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 2jj2_1_D 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 KADKLAE 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 0.000 174.827 174.700 0.212 0.000 1.109 9 T CA 0.000 62.177 62.100 0.128 0.000 1.349 9 T CB 0.000 68.955 68.868 0.145 0.000 0.612 10 T N 1.521 116.162 114.554 0.145 0.000 2.794 10 T HA 0.765 5.116 4.350 0.003 0.000 0.280 10 T C 0.616 175.216 174.700 -0.166 0.000 0.987 10 T CA -0.387 61.736 62.100 0.038 0.000 0.993 10 T CB 1.439 70.296 68.868 -0.018 0.000 0.939 10 T HN 1.093 nan 8.240 nan 0.000 0.449 11 G N 1.671 110.110 108.800 -0.602 0.000 2.644 11 G HA2 0.743 4.705 3.960 0.003 0.000 0.307 11 G HA3 0.743 4.705 3.960 0.003 0.000 0.307 11 G C -1.139 173.391 174.900 -0.617 0.000 1.250 11 G CA -0.981 43.372 45.100 -1.245 0.000 0.996 11 G HN 0.563 nan 8.290 nan 0.000 0.489 12 R N -0.527 119.674 120.500 -0.499 0.000 2.575 12 R HA 0.378 4.719 4.340 0.003 0.000 0.293 12 R C -0.231 175.951 176.300 -0.197 0.000 0.983 12 R CA -0.680 55.264 56.100 -0.261 0.000 0.887 12 R CB 2.225 32.420 30.300 -0.176 0.000 1.184 12 R HN 0.433 nan 8.270 nan 0.000 0.445 13 I N 3.746 124.238 120.570 -0.131 0.000 2.741 13 I HA -0.110 4.062 4.170 0.003 0.000 0.288 13 I C 1.458 177.538 176.117 -0.063 0.000 1.192 13 I CA 0.289 61.542 61.300 -0.078 0.000 1.426 13 I CB 0.664 38.634 38.000 -0.050 0.000 1.367 13 I HN 0.565 nan 8.210 nan 0.000 0.563 14 V N 2.929 122.816 119.914 -0.045 0.000 3.455 14 V HA 0.558 4.680 4.120 0.003 0.000 0.250 14 V C 0.602 176.684 176.094 -0.019 0.000 1.230 14 V CA 0.414 62.695 62.300 -0.033 0.000 1.105 14 V CB 0.180 31.985 31.823 -0.030 0.000 0.850 14 V HN 0.729 nan 8.190 nan 0.000 0.461 15 A N -0.095 122.717 122.820 -0.013 0.000 2.520 15 A HA 0.821 5.142 4.320 0.003 0.000 0.298 15 A C -1.237 176.345 177.584 -0.004 0.000 1.051 15 A CA -0.417 51.615 52.037 -0.007 0.000 0.690 15 A CB 2.305 21.304 19.000 -0.002 0.000 1.281 15 A HN 0.527 nan 8.150 nan 0.000 0.402 16 V N 2.944 122.856 119.914 -0.004 0.000 2.447 16 V HA 0.462 4.584 4.120 0.003 0.000 0.292 16 V C -0.829 175.265 176.094 -0.001 0.000 1.021 16 V CA -0.017 62.282 62.300 -0.002 0.000 0.850 16 V CB 1.023 32.844 31.823 -0.003 0.000 1.005 16 V HN 0.701 nan 8.190 nan 0.000 0.426 17 I N 4.268 124.838 120.570 0.001 0.000 2.439 17 I HA 0.656 4.827 4.170 0.003 0.000 0.283 17 I C 1.130 177.247 176.117 -0.000 0.000 1.023 17 I CA -0.131 61.169 61.300 0.000 0.000 1.100 17 I CB 1.518 39.518 38.000 0.000 0.000 1.238 17 I HN 0.792 nan 8.210 nan 0.000 0.445 18 G N 4.801 113.601 108.800 -0.001 0.000 2.651 18 G HA2 -0.394 3.567 3.960 0.003 0.000 0.315 18 G HA3 -0.394 3.567 3.960 0.003 0.000 0.315 18 G C 0.998 175.899 174.900 0.000 0.000 1.258 18 G CA 0.705 45.805 45.100 -0.001 0.000 1.002 18 G HN 0.858 nan 8.290 nan 0.000 0.551 19 A N -0.894 121.926 122.820 -0.001 0.000 2.168 19 A HA 0.493 4.815 4.320 0.003 0.000 0.215 19 A C 1.211 178.798 177.584 0.005 0.000 1.152 19 A CA 1.806 53.844 52.037 0.001 0.000 0.716 19 A CB -0.087 18.912 19.000 -0.003 0.000 0.794 19 A HN 1.360 nan 8.150 nan 0.000 0.465 20 V N 1.140 121.057 119.914 0.005 0.000 2.383 20 V HA 0.375 4.497 4.120 0.003 0.000 0.275 20 V C -0.501 175.600 176.094 0.011 0.000 1.036 20 V CA -0.340 61.965 62.300 0.009 0.000 0.889 20 V CB 1.237 33.064 31.823 0.007 0.000 0.985 20 V HN 0.104 nan 8.190 nan 0.000 0.459 21 V N 3.987 123.912 119.914 0.018 0.000 2.487 21 V HA 0.471 4.592 4.120 0.003 0.000 0.298 21 V C -0.778 175.332 176.094 0.027 0.000 1.028 21 V CA -0.835 61.476 62.300 0.018 0.000 0.860 21 V CB 2.072 33.906 31.823 0.018 0.000 0.991 21 V HN 0.788 nan 8.190 nan 0.000 0.427 22 D N 3.095 123.506 120.400 0.019 0.000 2.198 22 D HA 0.598 5.240 4.640 0.003 0.000 0.245 22 D C -0.555 175.754 176.300 0.016 0.000 1.079 22 D CA -0.018 53.998 54.000 0.025 0.000 0.854 22 D CB 2.098 42.907 40.800 0.016 0.000 1.148 22 D HN 0.277 nan 8.370 nan 0.000 0.456 23 V N 2.490 122.429 119.914 0.041 0.000 2.531 23 V HA 0.281 4.402 4.120 0.003 0.000 0.301 23 V C -0.171 175.927 176.094 0.007 0.000 1.034 23 V CA -0.897 61.401 62.300 -0.004 0.000 0.865 23 V CB 1.823 33.673 31.823 0.045 0.000 0.995 23 V HN 0.399 nan 8.190 nan 0.000 0.424 24 Q N 3.110 122.840 119.800 -0.116 0.000 2.257 24 Q HA 0.594 4.936 4.340 0.003 0.000 0.255 24 Q C -1.795 174.060 176.000 -0.242 0.000 0.920 24 Q CA -0.408 55.349 55.803 -0.076 0.000 0.927 24 Q CB 1.151 29.851 28.738 -0.063 0.000 1.229 24 Q HN 0.633 nan 8.270 nan 0.000 0.433 25 F N 2.520 122.438 119.950 -0.053 0.000 2.467 25 F HA 0.229 4.757 4.527 0.002 0.000 0.336 25 F C 0.612 176.386 175.800 -0.043 0.000 1.123 25 F CA -0.676 57.295 58.000 -0.048 0.000 0.964 25 F CB 1.699 40.662 39.000 -0.061 0.000 1.136 25 F HN 0.629 nan 8.300 nan 0.000 0.447 26 D N 1.652 122.107 120.400 0.093 0.000 2.183 26 D HA -0.030 4.611 4.640 0.003 0.000 0.205 26 D C 1.166 177.504 176.300 0.063 0.000 0.962 26 D CA 1.249 55.280 54.000 0.053 0.000 0.849 26 D CB 0.353 41.162 40.800 0.015 0.000 0.978 26 D HN 0.575 nan 8.370 nan 0.000 0.488 27 E N 0.285 120.539 120.200 0.090 0.000 3.277 27 E HA 0.375 4.726 4.350 0.003 0.000 0.426 27 E C 0.889 177.522 176.600 0.055 0.000 0.326 27 E CA -0.141 56.297 56.400 0.064 0.000 2.454 27 E CB -0.537 29.199 29.700 0.060 0.000 2.219 27 E HN 0.020 nan 8.360 nan 0.000 0.459 28 G N 0.511 109.332 108.800 0.037 0.000 2.406 28 G HA2 0.343 4.305 3.960 0.003 0.000 0.251 28 G HA3 0.343 4.305 3.960 0.003 0.000 0.251 28 G C -0.911 173.917 174.900 -0.119 0.000 1.271 28 G CA -0.310 44.774 45.100 -0.026 0.000 0.859 28 G HN 0.067 nan 8.290 nan 0.000 0.540 29 L N 4.951 126.078 121.223 -0.161 0.000 2.265 29 L HA 0.382 4.724 4.340 0.003 0.000 0.288 29 L C -1.625 175.056 176.870 -0.314 0.000 1.058 29 L CA -2.001 52.648 54.840 -0.319 0.000 0.809 29 L CB 1.256 43.149 42.059 -0.277 0.000 1.179 29 L HN 0.336 nan 8.230 nan 0.000 0.429 30 P HA 0.197 nan 4.420 nan 0.000 0.271 30 P C -2.707 174.590 177.300 -0.006 0.000 1.220 30 P CA -1.227 61.697 63.100 -0.293 0.000 0.768 30 P CB 0.032 31.470 31.700 -0.437 0.000 0.848 31 P HA 0.128 nan 4.420 nan 0.000 0.272 31 P C 0.501 177.797 177.300 -0.007 0.000 1.223 31 P CA -0.156 62.964 63.100 0.033 0.000 0.784 31 P CB 0.713 32.389 31.700 -0.041 0.000 0.923 32 I N 2.322 122.806 120.570 -0.143 0.000 2.880 32 I HA -0.199 3.973 4.170 0.003 0.000 0.296 32 I C 1.698 177.738 176.117 -0.127 0.000 1.220 32 I CA 0.856 62.075 61.300 -0.134 0.000 1.435 32 I CB -0.358 37.516 38.000 -0.210 0.000 1.339 32 I HN 0.462 nan 8.210 nan 0.000 0.583 33 L N 1.513 122.658 121.223 -0.131 0.000 4.110 33 L HA -0.262 4.080 4.340 0.003 0.000 0.404 33 L C 0.323 177.138 176.870 -0.091 0.000 0.763 33 L CA 0.137 54.857 54.840 -0.200 0.000 2.413 33 L CB -1.467 40.381 42.059 -0.352 0.000 1.244 33 L HN 0.693 nan 8.230 nan 0.000 0.614 34 N N 1.160 119.829 118.700 -0.051 0.000 2.441 34 N HA 0.434 5.175 4.740 0.003 0.000 0.251 34 N C 0.246 175.761 175.510 0.008 0.000 1.242 34 N CA 0.997 54.034 53.050 -0.021 0.000 0.898 34 N CB 0.798 39.262 38.487 -0.039 0.000 1.100 34 N HN 0.310 nan 8.380 nan 0.000 0.443 35 A N 2.787 125.622 122.820 0.024 0.000 2.276 35 A HA 0.501 4.823 4.320 0.003 0.000 0.300 35 A C -0.309 177.302 177.584 0.044 0.000 1.235 35 A CA -0.543 51.519 52.037 0.042 0.000 0.867 35 A CB -0.031 18.999 19.000 0.049 0.000 1.137 35 A HN 0.621 nan 8.150 nan 0.000 0.527 36 L N 2.082 123.344 121.223 0.064 0.000 2.334 36 L HA 0.500 4.841 4.340 0.003 0.000 0.275 36 L C -0.064 176.851 176.870 0.074 0.000 1.036 36 L CA -0.715 54.181 54.840 0.093 0.000 0.807 36 L CB 1.495 43.647 42.059 0.155 0.000 1.231 36 L HN 0.593 nan 8.230 nan 0.000 0.438 37 E N 2.311 122.553 120.200 0.070 0.000 2.129 37 E HA 0.277 4.629 4.350 0.003 0.000 0.268 37 E C -0.913 175.710 176.600 0.038 0.000 0.900 37 E CA -0.596 55.831 56.400 0.046 0.000 0.755 37 E CB 2.438 32.159 29.700 0.034 0.000 1.117 37 E HN 0.201 nan 8.360 nan 0.000 0.410 38 V N 4.373 124.303 119.914 0.028 0.000 2.470 38 V HA -0.029 4.093 4.120 0.003 0.000 0.276 38 V C 0.671 176.768 176.094 0.005 0.000 1.040 38 V CA -0.323 61.984 62.300 0.012 0.000 1.008 38 V CB 0.604 32.432 31.823 0.010 0.000 0.990 38 V HN 0.472 nan 8.190 nan 0.000 0.477 39 Q N 2.632 122.430 119.800 -0.004 0.000 2.354 39 Q HA 0.368 4.710 4.340 0.003 0.000 0.244 39 Q C 1.141 177.137 176.000 -0.008 0.000 0.969 39 Q CA 0.543 56.343 55.803 -0.006 0.000 0.885 39 Q CB 0.814 29.545 28.738 -0.012 0.000 1.241 39 Q HN 1.163 nan 8.270 nan 0.000 0.461 40 G N 1.987 110.783 108.800 -0.006 0.000 2.298 40 G HA2 -0.230 3.732 3.960 0.003 0.000 0.287 40 G HA3 -0.230 3.732 3.960 0.003 0.000 0.287 40 G C -0.282 174.616 174.900 -0.004 0.000 1.075 40 G CA 0.026 45.123 45.100 -0.006 0.000 0.960 40 G HN 0.316 nan 8.290 nan 0.000 0.502 41 R N -0.778 119.721 120.500 -0.001 0.000 2.854 41 R HA 0.475 4.817 4.340 0.003 0.000 0.271 41 R C 0.924 177.225 176.300 0.002 0.000 0.994 41 R CA -0.546 55.554 56.100 0.001 0.000 0.945 41 R CB 1.159 31.461 30.300 0.004 0.000 1.194 41 R HN 0.362 nan 8.270 nan 0.000 0.476 42 E N 0.749 120.951 120.200 0.003 0.000 2.046 42 E HA -0.061 4.291 4.350 0.003 0.000 0.190 42 E C -0.216 176.387 176.600 0.005 0.000 0.982 42 E CA 1.102 57.504 56.400 0.003 0.000 0.800 42 E CB 0.343 30.045 29.700 0.003 0.000 0.756 42 E HN 0.637 nan 8.360 nan 0.000 0.449 43 T N -1.174 113.383 114.554 0.006 0.000 2.888 43 T HA 0.356 4.707 4.350 0.003 0.000 0.284 43 T C -0.133 174.574 174.700 0.011 0.000 1.017 43 T CA -0.930 61.175 62.100 0.008 0.000 1.022 43 T CB 1.830 70.703 68.868 0.008 0.000 1.013 43 T HN 0.043 nan 8.240 nan 0.000 0.465 44 R N 1.383 121.892 120.500 0.014 0.000 2.488 44 R HA 0.140 4.482 4.340 0.003 0.000 0.317 44 R C -0.858 175.454 176.300 0.019 0.000 0.941 44 R CA -0.376 55.734 56.100 0.017 0.000 1.076 44 R CB -0.239 30.073 30.300 0.021 0.000 0.917 44 R HN 0.573 nan 8.270 nan 0.000 0.407 45 L N 6.327 127.561 121.223 0.018 0.000 2.276 45 L HA 0.325 4.666 4.340 0.003 0.000 0.286 45 L C -1.110 175.776 176.870 0.027 0.000 1.024 45 L CA -0.418 54.434 54.840 0.021 0.000 0.826 45 L CB 1.713 43.781 42.059 0.016 0.000 1.211 45 L HN 0.299 nan 8.230 nan 0.000 0.422 46 V N 6.343 126.276 119.914 0.032 0.000 2.481 46 V HA 0.472 4.593 4.120 0.003 0.000 0.286 46 V C 0.079 176.198 176.094 0.043 0.000 1.042 46 V CA -0.542 61.782 62.300 0.040 0.000 0.928 46 V CB 1.639 33.488 31.823 0.043 0.000 0.986 46 V HN 0.614 nan 8.190 nan 0.000 0.462 47 L N 3.927 125.181 121.223 0.051 0.000 2.346 47 L HA 0.615 4.957 4.340 0.003 0.000 0.276 47 L C -0.104 176.802 176.870 0.060 0.000 1.006 47 L CA -0.387 54.485 54.840 0.054 0.000 0.817 47 L CB 1.951 44.047 42.059 0.062 0.000 1.272 47 L HN 0.602 nan 8.230 nan 0.000 0.421 48 E N 1.981 122.215 120.200 0.056 0.000 2.151 48 E HA 0.357 4.708 4.350 0.003 0.000 0.275 48 E C -1.111 175.514 176.600 0.041 0.000 0.936 48 E CA -0.794 55.638 56.400 0.052 0.000 0.777 48 E CB 2.109 31.851 29.700 0.069 0.000 1.108 48 E HN 0.318 nan 8.360 nan 0.000 0.401 49 V N 3.989 123.921 119.914 0.029 0.000 2.521 49 V HA 0.083 4.204 4.120 0.003 0.000 0.286 49 V C 0.896 176.998 176.094 0.013 0.000 1.034 49 V CA 0.691 63.014 62.300 0.038 0.000 1.045 49 V CB 0.768 32.619 31.823 0.046 0.000 0.974 49 V HN 0.871 nan 8.190 nan 0.000 0.480 50 A N 4.220 127.059 122.820 0.031 0.000 1.984 50 A HA 0.327 4.649 4.320 0.003 0.000 0.203 50 A C 0.742 178.332 177.584 0.009 0.000 1.292 50 A CA 0.272 52.313 52.037 0.008 0.000 0.782 50 A CB 0.335 19.344 19.000 0.014 0.000 0.924 50 A HN 0.753 nan 8.150 nan 0.000 0.475 51 Q N -0.986 118.848 119.800 0.056 0.000 2.416 51 Q HA 0.393 4.735 4.340 0.003 0.000 0.281 51 Q C -1.649 174.476 176.000 0.209 0.000 1.067 51 Q CA -0.540 55.305 55.803 0.069 0.000 0.809 51 Q CB 1.996 30.764 28.738 0.049 0.000 1.418 51 Q HN 0.632 nan 8.270 nan 0.000 0.411 52 H N 2.018 121.082 119.070 -0.010 0.000 2.640 52 H HA 0.227 4.784 4.556 0.002 0.000 0.297 52 H C 0.514 175.844 175.328 0.004 0.000 1.073 52 H CA -0.267 55.778 56.048 -0.004 0.000 1.305 52 H CB 1.025 30.778 29.762 -0.014 0.000 1.404 52 H HN 0.440 nan 8.280 nan 0.000 0.459 53 L N 2.875 124.157 121.223 0.099 0.000 2.418 53 L HA 0.144 4.486 4.340 0.003 0.000 0.218 53 L C 1.136 178.033 176.870 0.044 0.000 1.125 53 L CA 0.513 55.388 54.840 0.059 0.000 0.835 53 L CB 0.020 42.104 42.059 0.041 0.000 0.953 53 L HN 0.900 nan 8.230 nan 0.000 0.454 54 G N 0.102 108.927 108.800 0.041 0.000 2.619 54 G HA2 -0.155 3.806 3.960 0.003 0.000 0.686 54 G HA3 -0.155 3.806 3.960 0.003 0.000 0.686 54 G C -0.091 174.816 174.900 0.011 0.000 1.256 54 G CA -0.545 44.570 45.100 0.026 0.000 0.826 54 G HN 0.278 nan 8.290 nan 0.000 0.619 55 E N -0.703 119.501 120.200 0.008 0.000 2.297 55 E HA -0.186 4.165 4.350 0.003 0.000 0.228 55 E C 1.087 177.689 176.600 0.002 0.000 1.213 55 E CA 1.036 57.439 56.400 0.005 0.000 0.712 55 E CB -1.470 28.233 29.700 0.006 0.000 1.202 55 E HN 1.991 nan 8.360 nan 0.000 0.376 56 S N -1.779 113.917 115.700 -0.007 0.000 3.419 56 S HA -0.238 4.234 4.470 0.003 0.000 0.350 56 S C 0.185 174.799 174.600 0.022 0.000 1.128 56 S CA 1.538 59.735 58.200 -0.005 0.000 0.999 56 S CB -0.977 62.236 63.200 0.022 0.000 0.923 56 S HN 0.469 nan 8.310 nan 0.000 0.522 57 T N 1.680 116.236 114.554 0.003 0.000 2.792 57 T HA 0.582 4.933 4.350 0.003 0.000 0.280 57 T C 0.313 175.019 174.700 0.009 0.000 0.990 57 T CA -0.413 61.705 62.100 0.029 0.000 0.960 57 T CB 1.645 70.525 68.868 0.020 0.000 0.939 57 T HN 0.417 nan 8.240 nan 0.000 0.439 58 V N 1.774 121.718 119.914 0.049 0.000 2.612 58 V HA 0.724 4.845 4.120 0.003 0.000 0.301 58 V C -0.025 176.119 176.094 0.084 0.000 1.046 58 V CA -1.339 60.993 62.300 0.052 0.000 0.946 58 V CB 1.443 33.291 31.823 0.042 0.000 1.003 58 V HN 0.840 nan 8.190 nan 0.000 0.459 59 R N 2.278 122.829 120.500 0.085 0.000 2.346 59 R HA 0.686 5.028 4.340 0.003 0.000 0.311 59 R C -0.144 176.195 176.300 0.065 0.000 0.983 59 R CA 0.253 56.391 56.100 0.064 0.000 0.880 59 R CB 1.381 31.710 30.300 0.048 0.000 1.100 59 R HN 1.160 nan 8.270 nan 0.000 0.453 60 T N 2.455 117.043 114.554 0.056 0.000 2.907 60 T HA 0.517 4.868 4.350 0.003 0.000 0.292 60 T C 0.213 174.935 174.700 0.036 0.000 1.043 60 T CA -1.025 61.107 62.100 0.052 0.000 1.003 60 T CB 1.076 69.984 68.868 0.067 0.000 1.084 60 T HN 0.597 nan 8.240 nan 0.000 0.483 61 I N 0.290 120.879 120.570 0.032 0.000 2.437 61 I HA 0.841 5.012 4.170 0.003 0.000 0.298 61 I C 0.109 176.243 176.117 0.029 0.000 0.984 61 I CA -1.352 59.962 61.300 0.024 0.000 1.214 61 I CB 1.246 39.255 38.000 0.015 0.000 1.365 61 I HN 0.878 nan 8.210 nan 0.000 0.469 62 A N 6.470 129.303 122.820 0.023 0.000 2.316 62 A HA 0.580 4.902 4.320 0.003 0.000 0.284 62 A C 0.583 178.181 177.584 0.024 0.000 1.115 62 A CA -0.733 51.318 52.037 0.024 0.000 0.812 62 A CB 0.999 20.010 19.000 0.018 0.000 1.064 62 A HN 0.885 nan 8.150 nan 0.000 0.489 63 M N 0.597 120.213 119.600 0.028 0.000 2.428 63 M HA 0.204 4.686 4.480 0.003 0.000 0.239 63 M C -0.242 176.072 176.300 0.023 0.000 1.121 63 M CA 0.571 55.888 55.300 0.028 0.000 1.019 63 M CB -0.840 31.780 32.600 0.035 0.000 1.485 63 M HN 0.800 nan 8.290 nan 0.000 0.484 64 D N -1.199 119.212 120.400 0.019 0.000 2.677 64 D HA 0.462 5.103 4.640 0.003 0.000 0.298 64 D C -0.543 175.764 176.300 0.012 0.000 1.250 64 D CA -0.205 53.804 54.000 0.016 0.000 0.888 64 D CB 1.324 42.133 40.800 0.016 0.000 1.397 64 D HN 0.103 nan 8.370 nan 0.000 0.461 65 G N -0.781 108.025 108.800 0.010 0.000 2.432 65 G HA2 0.331 4.292 3.960 0.003 0.000 0.239 65 G HA3 0.331 4.292 3.960 0.003 0.000 0.239 65 G C 0.863 175.767 174.900 0.007 0.000 1.291 65 G CA 0.536 45.641 45.100 0.007 0.000 0.863 65 G HN 0.408 nan 8.290 nan 0.000 0.560 66 T N -1.039 113.518 114.554 0.005 0.000 3.086 66 T HA 0.124 4.476 4.350 0.003 0.000 0.250 66 T C 0.838 175.539 174.700 0.002 0.000 1.074 66 T CA 0.054 62.157 62.100 0.004 0.000 0.988 66 T CB 0.021 68.892 68.868 0.004 0.000 0.988 66 T HN 0.667 nan 8.240 nan 0.000 0.530 67 E N 2.037 122.237 120.200 0.002 0.000 2.437 67 E HA 0.238 4.590 4.350 0.003 0.000 0.263 67 E C 1.234 177.834 176.600 -0.001 0.000 1.030 67 E CA 0.832 57.232 56.400 0.000 0.000 0.934 67 E CB 0.012 29.712 29.700 0.001 0.000 0.943 67 E HN 0.447 nan 8.360 nan 0.000 0.444 68 G N 2.621 111.420 108.800 -0.002 