.136 17.703 19.000 -0.267 0.000 1.038 347 A HN 0.386 nan 8.150 nan 0.000 0.619 348 V N 1.560 121.452 119.914 -0.037 0.000 2.427 348 V HA 0.165 4.284 4.120 -0.000 0.000 0.286 348 V C -0.077 176.005 176.094 -0.019 0.000 1.034 348 V CA -0.618 61.683 62.300 0.003 0.000 0.893 348 V CB 1.680 33.520 31.823 0.028 0.000 0.982 348 V HN 0.699 nan 8.190 nan 0.000 0.452 349 D N 7.246 127.637 120.400 -0.014 0.000 2.365 349 D HA 0.263 4.903 4.640 -0.000 0.000 0.237 349 D C -1.119 175.163 176.300 -0.030 0.000 1.190 349 D CA -1.955 52.027 54.000 -0.030 0.000 0.867 349 D CB 1.513 42.292 40.800 -0.035 0.000 1.050 349 D HN 0.272 nan 8.370 nan 0.000 0.491 350 P HA -0.099 nan 4.420 nan 0.000 0.231 350 P C 0.633 177.898 177.300 -0.059 0.000 1.158 350 P CA 0.702 63.770 63.100 -0.055 0.000 0.763 350 P CB 0.306 31.966 31.700 -0.066 0.000 0.805 351 L N -1.371 119.820 121.223 -0.053 0.000 3.014 351 L HA 0.308 4.648 4.340 -0.000 0.000 0.263 351 L C 1.134 177.967 176.870 -0.062 0.000 1.207 351 L CA 0.140 54.945 54.840 -0.058 0.000 1.017 351 L CB 0.216 42.241 42.059 -0.056 0.000 1.360 351 L HN -0.151 nan 8.230 nan 0.000 0.560 352 D N -1.180 119.188 120.400 -0.054 0.000 2.318 352 D HA 0.060 4.700 4.640 -0.000 0.000 0.294 352 D C 0.555 176.832 176.300 -0.039 0.000 1.091 352 D CA 0.320 54.282 54.000 -0.064 0.000 0.883 352 D CB 0.771 41.532 40.800 -0.065 0.000 1.545 352 D HN -0.085 nan 8.370 nan 0.000 0.513 353 S N 0.513 116.207 115.700 -0.010 0.000 2.531 353 S HA 0.499 4.969 4.470 -0.000 0.000 0.279 353 S C 0.311 174.926 174.600 0.024 0.000 1.305 353 S CA -0.157 58.062 58.200 0.032 0.000 1.058 353 S CB 1.152 64.383 63.200 0.051 0.000 0.899 353 S HN 0.383 nan 8.310 nan 0.000 0.493 354 T N -0.781 113.806 114.554 0.055 0.000 2.887 354 T HA 0.819 5.169 4.350 -0.000 0.000 0.292 354 T C -0.595 174.154 174.700 0.080 0.000 1.087 354 T CA -0.900 61.226 62.100 0.043 0.000 1.009 354 T CB 1.897 70.780 68.868 0.026 0.000 1.203 354 T HN 0.492 nan 8.240 nan 0.000 0.518 355 S N -1.098 114.641 115.700 0.064 0.000 2.542 355 S HA 0.387 4.857 4.470 -0.000 0.000 0.276 355 S C -0.091 174.543 174.600 0.056 0.000 1.148 355 S CA -0.852 57.396 58.200 0.080 0.000 0.886 355 S CB 1.519 64.777 63.200 0.097 0.000 1.109 355 S HN 0.774 nan 8.310 nan 0.000 0.458 356 R N 2.700 123.233 120.500 0.055 0.000 2.313 356 R HA 0.234 4.574 4.340 -0.000 0.000 0.199 356 R C 0.908 177.229 176.300 0.035 0.000 0.958 356 R CA 0.291 56.416 56.100 0.041 0.000 1.047 356 R CB -0.121 30.200 30.300 0.036 0.000 0.955 356 R HN 0.553 nan 8.270 nan 0.000 0.481 357 I N 0.021 120.614 120.570 0.038 0.000 3.783 357 I HA 0.022 4.192 4.170 -0.000 0.000 0.310 357 I C 0.885 177.005 176.117 0.004 0.000 1.274 357 I CA 0.164 61.479 61.300 0.024 0.000 1.294 357 I CB -0.296 37.726 38.000 0.037 0.000 1.051 357 I HN 0.154 nan 8.210 nan 0.000 0.435 358 M N 2.561 122.171 119.600 0.017 0.000 3.268 358 M HA 0.141 4.621 4.480 -0.000 0.000 0.249 358 M C -0.508 175.888 176.300 0.159 0.000 1.527 358 M CA 0.430 55.755 55.300 0.043 0.000 1.645 358 M CB -1.110 31.506 32.600 0.026 0.000 1.193 358 M HN 0.038 nan 8.290 nan 0.000 0.534 359 D N 3.621 124.065 120.400 0.073 0.000 2.964 359 D HA 0.287 4.927 4.640 -0.000 0.000 0.234 359 D C -2.464 173.770 176.300 -0.110 0.000 1.223 359 D CA -1.453 52.517 54.000 -0.051 0.000 0.889 359 D CB 2.648 43.417 40.800 -0.051 0.000 1.609 359 D HN 0.103 nan 8.370 nan 0.000 0.523 360 P HA -0.124 nan 4.420 nan 0.000 0.216 360 P C 0.387 177.635 177.300 -0.086 0.000 1.154 360 P CA 1.306 64.285 63.100 -0.202 0.000 0.865 360 P CB 0.244 31.741 31.700 -0.337 0.000 0.789 361 N N -1.872 116.772 118.700 -0.093 0.000 2.515 361 N HA 0.063 4.803 4.740 -0.000 0.000 0.191 361 N C 1.226 176.722 175.510 -0.023 0.000 1.182 361 N CA 0.573 53.594 53.050 -0.048 0.000 0.879 361 N CB -0.215 38.242 38.487 -0.051 0.000 0.984 361 N HN 0.258 nan 8.380 nan 0.000 0.453 362 I N -1.581 118.977 120.570 -0.019 0.000 3.674 362 I HA 0.001 4.171 4.170 -0.000 0.000 0.248 362 I C 1.465 177.595 176.117 0.022 0.000 1.134 362 I CA 0.145 61.446 61.300 0.001 0.000 1.519 362 I CB -0.172 37.826 38.000 -0.003 0.000 1.598 362 I HN -0.060 nan 8.210 nan 0.000 0.442 363 V N 0.020 119.940 119.914 0.010 0.000 3.573 363 V HA 0.457 4.577 4.120 -0.000 0.000 0.270 363 V C 0.828 176.993 176.094 0.118 0.000 1.221 363 V CA 0.231 62.555 62.300 0.041 0.000 1.163 363 V CB -1.417 30.290 31.823 -0.193 0.000 0.847 363 V HN 0.653 nan 8.190 nan 0.000 0.468 364 G N 0.743 109.590 108.800 0.078 0.000 2.692 