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 1w0j_1_E DATA FIRST_RESID 9 DATA SEQUENCE TTGRIVAVIG AVVDVQFDEG LPPILNALEV QGRETRLVLE VAQHLGESTV DATA SEQUENCE RTIAMDGTEG LVRGQKVLDS GAPIRIPVGP ETLGRIMNVI GEPIDERGPI DATA SEQUENCE KTKQFAAIHA EAPEFVEMSV EQEILVTGIK VVDLLAPYAK GGKIGLFGGA DATA SEQUENCE GVGKTVLIME LINNVAKAHG GYSVFAGVGE RTREGNDLYH EMIESGVINL DATA SEQUENCE KDATSKVALV YGQMNEPPGA RARVALTGLT VAEYFRDQEG QDVLLFIDNI DATA SEQUENCE FRFTQAGSEV SALLGRIPSA VGYQPTLATD MGTMQERITT TKKGSITSVQ DATA SEQUENCE AIYVPADDLT DPAPATTFAH LDATTVLSRA IAELGIYPAV DPLDSTSRIM DATA SEQUENCE DPNIVGSEHY DVARGVQKIL QDYKSLQDII AILGMDELSE EDKLTVSRAR DATA SEQUENCE KIQRFLSQPF QVAEVFTGHL GKLVPLKETI KGFQQILAGE YDHLPEQAFY DATA SEQUENCE MVGPIEEAVA KADKLA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.839 174.700 0.232 0.000 1.109 9 T CA 0.000 62.193 62.100 0.155 0.000 1.349 9 T CB 0.000 68.975 68.868 0.178 0.000 0.612 10 T N 1.184 115.826 114.554 0.145 0.000 2.809 10 T HA 0.739 5.089 4.350 -0.000 0.000 0.284 10 T C 0.436 174.931 174.700 -0.342 0.000 0.992 10 T CA -0.238 61.846 62.100 -0.026 0.000 0.957 10 T CB 1.131 69.977 68.868 -0.037 0.000 0.942 10 T HN 1.073 nan 8.240 nan 0.000 0.439 11 G N 2.524 110.795 108.800 -0.882 0.000 2.509 11 G HA2 0.726 4.686 3.960 -0.000 0.000 0.328 11 G HA3 0.726 4.686 3.960 -0.000 0.000 0.328 11 G C -0.947 173.592 174.900 -0.602 0.000 1.194 11 G CA -0.875 43.421 45.100 -1.340 0.000 0.967 11 G HN 0.604 nan 8.290 nan 0.000 0.488 12 R N -0.388 119.847 120.500 -0.440 0.000 2.562 12 R HA 0.398 4.738 4.340 -0.000 0.000 0.298 12 R C -0.234 175.967 176.300 -0.165 0.000 0.961 12 R CA -0.727 55.235 56.100 -0.229 0.000 0.881 12 R CB 2.363 32.569 30.300 -0.157 0.000 1.159 12 R HN 0.376 nan 8.270 nan 0.000 0.450 13 I N 3.313 123.819 120.570 -0.107 0.000 2.598 13 I HA -0.083 4.087 4.170 -0.000 0.000 0.284 13 I C 1.411 177.500 176.117 -0.047 0.000 1.140 13 I CA 0.203 61.467 61.300 -0.060 0.000 1.420 13 I CB 0.866 38.842 38.000 -0.040 0.000 1.387 13 I HN 0.591 nan 8.210 nan 0.000 0.553 14 V N 3.004 122.900 119.914 -0.030 0.000 3.645 14 V HA 0.570 4.690 4.120 -0.000 0.000 0.275 14 V C 0.526 176.613 176.094 -0.011 0.000 1.356 14 V CA 0.293 62.580 62.300 -0.021 0.000 1.051 14 V CB 0.332 32.144 31.823 -0.018 0.000 0.828 14 V HN 0.711 nan 8.190 nan 0.000 0.441 15 A N 0.084 122.901 122.820 -0.006 0.000 2.488 15 A HA 0.808 5.128 4.320 -0.000 0.000 0.298 15 A C -1.182 176.402 177.584 0.000 0.000 1.044 15 A CA -0.394 51.642 52.037 -0.002 0.000 0.693 15 A CB 2.176 21.178 19.000 0.003 0.000 1.272 15 A HN 0.560 nan 8.150 nan 0.000 0.402 16 V N 2.930 122.843 119.914 -0.001 0.000 2.443 16 V HA 0.520 4.640 4.120 -0.000 0.000 0.293 16 V C -0.601 175.493 176.094 -0.000 0.000 1.021 16 V CA -0.089 62.211 62.300 -0.000 0.000 0.848 16 V CB 1.219 33.040 31.823 -0.002 0.000 0.998 16 V HN 0.722 nan 8.190 nan 0.000 0.424 17 I N 4.638 125.209 120.570 0.001 0.000 2.623 17 I HA 0.584 4.754 4.170 -0.000 0.000 0.275 17 I C 1.011 177.128 176.117 -0.000 0.000 1.108 17 I CA -0.010 61.290 61.300 0.000 0.000 1.120 17 I CB 1.161 39.161 38.000 0.001 0.000 1.249 17 I HN 0.872 nan 8.210 nan 0.000 0.500 18 G N 4.309 113.108 108.800 -0.001 0.000 2.591 18 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.298 18 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.298 18 G C 0.819 175.719 174.900 -0.000 0.000 1.195 18 G CA 0.391 45.490 45.100 -0.002 0.000 0.989 18 G HN 0.780 nan 8.290 nan 0.000 0.551 19 A N -0.563 122.257 122.820 -0.001 0.000 2.259 19 A HA 0.560 4.880 4.320 -0.000 0.000 0.208 19 A C 0.723 178.309 177.584 0.004 0.000 1.201 19 A CA 1.542 53.580 52.037 0.001 0.000 0.824 19 A CB -0.159 18.840 19.000 -0.002 0.000 0.838 19 A HN 1.494 nan 8.150 nan 0.000 0.485 20 V N 0.754 120.671 119.914 0.005 0.000 2.409 20 V HA 0.426 4.546 4.120 -0.000 0.000 0.291 20 V C -0.707 175.393 176.094 0.011 0.000 1.020 20 V CA -0.556 61.749 62.300 0.009 0.000 0.848 20 V CB 1.544 33.370 31.823 0.007 0.000 0.990 20 V HN 0.056 nan 8.190 nan 0.000 0.430 21 V N 3.419 123.344 119.914 0.018 0.000 2.487 21 V HA 0.495 4.615 4.120 -0.000 0.000 0.298 21 V C -0.837 175.275 176.094 0.030 0.000 1.028 21 V CA -0.748 61.563 62.300 0.019 0.000 0.860 21 V CB 2.005 33.840 31.823 0.020 0.000 0.991 21 V HN 0.778 nan 8.190 nan 0.000 0.427 22 D N 3.292 123.707 120.400 0.025 0.000 2.225 22 D HA 0.561 5.201 4.640 -0.000 0.000 0.248 22 D C -0.497 175.823 176.300 0.033 0.000 1.096 22 D CA -0.013 54.008 54.000 0.034 0.000 0.863 22 D CB 2.173 42.987 40.800 0.024 0.000 1.156 22 D HN 0.293 nan 8.370 nan 0.000 0.450 23 V N 2.518 122.473 119.914 0.068 0.000 2.483 23 V HA 0.271 4.391 4.120 -0.000 0.000 0.297 23 V C -0.064 176.088 176.094 0.097 0.000 1.027 23 V CA -0.910 61.424 62.300 0.056 0.000 0.855 23 V CB 1.796 33.694 31.823 0.124 0.000 0.995 23 V HN 0.391 nan 8.190 nan 0.000 0.424 24 Q N 3.161 122.945 119.800 -0.027 0.000 2.278 24 Q HA 0.586 4.926 4.340 -0.000 0.000 0.257 24 Q C -1.758 174.170 176.000 -0.120 0.000 