0.000 2.253 68 G HA2 -0.275 3.687 3.960 0.003 0.000 0.251 68 G HA3 -0.275 3.687 3.960 0.003 0.000 0.251 68 G C 0.422 175.319 174.900 -0.005 0.000 0.998 68 G CA 0.246 45.344 45.100 -0.003 0.000 0.621 68 G HN 0.492 nan 8.290 nan 0.000 0.524 69 L N 1.034 122.254 121.223 -0.005 0.000 2.456 69 L HA 0.478 4.820 4.340 0.003 0.000 0.272 69 L C 0.535 177.398 176.870 -0.011 0.000 1.189 69 L CA -0.248 54.587 54.840 -0.008 0.000 0.846 69 L CB 1.213 43.268 42.059 -0.007 0.000 1.111 69 L HN 0.017 nan 8.230 nan 0.000 0.475 70 V N 3.435 123.340 119.914 -0.015 0.000 2.604 70 V HA 0.355 4.477 4.120 0.003 0.000 0.305 70 V C 0.123 176.204 176.094 -0.023 0.000 1.043 70 V CA -0.941 61.349 62.300 -0.017 0.000 0.888 70 V CB 1.868 33.681 31.823 -0.017 0.000 0.995 70 V HN 0.680 nan 8.190 nan 0.000 0.429 71 R N 2.510 122.997 120.500 -0.022 0.000 2.502 71 R HA 0.365 4.706 4.340 0.003 0.000 0.292 71 R C 1.314 177.594 176.300 -0.034 0.000 0.998 71 R CA 1.141 57.225 56.100 -0.027 0.000 1.056 71 R CB -0.009 30.277 30.300 -0.023 0.000 0.939 71 R HN 1.215 nan 8.270 nan 0.000 0.411 72 G N 1.810 110.582 108.800 -0.046 0.000 2.213 72 G HA2 -0.317 3.645 3.960 0.003 0.000 0.226 72 G HA3 -0.317 3.645 3.960 0.003 0.000 0.226 72 G C 0.202 175.066 174.900 -0.059 0.000 0.992 72 G CA -0.027 45.041 45.100 -0.054 0.000 0.632 72 G HN 0.600 nan 8.290 nan 0.000 0.511 73 Q N 1.194 120.963 119.800 -0.052 0.000 2.349 73 Q HA 0.401 4.743 4.340 0.003 0.000 0.287 73 Q C 0.419 176.376 176.000 -0.070 0.000 1.044 73 Q CA 0.372 56.145 55.803 -0.049 0.000 0.918 73 Q CB 0.303 29.019 28.738 -0.036 0.000 1.242 73 Q HN 0.453 nan 8.270 nan 0.000 0.405 74 K N 1.708 122.070 120.400 -0.064 0.000 2.270 74 K HA 0.372 4.693 4.320 0.003 0.000 0.276 74 K C -1.166 175.389 176.600 -0.074 0.000 1.023 74 K CA -0.448 55.789 56.287 -0.083 0.000 0.955 74 K CB 1.254 33.717 32.500 -0.061 0.000 0.975 74 K HN 0.323 nan 8.250 nan 0.000 0.471 75 V N 4.338 124.186 119.914 -0.110 0.000 2.686 75 V HA 0.327 4.449 4.120 0.003 0.000 0.306 75 V C -0.708 175.396 176.094 0.016 0.000 1.065 75 V CA -0.891 61.379 62.300 -0.050 0.000 0.894 75 V CB 1.622 33.406 31.823 -0.064 0.000 1.004 75 V HN 0.590 nan 8.190 nan 0.000 0.424 76 L N 3.155 124.429 121.223 0.085 0.000 2.307 76 L HA 0.541 4.883 4.340 0.003 0.000 0.284 76 L C -0.222 176.751 176.870 0.173 0.000 1.023 76 L CA -0.594 54.326 54.840 0.133 0.000 0.810 76 L CB 1.712 43.812 42.059 0.068 0.000 1.231 76 L HN 0.587 nan 8.230 nan 0.000 0.423 77 D N 1.051 121.574 120.400 0.204 0.000 2.383 77 D HA 0.005 4.646 4.640 0.003 0.000 0.252 77 D C 1.098 177.422 176.300 0.040 0.000 1.166 77 D CA 0.053 54.102 54.000 0.082 0.000 0.879 77 D CB 1.463 42.246 40.800 -0.028 0.000 1.164 77 D HN 0.551 nan 8.370 nan 0.000 0.462 78 S N 2.736 118.450 115.700 0.023 0.000 2.461 78 S HA 0.118 4.590 4.470 0.003 0.000 0.228 78 S C 1.674 176.269 174.600 -0.009 0.000 1.005 78 S CA 0.742 58.947 58.200 0.007 0.000 0.942 78 S CB -0.082 63.122 63.200 0.008 0.000 0.776 78 S HN 0.929 nan 8.310 nan 0.000 0.514 79 G N 0.203 108.993 108.800 -0.016 0.000 2.176 79 G HA2 0.124 4.086 3.960 0.003 0.000 0.232 79 G HA3 0.124 4.086 3.960 0.003 0.000 0.232 79 G C 0.131 175.018 174.900 -0.021 0.000 0.986 79 G CA -0.199 44.886 45.100 -0.024 0.000 0.643 79 G HN 1.558 nan 8.290 nan 0.000 0.522 80 A N -0.714 122.099 122.820 -0.012 0.000 2.602 80 A HA 0.924 5.246 4.320 0.003 0.000 0.290 80 A C -2.887 174.705 177.584 0.015 0.000 1.114 80 A CA -0.701 51.335 52.037 -0.001 0.000 0.683 80 A CB 1.073 20.074 19.000 0.002 0.000 1.281 80 A HN 0.079 nan 8.150 nan 0.000 0.416 81 P HA 0.260 nan 4.420 nan 0.000 0.280 81 P C -0.406 176.945 177.300 0.084 0.000 1.278 81 P CA -0.248 62.895 63.100 0.070 0.000 0.787 81 P CB 0.214 31.987 31.700 0.121 0.000 1.163 82 I N 0.656 121.297 120.570 0.119 0.000 2.581 82 I HA 0.005 4.177 4.170 0.003 0.000 0.285 82 I C 1.011 177.180 176.117 0.087 0.000 1.129 82 I CA 0.633 61.988 61.300 0.093 0.000 1.397 82 I CB -0.253 37.800 38.000 0.088 0.000 1.399 82 I HN 0.105 nan 8.210 nan 0.000 0.537 83 R N 7.352 127.911 120.500 0.098 0.000 2.338 83 R HA 0.641 4.983 4.340 0.003 0.000 0.317 83 R C -0.565 175.866 176.300 0.219 0.000 0.968 83 R CA -0.687 55.500 56.100 0.144 0.000 0.849 83 R CB 1.683 32.071 30.300 0.146 0.000 1.128 83 R HN 0.584 nan 8.270 nan 0.000 0.448 84 I N -0.637 120.011 120.570 0.130 0.000 2.797 84 I HA 0.618 4.789 4.170 0.003 0.000 0.307 84 I C -2.553 173.390 176.117 -0.291 0.000 1.033 84 I CA -3.449 57.853 61.300 0.003 0.000 1.071 84 I CB 1.926 39.887 38.000 -0.064 0.000 1.255 84 I HN 0.290 nan 8.210 nan 0.000 0.445 85 P HA 0.136 nan 4.420 nan 0.000 0.267 85 P C -0.780 176.172 177.300 -0.581 0.000 1.205 85 P CA -0.079 62.453 63.100 -0.946 0.000 0.765 85 P CB 0.732 32.010 31.700 -0.703 0.000 0.828 86 V N 0.773 120.305 119.914 -0.637 0.000 2.876 86 V HA 1.030 5.152 4.120 0.003 0.000 0.312 86 V C 0.073 175.537 176.094 -1.049 0.000 1.085 86 V CA -0.325 61.523 62.300 -0.753 0.000 0.945 86 V CB 1.503 32.909 31.823 -0.696 0.000 1.017 86 V HN 0.908 nan 8.190 nan 0.000 0.428 87 G N 3.228 111.322 108.800 -1.176 0.000 2.361 87 G HA2 0.230 4.192 3.960 0.003 0.000 0.331 87 G HA3 0.230 4.192 3.960 0.003 0.000 0.331 87 G C -2.570 172.217 174.900 -0.189 0.000 1.324 87 G CA 0.014 44.602 45.100 -0.854 0.000 0.984 87 G HN 0.605 nan 8.290 nan 0.000 0.586 88 P HA -0.134 nan 4.420 nan 0.000 0.217 88 P C 1.300 178.602 177.300 0.004 0.000 1.148 88 P CA 1.902 65.062 63.100 0.101 0.000 0.834 88 P CB 0.017 31.775 31.700 0.096 0.000 0.783 89 E N -0.464 119.707 120.200 -0.048 0.000 2.409 89 E HA -0.088 4.263 4.350 0.003 0.000 0.198 89 E C 1.674 178.236 176.600 -0.064 0.000 1.024 89 E CA 1.466 57.831 56.400 -0.059 0.000 0.861 89 E CB -1.332 28.320 29.700 -0.080 0.000 0.788 89 E HN 0.451 nan 8.360 nan 0.000 0.521 90 T N -1.158 113.353 114.554 -0.072 0.000 3.067 90 T HA 0.089 4.440 4.350 0.003 0.000 0.261 90 T C 1.148 175.861 174.700 0.022 0.000 1.110 90 T CA -0.120 61.951 62.100 -0.049 0.000 1.113 90 T CB -0.235 68.576 68.868 -0.094 0.000 0.917 90 T HN -0.027 nan 8.240 nan 0.000 0.499 91 L N 1.783 123.021 121.223 0.026 0.000 2.410 91 L HA 0.479 4.821 4.340 0.003 0.000 0.273 91 L C 1.714 178.591 176.870 0.012 0.000 1.152 91 L CA 0.772 55.611 54.840 -0.003 0.000 0.855 91 L CB 0.311 42.294 42.059 -0.126 0.000 1.129 91 L HN 0.516 nan 8.230 nan 0.000 0.463 92 G N 1.741 110.567 108.800 0.042 0.000 2.225 92 G HA2 -0.216 3.746 3.960 0.003 0.000 0.254 92 G HA3 -0.216 3.746 3.960 0.003 0.000 0.254 92 G C 0.404 175.364 174.900 0.100 0.000 0.988 92 G CA -0.364 44.774 45.100 0.064 0.000 0.625 92 G HN 0.454 nan 8.290 nan 0.000 0.527 93 R N 0.078 120.621 120.500 0.071 0.000 2.573 93 R HA 0.744 5.086 4.340 0.003 0.000 0.272 93 R C 0.336 176.668 176.300 0.054 0.000 1.009 93 R CA -0.924 55.207 56.100 0.051 0.000 1.059 93 R CB 0.651 30.958 30.300 0.011 0.000 1.112 93 R HN 0.350 nan 8.270 nan 0.000 0.517 94 I N 2.778 123.352 120.570 0.005 0.000 2.362 94 I HA 0.377 4.549 4.170 0.003 0.000 0.289 94 I C 0.316 176.439 176.117 0.011 0.000 0.994 94 I CA -0.339 60.968 61.300 0.012 0.000 1.158 94 I CB 1.242 39.179 38.000 -0.104 0.000 1.315 94 I HN 0.216 nan 8.210 nan 0.000 0.451 95 M N 5.035 124.657 119.600 0.037 0.000 2.762 95 M HA 0.458 4.939 4.480 0.003 0.000 0.306 95 M C -0.331 175.995 176.300 0.043 0.000 1.223 95 M CA -0.827 54.482 55.300 0.016 0.000 0.896 95 M CB 1.764 34.356 32.600 -0.014 0.000 1.684 95 M HN 0.591 nan 8.290 nan 0.000 0.491 96 N N -0.289 118.427 118.700 0.028 0.000 2.776 96 N HA 0.358 5.099 4.740 0.003 0.000 0.319 96 N C 0.533 176.054 175.510 0.018 0.000 1.316 96 N CA -0.840 52.233 53.050 0.037 0.000 0.890 96 N CB -0.312 38.195 38.487 0.033 0.000 1.165 96 N HN 0.422 nan 8.380 nan 0.000 0.596 97 V N -0.896 119.030 119.914 0.020 0.000 2.380 97 V HA -0.211 3.911 4.120 0.003 0.000 0.251 97 V C 1.725 177.825 176.094 0.009 0.000 1.063 97 V CA 2.142 64.448 62.300 0.010 0.000 1.055 97 V CB -1.344 30.491 31.823 0.020 0.000 0.657 97 V HN 0.762 nan 8.190 nan 0.000 0.455 98 I N -1.810 118.772 120.570 0.020 0.000 3.914 98 I HA 0.693 4.865 4.170 0.003 0.000 0.333 98 I C 1.317 177.455 176.117 0.035 0.000 1.449 98 I CA 0.443 61.762 61.300 0.032 0.000 1.135 98 I CB -0.060 37.965 38.000 0.040 0.000 1.073 98 I HN 0.312 nan 8.210 nan 0.000 0.401 99 G N 1.202 110.009 108.800 0.012 0.000 2.148 99 G HA2 -0.268 3.693 3.960 0.003 0.000 0.254 99 G HA3 -0.268 3.693 3.960 0.003 0.000 0.254 99 G C -0.079 174.822 174.900 0.002 0.000 0.981 99 G CA 0.058 45.153 45.100 -0.009 0.000 0.670 99 G HN 0.649 nan 8.290 nan 0.000 0.528 100 E N 1.794 122.004 120.200 0.017 0.000 2.313 100 E HA 0.329 4.680 4.350 0.003 0.000 0.276 100 E C -2.043 174.558 176.600 0.002 0.000 1.031 100 E CA -1.687 54.724 56.400 0.017 0.000 0.857 100 E CB 1.158 30.871 29.700 0.022 0.000 1.040 100 E HN 0.209 nan 8.360 nan 0.000 0.408 101 P HA -0.009 nan 4.420 nan 0.000 0.268 101 P C 0.041 177.331 177.300 -0.017 0.000 1.204 101 P CA 0.520 63.612 63.100 -0.013 0.000 0.768 101 P CB 0.300 31.993 31.700 -0.011 0.000 0.842 102 I N -0.491 120.059 120.570 -0.033 0.000 3.658 102 I HA 0.267 4.439 4.170 0.003 0.000 0.328 102 I C -0.037 176.021 176.117 -0.097 0.000 1.567 102 I CA -0.352 60.918 61.300 -0.050 0.000 1.078 102 I CB 0.033 38.010 38.000 -0.040 0.000 1.267 102 I HN 0.028 nan 8.210 nan 0.000 0.495 103 D N 0.048 120.394 120.400 -0.090 0.000 2.440 103 D HA 0.050 4.692 4.640 0.003 0.000 0.216 103 D C 0.483 176.761 176.300 -0.036 0.000 1.150 103 D CA -0.285 53.646 54.000 -0.115 0.000 0.832 103 D CB -0.034 40.695 40.800 -0.119 0.000 0.992 103 D HN 0.408 nan 8.370 nan 0.000 0.502 104 E N -0.127 120.059 120.200 -0.024 0.000 2.494 104 E HA -0.275 4.077 4.350 0.003 0.000 0.249 104 E C 0.297 176.904 176.600 0.011 0.000 1.184 104 E CA 0.359 56.758 56.400 -0.002 0.000 0.727 104 E CB -0.883 28.818 29.700 0.003 0.000 1.281 104 E HN 0.398 nan 8.360 nan 0.000 0.405 105 R N -0.320 120.186 120.500 0.011 0.000 2.507 105 R HA 0.277 4.618 4.340 0.003 0.000 0.298 105 R C 0.862 177.170 176.300 0.013 0.000 0.999 105 R CA 0.277 56.389 56.100 0.019 0.000 1.082 105 R CB 1.079 31.397 30.300 0.029 0.000 1.246 105 R HN 0.303 nan 8.270 nan 0.000 0.553 106 G N 1.914 110.719 108.800 0.009 0.000 2.725 106 G HA2 -0.222 3.740 3.960 0.003 0.000 0.220 106 G HA3 -0.222 3.740 3.960 0.003 0.000 0.220 106 G C -2.501 172.404 174.900 0.008 0.000 1.357 106 G CA -1.263 43.843 45.100 0.009 0.000 0.866 106 G HN 0.029 nan 8.290 nan 0.000 0.548 107 P HA 0.335 nan 4.420 nan 0.000 0.266 107 P C 0.152 177.452 177.300 0.001 0.000 1.193 107 P CA 0.073 63.182 63.100 0.015 0.000 0.770 107 P CB 0.269 31.984 31.700 0.024 0.000 0.836 108 I N 2.868 123.431 120.570 -0.012 0.000 2.310 108 I HA 0.148 4.320 4.170 0.003 0.000 0.287 108 I C 0.746 176.828 176.117 -0.059 0.000 1.073 108 I CA -0.332 60.937 61.300 -0.052 0.000 1.216 108 I CB 0.188 38.130 38.000 -0.096 0.000 1.415 108 I HN 0.103 nan 8.210 nan 0.000 0.480 109 K N 5.395 125.773 120.400 -0.036 0.000 2.480 109 K HA 0.143 4.464 4.320 0.003 0.000 0.241 109 K C 0.394 176.970 176.600 -0.040 0.000 1.261 109 K CA -0.207 56.072 56.287 -0.012 0.000 1.193 109 K CB -0.323 32.180 32.500 0.004 0.000 1.598 109 K HN 0.596 nan 8.250 nan 0.000 0.278 110 T N -2.065 112.430 114.554 -0.098 0.000 2.913 110 T HA 0.218 4.570 4.350 0.003 0.000 0.287 110 T C 1.073 175.753 174.700 -0.033 0.000 1.008 110 T CA -0.823 61.188 62.100 -0.149 0.000 1.067 110 T CB 1.652 70.300 68.868 -0.367 0.000 0.996 110 T HN 0.055 nan 8.240 nan 0.000 0.513 111 K N 0.498 120.882 120.400 -0.026 0.000 2.062 111 K HA 0.032 4.353 4.320 0.003 0.000 0.205 111 K C 1.324 177.983 176.600 0.099 0.000 1.051 111 K CA 1.116 57.429 56.287 0.044 0.000 0.941 111 K CB 0.027 32.548 32.500 0.036 0.000 0.719 111 K HN 0.807 nan 8.250 nan 0.000 0.440 112 Q N -0.438 119.379 119.800 0.027 0.000 2.351 112 Q HA 0.358 4.699 4.340 0.003 0.000 0.273 112 Q C -0.943 175.078 176.000 0.035 0.000 1.077 112 Q CA -0.624 55.240 55.803 0.103 0.000 0.843 112 Q CB 1.329 30.102 28.738 0.058 0.000 1.367 112 Q HN -0.093 nan 8.270 nan 0.000 0.449 113 F N -0.135 119.768 119.950 -0.079 0.000 2.556 113 F HA 0.803 5.332 4.527 0.002 0.000 0.327 113 F C -0.290 175.473 175.800 -0.061 0.000 1.059 113 F CA -0.752 57.199 58.000 -0.083 0.000 0.953 113 F CB 2.391 41.359 39.000 -0.054 0.000 1.227 113 F HN 0.809 nan 8.300 nan 0.000 0.478 114 A N 1.004 123.875 122.820 0.085 0.000 2.422 114 A HA 0.818 5.140 4.320 0.003 0.000 0.302 114 A C -1.004 176.612 177.584 0.054 0.000 1.041 114 A CA -0.717 51.352 52.037 0.052 0.000 0.708 114 A CB 0.953 19.954 19.000 0.002 0.000 1.257 114 A HN 1.027 nan 8.150 nan 0.000 0.414 115 A N 1.407 124.262 122.820 0.058 0.000 2.511 115 A HA 0.434 4.755 4.320 0.003 0.000 0.242 115 A C 1.068 178.665 177.584 0.022 0.000 1.069 115 A CA 0.305 52.378 52.037 0.060 0.000 0.763 115 A CB -0.433 18.611 19.000 0.074 0.000 1.001 115 A HN 1.671 nan 8.150 nan 0.000 0.498 116 I N -0.727 119.840 120.570 -0.004 0.000 3.251 116 I HA 0.076 4.248 4.170 0.003 0.000 0.277 116 I C 0.275 176.246 176.117 -0.243 0.000 1.268 116 I CA 0.305 61.532 61.300 -0.121 0.000 1.449 116 I CB -0.311 37.594 38.000 -0.157 0.000 1.083 116 I HN 0.506 nan 8.210 nan 0.000 0.464 117 H N 2.438 121.508 119.070 0.001 0.000 2.467 117 H HA 0.810 5.368 4.556 0.003 0.000 0.326 117 H C -0.476 174.850 175.328 -0.004 0.000 1.094 117 H CA -0.175 55.872 56.048 -0.002 0.000 1.253 117 H CB 1.777 31.542 29.762 0.004 0.000 1.439 117 H HN 0.401 nan 8.280 nan 0.000 0.479 118 A N 2.906 125.780 122.820 0.091 0.000 2.608 118 A HA 0.303 4.624 4.320 0.003 0.000 0.292 118 A C -0.756 176.849 177.584 0.036 0.000 1.066 118 A CA -0.958 51.108 52.037 0.048 0.000 0.676 118 A CB 1.527 20.537 19.000 0.017 0.000 1.277 118 A HN 0.557 nan 8.150 nan 0.000 0.413 119 E N 0.811 121.027 120.200 0.027 0.000 2.383 119 E HA 0.452 4.803 4.350 0.003 0.000 0.264 119 E C 0.488 177.096 176.600 0.012 0.000 1.050 119 E CA 0.198 56.611 56.400 0.022 0.000 0.896 119 E CB 1.239 30.950 29.700 0.020 0.000 0.982 119 E HN 0.859 nan 8.360 nan 0.000 0.424 120 A N 4.339 127.167 122.820 0.014 0.000 2.440 120 A HA 0.320 4.641 4.320 0.003 0.000 0.251 120 A C -2.013 175.581 177.584 0.016 0.000 1.089 120 A CA -1.126 50.917 52.037 0.010 0.000 0.779 120 A CB -0.453 18.557 19.000 0.017 0.000 1.022 120 A HN 0.310 nan 8.150 nan 0.000 0.492 121 P HA 0.037 nan 4.420 nan 0.000 0.264 121 P C 0.035 177.353 177.300 0.030 0.000 1.183 121 P CA 0.291 63.397 63.100 0.009 0.000 0.763 121 P CB 0.417 32.114 31.700 -0.006 0.000 0.807 122 E N 1.694 121.915 120.200 0.035 0.000 2.410 122 E HA -0.031 4.321 4.350 0.003 0.000 0.255 122 E C 0.881 177.538 176.600 0.096 0.000 1.194 122 E CA -0.171 56.273 56.400 0.073 0.000 0.955 122 E CB 0.124 29.863 29.700 0.065 0.000 0.988 122 E HN 0.400 nan 8.360 nan 0.000 0.461 123 F N 1.913 121.863 119.950 -0.000 0.000 2.126 123 F HA -0.239 4.289 4.527 0.003 0.000 0.299 123 F C 1.931 177.730 175.800 -0.002 0.000 1.096 123 F CA 1.874 59.874 58.000 -0.001 0.000 1.255 123 F CB -0.315 38.685 39.000 -0.000 0.000 0.997 123 F HN 0.268 nan 8.300 nan 0.000 0.479 124 V N -1.926 117.958 119.914 -0.050 0.000 2.867 124 V HA -0.177 3.944 4.120 0.003 0.000 0.260 124 V C 1.492 177.494 176.094 -0.154 0.000 1.099 124 V CA 1.925 64.141 62.300 -0.139 0.000 1.122 124 V CB -1.135 30.682 31.823 -0.010 0.000 0.708 124 V HN 0.444 nan 8.190 nan 0.000 0.490 125 E N 0.017 120.147 120.200 -0.117 0.000 2.489 125 E HA 0.185 4.536 4.350 0.003 0.000 0.193 125 E C 0.591 177.119 176.600 -0.120 0.000 1.057 125 E CA -0.226 56.118 56.400 -0.092 0.000 0.866 125 E CB 0.024 29.695 29.700 -0.048 0.000 0.916 125 E HN 0.466 nan 8.360 nan 0.000 0.500 126 M N 0.999 120.479 119.600 -0.200 0.000 2.238 126 M HA 0.109 4.591 4.480 0.003 0.000 0.347 126 M C 0.423 176.626 176.300 -0.161 0.000 1.173 126 M CA 0.112 55.300 55.300 -0.187 0.000 1.147 126 M CB 1.066 33.502 32.600 -0.273 0.000 1.547 126 M HN -0.127 nan 8.290 nan 0.000 0.455 127 S N 1.532 117.170 115.700 -0.104 0.000 2.608 127 S HA 0.588 5.060 4.470 0.003 0.000 0.291 127 S C 0.462 175.022 174.600 -0.066 0.000 1.146 127 S CA -0.751 57.401 58.200 -0.079 0.000 1.043 127 S CB 1.171 64.339 63.200 -0.054 0.000 1.037 127 S HN 0.609 nan 8.310 nan 