364 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.686 364 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.686 364 G C 0.371 175.342 174.900 0.118 0.000 1.243 364 G CA 0.159 45.316 45.100 0.094 0.000 0.782 364 G HN 1.142 nan 8.290 nan 0.000 0.625 365 S N -0.200 115.553 115.700 0.089 0.000 2.368 365 S HA -0.091 4.379 4.470 -0.000 0.000 0.224 365 S C 1.825 176.522 174.600 0.162 0.000 1.029 365 S CA 1.783 60.045 58.200 0.103 0.000 0.988 365 S CB -0.225 63.009 63.200 0.057 0.000 0.838 365 S HN 0.982 nan 8.310 nan 0.000 0.462 366 E N 1.186 121.470 120.200 0.141 0.000 2.058 366 E HA -0.308 4.042 4.350 -0.000 0.000 0.194 366 E C 2.092 178.809 176.600 0.196 0.000 0.997 366 E CA 1.445 57.929 56.400 0.140 0.000 0.801 366 E CB -0.392 29.373 29.700 0.108 0.000 0.746 366 E HN 0.851 nan 8.360 nan 0.000 0.450 367 H N -1.554 117.575 119.070 0.098 0.000 2.321 367 H HA -0.208 4.348 4.556 -0.000 0.000 0.300 367 H C 2.151 177.533 175.328 0.090 0.000 1.087 367 H CA 1.654 57.754 56.048 0.087 0.000 1.319 367 H CB -0.128 29.684 29.762 0.083 0.000 1.379 367 H HN 0.272 nan 8.280 nan 0.000 0.501 368 Y N 1.640 122.010 120.300 0.117 0.000 2.128 368 Y HA -0.267 4.282 4.550 -0.000 0.000 0.284 368 Y C 2.197 178.124 175.900 0.045 0.000 1.154 368 Y CA 1.988 60.097 58.100 0.016 0.000 1.149 368 Y CB -0.320 38.131 38.460 -0.016 0.000 0.976 368 Y HN 0.339 nan 8.280 nan 0.000 0.505 369 D N -0.575 119.956 120.400 0.219 0.000 2.104 369 D HA -0.195 4.445 4.640 -0.000 0.000 0.194 369 D C 2.378 178.702 176.300 0.040 0.000 0.994 369 D CA 1.904 55.979 54.000 0.125 0.000 0.830 369 D CB -0.522 40.359 40.800 0.135 0.000 0.959 369 D HN 0.311 nan 8.370 nan 0.000 0.452 370 V N 1.568 121.525 119.914 0.072 0.000 2.343 370 V HA -0.226 3.894 4.120 -0.000 0.000 0.247 370 V C 2.572 178.657 176.094 -0.016 0.000 1.051 370 V CA 1.742 64.077 62.300 0.059 0.000 1.036 370 V CB -0.885 31.000 31.823 0.104 0.000 0.654 370 V HN 0.170 nan 8.190 nan 0.000 0.451 371 A N 0.217 123.017 122.820 -0.032 0.000 1.865 371 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 371 A C 2.357 179.824 177.584 -0.196 0.000 1.191 371 A CA 1.788 53.750 52.037 -0.125 0.000 0.623 371 A CB -0.502 18.422 19.000 -0.127 0.000 0.826 371 A HN 0.396 nan 8.150 nan 0.000 0.444 372 R N -0.594 119.743 120.500 -0.271 0.000 2.096 372 R HA -0.089 4.251 4.340 -0.000 0.000 0.235 372 R C 2.362 178.590 176.300 -0.119 0.000 1.127 372 R CA 1.266 57.219 56.100 -0.245 0.000 0.968 372 R CB -1.625 28.487 30.300 -0.313 0.000 0.861 372 R HN 0.553 nan 8.270 nan 0.000 0.440 373 G N 0.393 109.149 108.800 -0.074 0.000 2.418 373 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.217 373 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.217 373 G C 1.578 176.461 174.900 -0.028 0.000 1.158 373 G CA 0.828 45.912 45.100 -0.027 0.000 0.771 373 G HN 0.178 nan 8.290 nan 0.000 0.545 374 V N 0.489 120.370 119.914 -0.055 0.000 2.307 374 V HA -0.224 3.896 4.120 -0.000 0.000 0.245 374 V C 2.896 178.948 176.094 -0.070 0.000 1.045 374 V CA 2.178 64.438 62.300 -0.067 0.000 1.024 374 V CB -0.631 31.073 31.823 -0.199 0.000 0.651 374 V HN 0.421 nan 8.190 nan 0.000 0.449 375 Q N -0.231 119.510 119.800 -0.098 0.000 2.124 375 Q HA -0.262 4.077 4.340 -0.000 0.000 0.202 375 Q C 2.326 178.297 176.000 -0.049 0.000 0.977 375 Q CA 1.769 57.522 55.803 -0.083 0.000 0.850 375 Q CB -0.209 28.465 28.738 -0.108 0.000 0.901 375 Q HN 0.598 nan 8.270 nan 0.000 0.429 376 K N 1.104 121.478 120.400 -0.044 0.000 1.984 376 K HA -0.148 4.172 4.320 -0.000 0.000 0.209 376 K C 2.043 178.643 176.600 0.000 0.000 1.046 376 K CA 1.067 57.341 56.287 -0.022 0.000 0.934 376 K CB -0.201 32.288 32.500 -0.019 0.000 0.717 376 K HN 0.178 nan 8.250 nan 0.000 0.438 377 I N 1.173 121.747 120.570 0.006 0.000 2.208 377 I HA -0.305 3.865 4.170 -0.000 0.000 0.245 377 I C 1.913 178.064 176.117 0.057 0.000 1.097 377 I CA 1.305 62.618 61.300 0.022 0.000 1.363 377 I CB 0.006 38.014 38.000 0.013 0.000 1.051 377 I HN 0.267 nan 8.210 nan 0.000 0.413 378 L N 0.262 121.516 121.223 0.052 0.000 2.083 378 L HA -0.253 4.087 4.340 -0.000 0.000 0.209 378 L C 2.617 179.532 176.870 0.074 0.000 1.083 378 L CA 1.349 56.243 54.840 0.089 0.000 0.752 378 L CB -0.707 41.375 42.059 0.038 0.000 0.899 378 L HN 0.349 nan 8.230 nan 0.000 0.433 379 Q N 0.229 120.045 119.800 0.028 0.000 2.119 379 Q HA -0.198 4.142 4.340 -0.000 0.000 0.201 379 Q C 1.705 177.722 176.000 0.028 0.000 0.972 379 Q CA 1.660 57.467 55.803 0.007 0.000 0.847 379 