0.928 24 Q CA -0.404 55.401 55.803 0.004 0.000 0.932 24 Q CB 1.080 29.802 28.738 -0.027 0.000 1.221 24 Q HN 0.625 nan 8.270 nan 0.000 0.434 25 F N 2.427 122.347 119.950 -0.049 0.000 2.458 25 F HA 0.220 4.747 4.527 -0.000 0.000 0.336 25 F C 0.768 176.544 175.800 -0.039 0.000 1.114 25 F CA -0.739 57.234 58.000 -0.044 0.000 0.987 25 F CB 1.662 40.628 39.000 -0.056 0.000 1.130 25 F HN 0.637 nan 8.300 nan 0.000 0.458 26 D N 1.106 121.563 120.400 0.095 0.000 2.183 26 D HA -0.074 4.566 4.640 -0.000 0.000 0.203 26 D C 1.209 177.550 176.300 0.068 0.000 0.969 26 D CA 1.324 55.356 54.000 0.054 0.000 0.842 26 D CB 0.455 41.264 40.800 0.015 0.000 0.957 26 D HN 0.506 nan 8.370 nan 0.000 0.484 27 E N -0.106 120.156 120.200 0.102 0.000 3.868 27 E HA 0.333 4.683 4.350 -0.000 0.000 0.331 27 E C 0.805 177.435 176.600 0.050 0.000 0.699 27 E CA -0.303 56.138 56.400 0.067 0.000 1.672 27 E CB -0.843 28.892 29.700 0.059 0.000 2.271 27 E HN -0.020 nan 8.360 nan 0.000 0.482 28 G N 1.419 110.236 108.800 0.027 0.000 2.403 28 G HA2 0.403 4.363 3.960 -0.000 0.000 0.259 28 G HA3 0.403 4.363 3.960 -0.000 0.000 0.259 28 G C -0.104 174.724 174.900 -0.121 0.000 1.244 28 G CA -0.315 44.767 45.100 -0.029 0.000 0.849 28 G HN 0.044 nan 8.290 nan 0.000 0.532 29 L N 3.845 124.957 121.223 -0.184 0.000 2.380 29 L HA 0.252 4.592 4.340 -0.000 0.000 0.273 29 L C -1.512 175.140 176.870 -0.364 0.000 1.138 29 L CA -1.643 52.967 54.840 -0.385 0.000 0.832 29 L CB 1.450 43.238 42.059 -0.452 0.000 1.124 29 L HN 0.376 nan 8.230 nan 0.000 0.454 30 P HA 0.142 nan 4.420 nan 0.000 0.271 30 P C -2.528 174.746 177.300 -0.044 0.000 1.233 30 P CA -1.223 61.686 63.100 -0.319 0.000 0.764 30 P CB 0.130 31.568 31.700 -0.436 0.000 0.825 31 P HA 0.105 nan 4.420 nan 0.000 0.270 31 P C 0.530 177.841 177.300 0.018 0.000 1.223 31 P CA -0.143 62.998 63.100 0.069 0.000 0.785 31 P CB 0.784 32.475 31.700 -0.014 0.000 0.923 32 I N 2.192 122.700 120.570 -0.102 0.000 2.826 32 I HA -0.168 4.002 4.170 -0.000 0.000 0.295 32 I C 1.603 177.649 176.117 -0.118 0.000 1.213 32 I CA 0.833 62.062 61.300 -0.118 0.000 1.436 32 I CB -0.407 37.474 38.000 -0.198 0.000 1.348 32 I HN 0.428 nan 8.210 nan 0.000 0.570 33 L N 2.274 123.426 121.223 -0.119 0.000 4.586 33 L HA -0.230 4.110 4.340 -0.000 0.000 0.401 33 L C 0.115 176.947 176.870 -0.065 0.000 0.854 33 L CA -0.026 54.706 54.840 -0.179 0.000 1.918 33 L CB -1.522 40.320 42.059 -0.361 0.000 1.631 33 L HN 0.694 nan 8.230 nan 0.000 0.579 34 N N 1.179 119.861 118.700 -0.031 0.000 2.479 34 N HA 0.471 5.211 4.740 -0.000 0.000 0.257 34 N C 0.317 175.840 175.510 0.023 0.000 1.232 34 N CA 0.901 53.950 53.050 -0.001 0.000 0.920 34 N CB 0.943 39.417 38.487 -0.022 0.000 1.105 34 N HN 0.298 nan 8.380 nan 0.000 0.444 35 A N 2.615 125.456 122.820 0.036 0.000 2.328 35 A HA 0.494 4.814 4.320 -0.000 0.000 0.284 35 A C -0.340 177.272 177.584 0.047 0.000 1.160 35 A CA -0.447 51.615 52.037 0.042 0.000 0.818 35 A CB -0.029 18.992 19.000 0.035 0.000 1.087 35 A HN 0.613 nan 8.150 nan 0.000 0.504 36 L N 2.309 123.568 121.223 0.060 0.000 2.334 36 L HA 0.488 4.828 4.340 -0.000 0.000 0.276 36 L C -0.244 176.665 176.870 0.065 0.000 1.014 36 L CA -0.694 54.200 54.840 0.089 0.000 0.815 36 L CB 1.726 43.866 42.059 0.135 0.000 1.268 36 L HN 0.623 nan 8.230 nan 0.000 0.428 37 E N 2.860 123.098 120.200 0.063 0.000 2.113 37 E HA 0.304 4.654 4.350 -0.000 0.000 0.273 37 E C -0.817 175.801 176.600 0.031 0.000 0.924 37 E CA -0.563 55.860 56.400 0.038 0.000 0.764 37 E CB 2.631 32.350 29.700 0.032 0.000 1.104 37 E HN 0.210 nan 8.360 nan 0.000 0.406 38 V N 3.912 123.838 119.914 0.020 0.000 2.530 38 V HA 0.027 4.147 4.120 -0.000 0.000 0.282 38 V C 0.559 176.654 176.094 0.002 0.000 1.048 38 V CA -0.435 61.869 62.300 0.008 0.000 0.997 38 V CB 1.005 32.831 31.823 0.005 0.000 0.987 38 V HN 0.486 nan 8.190 nan 0.000 0.477 39 Q N 2.206 122.002 119.800 -0.006 0.000 2.221 39 Q HA 0.502 4.842 4.340 -0.000 0.000 0.242 39 Q C 0.981 176.975 176.000 -0.010 0.000 0.940 39 Q CA 0.332 56.131 55.803 -0.007 0.000 0.896 39 Q CB 1.367 30.098 28.738 -0.013 0.000 1.226 39 Q HN 1.160 nan 8.270 nan 0.000 0.463 40 G N 1.680 110.476 108.800 -0.007 0.000 2.248 40 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.263 40 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.263 40 G C -0.191 174.705 174.900 -0.006 0.000 1.082 40 G CA 0.089 45.184 45.100 -0.008 0.000 0.863 40 G HN 0.401 nan 8.290 nan 0.000 0.495 41 R N -0.951 119.546 120.500 -0.004 0.000 2.725 41 R HA 0.394 4.734 4.340 -0.000 0.000 0.277 41 R C 0.855 177.154 176.300 -0.002 0.000 0.987 41 R CA -0.964 55.133 56.100 -0.003 0.000 0.901 41 R CB 1.170 31.469 30.300 -0.003 0.000 1.207 41 R HN 0.089 nan 8.270 nan 0.000 0.463 42 E N 0.720 120.919 120.200 -0.002 0.000 2.023 42 E HA -0.106 4.244 4.350 -0.000 0.000 0.196 42 E C 0.665 177.264 176.600 -0.002 0.000 1.003 42 E CA 1.812 58.211 56.400 -0.002 0.000 0.809 42 E CB 0.019 29.718 29.700 -0.001 0.000 0.755 42 E HN 0.676 nan 8.360 nan 