0.000 0.520 128 V N 0.294 120.176 119.914 -0.053 0.000 3.477 128 V HA 0.490 4.612 4.120 0.003 0.000 0.297 128 V C 0.115 176.197 176.094 -0.020 0.000 1.433 128 V CA -0.340 61.940 62.300 -0.034 0.000 1.052 128 V CB -0.293 31.511 31.823 -0.031 0.000 0.895 128 V HN 0.720 nan 8.190 nan 0.000 0.438 129 E N 3.559 123.746 120.200 -0.021 0.000 2.376 129 E HA 0.277 4.629 4.350 0.003 0.000 0.266 129 E C -0.305 176.293 176.600 -0.004 0.000 1.009 129 E CA 0.479 56.873 56.400 -0.012 0.000 0.902 129 E CB 0.796 30.488 29.700 -0.012 0.000 0.972 129 E HN 0.878 nan 8.360 nan 0.000 0.439 130 Q N 1.470 121.272 119.800 0.004 0.000 2.350 130 Q HA 0.366 4.707 4.340 0.003 0.000 0.255 130 Q C -0.732 175.280 176.000 0.020 0.000 0.951 130 Q CA -0.675 55.136 55.803 0.013 0.000 0.751 130 Q CB 1.437 30.184 28.738 0.015 0.000 1.296 130 Q HN 0.449 nan 8.270 nan 0.000 0.453 131 E N 2.929 123.146 120.200 0.027 0.000 2.227 131 E HA 0.507 4.859 4.350 0.003 0.000 0.268 131 E C -0.727 175.904 176.600 0.052 0.000 0.907 131 E CA -1.075 55.347 56.400 0.036 0.000 0.786 131 E CB 2.293 32.012 29.700 0.031 0.000 1.191 131 E HN 0.644 nan 8.360 nan 0.000 0.411 132 I N 2.455 123.061 120.570 0.061 0.000 2.775 132 I HA -0.067 4.105 4.170 0.003 0.000 0.290 132 I C -0.726 175.442 176.117 0.084 0.000 1.203 132 I CA -0.175 61.173 61.300 0.081 0.000 1.433 132 I CB 0.402 38.458 38.000 0.094 0.000 1.354 132 I HN 0.523 nan 8.210 nan 0.000 0.579 133 L N 8.946 130.232 121.223 0.106 0.000 2.295 133 L HA 0.401 4.743 4.340 0.003 0.000 0.281 133 L C -0.691 176.232 176.870 0.089 0.000 1.018 133 L CA -0.318 54.587 54.840 0.109 0.000 0.841 133 L CB 1.172 43.318 42.059 0.145 0.000 1.218 133 L HN 0.328 nan 8.230 nan 0.000 0.424 134 V N 4.087 124.039 119.914 0.063 0.000 2.686 134 V HA 0.233 4.355 4.120 0.003 0.000 0.295 134 V C 1.374 177.481 176.094 0.021 0.000 1.055 134 V CA 0.628 62.947 62.300 0.031 0.000 1.050 134 V CB 1.132 32.974 31.823 0.031 0.000 0.984 134 V HN 0.937 nan 8.190 nan 0.000 0.482 135 T N -0.656 113.885 114.554 -0.023 0.000 2.978 135 T HA 0.302 4.653 4.350 0.003 0.000 0.248 135 T C 1.362 176.042 174.700 -0.033 0.000 1.018 135 T CA 0.834 62.919 62.100 -0.026 0.000 1.026 135 T CB 0.566 69.380 68.868 -0.089 0.000 1.032 135 T HN 1.583 nan 8.240 nan 0.000 0.485 136 G N 1.524 110.308 108.800 -0.027 0.000 2.157 136 G HA2 -0.180 3.782 3.960 0.003 0.000 0.248 136 G HA3 -0.180 3.782 3.960 0.003 0.000 0.248 136 G C -0.056 174.838 174.900 -0.010 0.000 0.979 136 G CA 0.080 45.169 45.100 -0.018 0.000 0.650 136 G HN 0.651 nan 8.290 nan 0.000 0.529 137 I N 1.000 121.562 120.570 -0.013 0.000 2.312 137 I HA 0.284 4.455 4.170 0.003 0.000 0.290 137 I C 1.573 177.707 176.117 0.029 0.000 1.008 137 I CA -0.748 60.583 61.300 0.051 0.000 1.226 137 I CB 1.318 39.368 38.000 0.083 0.000 1.371 137 I HN 0.008 nan 8.210 nan 0.000 0.468 138 K N 3.715 124.138 120.400 0.039 0.000 1.987 138 K HA -0.205 4.117 4.320 0.003 0.000 0.216 138 K C 1.837 178.446 176.600 0.014 0.000 1.051 138 K CA 1.643 57.953 56.287 0.038 0.000 0.942 138 K CB -0.204 32.308 32.500 0.020 0.000 0.722 138 K HN 0.559 nan 8.250 nan 0.000 0.444 139 V N 1.099 121.019 119.914 0.009 0.000 2.332 139 V HA -0.224 3.898 4.120 0.003 0.000 0.248 139 V C 2.075 178.143 176.094 -0.042 0.000 1.055 139 V CA 1.662 63.938 62.300 -0.040 0.000 1.038 139 V CB -0.065 31.758 31.823 -0.001 0.000 0.651 139 V HN 0.170 nan 8.190 nan 0.000 0.450 140 V N 0.425 120.318 119.914 -0.036 0.000 2.237 140 V HA -0.217 3.905 4.120 0.003 0.000 0.245 140 V C 2.410 178.433 176.094 -0.118 0.000 1.046 140 V CA 2.514 64.744 62.300 -0.117 0.000 1.007 140 V CB -0.867 30.791 31.823 -0.274 0.000 0.638 140 V HN 0.574 nan 8.190 nan 0.000 0.445 141 D N -0.248 120.096 120.400 -0.093 0.000 2.133 141 D HA -0.170 4.471 4.640 0.003 0.000 0.195 141 D C 1.896 178.260 176.300 0.107 0.000 0.997 141 D CA 1.377 55.366 54.000 -0.019 0.000 0.840 141 D CB -0.279 40.506 40.800 -0.026 0.000 0.947 141 D HN 0.341 nan 8.370 nan 0.000 0.452 142 L N -0.044 121.208 121.223 0.049 0.000 2.007 142 L HA -0.032 4.309 4.340 0.003 0.000 0.205 142 L C 2.086 179.051 176.870 0.158 0.000 1.073 142 L CA 1.491 56.390 54.840 0.098 0.000 0.744 142 L CB -0.323 41.646 42.059 -0.150 0.000 0.898 142 L HN -0.012 nan 8.230 nan 0.000 0.435 143 L N -1.027 120.194 121.223 -0.002 0.000 2.298 143 L HA 0.287 4.629 4.340 0.003 0.000 0.209 143 L C 0.741 177.606 176.870 -0.008 0.000 1.084 143 L CA 0.522 55.339 54.840 -0.039 0.000 0.816 143 L CB -0.161 41.849 42.059 -0.081 0.000 0.967 143 L HN 0.313 nan 8.230 nan 0.000 0.460 144 A N 0.397 123.227 122.820 0.017 0.000 3.422 144 A HA 0.417 4.739 4.320 0.003 0.000 0.271 144 A C -2.677 174.949 177.584 0.070 0.000 1.104 144 A CA -0.746 51.326 52.037 0.059 0.000 0.899 144 A CB -0.141 18.919 19.000 0.100 0.000 1.309 144 A HN -0.153 nan 8.150 nan 0.000 0.580 145 P HA 0.186 nan 4.420 nan 0.000 0.275 145 P C -0.554 176.856 177.300 0.184 0.000 1.228 145 P CA 0.230 63.340 63.100 0.017 0.000 0.786 145 P CB 0.468 32.207 31.700 0.065 0.000 0.927 146 Y N 0.216 120.553 120.300 0.062 0.000 2.326 146 Y HA 0.396 4.947 4.550 0.003 0.000 0.333 146 Y C 1.215 177.137 175.900 0.036 0.000 1.240 146 Y CA -1.222 56.905 58.100 0.045 0.000 1.365 146 Y CB 0.790 39.275 38.460 0.040 0.000 1.289 146 Y HN 0.390 nan 8.280 nan 0.000 0.548 147 A N 3.050 125.985 122.820 0.191 0.000 2.325 147 A HA 0.434 4.756 4.320 0.003 0.000 0.333 147 A C -0.782 176.844 177.584 0.069 0.000 1.155 147 A CA -1.107 50.992 52.037 0.103 0.000 0.814 147 A CB 0.747 19.786 19.000 0.065 0.000 1.206 147 A HN 0.762 nan 8.150 nan 0.000 0.482 148 K N 0.560 120.992 120.400 0.054 0.000 2.412 148 K HA 0.374 4.696 4.320 0.003 0.000 0.281 148 K C 1.133 177.736 176.600 0.005 0.000 1.027 148 K CA 1.081 57.387 56.287 0.031 0.000 0.989 148 K CB 0.425 32.949 32.500 0.040 0.000 0.935 148 K HN 1.446 nan 8.250 nan 0.000 0.475 149 G N 2.090 110.878 108.800 -0.021 0.000 2.189 149 G HA2 -0.272 3.689 3.960 0.003 0.000 0.267 149 G HA3 -0.272 3.689 3.960 0.003 0.000 0.267 149 G C 0.519 175.391 174.900 -0.045 0.000 0.975 149 G CA 0.121 45.199 45.100 -0.036 0.000 0.644 149 G HN 0.855 nan 8.290 nan 0.000 0.537 150 G N -0.581 108.193 108.800 -0.042 0.000 2.562 150 G HA2 0.541 4.502 3.960 0.003 0.000 0.275 150 G HA3 0.541 4.502 3.960 0.003 0.000 0.275 150 G C -0.111 174.736 174.900 -0.089 0.000 1.196 150 G CA -0.532 44.542 45.100 -0.043 0.000 0.908 150 G HN 0.371 nan 8.290 nan 0.000 0.524 151 K N 0.214 120.569 120.400 -0.075 0.000 2.263 151 K HA 0.399 4.721 4.320 0.003 0.000 0.272 151 K C -0.818 175.705 176.600 -0.130 0.000 1.033 151 K CA -0.176 56.049 56.287 -0.103 0.000 0.884 151 K CB 1.679 34.149 32.500 -0.051 0.000 1.107 151 K HN 0.250 nan 8.250 nan 0.000 0.460 152 I N 1.386 121.818 120.570 -0.231 0.000 2.441 152 I HA 0.337 4.508 4.170 0.003 0.000 0.295 152 I C 0.367 176.332 176.117 -0.253 0.000 0.994 152 I CA -0.515 60.585 61.300 -0.333 0.000 1.144 152 I CB 2.111 39.688 38.000 -0.705 0.000 1.314 152 I HN 0.595 nan 8.210 nan 0.000 0.445 153 G N 6.593 115.296 108.800 -0.162 0.000 2.530 153 G HA2 0.690 4.652 3.960 0.003 0.000 0.316 153 G HA3 0.690 4.652 3.960 0.003 0.000 0.316 153 G C -0.956 173.862 174.900 -0.138 0.000 1.298 153 G CA -0.551 44.411 45.100 -0.231 0.000 0.948 153 G HN 0.471 nan 8.290 nan 0.000 0.486 154 L N 2.183 123.286 121.223 -0.200 0.000 2.283 154 L HA 0.448 4.789 4.340 0.003 0.000 0.281 154 L C -0.786 176.012 176.870 -0.119 0.000 1.033 154 L CA -0.638 54.186 54.840 -0.026 0.000 0.848 154 L CB 0.496 42.589 42.059 0.056 0.000 1.226 154 L HN 0.296 nan 8.230 nan 0.000 0.429 155 F N 1.418 121.362 119.950 -0.011 0.000 2.396 155 F HA 0.741 5.269 4.527 0.002 0.000 0.343 155 F C 1.034 176.836 175.800 0.004 0.000 1.104 155 F CA -0.217 57.755 58.000 -0.047 0.000 1.161 155 F CB 1.864 40.811 39.000 -0.088 0.000 1.146 155 F HN 0.474 nan 8.300 nan 0.000 0.522 156 G N 1.056 109.942 108.800 0.144 0.000 2.633 156 G HA2 0.469 4.431 3.960 0.003 0.000 0.299 156 G HA3 0.469 4.431 3.960 0.003 0.000 0.299 156 G C -0.546 174.360 174.900 0.009 0.000 1.501 156 G CA -0.393 44.764 45.100 0.094 0.000 0.887 156 G HN 0.930 nan 8.290 nan 0.000 0.561 157 G N -0.226 108.557 108.800 -0.029 0.000 2.590 157 G HA2 0.611 4.573 3.960 0.003 0.000 0.276 157 G HA3 0.611 4.573 3.960 0.003 0.000 0.276 157 G C 0.807 175.774 174.900 0.112 0.000 1.337 157 G CA 0.426 45.477 45.100 -0.081 0.000 1.030 157 G HN 1.731 nan 8.290 nan 0.000 0.534 158 A N -1.315 121.629 122.820 0.207 0.000 2.451 158 A HA 0.542 4.864 4.320 0.003 0.000 0.266 158 A C 1.403 179.065 177.584 0.131 0.000 1.119 158 A CA 0.946 53.134 52.037 0.253 0.000 0.786 158 A CB -0.523 18.628 19.000 0.251 0.000 1.061 158 A HN 2.544 nan 8.150 nan 0.000 0.503 159 G N 1.025 109.889 108.800 0.107 0.000 2.147 159 G HA2 -0.162 3.800 3.960 0.003 0.000 0.244 159 G HA3 -0.162 3.800 3.960 0.003 0.000 0.244 159 G C 0.650 175.593 174.900 0.073 0.000 1.005 159 G CA 0.823 45.961 45.100 0.063 0.000 0.713 159 G HN 2.092 nan 8.290 nan 0.000 0.515 160 V N -3.705 116.267 119.914 0.096 0.000 3.471 160 V HA 0.669 4.790 4.120 0.003 0.000 0.258 160 V C 1.697 177.883 176.094 0.152 0.000 1.192 160 V CA 1.323 63.697 62.300 0.123 0.000 1.116 160 V CB 0.446 32.328 31.823 0.097 0.000 0.792 160 V HN 2.090 nan 8.190 nan 0.000 0.459 161 G N 0.272 109.137 108.800 0.108 0.000 2.240 161 G HA2 -0.140 3.822 3.960 0.003 0.000 0.181 161 G HA3 -0.140 3.822 3.960 0.003 0.000 0.181 161 G C 0.546 175.525 174.900 0.131 0.000 1.028 161 G CA 0.150 45.310 45.100 0.099 0.000 0.760 161 G HN 0.383 nan 8.290 nan 0.000 0.508 162 K N -0.033 120.443 120.400 0.127 0.000 2.009 162 K HA -0.062 4.259 4.320 0.003 0.000 0.210 162 K C 2.503 179.191 176.600 0.146 0.000 1.049 162 K CA 1.971 58.339 56.287 0.135 0.000 0.929 162 K CB -0.230 32.339 32.500 0.116 0.000 0.714 162 K HN 0.277 nan 8.250 nan 0.000 0.440 163 T N 1.036 115.671 114.554 0.134 0.000 2.812 163 T HA -0.076 4.276 4.350 0.003 0.000 0.264 163 T C 2.078 176.868 174.700 0.149 0.000 1.042 163 T CA 0.982 63.170 62.100 0.148 0.000 1.140 163 T CB -0.146 68.804 68.868 0.138 0.000 0.870 163 T HN -0.068 nan 8.240 nan 0.000 0.445 164 V N 1.875 121.875 119.914 0.143 0.000 2.255 164 V HA -0.151 3.970 4.120 0.003 0.000 0.247 164 V C 2.447 178.698 176.094 0.262 0.000 1.051 164 V CA 1.527 63.944 62.300 0.195 0.000 1.018 164 V CB -0.779 31.137 31.823 0.155 0.000 0.641 164 V HN 0.331 nan 8.190 nan 0.000 0.445 165 L N -0.261 121.149 121.223 0.311 0.000 2.043 165 L HA -0.196 4.145 4.340 0.003 0.000 0.212 165 L C 2.126 179.111 176.870 0.193 0.000 1.075 165 L CA 1.944 56.991 54.840 0.346 0.000 0.752 165 L CB -0.544 41.722 42.059 0.344 0.000 0.891 165 L HN 0.291 nan 8.230 nan 0.000 0.432 166 I N -1.639 119.037 120.570 0.177 0.000 2.439 166 I HA -0.240 3.932 4.170 0.003 0.000 0.251 166 I C 1.969 178.116 176.117 0.051 0.000 1.139 166 I CA 0.637 62.036 61.300 0.165 0.000 1.438 166 I CB 0.072 38.203 38.000 0.217 0.000 1.085 166 I HN 0.282 nan 8.210 nan 0.000 0.427 167 M N -0.185 119.438 119.600 0.038 0.000 2.229 167 M HA -0.174 4.308 4.480 0.003 0.000 0.264 167 M C 2.048 178.296 176.300 -0.087 0.000 1.063 167 M CA 1.424 56.699 55.300 -0.042 0.000 1.114 167 M CB -1.296 31.309 32.600 0.009 0.000 1.387 167 M HN 0.137 nan 8.290 nan 0.000 0.420 168 E N 0.661 120.799 120.200 -0.104 0.000 2.107 168 E HA -0.049 4.303 4.350 0.003 0.000 0.191 168 E C 2.025 178.506 176.600 -0.199 0.000 0.982 168 E CA 0.949 57.183 56.400 -0.278 0.000 0.809 168 E CB -0.230 29.011 29.700 -0.765 0.000 0.756 168 E HN 0.481 nan 8.360 nan 0.000 0.459 169 L N -0.183 120.995 121.223 -0.076 0.000 2.109 169 L HA -0.070 4.271 4.340 0.003 0.000 0.207 169 L C 2.302 179.185 176.870 0.020 0.000 1.086 169 L CA 0.775 55.646 54.840 0.052 0.000 0.760 169 L CB -0.284 41.920 42.059 0.241 0.000 0.910 169 L HN 0.176 nan 8.230 nan 0.000 0.437 170 I N -0.057 120.411 120.570 -0.169 0.000 2.315 170 I HA -0.272 3.899 4.170 0.003 0.000 0.248 170 I C 2.277 178.312 176.117 -0.136 0.000 1.117 170 I CA 1.190 62.302 61.300 -0.313 0.000 1.404 170 I CB -0.289 37.402 38.000 -0.515 0.000 1.071 170 I HN 0.326 nan 8.210 nan 0.000 0.419 171 N N 1.171 119.801 118.700 -0.118 0.000 2.106 171 N HA -0.172 4.569 4.740 0.003 0.000 0.188 171 N C 1.550 177.028 175.510 -0.053 0.000 1.029 171 N CA 1.644 54.642 53.050 -0.086 0.000 0.848 171 N CB -0.034 38.392 38.487 -0.102 0.000 1.007 171 N HN 0.161 nan 8.380 nan 0.000 0.423 172 N N -0.971 117.696 118.700 -0.055 0.000 2.376 172 N HA 0.011 4.752 4.740 0.003 0.000 0.177 172 N C 1.139 176.663 175.510 0.024 0.000 1.024 172 N CA 0.593 53.626 53.050 -0.029 0.000 0.893 172 N CB 0.274 38.727 38.487 -0.057 0.000 0.980 172 N HN 0.150 nan 8.380 nan 0.000 0.439 173 V N -0.398 119.552 119.914 0.059 0.000 2.996 173 V HA 0.284 4.405 4.120 0.003 0.000 0.235 173 V C 1.975 178.154 176.094 0.142 0.000 1.205 173 V CA 0.943 63.312 62.300 0.114 0.000 1.225 173 V CB -0.292 31.629 31.823 0.163 0.000 0.995 173 V HN 0.161 nan 8.190 nan 0.000 0.484 174 A N -0.128 122.773 122.820 0.135 0.000 1.930 174 A HA -0.090 4.231 4.320 0.003 0.000 0.215 174 A C 2.169 179.828 177.584 0.126 0.000 1.176 174 A CA 1.414 53.544 52.037 0.156 0.000 0.632 174 A CB -0.338 18.731 19.000 0.114 0.000 0.819 174 A HN 0.412 nan 8.150 nan 0.000 0.445 175 K N -0.396 120.039 120.400 0.059 0.000 2.074 175 K HA -0.166 4.155 4.320 0.003 0.000 0.209 175 K C 1.691 178.323 176.600 0.054 0.000 1.048 175 K CA 1.505 57.815 56.287 0.037 0.000 0.926 175 K CB -0.227 32.277 32.500 0.006 0.000 0.713 175 K HN 0.446 nan 8.250 nan 0.000 0.444 176 A N 0.333 123.194 122.820 0.069 0.000 2.387 176 A HA 0.016 4.338 4.320 0.003 0.000 0.234 176 A C 0.030 177.660 177.584 0.077 0.000 1.253 176 A CA -0.221 51.849 52.037 0.054 0.000 0.894 176 A CB -0.267 18.755 19.000 0.038 0.000 0.963 176 A HN 0.283 nan 8.150 nan 0.000 0.508 177 H N -0.639 118.444 119.070 0.022 0.000 2.815 177 H HA 0.366 4.924 4.556 0.003 0.000 0.350 177 H C 1.509 176.826 175.328 -0.018 0.000 1.080 177 H CA 0.859 56.916 56.048 0.014 0.000 1.433 177 H CB 1.111 30.899 29.762 0.045 0.000 1.432 177 H HN 0.077 nan 8.280 nan 0.000 0.592 178 G N 3.099 111.515 108.800 -0.640 0.000 2.394 178 G HA2 -0.024 3.938 3.960 0.003 0.000 0.215 178 G HA3 -0.024 3.938 3.960 0.003 0.000 0.215 178 G C 1.020 175.617 174.900 -0.505 0.000 1.165 178 G CA 0.450 45.271 45.100 -0.465 0.000 0.784 178 G HN 0.791 nan 8.290 nan 0.000 0.535 179 G N -1.009 107.319 108.800 -0.786 0.000 2.783 179 G HA2 0.486 4.447 3.960 0.003 0.000 0.182 179 G HA3 0.486 4.447 3.960 0.003 0.000 0.182 179 G C -0.736 174.019 174.900 -0.241 0.000 1.516 179 G CA -0.846 43.945 45.100 -0.515 0.000 1.079 179 G HN 0.253 nan 8.290 nan 0.000 0.573 180 Y N -1.040 119.271 120.300 0.019 0.000 2.487 180 Y HA 0.583 5.135 4.550 0.003 0.000 0.337 180 Y C 0.443 176.351 175.900 0.013 0.000 1.076 180 Y CA -0.826 57.210 58.100 -0.107 0.000 1.115 180 Y CB 2.363 40.479 38.460 -0.574 0.000 1.235 180 Y HN 0.271 nan 8.280 nan 0.000 0.468 181 S N 1.191 117.024 115.700 0.222 0.000 2.532 181 S HA 0.677 5.148 4.470 0.003 0.000 0.301 181 S C -1.113 173.621 174.600 0.224 0.000 1.083 181 S CA -0.737 57.593 58.200 0.218 0.000 1.025 181 S CB 1.752 65.124 63.200 0.286 0.000 1.056 181 S HN 0.329 nan 8.310 nan 0.000 0.494 182 V N 3.214 123.272 119.914 0.240 0.000 2.487 182 V HA 0.525 4.647 4.120 0.003 0.000 0.298 182 V C -1.146 175.116 176.094 0.279 0.000 1.028 182 V CA -0.671 61.764 62.300 0.225 0.000 0.860 182 V CB 1.339 33.260 31.823 0.162 0.000 0.991 182 V HN 0.842 nan 8.190 nan 0.000 0.427 183 F N 4.048 124.060 119.950 0.103 0.000 2.449 183 F HA 0.792 5.321 4.527 0.003 0.000 0.342 183 F C 0.196 175.914 175.800 -0.138 0.000 1.127 183 F CA -0.518 57.511 58.000 0.049 0.000 0.975 183 F CB 1.353 40.372 39.000 0.033 0.000 1.146 183 F HN 0.549 nan 8.300 nan 0.000 0.444 184 A N 4.671 127.124 122.820 -0.611 0.000 2.267 184 A HA 0.606 4.927 4.320 0.003 0.000 0.315 184 A C 0.028 177.204 177.584 -0.679 0.000 1.297 184 A CA -0.388 51.346 52.037 -0.506 0.000 0.865 184 A CB 0.197 18.995 19.000 -0.335 0.000 1.165 184 A HN 1.030 nan 8.150 nan 0.000 0.513 185 G N 1.437 109.843 108.800 -0.658 0.000 2.394 185 G HA2 0.479 4.441 3.960 0.003 0.000 0.298 185 G HA3 0.479 4.441 3.960 0.003 0.000 0.298 185 