Q CB -0.126 28.605 28.738 -0.012 0.000 0.903 379 Q HN 0.384 nan 8.270 nan 0.000 0.433 380 D N -0.994 119.436 120.400 0.050 0.000 2.269 380 D HA -0.129 4.511 4.640 -0.000 0.000 0.208 380 D C 1.266 177.643 176.300 0.127 0.000 0.963 380 D CA 0.593 54.630 54.000 0.061 0.000 0.864 380 D CB -0.071 40.756 40.800 0.045 0.000 0.936 380 D HN 0.314 nan 8.370 nan 0.000 0.505 381 Y N 2.129 122.418 120.300 -0.018 0.000 2.206 381 Y HA -0.038 4.512 4.550 -0.000 0.000 0.292 381 Y C 1.961 177.851 175.900 -0.018 0.000 1.123 381 Y CA 1.034 59.124 58.100 -0.016 0.000 1.142 381 Y CB -0.177 38.274 38.460 -0.016 0.000 1.006 381 Y HN -0.208 nan 8.280 nan 0.000 0.518 382 K N 0.096 120.451 120.400 -0.074 0.000 2.113 382 K HA -0.186 4.134 4.320 -0.000 0.000 0.208 382 K C 2.220 178.758 176.600 -0.103 0.000 1.047 382 K CA 2.011 58.190 56.287 -0.181 0.000 0.928 382 K CB -0.250 32.178 32.500 -0.120 0.000 0.716 382 K HN 0.459 nan 8.250 nan 0.000 0.446 383 S N 1.287 116.968 115.700 -0.031 0.000 2.383 383 S HA -0.098 4.372 4.470 -0.000 0.000 0.227 383 S C 2.011 176.611 174.600 -0.000 0.000 1.026 383 S CA 0.881 59.072 58.200 -0.015 0.000 0.981 383 S CB -0.514 62.687 63.200 0.002 0.000 0.818 383 S HN 0.191 nan 8.310 nan 0.000 0.472 384 L N 1.165 122.413 121.223 0.042 0.000 2.217 384 L HA -0.053 4.287 4.340 -0.000 0.000 0.211 384 L C 2.941 179.837 176.870 0.044 0.000 1.107 384 L CA 0.941 55.825 54.840 0.074 0.000 0.783 384 L CB -0.710 41.447 42.059 0.163 0.000 0.919 384 L HN 0.367 nan 8.230 nan 0.000 0.442 385 Q N 0.020 119.794 119.800 -0.043 0.000 2.217 385 Q HA -0.303 4.037 4.340 -0.000 0.000 0.209 385 Q C 1.665 177.633 176.000 -0.054 0.000 0.988 385 Q CA 2.127 57.861 55.803 -0.115 0.000 0.878 385 Q CB -0.216 28.365 28.738 -0.263 0.000 0.909 385 Q HN 0.488 nan 8.270 nan 0.000 0.424 386 D N 0.444 120.819 120.400 -0.041 0.000 2.078 386 D HA -0.141 4.499 4.640 -0.000 0.000 0.193 386 D C 1.667 177.962 176.300 -0.010 0.000 0.990 386 D CA 1.188 55.172 54.000 -0.028 0.000 0.827 386 D CB -0.091 40.694 40.800 -0.024 0.000 0.975 386 D HN 0.183 nan 8.370 nan 0.000 0.451 387 I N 0.518 121.089 120.570 0.002 0.000 2.264 387 I HA -0.230 3.940 4.170 -0.000 0.000 0.248 387 I C 2.043 178.170 176.117 0.017 0.000 1.111 387 I CA 0.391 61.697 61.300 0.010 0.000 1.382 387 I CB -0.284 37.726 38.000 0.016 0.000 1.060 387 I HN 0.188 nan 8.210 nan 0.000 0.418 388 I N 1.318 121.904 120.570 0.028 0.000 2.226 388 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 388 I C 2.805 178.935 176.117 0.022 0.000 1.100 388 I CA 1.602 62.926 61.300 0.040 0.000 1.374 388 I CB -1.614 36.433 38.000 0.078 0.000 1.057 388 I HN 0.181 nan 8.210 nan 0.000 0.413 389 A N 0.248 123.071 122.820 0.005 0.000 2.125 389 A HA -0.092 4.228 4.320 -0.000 0.000 0.219 389 A C 2.093 179.677 177.584 -0.001 0.000 1.156 389 A CA 1.179 53.214 52.037 -0.003 0.000 0.671 389 A CB -0.225 18.764 19.000 -0.018 0.000 0.794 389 A HN 0.303 nan 8.150 nan 0.000 0.459 390 I N -1.697 118.875 120.570 0.002 0.000 3.744 390 I HA 0.124 4.294 4.170 -0.000 0.000 0.240 390 I C 1.422 177.543 176.117 0.006 0.000 1.096 390 I CA 0.523 61.825 61.300 0.002 0.000 1.558 390 I CB -1.238 36.762 38.000 0.000 0.000 1.531 390 I HN 0.122 nan 8.210 nan 0.000 0.459 391 L N 1.561 122.789 121.223 0.008 0.000 2.718 391 L HA 0.284 4.624 4.340 -0.000 0.000 0.242 391 L C 1.170 178.048 176.870 0.013 0.000 1.203 391 L CA 0.053 54.899 54.840 0.009 0.000 1.011 391 L CB -1.238 40.826 42.059 0.009 0.000 1.250 391 L HN 0.523 nan 8.230 nan 0.000 0.437 392 G N 0.942 109.751 108.800 0.015 0.000 2.578 392 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.275 392 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.275 392 G C 0.206 175.122 174.900 0.027 0.000 1.271 392 G CA 0.404 45.516 45.100 0.020 0.000 0.941 392 G HN 0.318 nan 8.290 nan 0.000 0.564 393 M N 0.855 120.471 119.600 0.026 0.000 2.673 393 M HA 0.229 4.709 4.480 -0.000 0.000 0.334 393 M C 0.896 177.206 176.300 0.017 0.000 1.211 393 M CA 0.141 55.458 55.300 0.028 0.000 0.962 393 M CB -0.023 32.594 32.600 0.029 0.000 1.343 393 M HN 0.543 nan 8.290 nan 0.000 0.511 394 D N 0.472 120.881 120.400 0.015 0.000 2.259 394 D HA -0.033 4.607 4.640 -0.000 0.000 0.216 394 D C 0.222 176.528 176.300 0.010 0.000 0.961 394 D CA 0.906 54.913 54.000 0.011 0.000 0.878 394 D CB 0.226 41.031 40.800 0.009 0.000 1.009 394 D HN 0.298 nan 8.370 nan 0.000 0.490 395 E N 0.898 121.105 120.200 0.011 0.000 2.594 395 E HA 0.231 4.581 4.350 -0.000 0.000 0.300 