0.000 0.449 43 T N -1.241 113.311 114.554 -0.002 0.000 2.950 43 T HA 0.501 4.851 4.350 -0.000 0.000 0.288 43 T C 0.164 174.862 174.700 -0.004 0.000 1.035 43 T CA -0.884 61.214 62.100 -0.003 0.000 1.028 43 T CB 2.174 71.040 68.868 -0.003 0.000 1.109 43 T HN -0.138 nan 8.240 nan 0.000 0.514 44 R N 0.770 121.266 120.500 -0.006 0.000 2.351 44 R HA 0.289 4.628 4.340 -0.000 0.000 0.318 44 R C -0.934 175.363 176.300 -0.004 0.000 1.055 44 R CA -0.559 55.537 56.100 -0.007 0.000 0.968 44 R CB -0.091 30.201 30.300 -0.013 0.000 0.974 44 R HN 0.462 nan 8.270 nan 0.000 0.439 45 L N 6.197 127.420 121.223 -0.000 0.000 2.264 45 L HA 0.295 4.635 4.340 -0.000 0.000 0.287 45 L C -1.035 175.840 176.870 0.008 0.000 1.039 45 L CA -0.309 54.532 54.840 0.003 0.000 0.829 45 L CB 1.509 43.570 42.059 0.004 0.000 1.211 45 L HN 0.264 nan 8.230 nan 0.000 0.427 46 V N 6.501 126.420 119.914 0.009 0.000 2.427 46 V HA 0.443 4.563 4.120 -0.000 0.000 0.286 46 V C 0.078 176.187 176.094 0.024 0.000 1.034 46 V CA -0.561 61.749 62.300 0.016 0.000 0.893 46 V CB 1.622 33.449 31.823 0.008 0.000 0.982 46 V HN 0.565 nan 8.190 nan 0.000 0.452 47 L N 4.235 125.480 121.223 0.036 0.000 2.333 47 L HA 0.581 4.921 4.340 -0.000 0.000 0.280 47 L C 0.023 176.922 176.870 0.048 0.000 1.004 47 L CA -0.361 54.504 54.840 0.042 0.000 0.820 47 L CB 1.837 43.927 42.059 0.053 0.000 1.247 47 L HN 0.613 nan 8.230 nan 0.000 0.416 48 E N 2.426 122.652 120.200 0.044 0.000 2.146 48 E HA 0.297 4.647 4.350 -0.000 0.000 0.282 48 E C -0.844 175.775 176.600 0.032 0.000 0.989 48 E CA -0.742 55.684 56.400 0.044 0.000 0.799 48 E CB 1.720 31.456 29.700 0.059 0.000 1.088 48 E HN 0.322 nan 8.360 nan 0.000 0.397 49 V N 3.966 123.895 119.914 0.025 0.000 2.599 49 V HA 0.024 4.144 4.120 -0.000 0.000 0.300 49 V C 0.909 177.004 176.094 0.002 0.000 1.034 49 V CA 1.017 63.334 62.300 0.029 0.000 1.115 49 V CB 0.927 32.773 31.823 0.038 0.000 0.934 49 V HN 0.892 nan 8.190 nan 0.000 0.485 50 A N 4.053 126.883 122.820 0.017 0.000 2.026 50 A HA 0.364 4.684 4.320 -0.000 0.000 0.198 50 A C 0.628 178.205 177.584 -0.010 0.000 1.390 50 A CA 0.129 52.160 52.037 -0.009 0.000 0.915 50 A CB 0.432 19.431 19.000 -0.002 0.000 0.974 50 A HN 0.776 nan 8.150 nan 0.000 0.477 51 Q N -0.955 118.868 119.800 0.039 0.000 2.462 51 Q HA 0.418 4.758 4.340 -0.000 0.000 0.285 51 Q C -1.661 174.459 176.000 0.199 0.000 1.035 51 Q CA -0.583 55.250 55.803 0.050 0.000 0.799 51 Q CB 1.797 30.555 28.738 0.035 0.000 1.452 51 Q HN 0.596 nan 8.270 