G C -0.506 174.330 174.900 -0.107 0.000 1.087 185 G CA -0.051 44.871 45.100 -0.297 0.000 1.035 185 G HN 0.700 nan 8.290 nan 0.000 0.420 186 V N 2.910 122.787 119.914 -0.062 0.000 2.326 186 V HA 0.562 4.684 4.120 0.003 0.000 0.281 186 V C 1.132 177.247 176.094 0.035 0.000 1.015 186 V CA 0.259 62.547 62.300 -0.021 0.000 0.823 186 V CB 0.849 32.640 31.823 -0.054 0.000 1.009 186 V HN 1.291 nan 8.190 nan 0.000 0.436 187 G N 3.456 112.286 108.800 0.050 0.000 2.296 187 G HA2 -0.204 3.758 3.960 0.003 0.000 0.282 187 G HA3 -0.204 3.758 3.960 0.003 0.000 0.282 187 G C 0.252 175.191 174.900 0.065 0.000 1.014 187 G CA 0.661 45.791 45.100 0.049 0.000 0.812 187 G HN 0.593 nan 8.290 nan 0.000 0.508 188 E N -0.717 119.544 120.200 0.101 0.000 2.950 188 E HA 0.467 4.818 4.350 0.003 0.000 0.234 188 E C 0.864 177.532 176.600 0.114 0.000 0.936 188 E CA -0.850 55.616 56.400 0.110 0.000 1.114 188 E CB 0.525 30.312 29.700 0.145 0.000 1.555 188 E HN 0.380 nan 8.360 nan 0.000 0.488 189 R N 0.253 120.823 120.500 0.117 0.000 2.308 189 R HA 0.263 4.605 4.340 0.003 0.000 0.305 189 R C 1.127 177.475 176.300 0.081 0.000 1.053 189 R CA -0.020 56.130 56.100 0.084 0.000 0.957 189 R CB 0.584 30.927 30.300 0.070 0.000 1.022 189 R HN 0.397 nan 8.270 nan 0.000 0.461 190 T N 1.938 116.517 114.554 0.041 0.000 2.746 190 T HA -0.181 4.171 4.350 0.003 0.000 0.267 190 T C 1.761 176.441 174.700 -0.033 0.000 1.039 190 T CA 1.177 63.269 62.100 -0.014 0.000 1.142 190 T CB -0.130 68.725 68.868 -0.021 0.000 0.866 190 T HN 0.549 nan 8.240 nan 0.000 0.444 191 R N 1.260 121.762 120.500 0.003 0.000 2.103 191 R HA -0.185 4.157 4.340 0.003 0.000 0.242 191 R C 2.105 178.416 176.300 0.018 0.000 1.142 191 R CA 1.885 57.992 56.100 0.012 0.000 0.960 191 R CB -0.173 30.144 30.300 0.028 0.000 0.858 191 R HN 0.529 nan 8.270 nan 0.000 0.439 192 E N -1.147 119.077 120.200 0.040 0.000 2.152 192 E HA -0.084 4.268 4.350 0.003 0.000 0.192 192 E C 1.899 178.511 176.600 0.018 0.000 0.983 192 E CA 0.881 57.315 56.400 0.057 0.000 0.818 192 E CB -0.111 29.656 29.700 0.111 0.000 0.758 192 E HN 0.597 nan 8.360 nan 0.000 0.467 193 G N 1.434 110.205 108.800 -0.048 0.000 2.402 193 G HA2 -0.340 3.622 3.960 0.003 0.000 0.216 193 G HA3 -0.340 3.622 3.960 0.003 0.000 0.216 193 G C 1.411 176.160 174.900 -0.252 0.000 1.162 193 G CA 1.038 45.938 45.100 -0.332 0.000 0.777 193 G HN 0.213 nan 8.290 nan 0.000 0.539 194 N N 0.455 119.075 118.700 -0.132 0.000 2.084 194 N HA -0.110 4.631 4.740 0.003 0.000 0.190 194 N C 1.768 177.371 175.510 0.156 0.000 1.030 194 N CA 1.619 54.696 53.050 0.045 0.000 0.849 194 N CB -0.137 38.394 38.487 0.074 0.000 1.012 194 N HN 0.128 nan 8.380 nan 0.000 0.423 195 D N 0.189 120.634 120.400 0.074 0.000 2.137 195 D HA -0.205 4.437 4.640 0.003 0.000 0.189 195 D C 1.879 178.201 176.300 0.036 0.000 0.998 195 D CA 1.093 55.129 54.000 0.059 0.000 0.839 195 D CB -0.664 40.155 40.800 0.031 0.000 0.962 195 D HN 0.273 nan 8.370 nan 0.000 0.446 196 L N -0.382 120.829 121.223 -0.020 0.000 2.083 196 L HA -0.178 4.163 4.340 0.003 0.000 0.209 196 L C 2.193 179.037 176.870 -0.045 0.000 1.083 196 L CA 1.492 56.281 54.840 -0.086 0.000 0.752 196 L CB -0.695 41.229 42.059 -0.225 0.000 0.899 196 L HN 0.099 nan 8.230 nan 0.000 0.433 197 Y N -0.372 119.826 120.300 -0.170 0.000 2.145 197 Y HA -0.271 4.281 4.550 0.003 0.000 0.286 197 Y C 2.653 178.401 175.900 -0.253 0.000 1.145 197 Y CA 2.192 60.153 58.100 -0.231 0.000 1.148 197 Y CB -0.474 37.786 38.460 -0.332 0.000 0.981 197 Y HN 0.363 nan 8.280 nan 0.000 0.507 198 H N -0.228 118.765 119.070 -0.129 0.000 2.502 198 H HA -0.015 4.542 4.556 0.003 0.000 0.283 198 H C 1.819 177.054 175.328 -0.155 0.000 1.015 198 H CA 1.400 57.326 56.048 -0.203 0.000 1.298 198 H CB 0.101 29.806 29.762 -0.096 0.000 1.411 198 H HN 0.583 nan 8.280 nan 0.000 0.556 199 E N 0.044 120.229 120.200 -0.026 0.000 2.216 199 E HA -0.037 4.315 4.350 0.003 0.000 0.192 199 E C 1.868 178.418 176.600 -0.084 0.000 0.988 199 E CA 0.396 56.766 56.400 -0.050 0.000 0.834 199 E CB 0.210 29.880 29.700 -0.050 0.000 0.772 199 E HN 0.376 nan 8.360 nan 0.000 0.479 200 M N -0.085 119.442 119.600 -0.121 0.000 2.435 200 M HA 0.044 4.525 4.480 0.003 0.000 0.265 200 M C 2.001 178.214 176.300 -0.144 0.000 1.104 200 M CA 0.616 55.845 55.300 -0.117 0.000 1.140 200 M CB 0.186 32.726 32.600 -0.100 0.000 1.372 200 M HN 0.107 nan 8.290 nan 0.000 0.456 201 I N 0.102 120.533 120.570 -0.231 0.000 2.202 201 I HA -0.261 3.911 4.170 0.003 0.000 0.242 201 I C 2.428 178.476 176.117 -0.115 0.000 1.091 201 I CA 1.221 62.392 61.300 -0.215 0.000 1.368 201 I CB -0.387 37.423 38.000 -0.317 0.000 1.058 201 I HN 0.239 nan 8.210 nan 0.000 0.410 202 E N 1.427 121.572 120.200 -0.091 0.000 2.070 202 E HA -0.239 4.113 4.350 0.003 0.000 0.197 202 E C 2.174 178.743 176.600 -0.051 0.000 1.004 202 E CA 2.148 58.514 56.400 -0.057 0.000 0.805 202 E CB -0.182 29.491 29.700 -0.045 0.000 0.744 202 E HN 0.481 nan 8.360 nan 0.000 0.451 203 S N -1.828 113.839 115.700 -0.055 0.000 2.562 203 S HA 0.196 4.668 4.470 0.003 0.000 0.221 203 S C 1.651 176.230 174.600 -0.036 0.000 0.975 203 S CA 0.647 58.821 58.200 -0.042 0.000 0.918 203 S CB 0.147 63.321 63.200 -0.043 0.000 0.772 203 S HN 0.568 nan 8.310 nan 0.000 0.531 204 G N 0.794 109.568 108.800 -0.043 0.000 2.176 204 G HA2 -0.359 3.603 3.960 0.003 0.000 0.253 204 G HA3 -0.359 3.603 3.960 0.003 0.000 0.253 204 G C 0.895 175.782 174.900 -0.021 0.000 0.979 204 G CA 0.569 45.649 45.100 -0.032 0.000 0.641 204 G HN 1.378 nan 8.290 nan 0.000 0.530 205 V N -1.607 118.295 119.914 -0.021 0.000 2.759 205 V HA 0.394 4.516 4.120 0.003 0.000 0.256 205 V C 1.339 177.435 176.094 0.002 0.000 1.080 205 V CA 1.368 63.669 62.300 0.002 0.000 1.101 205 V CB -0.232 31.597 31.823 0.010 0.000 0.698 205 V HN 0.474 nan 8.190 nan 0.000 0.477 206 I N 1.985 122.537 120.570 -0.029 0.000 2.378 206 I HA 0.442 4.614 4.170 0.003 0.000 0.291 206 I C -0.560 175.527 176.117 -0.051 0.000 0.992 206 I CA -0.194 61.086 61.300 -0.033 0.000 1.154 206 I CB 1.526 39.489 38.000 -0.060 0.000 1.315 206 I HN 0.156 nan 8.210 nan 0.000 0.448 207 N N 6.841 125.525 118.700 -0.026 0.000 2.407 207 N HA 0.359 5.101 4.740 0.003 0.000 0.277 207 N C 0.210 175.709 175.510 -0.018 0.000 0.995 207 N CA -0.422 52.612 53.050 -0.027 0.000 0.903 207 N CB 2.054 40.534 38.487 -0.012 0.000 1.218 207 N HN 0.585 nan 8.380 nan 0.000 0.487 208 L N 2.300 123.507 121.223 -0.027 0.000 2.554 208 L HA 0.111 4.452 4.340 0.003 0.000 0.226 208 L C 1.606 178.476 176.870 0.000 0.000 1.137 208 L CA 0.483 55.318 54.840 -0.008 0.000 0.863 208 L CB 0.048 42.098 42.059 -0.015 0.000 0.985 208 L HN 0.306 nan 8.230 nan 0.000 0.451 209 K N -0.286 120.112 120.400 -0.004 0.000 2.387 209 K HA 0.124 4.445 4.320 0.003 0.000 0.197 209 K C 0.383 176.985 176.600 0.003 0.000 1.127 209 K CA 0.452 56.739 56.287 0.000 0.000 0.950 209 K CB 0.344 32.842 32.500 -0.003 0.000 1.017 209 K HN 0.365 nan 8.250 nan 0.000 0.519 210 D N -1.034 119.368 120.400 0.003 0.000 2.636 210 D HA 0.371 5.012 4.640 0.003 0.000 0.236 210 D C -0.062 176.244 176.300 0.010 0.000 1.176 210 D CA -0.646 53.358 54.000 0.007 0.000 1.081 210 D CB 0.153 40.957 40.800 0.007 0.000 1.213 210 D HN -0.136 nan 8.370 nan 0.000 0.633 211 A N -0.958 121.870 122.820 0.014 0.000 2.594 211 A HA 0.322 4.644 4.320 0.003 0.000 0.287 211 A C 0.966 178.565 177.584 0.026 0.000 1.227 211 A CA 0.259 52.306 52.037 0.018 0.000 0.952 211 A CB -0.779 18.234 19.000 0.022 0.000 1.161 211 A HN 0.542 nan 8.150 nan 0.000 0.524 212 T N -2.509 112.059 114.554 0.023 0.000 3.129 212 T HA 0.121 4.473 4.350 0.003 0.000 0.251 212 T C 0.762 175.486 174.700 0.039 0.000 1.117 212 T CA 0.353 62.473 62.100 0.033 0.000 1.034 212 T CB -0.358 68.523 68.868 0.022 0.000 0.968 212 T HN 0.161 nan 8.240 nan 0.000 0.526 213 S N 1.961 117.675 115.700 0.024 0.000 2.563 213 S HA 0.128 4.599 4.470 0.003 0.000 0.294 213 S C 0.958 175.580 174.600 0.037 0.000 1.279 213 S CA -0.171 58.043 58.200 0.022 0.000 1.069 213 S CB 0.603 63.809 63.200 0.010 0.000 0.828 213 S HN 0.471 nan 8.310 nan 0.000 0.497 214 K N 1.221 121.663 120.400 0.070 0.000 2.374 214 K HA 0.209 4.531 4.320 0.003 0.000 0.202 214 K C -0.723 175.949 176.600 0.119 0.000 1.040 214 K CA 0.159 56.538 56.287 0.153 0.000 1.085 214 K CB 0.739 33.340 32.500 0.167 0.000 0.873 214 K HN 0.354 nan 8.250 nan 0.000 0.539 215 V N 1.332 121.287 119.914 0.070 0.000 2.531 215 V HA 0.487 4.609 4.120 0.003 0.000 0.301 215 V C -0.560 175.591 176.094 0.095 0.000 1.034 215 V CA -1.247 61.114 62.300 0.100 0.000 0.865 215 V CB 1.499 33.387 31.823 0.109 0.000 0.995 215 V HN 0.099 nan 8.190 nan 0.000 0.424 216 A N 5.822 128.720 122.820 0.129 0.000 2.301 216 A HA 0.889 5.211 4.320 0.003 0.000 0.312 216 A C -0.686 176.995 177.584 0.162 0.000 1.182 216 A CA -0.478 51.644 52.037 0.142 0.000 0.826 216 A CB 0.642 19.755 19.000 0.188 0.000 1.134 216 A HN 0.824 nan 8.150 nan 0.000 0.501 217 L N 2.576 123.891 121.223 0.154 0.000 2.329 217 L HA 0.624 4.966 4.340 0.003 0.000 0.279 217 L C -0.985 175.957 176.870 0.120 0.000 1.014 217 L CA -0.883 54.071 54.840 0.190 0.000 0.814 217 L CB 1.912 44.158 42.059 0.311 0.000 1.257 217 L HN 0.414 nan 8.230 nan 0.000 0.424 218 V N 3.032 122.946 119.914 -0.001 0.000 2.525 218 V HA 0.418 4.540 4.120 0.003 0.000 0.299 218 V C -1.276 174.710 176.094 -0.180 0.000 1.034 218 V CA -0.613 61.664 62.300 -0.039 0.000 0.863 218 V CB 1.701 33.483 31.823 -0.068 0.000 0.999 218 V HN 0.451 nan 8.190 nan 0.000 0.423 219 Y N 1.839 122.157 120.300 0.031 0.000 2.361 219 Y HA 0.728 5.280 4.550 0.003 0.000 0.337 219 Y C 0.629 176.540 175.900 0.018 0.000 0.965 219 Y CA -0.593 57.530 58.100 0.038 0.000 1.091 219 Y CB 2.701 41.178 38.460 0.028 0.000 1.182 219 Y HN 0.698 nan 8.280 nan 0.000 0.450 220 G N 4.064 112.958 108.800 0.156 0.000 3.881 220 G HA2 0.266 4.228 3.960 0.003 0.000 0.319 220 G HA3 0.266 4.228 3.960 0.003 0.000 0.319 220 G C -0.799 174.164 174.900 0.104 0.000 1.472 220 G CA -0.532 44.629 45.100 0.101 0.000 0.851 220 G HN 0.330 nan 8.290 nan 0.000 0.495 221 Q N 0.832 120.711 119.800 0.133 0.000 2.370 221 Q HA 0.226 4.568 4.340 0.003 0.000 0.186 221 Q C 2.029 178.070 176.000 0.068 0.000 1.093 221 Q CA -0.588 55.288 55.803 0.120 0.000 1.142 221 Q CB 0.570 29.390 28.738 0.137 0.000 1.175 221 Q HN 0.700 nan 8.270 nan 0.000 0.625 222 M N -0.167 119.467 119.600 0.057 0.000 2.686 222 M HA 0.001 4.483 4.480 0.003 0.000 0.246 222 M C 0.671 176.986 176.300 0.026 0.000 1.096 222 M CA 0.940 56.261 55.300 0.034 0.000 1.076 222 M CB -0.311 32.305 32.600 0.027 0.000 1.504 222 M HN 0.345 nan 8.290 nan 0.000 0.524 223 N N 0.258 118.975 118.700 0.029 0.000 2.422 223 N HA 0.006 4.748 4.740 0.003 0.000 0.181 223 N C -0.251 175.270 175.510 0.018 0.000 1.080 223 N CA 0.384 53.446 53.050 0.020 0.000 0.893 223 N CB -0.161 38.336 38.487 0.016 0.000 0.973 223 N HN 0.389 nan 8.380 nan 0.000 0.456 224 E N 2.180 122.394 120.200 0.023 0.000 2.313 224 E HA 0.326 4.677 4.350 0.003 0.000 0.272 224 E C -2.110 174.497 176.600 0.011 0.000 1.038 224 E CA -2.036 54.376 56.400 0.020 0.000 0.863 224 E CB 0.770 30.487 29.700 0.027 0.000 1.060 224 E HN 0.249 nan 8.360 nan 0.000 0.402 225 P HA 0.071 nan 4.420 nan 0.000 0.272 225 P C -1.976 175.322 177.300 -0.004 0.000 1.240 225 P CA -1.111 61.990 63.100 0.002 0.000 0.791 225 P CB 0.197 31.899 31.700 0.004 0.000 0.978 226 P HA -0.161 nan 4.420 nan 0.000 0.216 226 P C 1.694 178.977 177.300 -0.028 0.000 1.150 226 P CA 1.848 64.930 63.100 -0.030 0.000 0.837 226 P CB -0.707 30.968 31.700 -0.041 0.000 0.786 227 G N 0.566 109.358 108.800 -0.013 0.000 2.469 227 G HA2 -0.266 3.695 3.960 0.003 0.000 0.220 227 G HA3 -0.266 3.695 3.960 0.003 0.000 0.220 227 G C 1.786 176.693 174.900 0.011 0.000 1.136 227 G CA 1.149 46.248 45.100 -0.001 0.000 0.759 227 G HN 0.392 nan 8.290 nan 0.000 0.562 228 A N 0.593 123.420 122.820 0.012 0.000 1.929 228 A HA 0.099 4.420 4.320 0.003 0.000 0.216 228 A C 2.435 180.032 177.584 0.021 0.000 1.176 228 A CA 1.322 53.371 52.037 0.020 0.000 0.628 228 A CB -0.272 18.741 19.000 0.022 0.000 0.816 228 A HN 0.350 nan 8.150 nan 0.000 0.444 229 R N -0.441 120.065 120.500 0.010 0.000 2.148 229 R HA 0.051 4.392 4.340 0.003 0.000 0.223 229 R C 2.231 178.544 176.300 0.021 0.000 1.088 229 R CA 0.891 56.997 56.100 0.010 0.000 0.985 229 R CB -0.310 29.984 30.300 -0.009 0.000 0.880 229 R HN 0.488 nan 8.270 nan 0.000 0.451 230 A N 0.812 123.630 122.820 -0.003 0.000 2.014 230 A HA -0.047 4.275 4.320 0.003 0.000 0.218 230 A C 1.831 179.503 177.584 0.146 0.000 1.163 230 A CA 0.927 52.954 52.037 -0.016 0.000 0.652 230 A CB 0.070 19.012 19.000 -0.096 0.000 0.808 230 A HN 0.057 nan 8.150 nan 0.000 0.449 231 R N -1.599 118.957 120.500 0.093 0.000 2.279 231 R HA 0.146 4.488 4.340 0.003 0.000 0.195 231 R C 1.781 178.092 176.300 0.018 0.000 0.905 231 R CA 0.774 56.916 56.100 0.071 0.000 1.044 231 R CB -1.044 29.286 30.300 0.051 0.000 1.056 231 R HN 0.340 nan 8.270 nan 0.000 0.535 232 V N 1.785 121.710 119.914 0.019 0.000 2.568 232 V HA -0.211 3.910 4.120 0.003 0.000 0.253 232 V C 2.160 178.219 176.094 -0.059 0.000 1.072 232 V CA 1.998 64.288 62.300 -0.017 0.000 1.084 232 V CB -0.375 31.445 31.823 -0.003 0.000 0.676 232 V HN 0.302 nan 8.190 nan 0.000 0.469 233 A N -0.474 122.314 122.820 -0.053 0.000 1.898 233 A HA -0.104 4.217 4.320 0.003 0.000 0.216 233 A C 2.117 179.597 177.584 -0.174 0.000 1.181 233 A CA 1.746 53.702 52.037 -0.135 0.000 0.620 233 A CB -0.470 18.425 19.000 -0.175 0.000 0.819 233 A HN 0.534 nan 8.150 nan 0.000 0.442 234 L N -0.483 120.641 121.223 -0.165 0.000 2.079 234 L HA -0.185 4.156 4.340 0.003 0.000 0.210 234 L C 2.743 179.517 176.870 -0.160 0.000 1.081 234 L CA 1.876 56.597 54.840 -0.198 0.000 0.752 234 L CB -1.219 40.690 42.059 -0.250 0.000 0.896 234 L HN 0.379 nan 8.230 nan 0.000 0.433 235 T N -0.264 114.216 114.554 -0.123 0.000 2.674 235 T HA -0.117 4.234 4.350 0.003 0.000 0.265 235 T C 1.867 176.508 174.700 -0.099 0.000 1.039 235 T CA 1.382 63.423 62.100 -0.098 0.000 1.150 235 T CB -0.590 68.237 68.868 -0.068 0.000 0.864 235 T HN 0.541 nan 8.240 nan 0.000 0.427 236 G N 1.915 110.651 108.800 -0.106 0.000 2.459 236 G HA2 -0.178 3.783 3.960 0.003 0.000 0.217 236 G HA3 -0.178 3.783 3.960 0.003 0.000 0.217 236 G C 1.551 176.396 174.900 -0.092 0.000 1.183 236 G CA 1.034 46.074 45.100 -0.100 0.000 0.776 236 G HN 0.423 nan 8.290 nan 0.000 0.552 237 L N 1.165 122.315 121.223 -0.122 0.000 2.021 237 L HA -0.109 4.232 4.340 0.003 0.000 0.215 237 L C 2.743 179.563 176.870 -0.084 0.000 1.074 237 L CA 2.939 57.709 54.840 -0.116 0.000 0.760 237 L CB -1.259 40.705 42.059 -0.158 0.000 0.889 237 L HN 0.211 nan 8.230 nan 0.000 0.433 238 T N -0.886 113.613 114.554 -0.092 0.000 2.788 238 T HA -0.140 4.212 4.350 0.003 0.000 0.268 238 T C 1.998 176.653 174.700 -0.075 0.000 1.044 238 T CA 1.512 63.566 62.100 -0.076 0.000 1.139 238 T CB -0.417 68.399 68.868 -0.087 0.000 0.867 238 T HN 0.252 nan 8.240 nan 0.000 0.454 239 V N 1.863 121.723 119.914 -0.091 0.000 2.255 239 V HA -0.204 3.918 4.120 0.003 0.000 0.247 239 V C 2.930 178.990 176.094 -0.057 0.000 1.051 239 V CA 1.820 64.043 62.300 -0.128 0.000 1.018 239 V CB -1.313 30.466 31.823 -0.074 0.000 0.641 239 V HN 0.533 nan 8.190 nan 0.000 0.445 240 A N -0.526 122.328 122.820 0.058 0.000 1.908 240 A HA -0.283 4.039 4.320 0.003 0.000 0.218 240 A C 2.171 179.819 177.584 0.106 0.000 1.181 240 A CA 2.073 54.200 52.037 0.151 0.000 0.627 240 A CB -0.575 18.465 19.000 0.067 0.000 0.818 240 A HN 0.642 nan 8.150 nan 0.000 0.445 241 E N -1.707 118.509 120.200 0.027 0.000 2.085 241 E HA -0.254 4.097 4.350 0.003 0.000 0.194 241 E C 1.853 178.461 176.600 0.013 0.000 0.994 241 E CA 1.626 58.032 56.400 0.010 0.000 0.801 241 E CB -0.348 29.345 29.700 -0.013 0.000 0.743 241 E HN 0.824 nan 8.360 nan 0.000 0.453 242 Y N 0.405 120.624 120.300 -0.134 0.000 2.097 242 Y HA -0.252 4.300 4.550 0.002 0.000 0.282 242 Y C 1.858 177.698 175.900 -0.099 0.000 1.152 242 Y CA 1.736 59.721 58.100 -0.192 0.000 1.136 242 Y CB -0.454 37.776 38.460 -0.384 0.000 0.975 242 Y HN -0.025 nan 8.280 nan 0.000 0.498 243 F N -0.095 119.924 119.950 0.114 0.000 2.293 243 F HA -0.137 4.392 4.527 0.003 0.000 0.300 