395 E C -0.443 176.164 176.600 0.012 0.000 1.568 395 E CA 0.094 56.500 56.400 0.010 0.000 1.811 395 E CB -0.277 29.429 29.700 0.010 0.000 1.458 395 E HN 0.200 nan 8.360 nan 0.000 0.470 396 L N -0.140 121.090 121.223 0.011 0.000 2.370 396 L HA 0.407 4.747 4.340 -0.000 0.000 0.266 396 L C 0.227 177.101 176.870 0.007 0.000 1.002 396 L CA -1.025 53.822 54.840 0.012 0.000 0.818 396 L CB 2.147 44.215 42.059 0.014 0.000 1.325 396 L HN 0.032 nan 8.230 nan 0.000 0.418 397 S N 0.544 116.247 115.700 0.006 0.000 2.576 397 S HA -0.008 4.462 4.470 -0.000 0.000 0.276 397 S C 0.956 175.556 174.600 -0.000 0.000 1.339 397 S CA -0.190 58.012 58.200 0.003 0.000 1.039 397 S CB 1.161 64.363 63.200 0.004 0.000 0.902 397 S HN 0.702 nan 8.310 nan 0.000 0.516 398 E N 2.481 122.680 120.200 -0.001 0.000 2.171 398 E HA -0.207 4.143 4.350 -0.000 0.000 0.197 398 E C 1.751 178.347 176.600 -0.007 0.000 0.997 398 E CA 2.171 58.568 56.400 -0.004 0.000 0.810 398 E CB -0.214 29.485 29.700 -0.002 0.000 0.738 398 E HN 0.829 nan 8.360 nan 0.000 0.467 399 E N -0.186 120.011 120.200 -0.005 0.000 2.031 399 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 399 E C 1.372 177.965 176.600 -0.012 0.000 0.994 399 E CA 1.492 57.888 56.400 -0.007 0.000 0.800 399 E CB -0.107 29.591 29.700 -0.002 0.000 0.752 399 E HN 0.306 nan 8.360 nan 0.000 0.447 400 D N 0.576 120.971 120.400 -0.008 0.000 2.144 400 D HA -0.148 4.492 4.640 -0.000 0.000 0.199 400 D C 1.846 178.128 176.300 -0.031 0.000 0.984 400 D CA 0.992 54.987 54.000 -0.009 0.000 0.834 400 D CB -0.101 40.704 40.800 0.007 0.000 0.955 400 D HN 0.217 nan 8.370 nan 0.000 0.465 401 K N 0.166 120.549 120.400 -0.027 0.000 2.097 401 K HA -0.129 4.191 4.320 -0.000 0.000 0.206 401 K C 2.095 178.658 176.600 -0.062 0.000 1.049 401 K CA 0.364 56.626 56.287 -0.042 0.000 0.933 401 K CB -0.113 32.373 32.500 -0.023 0.000 0.717 401 K HN 0.045 nan 8.250 nan 0.000 0.442 402 L N 1.331 122.526 121.223 -0.046 0.000 2.027 402 L HA -0.173 4.167 4.340 -0.000 0.000 0.206 402 L C 2.390 179.215 176.870 -0.074 0.000 1.074 402 L CA 2.097 56.909 54.840 -0.047 0.000 0.745 402 L CB -0.910 41.133 42.059 -0.027 0.000 0.898 402 L HN 0.290 nan 8.230 nan 0.000 0.433 403 T N -3.896 110.614 114.554 -0.073 0.000 2.746 403 T HA -0.158 4.192 4.350 -0.000 0.000 0.267 403 T C 1.879 176.465 174.700 -0.191 0.000 1.039 403 T CA 1.501 63.548 62.100 -0.088 0.000 1.142 403 T CB -1.178 67.663 68.868 -0.045 0.000 0.866 403 T HN 0.151 nan 8.240 nan 0.000 0.444 404 V N 1.930 121.689 119.914 -0.258 0.000 2.261 404 V HA -0.192 3.928 4.120 -0.000 0.000 0.246 404 V C 3.089 178.920 176.094 -0.438 0.000 1.047 404 V CA 2.158 64.132 62.300 -0.543 0.000 1.015 404 V CB -1.086 30.505 31.823 -0.387 0.000 0.642 404 V HN 0.534 nan 8.190 nan 0.000 0.446 405 S N -0.191 115.368 115.700 -0.235 0.000 2.351 405 S HA -0.236 4.234 4.470 -0.000 0.000 0.220 405 S C 2.075 176.575 174.600 -0.166 0.000 1.035 405 S CA 1.798 59.902 58.200 -0.160 0.000 1.031 405 S CB -0.397 62.749 63.200 -0.090 0.000 0.928 405 S HN 0.524 nan 8.310 nan 0.000 0.433 406 R N 1.292 121.704 120.500 -0.146 0.000 2.083 406 R HA -0.060 4.280 4.340 -0.000 0.000 0.237 406 R C 2.636 178.854 176.300 -0.137 0.000 1.137 406 R CA 1.307 57.326 56.100 -0.134 0.000 0.951 406 R CB -0.652 29.598 30.300 -0.084 0.000 0.851 406 R HN 0.430 nan 8.270 nan 0.000 0.434 407 A N 1.388 124.116 122.820 -0.153 0.000 1.908 407 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 407 A C 2.123 179.667 177.584 -0.067 0.000 1.181 407 A CA 1.426 53.404 52.037 -0.099 0.000 0.627 407 A CB -0.393 18.514 19.000 -0.155 0.000 0.818 407 A HN 0.248 nan 8.150 nan 0.000 0.445 408 R N -0.440 119.968 120.500 -0.153 0.000 2.115 408 R HA -0.057 4.283 4.340 -0.000 0.000 0.230 408 R C 2.164 178.435 176.300 -0.049 0.000 1.111 408 R CA 1.483 57.552 56.100 -0.052 0.000 0.976 408 R CB -0.205 30.048 30.300 -0.078 0.000 0.870 408 R HN 0.519 nan 8.270 nan 0.000 0.445 409 K N 0.460 120.760 120.400 -0.167 0.000 2.057 409 K HA -0.049 4.271 4.320 -0.000 0.000 0.206 409 K C 2.057 178.466 176.600 -0.318 0.000 1.050 409 K CA 1.131 57.178 56.287 -0.400 0.000 0.935 409 K CB -0.055 31.983 32.500 -0.771 0.000 0.715 409 K HN 0.123 nan 8.250 nan 0.000 0.439 410 I N 1.312 121.807 120.570 -0.124 0.000 2.179 410 I HA -0.316 3.854 4.170 -0.000 0.000 0.242 410 I C 2.830 179.100 176.117 0.255 0.000 1.088 410 I CA 1.265 62.669 61.300 0.174 0.000 1.357 410 I CB -0.301 37.831 38.000 0.220 0.000 1.051 410 I HN 0.290 nan 8.210 