nan 0.000 0.404 52 H N 1.566 120.626 119.070 -0.018 0.000 2.597 52 H HA 0.253 4.809 4.556 -0.000 0.000 0.303 52 H C 0.383 175.709 175.328 -0.003 0.000 1.057 52 H CA -0.350 55.691 56.048 -0.012 0.000 1.261 52 H CB 1.054 30.803 29.762 -0.022 0.000 1.397 52 H HN 0.427 nan 8.280 nan 0.000 0.461 53 L N 2.955 124.241 121.223 0.105 0.000 2.554 53 L HA 0.158 4.498 4.340 -0.000 0.000 0.226 53 L C 1.247 178.145 176.870 0.046 0.000 1.137 53 L CA 0.380 55.256 54.840 0.060 0.000 0.863 53 L CB -0.213 41.871 42.059 0.042 0.000 0.985 53 L HN 0.902 nan 8.230 nan 0.000 0.451 54 G N 0.408 109.236 108.800 0.048 0.000 2.756 54 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.678 54 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.678 54 G C 0.077 174.985 174.900 0.014 0.000 1.349 54 G CA -0.360 44.758 45.100 0.029 0.000 0.847 54 G HN 0.380 nan 8.290 nan 0.000 0.548 55 E N -1.047 119.159 120.200 0.010 0.000 2.440 55 E HA -0.228 4.122 4.350 -0.000 0.000 0.246 55 E C 1.075 177.679 176.600 0.006 0.000 1.165 55 E CA 1.123 57.528 56.400 0.007 0.000 0.726 55 E CB -1.528 28.177 29.700 0.009 0.000 1.271 55 E HN 1.977 nan 8.360 nan 0.000 0.397 56 S N -2.244 113.452 115.700 -0.006 0.000 3.261 56 S HA -0.198 4.272 4.470 -0.000 0.000 0.287 56 S C 0.267 174.878 174.600 0.018 0.000 1.281 56 S CA 1.548 59.744 58.200 -0.006 0.000 1.053 56 S CB -0.837 62.377 63.200 0.023 0.000 1.251 56 S HN 0.471 nan 8.310 nan 0.000 0.659 57 T N 1.670 116.228 114.554 0.006 0.000 2.859 57 T HA 0.635 4.985 4.350 -0.000 0.000 0.281 57 T C 0.312 175.017 174.700 0.009 0.000 1.005 57 T CA -0.199 61.922 62.100 0.035 0.000 1.025 57 T CB 1.790 70.676 68.868 0.030 0.000 0.977 57 T HN 0.500 nan 8.240 nan 0.000 0.458 58 V N 1.039 120.984 119.914 0.051 0.000 2.815 58 V HA 0.767 4.887 4.120 -0.000 0.000 0.314 58 V C -0.347 175.794 176.094 0.078 0.000 1.064 58 V CA -1.442 60.892 62.300 0.058 0.000 0.952 58 V CB 1.758 33.606 31.823 0.042 0.000 1.020 58 V HN 0.840 nan 8.190 nan 0.000 0.439 59 R N 1.799 122.345 120.500 0.077 0.000 2.393 59 R HA 0.740 5.080 4.340 -0.000 0.000 0.310 59 R C -0.307 176.026 176.300 0.055 0.000 0.968 59 R CA 0.248 56.382 56.100 0.056 0.000 0.867 59 R CB 1.590 31.915 30.300 0.042 0.000 1.124 59 R HN 1.166 nan 8.270 nan 0.000 0.450 60 T N 2.392 116.975 114.554 0.048 0.000 2.907 60 T HA 0.480 4.830 4.350 -0.000 0.000 0.292 60 T C 0.216 174.933 174.700 0.029 0.000 1.043 60 T CA -1.016 61.111 62.100 0.044 0.000 1.003 60 T CB 1.122 70.025 68.868 0.058 0.000 