243 F C 2.713 178.509 175.800 -0.007 0.000 1.086 243 F CA 1.071 59.124 58.000 0.089 0.000 1.375 243 F CB -0.237 38.919 39.000 0.259 0.000 1.045 243 F HN -0.003 nan 8.300 nan 0.000 0.516 244 R N 0.453 121.036 120.500 0.139 0.000 2.073 244 R HA -0.117 4.225 4.340 0.003 0.000 0.229 244 R C 1.318 177.608 176.300 -0.017 0.000 1.120 244 R CA 1.868 58.001 56.100 0.055 0.000 0.967 244 R CB -0.087 30.231 30.300 0.031 0.000 0.862 244 R HN 0.178 nan 8.270 nan 0.000 0.436 245 D N -0.254 120.100 120.400 -0.077 0.000 2.527 245 D HA -0.045 4.596 4.640 0.003 0.000 0.249 245 D C 1.597 177.798 176.300 -0.164 0.000 1.029 245 D CA 0.491 54.431 54.000 -0.100 0.000 0.951 245 D CB -0.403 40.345 40.800 -0.086 0.000 1.093 245 D HN 0.061 nan 8.370 nan 0.000 0.464 246 Q N 0.580 120.182 119.800 -0.330 0.000 2.557 246 Q HA -0.008 4.333 4.340 0.003 0.000 0.217 246 Q C 0.530 176.316 176.000 -0.356 0.000 0.978 246 Q CA 0.714 56.263 55.803 -0.422 0.000 0.950 246 Q CB 0.308 28.600 28.738 -0.743 0.000 0.991 246 Q HN 0.540 nan 8.270 nan 0.000 0.533 247 E N -1.916 118.157 120.200 -0.212 0.000 2.653 247 E HA 0.127 4.479 4.350 0.003 0.000 0.218 247 E C 0.569 177.158 176.600 -0.017 0.000 0.911 247 E CA 0.321 56.694 56.400 -0.044 0.000 1.355 247 E CB 1.048 30.814 29.700 0.110 0.000 1.314 247 E HN 0.310 nan 8.360 nan 0.000 0.686 248 G N 2.333 111.112 108.800 -0.035 0.000 2.168 248 G HA2 -0.279 3.682 3.960 0.003 0.000 0.257 248 G HA3 -0.279 3.682 3.960 0.003 0.000 0.257 248 G C 0.302 175.196 174.900 -0.010 0.000 0.997 248 G CA 0.682 45.767 45.100 -0.024 0.000 0.708 248 G HN 0.070 nan 8.290 nan 0.000 0.520 249 Q N 0.176 119.985 119.800 0.014 0.000 2.199 249 Q HA 0.505 4.847 4.340 0.003 0.000 0.232 249 Q C -0.125 175.882 176.000 0.012 0.000 0.969 249 Q CA -0.735 55.063 55.803 -0.008 0.000 0.925 249 Q CB 0.553 29.268 28.738 -0.038 0.000 1.198 249 Q HN 0.264 nan 8.270 nan 0.000 0.494 250 D N 0.336 120.732 120.400 -0.007 0.000 2.352 250 D HA 0.230 4.871 4.640 0.003 0.000 0.245 250 D C -0.924 175.475 176.300 0.164 0.000 1.224 250 D CA 0.059 54.102 54.000 0.072 0.000 0.879 250 D CB 0.417 41.272 40.800 0.092 0.000 1.057 250 D HN 0.038 nan 8.370 nan 0.000 0.491 251 V N 3.580 123.550 119.914 0.093 0.000 2.459 251 V HA 0.378 4.499 4.120 0.003 0.000 0.295 251 V C 0.322 176.372 176.094 -0.074 0.000 1.029 251 V CA -0.905 61.439 62.300 0.074 0.000 0.874 251 V CB 1.620 33.516 31.823 0.122 0.000 0.985 251 V HN 0.316 nan 8.190 nan 0.000 0.438 252 L N 5.216 126.345 121.223 -0.157 0.000 2.295 252 L HA 0.598 4.939 4.340 0.003 0.000 0.285 252 L C -0.664 176.053 176.870 -0.256 0.000 1.035 252 L CA -0.535 54.115 54.840 -0.318 0.000 0.806 252 L CB 1.529 43.376 42.059 -0.352 0.000 1.214 252 L HN 0.473 nan 8.230 nan 0.000 0.426 253 L N 3.846 124.810 121.223 -0.433 0.000 2.349 253 L HA 0.588 4.929 4.340 0.003 0.000 0.278 253 L C -1.309 175.238 176.870 -0.538 0.000 0.996 253 L CA 0.156 54.806 54.840 -0.316 0.000 0.825 253 L CB 1.104 43.039 42.059 -0.207 0.000 1.243 253 L HN 0.212 nan 8.230 nan 0.000 0.412 254 F N 5.848 125.716 119.950 -0.136 0.000 2.458 254 F HA 0.647 5.175 4.527 0.002 0.000 0.336 254 F C -0.069 175.418 175.800 -0.522 0.000 1.114 254 F CA -0.542 57.324 58.000 -0.223 0.000 0.987 254 F CB 1.595 40.589 39.000 -0.009 0.000 1.130 254 F HN 0.218 nan 8.300 nan 0.000 0.458 255 I N 2.633 123.023 120.570 -0.301 0.000 2.478 255 I HA 0.310 4.481 4.170 0.003 0.000 0.287 255 I C -1.468 174.468 176.117 -0.301 0.000 1.042 255 I CA -0.540 60.515 61.300 -0.408 0.000 1.067 255 I CB 2.020 39.852 38.000 -0.281 0.000 1.233 255 I HN 0.427 nan 8.210 nan 0.000 0.431 256 D N 6.090 126.279 120.400 -0.352 0.000 2.476 256 D HA 0.276 4.918 4.640 0.003 0.000 0.251 256 D C -1.328 174.950 176.300 -0.036 0.000 1.291 256 D CA -0.228 53.723 54.000 -0.081 0.000 0.939 256 D CB 1.333 42.199 40.800 0.110 0.000 1.221 256 D HN 0.435 nan 8.370 nan 0.000 0.567 257 N N 4.319 123.025 118.700 0.010 0.000 2.296 257 N HA 0.165 4.907 4.740 0.003 0.000 0.294 257 N C 0.443 175.984 175.510 0.051 0.000 1.033 257 N CA -0.501 52.573 53.050 0.041 0.000 0.839 257 N CB 1.639 40.200 38.487 0.122 0.000 1.395 257 N HN 0.318 nan 8.380 nan 0.000 0.479 258 I N 4.059 124.634 120.570 0.009 0.000 2.756 258 I HA -0.051 4.120 4.170 0.003 0.000 0.262 258 I C 1.603 177.797 176.117 0.129 0.000 1.225 258 I CA 0.570 61.871 61.300 0.003 0.000 1.472 258 I CB -0.635 37.301 38.000 -0.106 0.000 1.094 258 I HN 0.611 nan 8.210 nan 0.000 0.454 259 F N 1.394 121.378 119.950 0.057 0.000 2.171 259 F HA -0.206 4.322 4.527 0.002 0.000 0.300 259 F C 2.280 178.167 175.800 0.145 0.000 1.090 259 F CA 1.478 59.556 58.000 0.129 0.000 1.293 259 F CB -0.342 38.783 39.000 0.208 0.000 1.013 259 F HN -0.032 nan 8.300 nan 0.000 0.486 260 R N 0.018 120.506 120.500 -0.020 0.000 2.152 260 R HA -0.186 4.156 4.340 0.003 0.000 0.232 260 R C 2.177 178.396 176.300 -0.135 0.000 1.117 260 R CA 1.324 57.337 56.100 -0.145 0.000 0.981 260 R CB -1.693 28.617 30.300 0.018 0.000 0.870 260 R HN 0.494 nan 8.270 nan 0.000 0.451 261 F N 1.834 121.680 119.950 -0.174 0.000 2.069 261 F HA -0.220 4.309 4.527 0.004 0.000 0.298 261 F C 1.989 177.687 175.800 -0.170 0.000 1.113 261 F CA 1.867 59.780 58.000 -0.145 0.000 1.214 261 F CB -0.472 38.456 39.000 -0.120 0.000 0.978 261 F HN -0.119 nan 8.300 nan 0.000 0.474 262 T N 0.152 114.521 114.554 -0.307 0.000 2.857 262 T HA -0.206 4.146 4.350 0.003 0.000 0.266 262 T C 1.903 176.375 174.700 -0.379 0.000 1.048 262 T CA 1.427 63.293 62.100 -0.391 0.000 1.139 262 T CB -0.349 68.437 68.868 -0.137 0.000 0.874 262 T HN 0.451 nan 8.240 nan 0.000 0.455 263 Q N 0.591 120.033 119.800 -0.595 0.000 2.084 263 Q HA -0.102 4.240 4.340 0.003 0.000 0.202 263 Q C 2.529 178.377 176.000 -0.253 0.000 0.978 263 Q CA 1.418 56.942 55.803 -0.465 0.000 0.844 263 Q CB -0.284 28.038 28.738 -0.695 0.000 0.898 263 Q HN 0.528 nan 8.270 nan 0.000 0.426 264 A N 0.647 123.308 122.820 -0.265 0.000 1.873 264 A HA -0.190 4.131 4.320 0.003 0.000 0.218 264 A C 2.289 179.764 177.584 -0.182 0.000 1.193 264 A CA 1.935 53.861 52.037 -0.186 0.000 0.629 264 A CB -1.544 17.352 19.000 -0.173 0.000 0.826 264 A HN 0.612 nan 8.150 nan 0.000 0.447 265 G N -0.258 108.381 108.800 -0.268 0.000 2.440 265 G HA2 -0.234 3.728 3.960 0.003 0.000 0.218 265 G HA3 -0.234 3.728 3.960 0.003 0.000 0.218 265 G C 1.971 176.801 174.900 -0.115 0.000 1.154 265 G CA 1.963 46.932 45.100 -0.218 0.000 0.767 265 G HN 0.970 nan 8.290 nan 0.000 0.552 266 S N 0.451 116.100 115.700 -0.085 0.000 2.419 266 S HA -0.065 4.406 4.470 0.003 0.000 0.233 266 S C 1.948 176.516 174.600 -0.054 0.000 1.016 266 S CA 1.609 59.790 58.200 -0.031 0.000 0.974 266 S CB -0.294 62.903 63.200 -0.006 0.000 0.786 266 S HN 0.578 nan 8.310 nan 0.000 0.492 267 E N 0.711 120.870 120.200 -0.068 0.000 2.150 267 E HA -0.062 4.289 4.350 0.003 0.000 0.193 267 E C 1.958 178.534 176.600 -0.041 0.000 0.985 267 E CA 1.443 57.812 56.400 -0.052 0.000 0.814 267 E CB -0.134 29.534 29.700 -0.053 0.000 0.752 267 E HN 0.724 nan 8.360 nan 0.000 0.466 268 V N -2.701 117.186 119.914 -0.045 0.000 3.643 268 V HA 0.142 4.263 4.120 0.003 0.000 0.280 268 V C 1.976 178.055 176.094 -0.025 0.000 1.351 268 V CA 0.540 62.821 62.300 -0.032 0.000 1.073 268 V CB 0.726 32.529 31.823 -0.032 0.000 0.863 268 V HN 0.031 nan 8.190 nan 0.000 0.436 269 S N 1.840 117.524 115.700 -0.027 0.000 2.353 269 S HA -0.183 4.289 4.470 0.003 0.000 0.222 269 S C 2.180 176.776 174.600 -0.007 0.000 1.035 269 S CA 2.279 60.470 58.200 -0.015 0.000 1.025 269 S CB -0.442 62.754 63.200 -0.006 0.000 0.902 269 S HN 0.978 nan 8.310 nan 0.000 0.440 270 A N 1.047 123.862 122.820 -0.008 0.000 1.933 270 A HA 0.088 4.410 4.320 0.003 0.000 0.218 270 A C 2.145 179.727 177.584 -0.002 0.000 1.175 270 A CA 1.291 53.326 52.037 -0.004 0.000 0.628 270 A CB -0.676 18.320 19.000 -0.007 0.000 0.814 270 A HN 0.592 nan 8.150 nan 0.000 0.444 271 L N -0.701 120.520 121.223 -0.004 0.000 2.376 271 L HA -0.002 4.339 4.340 0.003 0.000 0.219 271 L C 1.597 178.468 176.870 0.002 0.000 1.133 271 L CA 0.383 55.222 54.840 -0.001 0.000 0.816 271 L CB -0.256 41.802 42.059 -0.003 0.000 0.933 271 L HN 0.344 nan 8.230 nan 0.000 0.449 272 L N -0.252 120.972 121.223 0.001 0.000 2.612 272 L HA 0.200 4.542 4.340 0.003 0.000 0.230 272 L C 1.235 178.109 176.870 0.007 0.000 1.140 272 L CA 0.300 55.143 54.840 0.004 0.000 0.896 272 L CB -0.386 41.673 42.059 0.000 0.000 1.065 272 L HN 0.420 nan 8.230 nan 0.000 0.447 273 G N 1.010 109.813 108.800 0.006 0.000 2.182 273 G HA2 -0.282 3.679 3.960 0.003 0.000 0.248 273 G HA3 -0.282 3.679 3.960 0.003 0.000 0.248 273 G C 0.027 174.932 174.900 0.008 0.000 1.042 273 G CA -0.172 44.932 45.100 0.007 0.000 0.775 273 G HN 0.305 nan 8.290 nan 0.000 0.501 274 R N -0.470 120.035 120.500 0.008 0.000 2.349 274 R HA 0.615 4.957 4.340 0.003 0.000 0.299 274 R C 1.192 177.500 176.300 0.013 0.000 1.027 274 R CA -0.711 55.395 56.100 0.011 0.000 0.958 274 R CB 0.711 31.019 30.300 0.013 0.000 1.047 274 R HN 0.343 nan 8.270 nan 0.000 0.468 275 I N 5.808 126.387 120.570 0.015 0.000 2.668 275 I HA 0.038 4.210 4.170 0.003 0.000 0.285 275 I C -1.516 174.616 176.117 0.024 0.000 1.168 275 I CA -1.327 59.983 61.300 0.017 0.000 1.424 275 I CB 0.361 38.371 38.000 0.017 0.000 1.377 275 I HN 0.345 nan 8.210 nan 0.000 0.560 276 P HA 0.033 nan 4.420 nan 0.000 0.271 276 P C -0.276 177.052 177.300 0.048 0.000 1.216 276 P CA -0.136 62.984 63.100 0.033 0.000 0.776 276 P CB 1.168 32.879 31.700 0.020 0.000 0.881 277 S N 1.664 117.409 115.700 0.074 0.000 2.652 277 S HA 0.533 5.004 4.470 0.003 0.000 0.267 277 S C 0.283 174.945 174.600 0.102 0.000 1.201 277 S CA -0.338 57.913 58.200 0.086 0.000 0.996 277 S CB 0.068 63.329 63.200 0.102 0.000 1.054 277 S HN 0.622 nan 8.310 nan 0.000 0.561 278 A N 0.363 123.248 122.820 0.108 0.000 2.555 278 A HA 0.358 4.679 4.320 0.003 0.000 0.233 278 A C 1.014 178.704 177.584 0.178 0.000 1.060 278 A CA 0.378 52.485 52.037 0.115 0.000 0.759 278 A CB -0.762 18.299 19.000 0.103 0.000 0.995 278 A HN 1.696 nan 8.150 nan 0.000 0.506 279 V N 0.889 120.876 119.914 0.121 0.000 4.112 279 V HA -0.288 3.834 4.120 0.003 0.000 0.233 279 V C 1.731 177.788 176.094 -0.062 0.000 0.458 279 V CA 1.687 64.042 62.300 0.092 0.000 0.909 279 V CB -2.501 29.450 31.823 0.214 0.000 0.963 279 V HN 2.936 nan 8.190 nan 0.000 1.260 280 G N -2.504 106.273 108.800 -0.038 0.000 2.159 280 G HA2 -0.335 3.626 3.960 0.003 0.000 0.256 280 G HA3 -0.335 3.626 3.960 0.003 0.000 0.256 280 G C -0.168 174.647 174.900 -0.141 0.000 0.977 280 G CA 0.428 45.458 45.100 -0.116 0.000 0.652 280 G HN 0.857 nan 8.290 nan 0.000 0.531 281 Y N 1.453 121.775 120.300 0.037 0.000 2.354 281 Y HA 0.477 5.028 4.550 0.002 0.000 0.322 281 Y C 1.320 177.227 175.900 0.012 0.000 1.253 281 Y CA -0.546 57.570 58.100 0.028 0.000 1.272 281 Y CB 0.637 39.124 38.460 0.046 0.000 1.255 281 Y HN 0.350 nan 8.280 nan 0.000 0.500 282 Q N 2.137 122.059 119.800 0.203 0.000 2.369 282 Q HA -0.018 4.323 4.340 0.003 0.000 0.295 282 Q C -2.418 173.638 176.000 0.093 0.000 1.075 282 Q CA -1.167 54.696 55.803 0.099 0.000 0.941 282 Q CB 0.479 29.247 28.738 0.049 0.000 1.260 282 Q HN 0.411 nan 8.270 nan 0.000 0.417 283 P HA -0.073 nan 4.420 nan 0.000 0.223 283 P C 0.989 178.313 177.300 0.040 0.000 1.151 283 P CA 1.578 64.708 63.100 0.050 0.000 0.787 283 P CB -0.002 31.720 31.700 0.037 0.000 0.788 284 T N -3.551 111.023 114.554 0.033 0.000 3.169 284 T HA 0.081 4.433 4.350 0.003 0.000 0.250 284 T C 1.571 176.291 174.700 0.032 0.000 1.111 284 T CA -0.165 61.953 62.100 0.030 0.000 1.010 284 T CB -1.117 67.764 68.868 0.022 0.000 0.984 284 T HN -0.008 nan 8.240 nan 0.000 0.537 285 L N 0.872 122.110 121.223 0.025 0.000 2.034 285 L HA -0.215 4.126 4.340 0.003 0.000 0.217 285 L C 2.746 179.640 176.870 0.040 0.000 1.077 285 L CA 2.152 56.993 54.840 0.003 0.000 0.769 285 L CB -0.674 41.346 42.059 -0.065 0.000 0.890 285 L HN 0.417 nan 8.230 nan 0.000 0.435 286 A N -1.047 121.803 122.820 0.049 0.000 1.898 286 A HA -0.137 4.185 4.320 0.003 0.000 0.214 286 A C 2.310 179.955 177.584 0.102 0.000 1.183 286 A CA 1.643 53.731 52.037 0.084 0.000 0.622 286 A CB -1.006 18.036 19.000 0.070 0.000 0.824 286 A HN 0.624 nan 8.150 nan 0.000 0.444 287 T N -1.614 112.987 114.554 0.079 0.000 2.737 287 T HA -0.164 4.187 4.350 0.003 0.000 0.265 287 T C 1.418 176.174 174.700 0.094 0.000 1.038 287 T CA 1.429 63.575 62.100 0.077 0.000 1.144 287 T CB -0.606 68.295 68.868 0.055 0.000 0.866 287 T HN 0.328 nan 8.240 nan 0.000 0.434 288 D N 1.124 121.590 120.400 0.109 0.000 2.126 288 D HA -0.150 4.491 4.640 0.003 0.000 0.190 288 D C 1.969 178.424 176.300 0.257 0.000 1.001 288 D CA 1.462 55.575 54.000 0.188 0.000 0.841 288 D CB -0.461 40.429 40.800 0.150 0.000 0.949 288 D HN 0.398 nan 8.370 nan 0.000 0.446 289 M N 0.302 120.032 119.600 0.216 0.000 2.213 289 M HA -0.080 4.401 4.480 0.003 0.000 0.263 289 M C 2.007 178.252 176.300 -0.093 0.000 1.062 289 M CA 1.866 57.217 55.300 0.084 0.000 1.105 289 M CB -0.136 32.514 32.600 0.082 0.000 1.385 289 M HN 0.027 nan 8.290 nan 0.000 0.417 290 G N -0.471 108.349 108.800 0.034 0.000 2.433 290 G HA2 -0.266 3.696 3.960 0.003 0.000 0.216 290 G HA3 -0.266 3.696 3.960 0.003 0.000 0.216 290 G C 1.390 176.295 174.900 0.009 0.000 1.186 290 G CA 1.485 46.628 45.100 0.072 0.000 0.779 290 G HN 0.573 nan 8.290 nan 0.000 0.543 291 T N -1.868 112.698 114.554 0.020 0.000 3.007 291 T HA 0.030 4.382 4.350 0.003 0.000 0.270 291 T C 2.126 176.797 174.700 -0.049 0.000 1.107 291 T CA 1.431 63.537 62.100 0.010 0.000 1.118 291 T CB -0.060 68.836 68.868 0.045 0.000 0.889 291 T HN 0.154 nan 8.240 nan 0.000 0.506 292 M N 0.138 119.660 119.600 -0.129 0.000 2.257 292 M HA 0.072 4.554 4.480 0.003 0.000 0.260 292 M C 2.292 178.420 176.300 -0.286 0.000 1.102 292 M CA 1.189 56.324 55.300 -0.275 0.000 1.169 292 M CB -0.457 31.801 32.600 -0.570 0.000 1.323 292 M HN 0.153 nan 8.290 nan 0.000 0.447 293 Q N 0.705 120.299 119.800 -0.343 0.000 2.181 293 Q HA -0.155 4.187 4.340 0.003 0.000 0.205 293 Q C 1.657 177.560 176.000 -0.162 0.000 0.980 293 Q CA 1.258 56.851 55.803 -0.350 0.000 0.862 293 Q CB -0.427 27.861 28.738 -0.749 0.000 0.905 293 Q HN 0.549 nan 8.270 nan 0.000 0.429 294 E N 0.139 120.289 120.200 -0.083 0.000 2.418 294 E HA -0.083 4.268 4.350 0.003 0.000 0.197 294 E C 1.707 178.289 176.600 -0.030 0.000 1.026 294 E CA 0.315 56.712 56.400 -0.004 0.000 0.862 294 E CB 0.073 29.797 29.700 0.039 0.000 0.799 294 E HN 0.313 nan 8.360 nan 0.000 0.518 295 R N -0.029 120.429 120.500 -0.070 0.000 2.173 295 R HA 0.170 4.511 4.340 0.003 0.000 0.208 295 R C 0.927 177.178 176.300 -0.082 0.000 1.035 295 R CA 0.148 56.206 56.100 -0.069 0.000 1.004 295 R CB 0.225 30.474 30.300 -0.086 0.000 0.917 295 R HN 0.042 nan 8.270 nan 0.000 0.462 296 I N 1.840 122.344 120.570 -0.110 0.000 2.349 296 I HA 0.021 4.192 4.170 0.003 0.000 0.302 296 I C -0.025 176.042 176.117 -0.084 0.000 1.180 296 I CA 0.445 61.676 61.300 -0.116 0.000 1.405 296 I CB 0.414 38.317 38.000 -0.161 0.000 1.474 296 I HN -0.058 nan 8.210 nan 0.000 0.632 297 T N 2.819 117.334 114.554 -0.066 0.000 2.886 297 T HA 0.250 4.601 4.350 0.003 0.000 0.330 297 T C -0.347 174.327 174.700 -0.044 0.000 1.488 297 T CA -0.425 61.647 62.100 -0.048 0.000 1.054 297 T CB 1.479 70.331 68.868 -0.028 0.000 1.348 297 T HN 0.286 nan 8.240 nan 0.000 0.489 298 T N 3.489 118.018 114.554 -0.041 0.000 2.907 298 T HA 0.574 4.926 4.350 0.003 0.000 0.298 298 T C 0.532 175.210 174.700 -0.037 0.000 1.017 298 T CA -0.124 61.954 62.100 -0.037 0.000 1.118 298 T CB 0.703 69.550 68.868 -0.035 0.000 0.948 298 T HN 0.871 nan 8.240 nan 0.000 0.531 299 T N -0.001 114.531 114.554 -0.037 0.000 2.773 299 T HA 0.483 4.835 4.350 0.003 0.000 0.278 299 T C 1.029 175.703 174.700 -0.044 0.000 1.011 299 T CA -1.049 61.025 62.100 -0.044 0.000 1.014 299 T CB 1.373 70.217 68.868 -0.039 0.000 1.293 299 T HN 0.349 nan 8.240 nan 0.000 0.554 300 K N 0.015 120.385 120.400 -0.051 0.000 2.211 300 K HA 0.049 4.371 4.320 0.003 0.000 0.203 300 K C 2.150 178.728 176.600 -0.036 0.000 1.050 300 K CA 0.961 57.221 56.287 -0.046 0.000 0.945 300 K CB -0.073 32.397 32.500 -0.051 0.000 0.732 300 K HN 0.436 nan 8.250 nan 0.000 0.451 301 K N -0.268 120.112 