nan 0.000 0.409 411 Q N 1.091 120.976 119.800 0.142 0.000 2.133 411 Q HA -0.273 4.067 4.340 -0.000 0.000 0.208 411 Q C 2.330 178.427 176.000 0.161 0.000 0.991 411 Q CA 1.977 57.862 55.803 0.137 0.000 0.867 411 Q CB 0.024 28.838 28.738 0.127 0.000 0.911 411 Q HN 0.425 nan 8.270 nan 0.000 0.417 412 R N -0.975 119.634 120.500 0.181 0.000 2.093 412 R HA -0.054 4.286 4.340 -0.000 0.000 0.224 412 R C 2.043 178.525 176.300 0.303 0.000 1.101 412 R CA 0.888 57.143 56.100 0.258 0.000 0.979 412 R CB -0.223 30.256 30.300 0.299 0.000 0.877 412 R HN 0.239 nan 8.270 nan 0.000 0.441 413 F N 1.404 121.426 119.950 0.120 0.000 2.408 413 F HA -0.040 4.487 4.527 -0.000 0.000 0.300 413 F C 1.460 177.359 175.800 0.164 0.000 1.090 413 F CA 0.961 59.010 58.000 0.083 0.000 1.427 413 F CB -0.054 38.854 39.000 -0.152 0.000 1.070 413 F HN -0.063 nan 8.300 nan 0.000 0.549 414 L N -0.342 120.990 121.223 0.182 0.000 2.217 414 L HA -0.067 4.273 4.340 -0.000 0.000 0.211 414 L C 1.443 178.302 176.870 -0.020 0.000 1.107 414 L CA 0.610 55.512 54.840 0.103 0.000 0.783 414 L CB -0.800 41.318 42.059 0.098 0.000 0.919 414 L HN 0.130 nan 8.230 nan 0.000 0.442 415 S N 0.103 115.800 115.700 -0.005 0.000 2.549 415 S HA 0.179 4.649 4.470 -0.000 0.000 0.283 415 S C -0.315 174.201 174.600 -0.140 0.000 1.320 415 S CA -0.454 57.698 58.200 -0.081 0.000 1.058 415 S CB 1.349 64.509 63.200 -0.066 0.000 0.882 415 S HN 0.297 nan 8.310 nan 0.000 0.498 416 Q N 2.620 122.313 119.800 -0.179 0.000 2.271 416 Q HA 0.418 4.758 4.340 -0.000 0.000 0.268 416 Q C -2.938 172.975 176.000 -0.145 0.000 1.021 416 Q CA -2.490 53.243 55.803 -0.115 0.000 0.802 416 Q CB 2.338 31.079 28.738 0.005 0.000 1.282 416 Q HN 0.532 nan 8.270 nan 0.000 0.431 417 P HA 0.086 nan 4.420 nan 0.000 0.271 417 P C -1.031 176.426 177.300 0.261 0.000 1.233 417 P CA 0.075 63.168 63.100 -0.012 0.000 0.764 417 P CB 0.214 31.909 31.700 -0.009 0.000 0.825 418 F N 2.073 122.031 119.950 0.013 0.000 2.404 418 F HA 0.247 4.774 4.527 -0.000 0.000 0.339 418 F C 2.038 177.858 175.800 0.033 0.000 1.105 418 F CA -1.045 56.973 58.000 0.031 0.000 1.087 418 F CB 1.095 40.124 39.000 0.049 0.000 1.143 418 F HN 0.428 nan 8.300 nan 0.000 0.491 419 Q N 1.765 121.668 119.800 0.172 0.000 2.124 419 Q HA -0.076 4.264 4.340 -0.000 0.000 0.202 419 Q C 1.198 177.247 176.000 0.083 0.000 0.977 419 Q CA 1.460 57.314 55.803 0.086 0.000 0.850 419 Q CB 0.169 28.922 28.738 0.026 0.000 0.901 419 Q HN 0.545 nan 8.270 nan 0.000 0.429 420 V N 0.379 120.353 119.914 0.100 0.000 3.444 420 V HA -0.020 4.100 4.120 -0.000 0.000 0.271 420 V C 1.252 177.452 176.094 0.176 0.000 1.188 420 V CA 1.185 63.547 62.300 0.104 0.000 1.168 420 V CB -0.094 31.783 31.823 0.089 0.000 0.810 420 V HN 0.407 nan 8.190 nan 0.000 0.500 421 A N -1.049 121.902 122.820 0.218 0.000 2.610 421 A HA 0.314 4.634 4.320 -0.000 0.000 0.291 421 A C 1.489 179.162 177.584 0.148 0.000 1.116 421 A CA -0.249 51.958 52.037 0.283 0.000 0.963 421 A CB 0.048 19.215 19.000 0.279 0.000 1.220 421 A HN 0.411 nan 8.150 nan 0.000 0.530 422 E N -0.111 120.124 120.200 0.058 0.000 2.160 422 E HA -0.145 4.205 4.350 -0.000 0.000 0.195 422 E C 1.408 177.959 176.600 -0.082 0.000 0.991 422 E CA 1.479 57.890 56.400 0.018 0.000 0.810 422 E CB -0.109 29.596 29.700 0.008 0.000 0.742 422 E HN 0.446 nan 8.360 nan 0.000 0.466 423 V N 0.427 120.181 119.914 -0.267 0.000 3.078 423 V HA -0.185 3.935 4.120 -0.000 0.000 0.265 423 V C 1.225 176.972 176.094 -0.578 0.000 1.122 423 V CA 1.402 63.412 62.300 -0.484 0.000 1.141 423 V CB -0.524 30.857 31.823 -0.737 0.000 0.735 423 V HN 0.192 nan 8.190 nan 0.000 0.498 424 F N -0.031 119.911 119.950 -0.014 0.000 2.577 424 F HA 0.056 4.583 4.527 -0.000 0.000 0.276 424 F C 2.611 178.401 175.800 -0.017 0.000 1.032 424 F CA 0.938 58.915 58.000 -0.039 0.000 1.297 424 F CB -1.142 37.787 39.000 -0.118 0.000 1.061 424 F HN 0.132 nan 8.300 nan 0.000 0.680 425 T N -2.210 112.438 114.554 0.156 0.000 2.821 425 T HA 0.146 4.496 4.350 -0.000 0.000 0.267 425 T C 1.887 176.751 174.700 0.274 0.000 1.046 425 T CA 0.981 63.149 62.100 0.112 0.000 1.139 425 T CB -0.924 67.963 68.868 0.031 0.000 0.871 425 T HN 0.550 nan 8.240 nan 0.000 0.454 426 G N 1.398 110.313 108.800 0.192 0.000 2.221 426 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.265 426 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.265 426 G C -0.271 174.707 174.900 0.129 0.000 1.041 426 G CA 0.305 45.491 45.100 0.143 0.000 0.807 426 G HN 0.884 nan 8.290 nan 0.000 