1.084 60 T HN 0.602 nan 8.240 nan 0.000 0.483 61 I N 0.441 121.026 120.570 0.025 0.000 2.359 61 I HA 0.801 4.971 4.170 -0.000 0.000 0.294 61 I C 0.155 176.285 176.117 0.022 0.000 0.987 61 I CA -1.279 60.032 61.300 0.018 0.000 1.225 61 I CB 1.060 39.067 38.000 0.013 0.000 1.366 61 I HN 0.868 nan 8.210 nan 0.000 0.466 62 A N 7.149 129.979 122.820 0.016 0.000 2.363 62 A HA 0.477 4.797 4.320 -0.000 0.000 0.270 62 A C 0.795 178.386 177.584 0.013 0.000 1.121 62 A CA -0.663 51.383 52.037 0.015 0.000 0.800 62 A CB 0.718 19.724 19.000 0.011 0.000 1.052 62 A HN 0.879 nan 8.150 nan 0.000 0.493 63 M N 0.819 120.427 119.600 0.013 0.000 2.561 63 M HA 0.177 4.657 4.480 -0.000 0.000 0.238 63 M C -0.139 176.165 176.300 0.006 0.000 1.131 63 M CA 0.637 55.943 55.300 0.010 0.000 1.046 63 M CB -1.237 31.369 32.600 0.009 0.000 1.532 63 M HN 0.769 nan 8.290 nan 0.000 0.497 64 D N -1.279 119.124 120.400 0.005 0.000 2.692 64 D HA 0.440 5.080 4.640 -0.000 0.000 0.290 64 D C -0.550 175.751 176.300 0.002 0.000 1.281 64 D CA -0.173 53.829 54.000 0.003 0.000 0.804 64 D CB 1.076 41.877 40.800 0.002 0.000 1.331 64 D HN 0.111 nan 8.370 nan 0.000 0.432 65 G N -0.689 108.111 108.800 0.001 0.000 2.391 65 G HA2 0.309 4.269 3.960 -0.000 0.000 0.234 65 G HA3 0.309 4.269 3.960 -0.000 0.000 0.234 65 G C 0.839 175.740 174.900 0.001 0.000 1.284 65 G CA 0.731 45.831 45.100 0.000 0.000 0.873 65 G HN 0.435 nan 8.290 nan 0.000 0.549 66 T N -1.361 113.193 114.554 0.000 0.000 3.092 66 T HA 0.173 4.523 4.350 -0.000 0.000 0.258 66 T C 0.729 175.428 174.700 -0.001 0.000 1.031 66 T CA 0.011 62.111 62.100 0.000 0.000 0.925 66 T CB 0.095 68.963 68.868 0.001 0.000 1.036 66 T HN 0.674 nan 8.240 nan 0.000 0.544 67 E N 1.813 122.012 120.200 -0.002 0.000 2.413 67 E HA 0.308 4.658 4.350 -0.000 0.000 0.263 67 E C 1.201 177.799 176.600 -0.003 0.000 1.015 67 E CA 0.747 57.145 56.400 -0.002 0.000 0.916 67 E CB 0.275 29.973 29.700 -0.002 0.000 0.947 67 E HN 0.433 nan 8.360 nan 0.000 0.440 68 G N 2.807 111.605 108.800 -0.004 0.000 2.268 68 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.240 68 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.240 68 G C 0.467 175.363 174.900 -0.006 0.000 1.010 68 G CA 0.164 45.261 45.100 -0.005 0.000 0.618 68 G HN 0.507 nan 8.290 nan 0.000 0.516 69 L N 1.096 122.316 121.223 -0.006 0.000 2.514 69 L HA 0.393 4.733 4.340 -0.000 0.000 0.280 69 L C 0.666 177.530 176.870 -0.011 0.000 1.223 69 L CA 0.086 54.921 54.840 -0.009 0.000 0.864 69 L CB 