120.400 -0.034 0.000 2.296 301 K HA 0.002 4.323 4.320 0.003 0.000 0.200 301 K C 0.595 177.179 176.600 -0.027 0.000 1.048 301 K CA 0.649 56.917 56.287 -0.031 0.000 0.966 301 K CB 0.472 32.952 32.500 -0.033 0.000 0.754 301 K HN 0.243 nan 8.250 nan 0.000 0.466 302 G N -0.612 108.174 108.800 -0.024 0.000 2.328 302 G HA2 0.141 4.103 3.960 0.003 0.000 0.295 302 G HA3 0.141 4.103 3.960 0.003 0.000 0.295 302 G C -1.749 173.143 174.900 -0.014 0.000 1.413 302 G CA -0.671 44.420 45.100 -0.015 0.000 0.817 302 G HN -0.089 nan 8.290 nan 0.000 0.546 303 S N -0.448 115.249 115.700 -0.005 0.000 2.552 303 S HA 0.721 5.192 4.470 0.003 0.000 0.314 303 S C -0.462 174.132 174.600 -0.011 0.000 1.099 303 S CA -0.691 57.503 58.200 -0.010 0.000 1.070 303 S CB 0.458 63.656 63.200 -0.003 0.000 0.998 303 S HN 0.562 nan 8.310 nan 0.000 0.474 304 I N 4.370 124.920 120.570 -0.034 0.000 2.362 304 I HA 0.267 4.439 4.170 0.003 0.000 0.289 304 I C -0.019 176.036 176.117 -0.103 0.000 0.994 304 I CA -0.464 60.798 61.300 -0.063 0.000 1.158 304 I CB 2.014 39.974 38.000 -0.066 0.000 1.315 304 I HN 0.499 nan 8.210 nan 0.000 0.451 305 T N 4.840 119.303 114.554 -0.151 0.000 2.738 305 T HA 0.259 4.611 4.350 0.003 0.000 0.298 305 T C 0.107 174.619 174.700 -0.312 0.000 0.962 305 T CA -0.526 61.454 62.100 -0.200 0.000 0.972 305 T CB 0.508 69.259 68.868 -0.195 0.000 0.928 305 T HN 0.671 nan 8.240 nan 0.000 0.474 306 S N 2.531 118.060 115.700 -0.285 0.000 2.451 306 S HA 0.716 5.187 4.470 0.003 0.000 0.301 306 S C -0.453 173.930 174.600 -0.362 0.000 1.116 306 S CA -0.805 57.196 58.200 -0.333 0.000 1.093 306 S CB 1.286 64.344 63.200 -0.237 0.000 1.017 306 S HN 0.373 nan 8.310 nan 0.000 0.482 307 V N 3.494 123.154 119.914 -0.423 0.000 2.444 307 V HA 0.474 4.596 4.120 0.003 0.000 0.294 307 V C -0.593 175.389 176.094 -0.187 0.000 1.022 307 V CA -0.500 61.625 62.300 -0.293 0.000 0.850 307 V CB 1.345 33.060 31.823 -0.180 0.000 0.992 307 V HN 0.966 nan 8.190 nan 0.000 0.426 308 Q N 3.085 122.771 119.800 -0.190 0.000 2.309 308 Q HA 0.699 5.041 4.340 0.003 0.000 0.270 308 Q C -0.356 175.533 176.000 -0.184 0.000 1.023 308 Q CA -0.537 55.153 55.803 -0.188 0.000 0.758 308 Q CB 2.584 31.186 28.738 -0.227 0.000 1.247 308 Q HN 0.891 nan 8.270 nan 0.000 0.455 309 A N 3.714 126.468 122.820 -0.110 0.000 2.409 309 A HA 0.545 4.867 4.320 0.003 0.000 0.262 309 A C -0.329 177.187 177.584 -0.114 0.000 1.113 309 A CA -0.116 51.875 52.037 -0.077 0.000 0.790 309 A CB 0.079 19.091 19.000 0.020 0.000 1.046 309 A HN 0.754 nan 8.150 nan 0.000 0.496 310 I N 3.040 123.496 120.570 -0.190 0.000 2.493 310 I HA 0.146 4.317 4.170 0.003 0.000 0.279 310 I C -0.712 175.367 176.117 -0.063 0.000 1.045 310 I CA -0.506 60.662 61.300 -0.221 0.000 1.106 310 I CB 1.091 38.649 38.000 -0.736 0.000 1.216 310 I HN 0.734 nan 8.210 nan 0.000 0.459 311 Y N 7.130 127.385 120.300 -0.075 0.000 2.597 311 Y HA 0.261 4.812 4.550 0.002 0.000 0.336 311 Y C -0.283 175.450 175.900 -0.279 0.000 1.216 311 Y CA 0.016 58.008 58.100 -0.181 0.000 1.463 311 Y CB 0.801 39.093 38.460 -0.280 0.000 1.303 311 Y HN 0.265 nan 8.280 nan 0.000 0.576 312 V N 9.229 128.591 119.914 -0.920 0.000 2.304 312 V HA 0.287 4.408 4.120 0.003 0.000 0.278 312 V C -2.251 173.176 176.094 -1.111 0.000 1.018 312 V CA -2.092 59.777 62.300 -0.718 0.000 0.814 312 V CB 0.893 32.560 31.823 -0.260 0.000 1.021 312 V HN 0.722 nan 8.190 nan 0.000 0.440 313 P HA 0.132 nan 4.420 nan 0.000 0.266 313 P C 0.669 177.831 177.300 -0.230 0.000 1.195 313 P CA 0.610 63.396 63.100 -0.523 0.000 0.768 313 P CB 0.669 32.288 31.700 -0.135 0.000 0.838 314 A N 3.332 126.092 122.820 -0.100 0.000 2.771 314 A HA -0.273 4.049 4.320 0.003 0.000 0.294 314 A C 0.944 178.493 177.584 -0.059 0.000 1.500 314 A CA 1.350 53.366 52.037 -0.035 0.000 0.829 314 A CB -2.556 16.443 19.000 -0.001 0.000 0.998 314 A HN 0.647 nan 8.150 nan 0.000 0.526 315 D N -1.902 118.429 120.400 -0.115 0.000 3.077 315 D HA -0.177 4.465 4.640 0.003 0.000 0.217 315 D C -0.214 176.045 176.300 -0.067 0.000 1.162 315 D CA 2.161 56.107 54.000 -0.090 0.000 0.943 315 D CB -0.900 39.877 40.800 -0.039 0.000 1.122 315 D HN 0.958 nan 8.370 nan 0.000 0.413 316 D N 0.042 120.400 120.400 -0.070 0.000 2.373 316 D HA 0.272 4.913 4.640 0.003 0.000 0.227 316 D C 1.279 177.574 176.300 -0.008 0.000 1.091 316 D CA -0.451 53.533 54.000 -0.027 0.000 0.840 316 D CB 0.613 41.409 40.800 -0.006 0.000 1.060 316 D HN 0.063 nan 8.370 nan 0.000 0.502 317 L N 2.675 123.907 121.223 0.014 0.000 2.376 317 L HA -0.041 4.300 4.340 0.003 0.000 0.219 317 L C 2.303 179.228 176.870 0.091 0.000 1.133 317 L CA 1.143 56.025 54.840 0.070 0.000 0.816 317 L CB -0.200 41.898 42.059 0.064 0.000 0.933 317 L HN 0.524 nan 8.230 nan 0.000 0.449 318 T N -4.308 110.273 114.554 0.044 0.000 3.113 318 T HA -0.104 4.248 4.350 0.003 0.000 0.256 318 T C 0.855 175.599 174.700 0.074 0.000 1.131 318 T CA -0.286 61.841 62.100 0.046 0.000 1.074 318 T CB -0.363 68.516 68.868 0.019 0.000 0.944 318 T HN 0.205 nan 8.240 nan 0.000 0.516 319 D N 2.891 123.341 120.400 0.084 0.000 2.531 319 D HA 0.002 4.644 4.640 0.003 0.000 0.239 319 D C -1.391 174.976 176.300 0.112 0.000 1.144 319 D CA -1.244 52.832 54.000 0.128 0.000 0.869 319 D CB 1.335 42.211 40.800 0.127 0.000 1.160 319 D HN 0.048 nan 8.370 nan 0.000 0.484 320 P HA -0.258 nan 4.420 nan 0.000 0.219 320 P C 0.958 178.195 177.300 -0.104 0.000 1.158 320 P CA 2.412 65.485 63.100 -0.045 0.000 0.895 320 P CB 0.079 31.692 31.700 -0.145 0.000 0.792 321 A N -0.181 122.530 122.820 -0.182 0.000 1.841 321 A HA -0.153 4.168 4.320 0.003 0.000 0.216 321 A C 0.002 177.670 177.584 0.140 0.000 1.199 321 A CA 2.706 54.737 52.037 -0.011 0.000 0.621 321 A CB -2.341 16.825 19.000 0.277 0.000 0.835 321 A HN 0.236 nan 8.150 nan 0.000 0.445 322 P HA -0.065 nan 4.420 nan 0.000 0.219 322 P C 1.530 179.006 177.300 0.292 0.000 1.150 322 P CA 1.811 65.055 63.100 0.240 0.000 0.814 322 P CB -0.185 31.660 31.700 0.242 0.000 0.787 323 A N 0.177 123.155 122.820 0.264 0.000 1.902 323 A HA -0.136 4.186 4.320 0.003 0.000 0.217 323 A C 2.199 179.954 177.584 0.285 0.000 1.181 323 A CA 2.345 54.569 52.037 0.311 0.000 0.623 323 A CB -1.892 17.201 19.000 0.156 0.000 0.818 323 A HN 0.221 nan 8.150 nan 0.000 0.443 324 T N -0.503 114.166 114.554 0.191 0.000 3.055 324 T HA -0.024 4.328 4.350 0.003 0.000 0.265 324 T C 1.719 176.575 174.700 0.260 0.000 1.111 324 T CA 1.511 63.715 62.100 0.173 0.000 1.118 324 T CB -0.215 68.720 68.868 0.111 0.000 0.909 324 T HN 0.555 nan 8.240 nan 0.000 0.501 325 T N 1.437 116.154 114.554 0.271 0.000 2.978 325 T HA 0.122 4.474 4.350 0.003 0.000 0.262 325 T C 1.511 176.404 174.700 0.322 0.000 1.063 325 T CA 0.404 62.671 62.100 0.278 0.000 1.140 325 T CB -0.453 68.483 68.868 0.114 0.000 0.886 325 T HN 0.305 nan 8.240 nan 0.000 0.470 326 F N 2.211 122.353 119.950 0.320 0.000 2.087 326 F HA -0.204 4.325 4.527 0.002 0.000 0.299 326 F C 2.661 178.528 175.800 0.111 0.000 1.100 326 F CA 1.211 59.343 58.000 0.221 0.000 1.226 326 F CB -0.456 38.546 39.000 0.003 0.000 0.983 326 F HN 0.151 nan 8.300 nan 0.000 0.479 327 A N -1.721 121.217 122.820 0.196 0.000 2.216 327 A HA -0.157 4.165 4.320 0.003 0.000 0.214 327 A C 1.457 178.972 177.584 -0.115 0.000 1.160 327 A CA 1.138 53.171 52.037 -0.008 0.000 0.725 327 A CB -0.898 18.029 19.000 -0.122 0.000 0.784 327 A HN 0.490 nan 8.150 nan 0.000 0.472 328 H N -1.129 118.000 119.070 0.098 0.000 2.551 328 H HA 0.353 4.910 4.556 0.002 0.000 0.271 328 H C -0.161 175.184 175.328 0.028 0.000 0.984 328 H CA 0.204 56.278 56.048 0.043 0.000 1.164 328 H CB 0.146 29.914 29.762 0.010 0.000 1.437 328 H HN 0.363 nan 8.280 nan 0.000 0.550 329 L N -0.037 121.275 121.223 0.149 0.000 2.319 329 L HA 0.275 4.617 4.340 0.003 0.000 0.267 329 L C 0.662 177.585 176.870 0.088 0.000 1.011 329 L CA -0.672 54.229 54.840 0.103 0.000 0.818 329 L CB 1.925 44.063 42.059 0.132 0.000 1.316 329 L HN -0.151 nan 8.230 nan 0.000 0.432 330 D N 0.498 120.930 120.400 0.054 0.000 2.380 330 D HA 0.218 4.860 4.640 0.003 0.000 0.212 330 D C 0.226 176.575 176.300 0.081 0.000 1.021 330 D CA 0.527 54.561 54.000 0.056 0.000 0.884 330 D CB 1.123 41.941 40.800 0.031 0.000 1.001 330 D HN 0.512 nan 8.370 nan 0.000 0.506 331 A N 0.706 123.573 122.820 0.078 0.000 2.422 331 A HA 0.577 4.899 4.320 0.003 0.000 0.302 331 A C -0.422 177.260 177.584 0.163 0.000 1.041 331 A CA -0.592 51.530 52.037 0.142 0.000 0.708 331 A CB 1.508 20.637 19.000 0.214 0.000 1.257 331 A HN -0.028 nan 8.150 nan 0.000 0.414 332 T N -0.485 114.218 114.554 0.248 0.000 2.809 332 T HA 0.644 4.996 4.350 0.003 0.000 0.284 332 T C -0.421 174.479 174.700 0.333 0.000 0.992 332 T CA -0.416 61.889 62.100 0.342 0.000 0.957 332 T CB 1.057 70.186 68.868 0.434 0.000 0.942 332 T HN 0.445 nan 8.240 nan 0.000 0.439 333 T N 3.681 118.447 114.554 0.355 0.000 2.753 333 T HA 0.468 4.820 4.350 0.003 0.000 0.297 333 T C -0.044 174.854 174.700 0.331 0.000 0.981 333 T CA -0.515 61.776 62.100 0.319 0.000 0.956 333 T CB 0.774 69.843 68.868 0.334 0.000 0.936 333 T HN 0.633 nan 8.240 nan 0.000 0.463 334 V N 5.618 125.685 119.914 0.256 0.000 2.350 334 V HA 0.330 4.451 4.120 0.003 0.000 0.276 334 V C -0.240 175.952 176.094 0.164 0.000 1.028 334 V CA -0.879 61.559 62.300 0.231 0.000 0.860 334 V CB 0.923 32.839 31.823 0.154 0.000 0.990 334 V HN 0.612 nan 8.190 nan 0.000 0.453 335 L N 4.291 125.615 121.223 0.167 0.000 2.350 335 L HA 0.584 4.925 4.340 0.003 0.000 0.275 335 L C 0.398 177.317 176.870 0.081 0.000 1.099 335 L CA 0.637 55.549 54.840 0.120 0.000 0.808 335 L CB 1.597 43.735 42.059 0.133 0.000 1.149 335 L HN 0.710 nan 8.230 nan 0.000 0.442 336 S N 2.329 118.058 115.700 0.048 0.000 2.521 336 S HA 0.438 4.909 4.470 0.003 0.000 0.295 336 S C 0.868 175.469 174.600 0.001 0.000 1.098 336 S CA -0.709 57.504 58.200 0.021 0.000 0.999 336 S CB 1.174 64.379 63.200 0.008 0.000 1.034 336 S HN 0.706 nan 8.310 nan 0.000 0.483 337 R N 3.105 123.606 120.500 0.003 0.000 2.115 337 R HA -0.013 4.328 4.340 0.003 0.000 0.230 337 R C 2.067 178.351 176.300 -0.026 0.000 1.111 337 R CA 1.650 57.748 56.100 -0.004 0.000 0.976 337 R CB -0.599 29.706 30.300 0.007 0.000 0.870 337 R HN 0.776 nan 8.270 nan 0.000 0.445 338 A N 1.005 123.809 122.820 -0.026 0.000 1.902 338 A HA -0.148 4.174 4.320 0.003 0.000 0.217 338 A C 2.080 179.633 177.584 -0.051 0.000 1.181 338 A CA 1.372 53.389 52.037 -0.033 0.000 0.623 338 A CB -0.417 18.567 19.000 -0.027 0.000 0.818 338 A HN 0.342 nan 8.150 nan 0.000 0.443 339 I N -0.479 120.057 120.570 -0.057 0.000 2.233 339 I HA -0.205 3.966 4.170 0.003 0.000 0.243 339 I C 2.946 178.959 176.117 -0.175 0.000 1.093 339 I CA 0.941 62.192 61.300 -0.083 0.000 1.380 339 I CB -0.349 37.616 38.000 -0.059 0.000 1.067 339 I HN 0.334 nan 8.210 nan 0.000 0.413 340 A N 0.262 122.953 122.820 -0.213 0.000 1.933 340 A HA -0.266 4.056 4.320 0.003 0.000 0.218 340 A C 2.278 179.682 177.584 -0.300 0.000 1.175 340 A CA 1.803 53.587 52.037 -0.423 0.000 0.628 340 A CB -0.663 18.206 19.000 -0.218 0.000 0.814 340 A HN 0.488 nan 8.150 nan 0.000 0.444 341 E N -0.387 119.732 120.200 -0.135 0.000 2.209 341 E HA -0.167 4.185 4.350 0.003 0.000 0.196 341 E C 1.240 177.792 176.600 -0.080 0.000 0.993 341 E CA 0.891 57.247 56.400 -0.072 0.000 0.819 341 E CB -0.061 29.614 29.700 -0.041 0.000 0.745 341 E HN 0.454 nan 8.360 nan 0.000 0.477 342 L N -0.729 120.428 121.223 -0.111 0.000 2.492 342 L HA 0.127 4.468 4.340 0.003 0.000 0.223 342 L C 1.818 178.626 176.870 -0.104 0.000 1.132 342 L CA 1.408 56.192 54.840 -0.094 0.000 0.850 342 L CB -0.890 41.125 42.059 -0.074 0.000 0.966 342 L HN 0.404 nan 8.230 nan 0.000 0.454 343 G N -0.094 108.613 108.800 -0.155 0.000 2.157 343 G HA2 -0.229 3.732 3.960 0.003 0.000 0.239 343 G HA3 -0.229 3.732 3.960 0.003 0.000 0.239 343 G C 0.386 175.279 174.900 -0.012 0.000 0.982 343 G CA -0.238 44.829 45.100 -0.054 0.000 0.650 343 G HN 0.195 nan 8.290 nan 0.000 0.527 344 I N 1.160 121.632 120.570 -0.163 0.000 2.363 344 I HA 0.426 4.598 4.170 0.003 0.000 0.292 344 I C 0.021 175.932 176.117 -0.343 0.000 1.075 344 I CA -0.302 60.945 61.300 -0.088 0.000 1.333 344 I CB -0.500 37.478 38.000 -0.036 0.000 1.415 344 I HN 0.118 nan 8.210 nan 0.000 0.502 345 Y N 6.917 127.171 120.300 -0.076 0.000 2.442 345 Y HA 0.369 4.921 4.550 0.002 0.000 0.344 345 Y C -2.073 173.619 175.900 -0.347 0.000 0.976 345 Y CA -2.353 55.629 58.100 -0.197 0.000 1.040 345 Y CB 2.477 40.803 38.460 -0.224 0.000 1.228 345 Y HN 0.426 nan 8.280 nan 0.000 0.451 346 P HA 0.018 nan 4.420 nan 0.000 0.269 346 P C -0.387 176.921 177.300 0.012 0.000 1.209 346 P CA -0.029 63.020 63.100 -0.085 0.000 0.776 346 P CB 1.010 32.687 31.700 -0.038 0.000 0.876 347 A N 3.466 126.323 122.820 0.062 0.000 2.916 347 A HA 0.211 4.533 4.320 0.003 0.000 0.254 347 A C 0.474 178.076 177.584 0.030 0.000 1.544 347 A CA -0.333 51.696 52.037 -0.014 0.000 1.224 347 A CB -1.080 17.897 19.000 -0.038 0.000 1.012 347 A HN 0.371 nan 8.150 nan 0.000 0.636 348 V N 1.348 121.290 119.914 0.046 0.000 2.521 348 V HA 0.025 4.146 4.120 0.003 0.000 0.286 348 V C 0.369 176.488 176.094 0.041 0.000 1.034 348 V CA -0.368 61.972 62.300 0.067 0.000 1.045 348 V CB 0.925 32.794 31.823 0.077 0.000 0.974 348 V HN 0.580 nan 8.190 nan 0.000 0.480 349 D N 8.307 128.735 120.400 0.046 0.000 2.344 349 D HA 0.163 4.804 4.640 0.003 0.000 0.253 349 D C -1.331 174.982 176.300 0.022 0.000 1.255 349 D CA -2.009 52.007 54.000 0.026 0.000 0.894 349 D CB 1.751 42.565 40.800 0.022 0.000 1.067 349 D HN 0.287 nan 8.370 nan 0.000 0.492 350 P HA -0.004 nan 4.420 nan 0.000 0.241 350 P C 0.892 178.181 177.300 -0.018 0.000 1.191 350 P CA 0.437 63.530 63.100 -0.011 0.000 0.771 350 P CB 0.318 32.002 31.700 -0.026 0.000 0.929 351 L N -0.968 120.247 121.223 -0.013 0.000 2.910 351 L HA 0.328 4.670 4.340 0.003 0.000 0.252 351 L C 0.897 177.750 176.870 -0.028 0.000 1.195 351 L CA 0.287 55.113 54.840 -0.023 0.000 1.003 351 L CB 0.035 42.080 42.059 -0.024 0.000 1.328 351 L HN -0.169 nan 8.230 nan 0.000 0.540 352 D N -0.927 119.464 120.400 -0.014 0.000 2.563 352 D HA 0.101 4.743 4.640 0.003 0.000 0.256 352 D C -0.182 176.128 176.300 0.017 0.000 1.400 352 D CA 0.197 54.182 54.000 -0.024 0.000 0.800 352 D CB 0.833 41.617 40.800 -0.028 0.000 1.145 352 D HN -0.098 nan 8.370 nan 0.000 0.501 353 S N -0.088 115.635 115.700 0.039 0.000 2.454 353 S HA 0.704 5.176 4.470 0.003 0.000 0.306 353 S C -0.099 174.545 174.600 0.072 0.000 1.100 353 S CA -0.615 57.638 58.200 0.088 0.000 1.087 353 S CB 1.829 65.092 63.200 0.105 0.000 1.019 353 S HN 0.277 nan 8.310 nan 0.000 0.480 354 T N -0.829 113.789 114.554 0.106 0.000 2.901 354 T HA 0.825 5.176 4.350 0.003 0.000 0.293 354 T C -0.696 174.076 174.700 0.120 0.000 1.084 354 T CA -0.826 61.325 62.100 0.084 0.000 1.008 354 T CB 1.887 70.791 68.868 0.061 0.000 1.170 354 T HN 0.447 nan 8.240 nan 0.000 0.509 355 S N -0.518 115.239 115.700 0.095 0.000 2.536 355 S HA 0.418 4.890 4.470 0.003 0.000 0.271 355 S C 0.762 175.407 174.600 0.075 0.000 1.134 355 S CA -0.808 57.455 58.200 0.106 0.000 0.897 355 S CB 2.001 65.272 63.200 0.117 0.000 1.094 355 S HN 0.913 nan 8.310 nan 0.000 0.473 356 R N 2.416 122.959 120.500 0.071 0.000 2.120 356 R HA -0.014 4.328 4.340 0.003 0.000 0.234 356 R C 1.786 178.108 176.300 0.037 0.000 1.123 356 R CA 2.152 58.282 56.100 0.050 0.000 0.975 356 R CB -0.428 29.899 30.300 0.045 0.000 0.866 356 R HN 0.830 nan 8.270 nan 0.000 0.446 357 I N -1.738 118.857 120.570 0.041 0.000 3.684 357 I HA 0.120 4.292 4.170 0.003 0.000 0.304 357 I C 0.419 176.538 176.117 0.002 0.000 1.278 357 I CA -0.150 61.163 61.300 0.022 0.000 1.272 357 I CB 0.061 38.080 38.000 0.031 0.000 1.029 357 I HN 0.005 nan 8.210 nan 0.000 0.458 358 M N 3.355 122.969 119.600 0.023 0.000 3.070 358 M HA 0.259 4.741 4.480 0.003 0.000 0.275 358 M C -0.912 175.457 176.300 0.114 0.000 1.510 358 M CA -0.041 55.288 55.300 0.048 0.000 1.608 358 M CB -1.447 31.189 32.600 0.059 0.000 1.266 358 M HN 0.298 nan 8.290 nan 0.000 0.514 359 D N 5.189 125.604 120.400 0.024 0.000 2.931 359 D HA 0.302 4.944 4.640 0.003 0.000 0.215 359 D C -2.509 173.671 176.300 -0.199 0.000 1.297 359 D CA -1.116 52.800 54.000 -0.140 0.000 0.892 359 D CB 2.354 43.101 40.800 -0.088 0.000 1.642 