0.502 427 H N -1.984 117.086 119.070 -0.001 0.000 2.851 427 H HA 0.606 5.162 4.556 -0.000 0.000 0.372 427 H C 0.106 175.437 175.328 0.005 0.000 1.158 427 H CA -0.880 55.167 56.048 -0.001 0.000 1.159 427 H CB 1.467 31.221 29.762 -0.013 0.000 1.757 427 H HN 0.326 nan 8.280 nan 0.000 0.546 428 L N 1.467 122.746 121.223 0.092 0.000 2.483 428 L HA 0.349 4.689 4.340 -0.000 0.000 0.276 428 L C 0.787 177.710 176.870 0.088 0.000 1.213 428 L CA 0.275 55.151 54.840 0.061 0.000 0.843 428 L CB 0.384 42.462 42.059 0.030 0.000 1.107 428 L HN 0.847 nan 8.230 nan 0.000 0.487 429 G N 4.211 113.054 108.800 0.072 0.000 2.299 429 G HA2 0.224 4.184 3.960 -0.000 0.000 0.256 429 G HA3 0.224 4.184 3.960 -0.000 0.000 0.256 429 G C -0.470 174.473 174.900 0.072 0.000 1.259 429 G CA -0.485 44.666 45.100 0.085 0.000 0.943 429 G HN 0.511 nan 8.290 nan 0.000 0.479 430 K N 1.823 122.278 120.400 0.091 0.000 2.221 430 K HA 0.505 4.825 4.320 -0.000 0.000 0.258 430 K C -1.061 175.582 176.600 0.071 0.000 0.944 430 K CA -1.035 55.295 56.287 0.071 0.000 0.823 430 K CB 2.619 35.161 32.500 0.071 0.000 1.113 430 K HN 0.305 nan 8.250 nan 0.000 0.431 431 L N 2.111 123.362 121.223 0.047 0.000 2.362 431 L HA 0.450 4.790 4.340 -0.000 0.000 0.275 431 L C -1.222 175.669 176.870 0.035 0.000 0.998 431 L CA -0.810 54.052 54.840 0.035 0.000 0.820 431 L CB 2.080 44.149 42.059 0.017 0.000 1.270 431 L HN 0.321 nan 8.230 nan 0.000 0.415 432 V N 5.675 125.609 119.914 0.032 0.000 2.448 432 V HA 0.529 4.649 4.120 -0.000 0.000 0.295 432 V C -2.247 173.863 176.094 0.026 0.000 1.025 432 V CA -1.656 60.663 62.300 0.032 0.000 0.859 432 V CB 1.639 33.476 31.823 0.022 0.000 0.988 432 V HN 0.676 nan 8.190 nan 0.000 0.431 433 P HA 0.164 nan 4.420 nan 0.000 0.271 433 P C 0.736 178.049 177.300 0.021 0.000 1.218 433 P CA -0.386 62.729 63.100 0.025 0.000 0.780 433 P CB 0.852 32.569 31.700 0.029 0.000 0.901 434 L N 4.651 125.878 121.223 0.007 0.000 2.051 434 L HA -0.259 4.081 4.340 -0.000 0.000 0.214 434 L C 2.134 178.991 176.870 -0.022 0.000 1.076 434 L CA 2.079 56.904 54.840 -0.024 0.000 0.758 434 L CB -1.063 40.978 42.059 -0.030 0.000 0.890 434 L HN 0.385 nan 8.230 nan 0.000 0.433 435 K N -1.627 118.776 120.400 0.005 0.000 2.063 435 K HA -0.194 4.126 4.320 -0.000 0.000 0.208 435 K C 1.737 178.364 176.600 0.044 0.000 1.048 435 K CA 1.665 57.964 56.287 0.020 0.000 0.928 435 K CB -0.592 31.925 32.500 0.028 0.000 0.713 435 K HN 0.313 nan 8.250 nan 0.000 0.442 436 E N 0.802 121.036 120.200 0.056 0.000 2.152 436 E HA -0.065 4.285 4.350 -0.000 0.000 0.192 436 E C 2.130 178.808 176.600 0.130 0.000 0.983 436 E CA 1.342 57.794 56.400 0.086 0.000 0.818 436 E CB -0.376 29.372 29.700 0.080 0.000 0.758 436 E HN 0.429 nan 8.360 nan 0.000 0.467 437 T N 2.237 116.858 114.554 0.113 0.000 2.708 437 T HA -0.098 4.252 4.350 -0.000 0.000 0.266 437 T C 1.956 176.834 174.700 0.298 0.000 1.037 437 T CA 0.841 63.052 62.100 0.185 0.000 1.146 437 T CB -0.061 68.873 68.868 0.110 0.000 0.865 437 T HN 0.040 nan 8.240 nan 0.000 0.435 438 I N 1.589 122.244 120.570 0.141 0.000 2.127 438 I HA -0.138 4.032 4.170 -0.000 0.000 0.241 438 I C 2.439 178.670 176.117 0.190 0.000 1.075 438 I CA 1.510 62.887 61.300 0.129 0.000 1.334 438 I CB -1.199 36.802 38.000 0.001 0.000 1.040 438 I HN 0.282 nan 8.210 nan 0.000 0.405 439 K N 1.053 121.538 120.400 0.142 0.000 2.009 439 K HA -0.178 4.142 4.320 -0.000 0.000 0.210 439 K C 2.224 178.915 176.600 0.152 0.000 1.049 439 K CA 1.905 58.269 56.287 0.127 0.000 0.929 439 K CB -0.558 32.001 32.500 0.097 0.000 0.714 439 K HN 0.336 nan 8.250 nan 0.000 0.440 440 G N 0.408 109.310 108.800 0.170 0.000 2.513 440 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.219 440 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.219 440 G C 1.248 176.153 174.900 0.007 0.000 1.160 440 G CA 1.108 46.259 45.100 0.084 0.000 0.767 440 G HN 0.319 nan 8.290 nan 0.000 0.571 441 F N 0.723 120.848 119.950 0.291 0.000 2.367 441 F HA 0.086 4.613 4.527 -0.000 0.000 0.298 441 F C 3.022 178.890 175.800 0.113 0.000 1.094 441 F CA 1.094 59.217 58.000 0.205 0.000 1.409 441 F CB -0.221 38.884 39.000 0.174 0.000 1.064 441 F HN 0.160 nan 8.300 nan 0.000 0.528 442 Q N 0.070 120.020 119.800 0.251 0.000 2.050 442 Q HA -0.253 4.087 4.340 -0.000 0.000 0.202 442 Q C 2.169 178.231 176.000 0.104 0.000 0.980 442 Q CA 1.788 57.683 55.803 0.152 0.000 0.840 442 Q CB -0.347 28.461 28.738 0.118 0.000 0.898 442 Q HN 0.525 nan 8.270 nan 0.000 0.424 443 Q N 0.275 120.136 