359 D HN 0.163 nan 8.370 nan 0.000 0.560 360 P HA -0.097 nan 4.420 nan 0.000 0.219 360 P C 0.720 177.948 177.300 -0.121 0.000 1.146 360 P CA 0.759 63.701 63.100 -0.263 0.000 0.808 360 P CB 0.476 31.933 31.700 -0.405 0.000 0.779 361 N N -0.614 118.009 118.700 -0.128 0.000 2.515 361 N HA 0.034 4.776 4.740 0.003 0.000 0.185 361 N C 1.729 177.216 175.510 -0.039 0.000 1.109 361 N CA 0.714 53.723 53.050 -0.069 0.000 0.903 361 N CB 0.015 38.461 38.487 -0.068 0.000 0.969 361 N HN 0.339 nan 8.380 nan 0.000 0.450 362 I N -0.467 120.079 120.570 -0.040 0.000 3.443 362 I HA -0.049 4.123 4.170 0.003 0.000 0.277 362 I C 1.776 177.899 176.117 0.009 0.000 1.169 362 I CA 0.272 61.565 61.300 -0.013 0.000 1.419 362 I CB 0.129 38.121 38.000 -0.014 0.000 1.331 362 I HN -0.139 nan 8.210 nan 0.000 0.458 363 V N -0.815 119.100 119.914 0.001 0.000 3.649 363 V HA 0.520 4.642 4.120 0.003 0.000 0.275 363 V C 0.903 177.063 176.094 0.110 0.000 1.281 363 V CA 0.106 62.432 62.300 0.045 0.000 1.143 363 V CB -1.252 30.492 31.823 -0.132 0.000 0.892 363 V HN 0.493 nan 8.190 nan 0.000 0.441 364 G N 1.138 109.978 108.800 0.066 0.000 2.716 364 G HA2 -0.148 3.814 3.960 0.003 0.000 0.686 364 G HA3 -0.148 3.814 3.960 0.003 0.000 0.686 364 G C 0.445 175.412 174.900 0.112 0.000 1.337 364 G CA 0.275 45.422 45.100 0.078 0.000 0.829 364 G HN 1.357 nan 8.290 nan 0.000 0.599 365 S N -0.308 115.447 115.700 0.091 0.000 2.447 365 S HA -0.046 4.426 4.470 0.003 0.000 0.233 365 S C 1.711 176.418 174.600 0.178 0.000 1.006 365 S CA 1.726 60.003 58.200 0.127 0.000 0.957 365 S CB 0.078 63.325 63.200 0.077 0.000 0.773 365 S HN 0.921 nan 8.310 nan 0.000 0.507 366 E N 1.150 121.441 120.200 0.153 0.000 2.015 366 E HA -0.226 4.125 4.350 0.003 0.000 0.191 366 E C 2.021 178.740 176.600 0.199 0.000 0.991 366 E CA 1.142 57.630 56.400 0.146 0.000 0.802 366 E CB -0.450 29.316 29.700 0.111 0.000 0.759 366 E HN 0.829 nan 8.360 nan 0.000 0.447 367 H N -1.420 117.709 119.070 0.099 0.000 2.289 367 H HA -0.253 4.305 4.556 0.003 0.000 0.296 367 H C 2.162 177.547 175.328 0.095 0.000 1.091 367 H CA 1.843 57.945 56.048 0.090 0.000 1.274 367 H CB -0.157 29.658 29.762 0.089 0.000 1.364 367 H HN 0.295 nan 8.280 nan 0.000 0.490 368 Y N 1.545 121.919 120.300 0.123 0.000 2.128 368 Y HA -0.256 4.295 4.550 0.002 0.000 0.284 368 Y C 2.155 178.085 175.900 0.050 0.000 1.154 368 Y CA 2.046 60.159 58.100 0.022 0.000 1.149 368 Y CB -0.364 38.090 38.460 -0.009 0.000 0.976 368 Y HN 0.326 nan 8.280 nan 0.000 0.505 369 D N -0.773 119.707 120.400 0.133 0.000 2.144 369 D HA -0.153 4.489 4.640 0.003 0.000 0.200 369 D C 2.356 178.646 176.300 -0.017 0.000 0.978 369 D CA 1.510 55.538 54.000 0.047 0.000 0.833 369 D CB -0.269 40.602 40.800 0.117 0.000 0.961 369 D HN 0.317 nan 8.370 nan 0.000 0.470 370 V N 1.273 121.206 119.914 0.033 0.000 2.379 370 V HA -0.175 3.946 4.120 0.003 0.000 0.245 370 V C 2.529 178.605 176.094 -0.029 0.000 1.044 370 V CA 1.587 63.909 62.300 0.036 0.000 1.036 370 V CB -0.788 31.091 31.823 0.093 0.000 0.664 370 V HN 0.151 nan 8.190 nan 0.000 0.453 371 A N 0.358 123.145 122.820 -0.055 0.000 1.865 371 A HA -0.216 4.106 4.320 0.003 0.000 0.217 371 A C 2.316 179.782 177.584 -0.197 0.000 1.191 371 A CA 1.700 53.660 52.037 -0.128 0.000 0.623 371 A CB -0.500 18.431 19.000 -0.114 0.000 0.826 371 A HN 0.389 nan 8.150 nan 0.000 0.444 372 R N -0.372 119.943 120.500 -0.309 0.000 2.152 372 R HA -0.086 4.256 4.340 0.003 0.000 0.232 372 R C 2.238 178.455 176.300 -0.139 0.000 1.117 372 R CA 1.157 57.090 56.100 -0.278 0.000 0.981 372 R CB -1.597 28.457 30.300 -0.409 0.000 0.870 372 R HN 0.561 nan 8.270 nan 0.000 0.451 373 G N 0.092 108.833 108.800 -0.098 0.000 2.394 373 G HA2 -0.155 3.807 3.960 0.003 0.000 0.215 373 G HA3 -0.155 3.807 3.960 0.003 0.000 0.215 373 G C 1.566 176.449 174.900 -0.028 0.000 1.165 373 G CA 0.508 45.584 45.100 -0.039 0.000 0.784 373 G HN 0.156 nan 8.290 nan 0.000 0.535 374 V N 0.604 120.490 119.914 -0.047 0.000 2.295 374 V HA -0.259 3.863 4.120 0.003 0.000 0.246 374 V C 2.925 178.990 176.094 -0.048 0.000 1.049 374 V CA 2.317 64.587 62.300 -0.050 0.000 1.024 374 V CB -0.557 31.170 31.823 -0.159 0.000 0.648 374 V HN 0.425 nan 8.190 nan 0.000 0.447 375 Q N -0.514 119.243 119.800 -0.072 0.000 2.079 375 Q HA -0.216 4.126 4.340 0.003 0.000 0.200 375 Q C 2.382 178.365 176.000 -0.028 0.000 0.974 375 Q CA 1.527 57.297 55.803 -0.055 0.000 0.840 375 Q CB -0.215 28.478 28.738 -0.075 0.000 0.898 375 Q HN 0.549 nan 8.270 nan 0.000 0.430 376 K N 0.945 121.326 120.400 -0.031 0.000 2.032 376 K HA -0.177 4.145 4.320 0.003 0.000 0.209 376 K C 1.969 178.575 176.600 0.010 0.000 1.048 376 K CA 1.200 57.480 56.287 -0.013 0.000 0.927 376 K CB -0.148 32.343 32.500 -0.015 0.000 0.712 376 K HN 0.193 nan 8.250 nan 0.000 0.441 377 I N 0.803 121.382 120.570 0.015 0.000 2.394 377 I HA -0.238 3.934 4.170 0.003 0.000 0.251 377 I C 1.802 177.964 176.117 0.075 0.000 1.136 377 I CA 0.833 62.154 61.300 0.035 0.000 1.425 377 I CB 0.153 38.165 38.000 0.020 0.000 1.079 377 I HN 0.210 nan 8.210 nan 0.000 0.425 378 L N -0.036 121.226 121.223 0.066 0.000 2.109 378 L HA -0.203 4.138 4.340 0.003 0.000 0.207 378 L C 2.518 179.441 176.870 0.088 0.000 1.086 378 L CA 0.981 55.886 54.840 0.107 0.000 0.760 378 L CB -0.496 41.602 42.059 0.065 0.000 0.910 378 L HN 0.273 nan 8.230 nan 0.000 0.437 379 Q N 0.180 120.003 119.800 0.038 0.000 2.119 379 Q HA -0.192 4.150 4.340 0.003 0.000 0.201 379 Q C 1.698 177.708 176.000 0.016 0.000 0.972 379 Q CA 1.646 57.456 55.803 0.011 0.000 0.847 379 Q CB -0.040 28.695 28.738 -0.006 0.000 0.903 379 Q HN 0.367 nan 8.270 nan 0.000 0.433 380 D N -0.993 119.432 120.400 0.041 0.000 2.117 380 D HA -0.161 4.481 4.640 0.003 0.000 0.198 380 D C 1.550 177.900 176.300 0.082 0.000 0.982 380 D CA 1.088 55.117 54.000 0.047 0.000 0.828 380 D CB -0.439 40.391 40.800 0.050 0.000 0.967 380 D HN 0.334 nan 8.370 nan 0.000 0.464 381 Y N 1.854 122.146 120.300 -0.014 0.000 2.224 381 Y HA -0.150 4.401 4.550 0.003 0.000 0.289 381 Y C 2.146 178.037 175.900 -0.015 0.000 1.146 381 Y CA 1.426 59.518 58.100 -0.014 0.000 1.182 381 Y CB -0.133 38.319 38.460 -0.013 0.000 0.983 381 Y HN -0.181 nan 8.280 nan 0.000 0.524 382 K N -0.558 119.734 120.400 -0.180 0.000 2.097 382 K HA -0.120 4.202 4.320 0.003 0.000 0.206 382 K C 2.019 178.506 176.600 -0.189 0.000 1.049 382 K CA 1.524 57.658 56.287 -0.254 0.000 0.933 382 K CB -0.209 32.220 32.500 -0.118 0.000 0.717 382 K HN 0.237 nan 8.250 nan 0.000 0.442 383 S N 0.564 116.201 115.700 -0.104 0.000 2.561 383 S HA 0.053 4.525 4.470 0.003 0.000 0.225 383 S C 1.390 175.949 174.600 -0.069 0.000 0.977 383 S CA 0.474 58.631 58.200 -0.071 0.000 0.926 383 S CB 0.078 63.255 63.200 -0.037 0.000 0.769 383 S HN 0.247 nan 8.310 nan 0.000 0.533 384 L N 0.044 121.212 121.223 -0.091 0.000 2.537 384 L HA 0.155 4.497 4.340 0.003 0.000 0.224 384 L C 2.342 179.143 176.870 -0.114 0.000 1.065 384 L CA 0.152 54.954 54.840 -0.062 0.000 0.860 384 L CB -0.322 41.746 42.059 0.014 0.000 1.086 384 L HN 0.184 nan 8.230 nan 0.000 0.482 385 Q N 0.875 120.522 119.800 -0.255 0.000 1.906 385 Q HA -0.290 4.052 4.340 0.003 0.000 0.221 385 Q C 1.510 177.427 176.000 -0.139 0.000 1.021 385 Q CA 2.311 57.941 55.803 -0.288 0.000 0.880 385 Q CB -0.169 28.327 28.738 -0.402 0.000 0.966 385 Q HN 0.442 nan 8.270 nan 0.000 0.418 386 D N -0.089 120.239 120.400 -0.119 0.000 2.265 386 D HA -0.141 4.500 4.640 0.003 0.000 0.208 386 D C 1.814 178.083 176.300 -0.051 0.000 0.977 386 D CA 0.961 54.917 54.000 -0.074 0.000 0.871 386 D CB -0.104 40.656 40.800 -0.067 0.000 0.925 386 D HN 0.315 nan 8.370 nan 0.000 0.485 387 I N 0.918 121.457 120.570 -0.051 0.000 2.188 387 I HA -0.174 3.997 4.170 0.003 0.000 0.237 387 I C 2.543 178.648 176.117 -0.019 0.000 1.073 387 I CA 0.595 61.877 61.300 -0.031 0.000 1.359 387 I CB -0.243 37.741 38.000 -0.028 0.000 1.083 387 I HN -0.066 nan 8.210 nan 0.000 0.412 388 I N -0.325 120.237 120.570 -0.014 0.000 2.756 388 I HA -0.068 4.103 4.170 0.003 0.000 0.262 388 I C 2.418 178.536 176.117 0.003 0.000 1.225 388 I CA 1.262 62.564 61.300 0.003 0.000 1.472 388 I CB -0.559 37.454 38.000 0.023 0.000 1.094 388 I HN 0.055 nan 8.210 nan 0.000 0.454 389 A N 0.992 123.807 122.820 -0.009 0.000 2.125 389 A HA -0.008 4.314 4.320 0.003 0.000 0.219 389 A C 2.277 179.858 177.584 -0.006 0.000 1.156 389 A CA 1.793 53.825 52.037 -0.008 0.000 0.671 389 A CB -0.602 18.385 19.000 -0.022 0.000 0.794 389 A HN 0.644 nan 8.150 nan 0.000 0.459 390 I N -2.303 118.262 120.570 -0.007 0.000 4.592 390 I HA 0.212 4.383 4.170 0.003 0.000 0.329 390 I C 0.965 177.080 176.117 -0.003 0.000 1.309 390 I CA 0.201 61.497 61.300 -0.006 0.000 1.243 390 I CB 0.589 38.584 38.000 -0.009 0.000 1.241 390 I HN 0.167 nan 8.210 nan 0.000 0.434 391 L N 0.751 121.973 121.223 -0.002 0.000 2.693 391 L HA 0.489 4.830 4.340 0.003 0.000 0.235 391 L C 0.540 177.412 176.870 0.004 0.000 1.127 391 L CA 0.202 55.042 54.840 -0.000 0.000 0.914 391 L CB 0.216 42.274 42.059 -0.002 0.000 1.193 391 L HN 0.237 nan 8.230 nan 0.000 0.502 392 G N 0.372 109.176 108.800 0.006 0.000 2.907 392 G HA2 -0.231 3.730 3.960 0.003 0.000 0.686 392 G HA3 -0.231 3.730 3.960 0.003 0.000 0.686 392 G C -0.163 174.745 174.900 0.014 0.000 1.115 392 G CA -0.135 44.971 45.100 0.009 0.000 0.760 392 G HN -0.017 nan 8.290 nan 0.000 0.620 393 M N 0.889 120.500 119.600 0.018 0.000 2.288 393 M HA 0.136 4.618 4.480 0.003 0.000 0.266 393 M C 1.781 178.092 176.300 0.018 0.000 1.072 393 M CA 2.341 57.654 55.300 0.023 0.000 1.132 393 M CB -0.141 32.474 32.600 0.025 0.000 1.386 393 M HN 0.521 nan 8.290 nan 0.000 0.432 394 D N 0.336 120.744 120.400 0.014 0.000 2.312 394 D HA -0.086 4.556 4.640 0.003 0.000 0.211 394 D C 0.968 177.275 176.300 0.010 0.000 0.964 394 D CA 0.712 54.719 54.000 0.011 0.000 0.877 394 D CB -0.190 40.615 40.800 0.009 0.000 0.924 394 D HN 0.446 nan 8.370 nan 0.000 0.515 395 E N 0.281 120.487 120.200 0.011 0.000 2.365 395 E HA 0.089 4.440 4.350 0.003 0.000 0.188 395 E C 0.381 176.988 176.600 0.010 0.000 1.102 395 E CA 0.003 56.409 56.400 0.009 0.000 0.927 395 E CB 0.274 29.978 29.700 0.007 0.000 1.073 395 E HN 0.347 nan 8.360 nan 0.000 0.467 396 L N 0.350 121.581 121.223 0.013 0.000 2.334 396 L HA 0.226 4.567 4.340 0.003 0.000 0.272 396 L C 0.691 177.569 176.870 0.012 0.000 1.020 396 L CA -0.696 54.153 54.840 0.015 0.000 0.812 396 L CB 1.760 43.831 42.059 0.021 0.000 1.264 396 L HN -0.076 nan 8.230 nan 0.000 0.439 397 S N 0.624 116.332 115.700 0.012 0.000 2.563 397 S HA -0.023 4.448 4.470 0.003 0.000 0.284 397 S C 1.009 175.615 174.600 0.010 0.000 1.331 397 S CA -0.298 57.909 58.200 0.010 0.000 1.047 397 S CB 0.593 63.799 63.200 0.010 0.000 0.859 397 S HN 0.610 nan 8.310 nan 0.000 0.514 398 E N 2.715 122.919 120.200 0.008 0.000 2.472 398 E HA -0.054 4.297 4.350 0.003 0.000 0.200 398 E C 1.139 177.742 176.600 0.006 0.000 1.046 398 E CA 0.883 57.288 56.400 0.007 0.000 0.871 398 E CB 0.060 29.763 29.700 0.006 0.000 0.806 398 E HN 0.762 nan 8.360 nan 0.000 0.533 399 E N -0.317 119.887 120.200 0.007 0.000 2.447 399 E HA -0.014 4.338 4.350 0.003 0.000 0.204 399 E C 1.068 177.673 176.600 0.008 0.000 0.977 399 E CA -0.115 56.288 56.400 0.006 0.000 0.950 399 E CB 0.412 30.115 29.700 0.006 0.000 0.975 399 E HN 0.060 nan 8.360 nan 0.000 0.496 400 D N 1.934 122.342 120.400 0.013 0.000 2.091 400 D HA -0.148 4.493 4.640 0.003 0.000 0.199 400 D C 1.739 178.051 176.300 0.021 0.000 0.980 400 D CA 1.198 55.211 54.000 0.021 0.000 0.831 400 D CB -0.018 40.797 40.800 0.025 0.000 0.987 400 D HN 0.207 nan 8.370 nan 0.000 0.460 401 K N 0.284 120.692 120.400 0.014 0.000 2.442 401 K HA -0.046 4.275 4.320 0.003 0.000 0.198 401 K C 1.842 178.435 176.600 -0.012 0.000 1.042 401 K CA 0.448 56.739 56.287 0.007 0.000 0.958 401 K CB 0.016 32.521 32.500 0.009 0.000 0.766 401 K HN 0.026 nan 8.250 nan 0.000 0.474 402 L N 2.213 123.430 121.223 -0.010 0.000 2.162 402 L HA -0.054 4.288 4.340 0.003 0.000 0.205 402 L C 2.429 179.277 176.870 -0.036 0.000 1.086 402 L CA 1.786 56.613 54.840 -0.020 0.000 0.778 402 L CB -0.356 41.697 42.059 -0.009 0.000 0.928 402 L HN 0.468 nan 8.230 nan 0.000 0.446 403 T N -4.718 109.822 114.554 -0.023 0.000 2.857 403 T HA -0.101 4.250 4.350 0.003 0.000 0.266 403 T C 1.854 176.508 174.700 -0.076 0.000 1.048 403 T CA 1.277 63.359 62.100 -0.029 0.000 1.139 403 T CB -0.840 68.033 68.868 0.008 0.000 0.874 403 T HN 0.062 nan 8.240 nan 0.000 0.455 404 V N 2.835 122.710 119.914 -0.066 0.000 2.407 404 V HA -0.154 3.968 4.120 0.003 0.000 0.248 404 V C 3.214 179.131 176.094 -0.295 0.000 1.055 404 V CA 2.028 64.227 62.300 -0.168 0.000 1.049 404 V CB -0.915 30.903 31.823 -0.007 0.000 0.662 404 V HN 0.803 nan 8.190 nan 0.000 0.455 405 S N 0.180 115.778 115.700 -0.170 0.000 2.395 405 S HA -0.127 4.345 4.470 0.003 0.000 0.225 405 S C 2.061 176.537 174.600 -0.207 0.000 1.027 405 S CA 0.805 58.906 58.200 -0.166 0.000 0.965 405 S CB -0.369 62.776 63.200 -0.091 0.000 0.812 405 S HN 0.554 nan 8.310 nan 0.000 0.482 406 R N 1.215 121.608 120.500 -0.179 0.000 2.090 406 R HA 0.195 4.537 4.340 0.003 0.000 0.228 406 R C 2.724 178.904 176.300 -0.201 0.000 1.110 406 R CA 1.101 57.091 56.100 -0.183 0.000 0.973 406 R CB -0.645 29.591 30.300 -0.105 0.000 0.869 406 R HN 0.568 nan 8.270 nan 0.000 0.440 407 A N 1.229 123.918 122.820 -0.219 0.000 1.898 407 A HA -0.129 4.193 4.320 0.003 0.000 0.216 407 A C 2.057 179.479 177.584 -0.270 0.000 1.181 407 A CA 0.983 52.895 52.037 -0.207 0.000 0.620 407 A CB -0.297 18.572 19.000 -0.219 0.000 0.819 407 A HN 0.180 nan 8.150 nan 0.000 0.442 408 R N -0.307 119.938 120.500 -0.425 0.000 2.120 408 R HA -0.103 4.239 4.340 0.003 0.000 0.234 408 R C 2.034 178.220 176.300 -0.191 0.000 1.123 408 R CA 1.633 57.543 56.100 -0.316 0.000 0.975 408 R CB -0.179 29.925 30.300 -0.326 0.000 0.866 408 R HN 0.519 nan 8.270 nan 0.000 0.446 409 K N 0.113 120.339 120.400 -0.289 0.000 2.076 409 K HA 0.006 4.328 4.320 0.003 0.000 0.204 409 K C 2.011 178.421 176.600 -0.317 0.000 1.051 409 K CA 0.858 56.851 56.287 -0.490 0.000 0.949 409 K CB 0.028 31.912 32.500 -1.027 0.000 0.726 409 K HN 0.077 nan 8.250 nan 0.000 0.443 410 I N 1.558 122.038 120.570 -0.151 0.000 2.179 410 I HA -0.318 3.854 4.170 0.003 0.000 0.242 410 I C 2.521 178.792 176.117 0.257 0.000 1.088 410 I CA 1.320 62.720 61.300 0.166 0.000 1.357 410 I CB -0.172 37.962 38.000 0.223 0.000 1.051 410 I HN 0.235 nan 8.210 nan 0.000 0.409 411 Q N 0.275 120.145 119.800 0.117 0.000 2.118 411 Q HA -0.305 4.036 4.340 0.003 0.000 0.211 411 Q C 2.370 178.467 176.000 0.163 0.000 0.998 411 Q CA 2.047 57.923 55.803 0.121 0.000 0.872 411 Q CB -0.114 28.669 28.738 0.075 0.000 0.925 411 Q HN 0.434 nan 8.270 nan 0.000 0.414 412 R N -1.029 119.574 120.500 0.170 0.000 2.090 412 R HA -0.077 4.265 4.340 0.003 0.000 0.228 412 R C 1.901 178.374 176.300 0.289 0.000 1.110 412 R CA 0.888 57.145 56.100 0.262 0.000 0.973 412 R CB -0.169 30.312 30.300 0.302 0.000 0.869 412 R HN 0.181 nan 8.270 nan 0.000 0.440 413 F N 0.944 120.958 119.950 0.106 0.000 2.502 413 F HA 0.021 4.550 4.527 0.003 0.000 0.298 413 F C 1.425 177.339 175.800 0.189 0.000 1.111 413 F CA 0.845 58.861 58.000 0.025 0.000 1.445 413 F CB 0.076 38.902 39.000 -0.290 0.000 1.081 413 F HN -0.067 nan 8.300 nan 0.000 0.558 414 L N -0.465 120.950 121.223 0.319 0.000 2.291 414 L HA -0.069 4.272 4.340 0.003 0.000 0.214 414 L C 1.548 178.443 176.870 0.042 0.000 1.120 414 L CA 0.512 55.490 54.840 0.230 0.000 0.799 414 L CB -0.860 41.302 42.059 0.171 0.000 0.925 414 L HN 0.132 nan 8.230 nan 0.000 0.446 415 S N -0.335 115.373 115.700 0.013 0.000 2.600 415 S HA 0.327 4.799 4.470 0.003 0.000 0.265 415 S C -0.312 174.195 174.600 -0.155 0.000 1.325 415 S CA -0.468 57.685 58.200 -0.077 0.000 1.002 415 S CB 1.869 65.018 63.200 -0.084 0.000 0.921 415 S HN 0.284 nan 8.310 nan 0.000 0.554 416 Q N 0.405 120.086 119.800 -0.198 0.000 2.443 416 Q HA 0.355 4.696 4.340 0.003 0.000 0.258 416 Q C -3.130 172.775 176.000 -0.159 0.000 0.967 416 Q CA -1.729 53.987 55.803 -0.146 0.000 0.951 416 Q CB 2.252 30.983 28.738 -0.011 0.000 1.459 416 Q HN 0.572 nan 8.270 nan 0.000 0.415 417 P HA 0.146 nan 4.420 nan 0.000 0.282 417 P C -0.967 176.466 177.300 0.222 0.000 