119.800 0.101 0.000 2.050 443 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 443 Q C 2.115 178.146 176.000 0.053 0.000 0.980 443 Q CA 1.230 57.060 55.803 0.044 0.000 0.840 443 Q CB -0.136 28.669 28.738 0.112 0.000 0.898 443 Q HN 0.417 nan 8.270 nan 0.000 0.424 444 I N 0.506 121.160 120.570 0.139 0.000 2.226 444 I HA -0.280 3.890 4.170 -0.000 0.000 0.245 444 I C 2.160 178.301 176.117 0.040 0.000 1.100 444 I CA 1.048 62.403 61.300 0.091 0.000 1.374 444 I CB -0.286 37.679 38.000 -0.057 0.000 1.057 444 I HN 0.203 nan 8.210 nan 0.000 0.413 445 L N 0.691 121.957 121.223 0.072 0.000 2.083 445 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 445 L C 2.686 179.571 176.870 0.025 0.000 1.083 445 L CA 1.207 56.080 54.840 0.054 0.000 0.752 445 L CB -0.604 41.503 42.059 0.080 0.000 0.899 445 L HN 0.236 nan 8.230 nan 0.000 0.433 446 A N -0.399 122.432 122.820 0.018 0.000 2.209 446 A HA 0.120 4.440 4.320 -0.000 0.000 0.212 446 A C 1.816 179.386 177.584 -0.022 0.000 1.158 446 A CA 0.911 52.945 52.037 -0.005 0.000 0.742 446 A CB -0.692 18.298 19.000 -0.017 0.000 0.790 446 A HN 0.569 nan 8.150 nan 0.000 0.472 447 G N -0.687 108.100 108.800 -0.022 0.000 2.148 447 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.254 447 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.254 447 G C 0.473 175.342 174.900 -0.051 0.000 0.981 447 G CA 0.670 45.757 45.100 -0.022 0.000 0.670 447 G HN 0.638 nan 8.290 nan 0.000 0.528 448 E N -1.203 118.908 120.200 -0.148 0.000 2.333 448 E HA -0.054 4.296 4.350 -0.000 0.000 0.198 448 E C 0.963 177.312 176.600 -0.417 0.000 1.007 448 E CA 0.975 57.196 56.400 -0.298 0.000 0.845 448 E CB -0.070 29.339 29.700 -0.485 0.000 0.766 448 E HN 0.752 nan 8.360 nan 0.000 0.507 449 Y N 0.049 120.307 120.300 -0.070 0.000 2.660 449 Y HA 0.142 4.692 4.550 -0.000 0.000 0.254 449 Y C -0.205 175.498 175.900 -0.329 0.000 1.176 449 Y CA -0.709 57.236 58.100 -0.259 0.000 1.195 449 Y CB 0.481 38.932 38.460 -0.016 0.000 1.190 449 Y HN -0.167 nan 8.280 nan 0.000 0.535 450 D N 1.765 122.147 120.400 -0.030 0.000 2.597 450 D HA 0.030 4.670 4.640 -0.000 0.000 0.228 450 D C 1.064 177.451 176.300 0.145 0.000 1.120 450 D CA 0.737 54.760 54.000 0.039 0.000 1.083 450 D CB -0.637 40.200 40.800 0.062 0.000 1.116 450 D HN 0.666 nan 8.370 nan 0.000 0.487 451 H N -1.160 117.972 119.070 0.104 0.000 1.955 451 H HA -0.001 4.555 4.556 -0.000 0.000 0.130 451 H C -0.491 174.894 175.328 0.095 0.000 1.019 451 H CA -0.283 55.812 56.048 0.078 0.000 0.509 451 H CB -0.607 29.188 29.762 0.055 0.000 0.580 451 H HN 0.088 nan 8.280 nan 0.000 0.310 452 L N 4.553 125.732 121.223 -0.073 0.000 2.325 452 L HA 0.456 4.796 4.340 -0.000 0.000 0.279 452 L C -2.058 174.871 176.870 0.098 0.000 1.054 452 L CA -1.860 52.983 54.840 0.005 0.000 0.804 452 L CB 1.464 43.469 42.059 -0.089 0.000 1.200 452 L HN -0.081 nan 8.230 nan 0.000 0.436 453 P HA 0.038 nan 4.420 nan 0.000 0.268 453 P C -0.086 177.314 177.300 0.167 0.000 1.204 453 P CA -0.082 63.066 63.100 0.081 0.000 0.768 453 P CB 0.871 32.593 31.700 0.037 0.000 0.842 454 E N 1.980 122.292 120.200 0.186 0.000 2.097 454 E HA -0.252 4.098 4.350 -0.000 0.000 0.196 454 E C 1.957 178.731 176.600 0.290 0.000 1.000 454 E CA 1.226 57.785 56.400 0.266 0.000 0.804 454 E CB -0.127 29.642 29.700 0.114 0.000 0.740 454 E HN 0.585 nan 8.360 nan 0.000 0.454 455 Q N 0.551 120.442 119.800 0.152 0.000 2.297 455 Q HA -0.112 4.228 4.340 -0.000 0.000 0.208 455 Q C 1.990 178.072 176.000 0.136 0.000 0.981 455 Q CA 1.429 57.314 55.803 0.137 0.000 0.876 455 Q CB -0.348 28.430 28.738 0.067 0.000 0.921 455 Q HN 0.242 nan 8.270 nan 0.000 0.446 456 A N 0.207 123.035 122.820 0.014 0.000 2.172 456 A HA 0.015 4.335 4.320 -0.000 0.000 0.216 456 A C 1.122 178.499 177.584 -0.346 0.000 1.154 456 A CA 0.514 52.420 52.037 -0.218 0.000 0.701 456 A CB -0.497 18.245 19.000 -0.429 0.000 0.789 456 A HN 0.328 nan 8.150 nan 0.000 0.465 457 F N -2.860 117.101 119.950 0.019 0.000 2.695 457 F HA 0.250 4.777 4.527 -0.000 0.000 0.303 457 F C 0.473 176.374 175.800 0.168 0.000 1.091 457 F CA -0.591 57.439 58.000 0.049 0.000 1.300 457 F CB 0.013 39.019 39.000 0.011 0.000 1.071 457 F HN 0.260 nan 8.300 nan 0.000 0.578 458 Y N 1.743 122.140 120.300 0.162 0.000 2.336 458 Y HA 0.355 4.905 4.550 -0.000 0.000 0.335 458 Y C 0.653 176.566 175.900 0.021 0.000 1.046 458 Y CA -1.552 56.605 58.100 0.095 0.000 1.198 458 Y CB 0.318 38.821 38.460 0.070 0.000 1.182 458 Y HN 0.067 nan 8.280 nan 0.000 0.502 459 