1.274 417 P CA 0.326 63.420 63.100 -0.010 0.000 0.770 417 P CB 0.104 31.802 31.700 -0.002 0.000 0.867 418 F N 1.768 121.721 119.950 0.005 0.000 2.384 418 F HA 0.135 4.663 4.527 0.002 0.000 0.338 418 F C 2.319 178.131 175.800 0.021 0.000 1.103 418 F CA -0.700 57.311 58.000 0.019 0.000 1.157 418 F CB 1.736 40.758 39.000 0.037 0.000 1.167 418 F HN 0.370 nan 8.300 nan 0.000 0.529 419 Q N 1.861 121.740 119.800 0.133 0.000 2.096 419 Q HA -0.144 4.198 4.340 0.003 0.000 0.204 419 Q C 1.477 177.513 176.000 0.060 0.000 0.982 419 Q CA 1.746 57.584 55.803 0.058 0.000 0.850 419 Q CB -0.097 28.639 28.738 -0.003 0.000 0.901 419 Q HN 0.613 nan 8.270 nan 0.000 0.422 420 V N 0.574 120.533 119.914 0.076 0.000 2.913 420 V HA -0.103 4.018 4.120 0.003 0.000 0.260 420 V C 1.751 177.935 176.094 0.150 0.000 1.098 420 V CA 1.435 63.787 62.300 0.086 0.000 1.121 420 V CB -0.330 31.541 31.823 0.080 0.000 0.714 420 V HN 0.511 nan 8.190 nan 0.000 0.487 421 A N -1.101 121.857 122.820 0.229 0.000 2.423 421 A HA 0.156 4.478 4.320 0.003 0.000 0.246 421 A C 1.778 179.419 177.584 0.096 0.000 1.278 421 A CA -0.058 52.152 52.037 0.289 0.000 0.903 421 A CB -0.234 18.959 19.000 0.322 0.000 0.997 421 A HN 0.526 nan 8.150 nan 0.000 0.510 422 E N 0.089 120.295 120.200 0.011 0.000 2.118 422 E HA -0.189 4.162 4.350 0.003 0.000 0.195 422 E C 1.844 178.378 176.600 -0.109 0.000 0.992 422 E CA 1.732 58.121 56.400 -0.018 0.000 0.804 422 E CB -0.316 29.371 29.700 -0.021 0.000 0.741 422 E HN 0.656 nan 8.360 nan 0.000 0.458 423 V N -1.902 117.826 119.914 -0.309 0.000 3.141 423 V HA -0.111 4.011 4.120 0.003 0.000 0.265 423 V C 1.526 177.338 176.094 -0.471 0.000 1.126 423 V CA 1.249 63.285 62.300 -0.439 0.000 1.141 423 V CB -0.765 30.713 31.823 -0.576 0.000 0.743 423 V HN 0.137 nan 8.190 nan 0.000 0.492 424 F N 1.524 121.471 119.950 -0.006 0.000 2.602 424 F HA 0.102 4.631 4.527 0.003 0.000 0.284 424 F C 2.643 178.448 175.800 0.009 0.000 1.111 424 F CA 0.815 58.800 58.000 -0.026 0.000 1.405 424 F CB -0.279 38.656 39.000 -0.108 0.000 1.121 424 F HN 0.223 nan 8.300 nan 0.000 0.603 425 T N -3.212 111.457 114.554 0.193 0.000 3.031 425 T HA 0.303 4.655 4.350 0.003 0.000 0.254 425 T C 1.976 176.867 174.700 0.317 0.000 1.060 425 T CA 0.792 63.025 62.100 0.222 0.000 1.135 425 T CB -0.106 68.854 68.868 0.153 0.000 0.896 425 T HN 0.405 nan 8.240 nan 0.000 0.472 426 G N 1.315 110.215 108.800 0.166 0.000 2.184 426 G HA2 -0.234 3.728 3.960 0.003 0.000 0.264 426 G HA3 -0.234 3.728 3.960 0.003 0.000 0.264 426 G C -0.150 174.740 174.900 -0.016 0.000 0.975 426 G CA 0.460 45.597 45.100 0.062 0.000 0.642 426 G HN 0.803 nan 8.290 nan 0.000 0.536 427 H N -1.059 118.018 119.070 0.012 0.000 2.472 427 H HA 0.645 5.203 4.556 0.003 0.000 0.338 427 H C 0.324 175.656 175.328 0.006 0.000 1.133 427 H CA -0.958 55.093 56.048 0.006 0.000 1.216 427 H CB 1.454 31.215 29.762 -0.003 0.000 1.497 427 H HN 0.184 nan 8.280 nan 0.000 0.500 428 L N 1.922 123.206 121.223 0.101 0.000 2.490 428 L HA 0.220 4.561 4.340 0.003 0.000 0.274 428 L C 0.990 177.912 176.870 0.087 0.000 1.201 428 L CA 0.461 55.341 54.840 0.066 0.000 0.869 428 L CB 0.271 42.351 42.059 0.035 0.000 1.123 428 L HN 0.867 nan 8.230 nan 0.000 0.484 429 G N 4.094 112.938 108.800 0.074 0.000 2.442 429 G HA2 0.313 4.275 3.960 0.003 0.000 0.249 429 G HA3 0.313 4.275 3.960 0.003 0.000 0.249 429 G C -0.537 174.402 174.900 0.065 0.000 1.263 429 G CA -0.534 44.620 45.100 0.089 0.000 0.846 429 G HN 0.486 nan 8.290 nan 0.000 0.555 430 K N 1.104 121.550 120.400 0.077 0.000 2.324 430 K HA 0.417 4.738 4.320 0.003 0.000 0.253 430 K C -1.163 175.464 176.600 0.045 0.000 0.932 430 K CA -0.725 55.592 56.287 0.050 0.000 0.799 430 K CB 2.798 35.321 32.500 0.039 0.000 1.154 430 K HN 0.395 nan 8.250 nan 0.000 0.425 431 L N 2.570 123.805 121.223 0.020 0.000 2.325 431 L HA 0.411 4.753 4.340 0.003 0.000 0.281 431 L C -1.154 175.721 176.870 0.010 0.000 1.004 431 L CA -0.871 53.973 54.840 0.006 0.000 0.823 431 L CB 1.484 43.539 42.059 -0.008 0.000 1.236 431 L HN 0.228 nan 8.230 nan 0.000 0.415 432 V N 6.446 126.364 119.914 0.008 0.000 2.347 432 V HA 0.418 4.539 4.120 0.003 0.000 0.280 432 V C -2.035 174.066 176.094 0.013 0.000 1.021 432 V CA -1.671 60.636 62.300 0.011 0.000 0.847 432 V CB 1.178 32.999 31.823 -0.004 0.000 0.990 432 V HN 0.683 nan 8.190 nan 0.000 0.444 433 P HA 0.094 nan 4.420 nan 0.000 0.270 433 P C 0.780 178.090 177.300 0.015 0.000 1.223 433 P CA -0.362 62.748 63.100 0.016 0.000 0.785 433 P CB 0.777 32.489 31.700 0.020 0.000 0.923 434 L N 2.507 123.733 121.223 0.004 0.000 1.989 434 L HA -0.198 4.143 4.340 0.003 0.000 0.211 434 L C 1.911 178.765 176.870 -0.026 0.000 1.071 434 L CA 2.052 56.878 54.840 -0.024 0.000 0.749 434 L CB -0.955 41.088 42.059 -0.028 0.000 0.890 434 L HN 0.215 nan 8.230 nan 0.000 0.431 435 K N -0.382 120.016 120.400 -0.004 0.000 2.103 435 K HA -0.176 4.146 4.320 0.003 0.000 0.207 435 K C 2.025 178.650 176.600 0.041 0.000 1.048 435 K CA 1.367 57.660 56.287 0.011 0.000 0.930 435 K CB -0.323 32.190 32.500 0.022 0.000 0.716 435 K HN 0.447 nan 8.250 nan 0.000 0.444 436 E N 0.251 120.482 120.200 0.052 0.000 2.106 436 E HA -0.088 4.263 4.350 0.003 0.000 0.192 436 E C 2.021 178.703 176.600 0.136 0.000 0.984 436 E CA 1.060 57.510 56.400 0.084 0.000 0.806 436 E CB -0.205 29.539 29.700 0.073 0.000 0.750 436 E HN 0.278 nan 8.360 nan 0.000 0.458 437 T N 1.661 116.290 114.554 0.124 0.000 2.701 437 T HA -0.085 4.267 4.350 0.003 0.000 0.263 437 T C 2.152 177.037 174.700 0.308 0.000 1.040 437 T CA 0.964 63.195 62.100 0.219 0.000 1.147 437 T CB -0.231 68.721 68.868 0.140 0.000 0.865 437 T HN 0.093 nan 8.240 nan 0.000 0.426 438 I N 0.930 121.579 120.570 0.131 0.000 2.091 438 I HA -0.256 3.916 4.170 0.003 0.000 0.239 438 I C 2.661 178.883 176.117 0.176 0.000 1.061 438 I CA 1.571 62.935 61.300 0.106 0.000 1.317 438 I CB -0.401 37.587 38.000 -0.020 0.000 1.031 438 I HN 0.190 nan 8.210 nan 0.000 0.401 439 K N 0.963 121.444 120.400 0.134 0.000 2.015 439 K HA -0.231 4.090 4.320 0.003 0.000 0.216 439 K C 2.138 178.826 176.600 0.148 0.000 1.052 439 K CA 2.092 58.453 56.287 0.124 0.000 0.937 439 K CB -0.664 31.893 32.500 0.096 0.000 0.719 439 K HN 0.441 nan 8.250 nan 0.000 0.446 440 G N 0.424 109.323 108.800 0.165 0.000 2.553 440 G HA2 -0.279 3.683 3.960 0.003 0.000 0.218 440 G HA3 -0.279 3.683 3.960 0.003 0.000 0.218 440 G C 1.380 176.274 174.900 -0.011 0.000 1.195 440 G CA 1.257 46.389 45.100 0.054 0.000 0.779 440 G HN 0.333 nan 8.290 nan 0.000 0.577 441 F N 0.521 120.607 119.950 0.228 0.000 2.186 441 F HA -0.012 4.516 4.527 0.003 0.000 0.299 441 F C 2.975 178.830 175.800 0.091 0.000 1.090 441 F CA 1.538 59.641 58.000 0.171 0.000 1.307 441 F CB -0.267 38.843 39.000 0.184 0.000 1.019 441 F HN 0.152 nan 8.300 nan 0.000 0.489 442 Q N 0.260 120.220 119.800 0.266 0.000 2.112 442 Q HA -0.294 4.048 4.340 0.003 0.000 0.206 442 Q C 2.132 178.200 176.000 0.113 0.000 0.987 442 Q CA 1.977 57.875 55.803 0.158 0.000 0.858 442 Q CB -0.120 28.695 28.738 0.128 0.000 0.905 442 Q HN 0.528 nan 8.270 nan 0.000 0.420 443 Q N -0.261 119.609 119.800 0.116 0.000 2.083 443 Q HA -0.112 4.230 4.340 0.003 0.000 0.198 443 Q C 2.120 178.178 176.000 0.096 0.000 0.969 443 Q CA 1.285 57.145 55.803 0.094 0.000 0.838 443 Q CB -0.005 28.841 28.738 0.179 0.000 0.900 443 Q HN 0.467 nan 8.270 nan 0.000 0.436 444 I N 0.589 121.233 120.570 0.123 0.000 2.361 444 I HA -0.271 3.901 4.170 0.003 0.000 0.251 444 I C 2.069 178.202 176.117 0.028 0.000 1.133 444 I CA 0.952 62.294 61.300 0.070 0.000 1.413 444 I CB -0.208 37.737 38.000 -0.092 0.000 1.073 444 I HN 0.196 nan 8.210 nan 0.000 0.424 445 L N 0.596 121.854 121.223 0.059 0.000 2.093 445 L HA -0.128 4.213 4.340 0.003 0.000 0.208 445 L C 2.586 179.470 176.870 0.023 0.000 1.085 445 L CA 1.091 55.958 54.840 0.045 0.000 0.755 445 L CB -0.476 41.624 42.059 0.069 0.000 0.904 445 L HN 0.228 nan 8.230 nan 0.000 0.435 446 A N -0.786 122.046 122.820 0.020 0.000 2.235 446 A HA 0.254 4.576 4.320 0.003 0.000 0.208 446 A C 1.733 179.308 177.584 -0.016 0.000 1.172 446 A CA 0.824 52.862 52.037 0.002 0.000 0.786 446 A CB -0.401 18.598 19.000 -0.001 0.000 0.804 446 A HN 0.538 nan 8.150 nan 0.000 0.479 447 G N -0.773 108.017 108.800 -0.017 0.000 2.176 447 G HA2 -0.261 3.701 3.960 0.003 0.000 0.232 447 G HA3 -0.261 3.701 3.960 0.003 0.000 0.232 447 G C 0.565 175.438 174.900 -0.044 0.000 0.986 447 G CA 0.479 45.567 45.100 -0.020 0.000 0.643 447 G HN 0.550 nan 8.290 nan 0.000 0.522 448 E N -0.911 119.216 120.200 -0.122 0.000 2.331 448 E HA -0.064 4.287 4.350 0.003 0.000 0.199 448 E C 0.763 177.079 176.600 -0.473 0.000 1.008 448 E CA 1.042 57.247 56.400 -0.326 0.000 0.843 448 E CB -0.100 29.295 29.700 -0.508 0.000 0.761 448 E HN 0.789 nan 8.360 nan 0.000 0.507 449 Y N -0.585 119.729 120.300 0.023 0.000 2.715 449 Y HA 0.125 4.676 4.550 0.003 0.000 0.255 449 Y C 0.757 176.579 175.900 -0.131 0.000 1.139 449 Y CA -0.615 57.420 58.100 -0.107 0.000 1.151 449 Y CB 0.714 39.207 38.460 0.054 0.000 1.201 449 Y HN -0.102 nan 8.280 nan 0.000 0.556 450 D N 0.165 120.606 120.400 0.068 0.000 2.263 450 D HA -0.180 4.462 4.640 0.003 0.000 0.208 450 D C 1.984 178.331 176.300 0.079 0.000 0.971 450 D CA 1.407 55.442 54.000 0.058 0.000 0.867 450 D CB -0.046 40.789 40.800 0.057 0.000 0.929 450 D HN 0.648 nan 8.370 nan 0.000 0.492 451 H N -0.116 119.011 119.070 0.094 0.000 2.436 451 H HA 0.054 4.611 4.556 0.003 0.000 0.294 451 H C 1.055 176.445 175.328 0.103 0.000 1.048 451 H CA 0.085 56.180 56.048 0.077 0.000 1.353 451 H CB -0.444 29.350 29.762 0.052 0.000 1.414 451 H HN 0.089 nan 8.280 nan 0.000 0.536 452 L N 3.757 124.803 121.223 -0.294 0.000 2.426 452 L HA 0.186 4.528 4.340 0.003 0.000 0.271 452 L C -1.887 175.032 176.870 0.082 0.000 1.169 452 L CA -1.784 52.987 54.840 -0.115 0.000 0.836 452 L CB 0.611 42.538 42.059 -0.219 0.000 1.112 452 L HN 0.126 nan 8.230 nan 0.000 0.465 453 P HA 0.082 nan 4.420 nan 0.000 0.274 453 P C 0.285 177.712 177.300 0.211 0.000 1.237 453 P CA -0.405 62.754 63.100 0.098 0.000 0.793 453 P CB 1.098 32.826 31.700 0.047 0.000 0.977 454 E N 0.515 120.821 120.200 0.177 0.000 2.068 454 E HA -0.272 4.080 4.350 0.003 0.000 0.207 454 E C 1.802 178.574 176.600 0.286 0.000 1.032 454 E CA 1.586 58.111 56.400 0.208 0.000 0.839 454 E CB -0.088 29.654 29.700 0.069 0.000 0.758 454 E HN 0.398 nan 8.360 nan 0.000 0.457 455 Q N -0.725 119.168 119.800 0.155 0.000 2.364 455 Q HA -0.094 4.247 4.340 0.003 0.000 0.209 455 Q C 1.873 177.959 176.000 0.143 0.000 0.977 455 Q CA 0.992 56.883 55.803 0.147 0.000 0.885 455 Q CB -0.098 28.688 28.738 0.080 0.000 0.941 455 Q HN 0.326 nan 8.270 nan 0.000 0.464 456 A N -0.329 122.510 122.820 0.032 0.000 1.972 456 A HA -0.115 4.206 4.320 0.003 0.000 0.219 456 A C 1.547 178.980 177.584 -0.252 0.000 1.169 456 A CA 0.920 52.847 52.037 -0.183 0.000 0.635 456 A CB -0.556 18.196 19.000 -0.413 0.000 0.810 456 A HN 0.296 nan 8.150 nan 0.000 0.446 457 F N -2.492 117.463 119.950 0.007 0.000 2.664 457 F HA 0.159 4.687 4.527 0.003 0.000 0.296 457 F C 0.845 176.735 175.800 0.150 0.000 1.125 457 F CA -0.186 57.841 58.000 0.045 0.000 1.444 457 F CB -0.306 38.692 39.000 -0.003 0.000 1.114 457 F HN 0.280 nan 8.300 nan 0.000 0.576 458 Y N 1.410 121.815 120.300 0.176 0.000 2.377 458 Y HA 0.297 4.848 4.550 0.003 0.000 0.330 458 Y C 0.745 176.668 175.900 0.038 0.000 1.108 458 Y CA -1.568 56.591 58.100 0.099 0.000 1.308 458 Y CB 0.356 38.857 38.460 0.068 0.000 1.216 458 Y HN 0.141 nan 8.280 nan 0.000 0.518 459 M N 5.036 124.204 119.600 -0.719 0.000 2.399 459 M HA -0.152 4.330 4.480 0.003 0.000 0.191 459 M C -1.766 174.348 176.300 -0.310 0.000 0.732 459 M CA 1.169 56.035 55.300 -0.724 0.000 0.512 459 M CB -1.589 30.300 32.600 -1.185 0.000 1.191 459 M HN 0.478 nan 8.290 nan 0.000 0.894 460 V N -2.166 117.656 119.914 -0.154 0.000 3.160 460 V HA 1.088 5.209 4.120 0.003 0.000 0.310 460 V C 0.797 176.861 176.094 -0.050 0.000 1.181 460 V CA -0.360 61.913 62.300 -0.045 0.000 1.047 460 V CB 1.395 33.234 31.823 0.026 0.000 1.068 460 V HN 0.475 nan 8.190 nan 0.000 0.441 461 G N 0.333 109.129 108.800 -0.007 0.000 3.142 461 G HA2 0.432 4.393 3.960 0.003 0.000 0.178 461 G HA3 0.432 4.393 3.960 0.003 0.000 0.178 461 G C -2.145 172.767 174.900 0.020 0.000 1.941 461 G CA -0.190 44.900 45.100 -0.017 0.000 0.902 461 G HN 0.775 nan 8.290 nan 0.000 0.517 462 P HA 0.141 nan 4.420 nan 0.000 0.273 462 P C 0.672 178.112 177.300 0.234 0.000 1.250 462 P CA -0.518 62.682 63.100 0.167 0.000 0.793 462 P CB 1.396 33.149 31.700 0.087 0.000 1.011 463 I N 0.762 121.449 120.570 0.195 0.000 2.454 463 I HA -0.237 3.935 4.170 0.003 0.000 0.254 463 I C 1.843 177.824 176.117 -0.227 0.000 1.156 463 I CA 1.706 62.889 61.300 -0.195 0.000 1.433 463 I CB -0.674 37.109 38.000 -0.363 0.000 1.082 463 I HN 0.275 nan 8.210 nan 0.000 0.432 464 E N 0.327 120.476 120.200 -0.084 0.000 2.204 464 E HA -0.215 4.137 4.350 0.003 0.000 0.195 464 E C 2.028 178.572 176.600 -0.094 0.000 0.990 464 E CA 1.198 57.553 56.400 -0.075 0.000 0.821 464 E CB -0.178 29.512 29.700 -0.017 0.000 0.750 464 E HN 0.568 nan 8.360 nan 0.000 0.477 465 E N -0.145 120.014 120.200 -0.069 0.000 2.216 465 E HA -0.041 4.310 4.350 0.003 0.000 0.192 465 E C 1.896 178.414 176.600 -0.136 0.000 0.988 465 E CA 0.621 56.982 56.400 -0.064 0.000 0.834 465 E CB 0.010 29.705 29.700 -0.010 0.000 0.772 465 E HN 0.276 nan 8.360 nan 0.000 0.479 466 A N 0.666 123.339 122.820 -0.246 0.000 1.968 466 A HA -0.097 4.225 4.320 0.003 0.000 0.217 466 A C 2.373 179.648 177.584 -0.515 0.000 1.169 466 A CA 0.798 52.544 52.037 -0.485 0.000 0.638 466 A CB -0.283 18.208 19.000 -0.847 0.000 0.812 466 A HN 0.096 nan 8.150 nan 0.000 0.446 467 V N -0.216 119.460 119.914 -0.397 0.000 2.323 467 V HA -0.180 3.941 4.120 0.003 0.000 0.244 467 V C 3.045 179.054 176.094 -0.142 0.000 1.041 467 V CA 1.742 63.894 62.300 -0.247 0.000 1.025 467 V CB -1.195 30.550 31.823 -0.130 0.000 0.656 467 V HN 0.583 nan 8.190 nan 0.000 0.451 468 A N -0.062 122.690 122.820 -0.113 0.000 1.883 468 A HA -0.288 4.033 4.320 0.003 0.000 0.217 468 A C 2.339 179.882 177.584 -0.067 0.000 1.186 468 A CA 2.323 54.320 52.037 -0.067 0.000 0.624 468 A CB -0.526 18.446 19.000 -0.048 0.000 0.822 468 A HN 0.506 nan 8.150 nan 0.000 0.444 469 K N -0.429 119.916 120.400 -0.091 0.000 2.147 469 K HA -0.061 4.260 4.320 0.003 0.000 0.205 469 K C 2.084 178.637 176.600 -0.078 0.000 1.049 469 K CA 1.089 57.333 56.287 -0.071 0.000 0.936 469 K CB -0.293 32.163 32.500 -0.073 0.000 0.722 469 K HN 0.391 nan 8.250 nan 0.000 0.446 470 A N 1.360 124.104 122.820 -0.126 0.000 1.933 470 A HA -0.174 4.148 4.320 0.003 0.000 0.218 470 A C 1.518 179.076 177.584 -0.043 0.000 1.175 470 A CA 1.927 53.903 52.037 -0.102 0.000 0.628 470 A CB -0.418 18.492 19.000 -0.150 0.000 0.814 470 A HN 0.347 nan 8.150 nan 0.000 0.444 471 D N -0.468 119.911 120.400 -0.036 0.000 2.117 471 D HA -0.108 4.534 4.640 0.003 0.000 0.198 471 D C 1.874 178.167 176.300 -0.011 0.000 0.982 471 D CA 1.212 55.204 54.000 -0.014 0.000 0.828 471 D CB -0.223 40.570 40.800 -0.011 0.000 0.967 471 D HN 0.448 nan 8.370 nan 0.000 0.464 472 K N 0.383 120.773 120.400 -0.016 0.000 2.211 472 K HA -0.013 4.308 4.320 0.003 0.000 0.203 472 K C 1.995 178.593 176.600 -0.003 0.000 1.050 472 K CA 0.373 56.655 56.287 -0.009 0.000 0.945 472 K CB -0.026 32.468 32.500 -0.009 0.000 0.732 472 K HN 0.170 nan 8.250 nan 0.000 0.451 473 L N 0.065 121.286 121.223 -0.004 0.000 2.313 473 L HA -0.049 4.293 4.340 0.003 0.000 0.214 473 L C 2.386 179.260 176.870 0.006 0.000 1.119 473 L CA 0.569 55.411 54.840 0.004 0.000 0.809 473 L CB -0.255 41.806 42.059 0.003 0.000 0.933 473 L HN 0.167 nan 8.230 nan 0.000 0.449 474 A N -0.399 122.424 122.820 0.004 0.000 1.873 474 A HA -0.117 4.205 4.320 0.003 0.000 0.215 474 A C 1.070 178.658 177.584 0.007 0.000 1.186 474 A CA 1.495 53.536 52.037 0.008 0.000 0.616 474 A CB -0.021 18.985 19.000 0.010 0.000 0.823 474 A HN 0.391 nan 8.150 nan 0.000 0.442 475 E N 0.000 120.203 120.200 0.005 0.000 2.725 475 E HA 0.000 4.352 4.350 0.003 0.000 0.291 475 E CA 0.000 56.403 56.400 0.004 0.000 0.976 475 E CB 0.000 29.703 29.700 0.004 0.000 0.812 475 E HN 0.000 nan 8.360 nan 0.000 0.440