M N 6.079 125.325 119.600 -0.590 0.000 2.350 459 M HA -0.160 4.320 4.480 -0.000 0.000 0.190 459 M C -1.227 174.935 176.300 -0.230 0.000 0.710 459 M CA 0.933 55.862 55.300 -0.618 0.000 0.495 459 M CB -2.545 29.358 32.600 -1.163 0.000 1.136 459 M HN 0.445 nan 8.290 nan 0.000 0.901 460 V N -2.737 117.141 119.914 -0.060 0.000 3.126 460 V HA 1.099 5.219 4.120 -0.000 0.000 0.314 460 V C 0.607 176.739 176.094 0.064 0.000 1.138 460 V CA -0.074 62.254 62.300 0.047 0.000 1.034 460 V CB 1.813 33.696 31.823 0.099 0.000 1.075 460 V HN 0.461 nan 8.190 nan 0.000 0.442 461 G N -0.033 108.819 108.800 0.087 0.000 3.387 461 G HA2 0.521 4.481 3.960 -0.000 0.000 0.195 461 G HA3 0.521 4.481 3.960 -0.000 0.000 0.195 461 G C -2.349 172.638 174.900 0.145 0.000 1.853 461 G CA -0.583 44.564 45.100 0.078 0.000 0.879 461 G HN 0.786 nan 8.290 nan 0.000 0.651 462 P HA 0.067 nan 4.420 nan 0.000 0.270 462 P C 0.732 178.136 177.300 0.173 0.000 1.223 462 P CA -0.391 62.807 63.100 0.162 0.000 0.785 462 P CB 1.371 33.123 31.700 0.086 0.000 0.923 463 I N 1.505 122.162 120.570 0.144 0.000 2.399 463 I HA -0.286 3.884 4.170 -0.000 0.000 0.254 463 I C 1.826 177.812 176.117 -0.220 0.000 1.146 463 I CA 1.786 62.950 61.300 -0.227 0.000 1.412 463 I CB -0.775 37.042 38.000 -0.305 0.000 1.076 463 I HN 0.263 nan 8.210 nan 0.000 0.432 464 E N 0.746 120.900 120.200 -0.077 0.000 2.070 464 E HA -0.255 4.095 4.350 -0.000 0.000 0.197 464 E C 2.140 178.678 176.600 -0.103 0.000 1.004 464 E CA 1.846 58.206 56.400 -0.067 0.000 0.805 464 E CB -0.360 29.332 29.700 -0.013 0.000 0.744 464 E HN 0.603 nan 8.360 nan 0.000 0.451 465 E N -0.055 120.101 120.200 -0.072 0.000 2.153 465 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 465 E C 1.974 178.478 176.600 -0.160 0.000 0.988 465 E CA 0.824 57.181 56.400 -0.071 0.000 0.811 465 E CB -0.147 29.548 29.700 -0.008 0.000 0.746 465 E HN 0.284 nan 8.360 nan 0.000 0.466 466 A N 0.949 123.598 122.820 -0.286 0.000 1.877 466 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 466 A C 2.518 179.757 177.584 -0.574 0.000 1.186 466 A CA 1.274 52.972 52.037 -0.565 0.000 0.620 466 A CB -0.651 17.764 19.000 -0.976 0.000 0.822 466 A HN 0.114 nan 8.150 nan 0.000 0.443 467 V N -0.006 119.624 119.914 -0.472 0.000 2.295 467 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 467 V C 3.057 179.046 176.094 -0.175 0.000 1.049 467 V CA 1.910 64.031 62.300 -0.299 0.000 1.024 467 V CB -1.488 30.250 31.823 -0.142 0.000 0.648 467 V HN 0.609 nan 8.190 nan 0.000 0.447 468 A N 0.093 122.831 122.820 -0.137 0.000 1.892 468 A HA -0.322 3.998 4.320 -0.000 0.000 0.218 468 A C 2.365 179.899 177.584 -0.083 0.000 1.188 468 A CA 2.506 54.494 52.037 -0.082 0.000 0.631 468 A CB -0.577 18.386 19.000 -0.060 0.000 0.822 468 A HN 0.544 nan 8.150 nan 0.000 0.447 469 K N -0.472 119.861 120.400 -0.111 0.000 2.097 469 K HA -0.061 4.259 4.320 -0.000 0.000 0.206 469 K C 2.135 178.679 176.600 -0.093 0.000 1.049 469 K CA 1.167 57.403 56.287 -0.085 0.000 0.933 469 K CB -0.334 32.116 32.500 -0.084 0.000 0.717 469 K HN 0.377 nan 8.250 nan 0.000 0.442 470 A N 1.718 124.447 122.820 -0.151 0.000 1.908 470 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 470 A C 1.680 179.231 177.584 -0.056 0.000 1.181 470 A CA 2.024 53.987 52.037 -0.123 0.000 0.627 470 A CB -0.575 18.320 19.000 -0.175 0.000 0.818 470 A HN 0.411 nan 8.150 nan 0.000 0.445 471 D N -0.485 119.886 120.400 -0.049 0.000 2.097 471 D HA -0.160 4.480 4.640 -0.000 0.000 0.195 471 D C 1.888 178.177 176.300 -0.018 0.000 0.989 471 D CA 1.543 55.531 54.000 -0.021 0.000 0.827 471 D CB -0.308 40.481 40.800 -0.018 0.000 0.966 471 D HN 0.565 nan 8.370 nan 0.000 0.456 472 K N 0.728 121.114 120.400 -0.024 0.000 2.152 472 K HA -0.110 4.210 4.320 -0.000 0.000 0.206 472 K C 2.290 178.884 176.600 -0.010 0.000 1.048 472 K CA 0.637 56.915 56.287 -0.016 0.000 0.933 472 K CB -0.051 32.438 32.500 -0.018 0.000 0.721 472 K HN 0.118 nan 8.250 nan 0.000 0.447 473 L N 0.478 121.694 121.223 -0.012 0.000 2.072 473 L HA -0.005 4.335 4.340 -0.000 0.000 0.205 473 L C 1.150 178.021 176.870 0.001 0.000 1.079 473 L CA 0.521 55.360 54.840 -0.003 0.000 0.752 473 L CB -0.681 41.375 42.059 -0.005 0.000 0.906 473 L HN 0.352 nan 8.230 nan 0.000 0.436 474 A N 0.000 122.820 122.820 0.000 0.000 2.254 474 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 474 A CA 0.000 52.041 52.037 0.007 0.000 0.836 474 A CB 0.000 19.003 19.000 0.005 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486