0.830 42.885 42.059 -0.007 0.000 1.118 69 L HN 0.061 nan 8.230 nan 0.000 0.494 70 V N 3.270 123.175 119.914 -0.014 0.000 2.769 70 V HA 0.382 4.502 4.120 -0.000 0.000 0.312 70 V C 0.102 176.184 176.094 -0.021 0.000 1.061 70 V CA -0.944 61.347 62.300 -0.016 0.000 0.931 70 V CB 2.006 33.819 31.823 -0.016 0.000 1.010 70 V HN 0.669 nan 8.190 nan 0.000 0.433 71 R N 2.107 122.595 120.500 -0.020 0.000 2.449 71 R HA 0.449 4.789 4.340 -0.000 0.000 0.296 71 R C 1.258 177.540 176.300 -0.031 0.000 1.047 71 R CA 0.925 57.010 56.100 -0.025 0.000 1.018 71 R CB 0.270 30.558 30.300 -0.020 0.000 0.962 71 R HN 1.193 nan 8.270 nan 0.000 0.428 72 G N 1.731 110.506 108.800 -0.042 0.000 2.234 72 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.235 72 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.235 72 G C 0.257 175.123 174.900 -0.055 0.000 0.997 72 G CA 0.016 45.086 45.100 -0.050 0.000 0.623 72 G HN 0.599 nan 8.290 nan 0.000 0.514 73 Q N 1.179 120.950 119.800 -0.047 0.000 2.386 73 Q HA 0.402 4.742 4.340 -0.000 0.000 0.282 73 Q C 0.250 176.211 176.000 -0.065 0.000 1.050 73 Q CA 0.469 56.245 55.803 -0.045 0.000 0.918 73 Q CB 0.270 28.988 28.738 -0.033 0.000 1.266 73 Q HN 0.479 nan 8.270 nan 0.000 0.423 74 K N 1.653 122.016 120.400 -0.061 0.000 2.174 74 K HA 0.431 4.751 4.320 -0.000 0.000 0.275 74 K C -1.177 175.379 176.600 -0.074 0.000 1.015 74 K CA -0.565 55.673 56.287 -0.082 0.000 0.933 74 K CB 1.483 33.946 32.500 -0.062 0.000 1.025 74 K HN 0.298 nan 8.250 nan 0.000 0.463 75 V N 3.200 123.045 119.914 -0.114 0.000 2.789 75 V HA 0.306 4.426 4.120 -0.000 0.000 0.311 75 V C -1.074 175.004 176.094 -0.026 0.000 1.073 75 V CA -1.036 61.227 62.300 -0.063 0.000 0.921 75 V CB 1.969 33.757 31.823 -0.059 0.000 1.009 75 V HN 0.562 nan 8.190 nan 0.000 0.426 76 L N 3.526 124.787 121.223 0.062 0.000 2.294 76 L HA 0.496 4.836 4.340 -0.000 0.000 0.283 76 L C -0.337 176.639 176.870 0.177 0.000 1.015 76 L CA -0.123 54.783 54.840 0.110 0.000 0.831 76 L CB 1.173 43.270 42.059 0.063 0.000 1.217 76 L HN 0.871 nan 8.230 nan 0.000 0.420 77 D N 2.199 122.770 120.400 0.285 0.000 2.412 77 D HA -0.072 4.568 4.640 -0.000 0.000 0.257 77 D C 1.233 177.586 176.300 0.088 0.000 1.217 77 D CA 0.419 54.516 54.000 0.162 0.000 0.897 77 D CB 1.131 41.961 40.800 0.050 0.000 1.132 77 D HN 0.554 nan 8.370 nan 0.000 0.493 78 S N 2.847 118.584 115.700 0.061 0.000 2.561 78 S HA 0.127 4.597 4.470 -0.000 0.000 0.225 78 S C 1.752 176.374 174.600 0.037 0.000 0.977 78 S CA 0.617 58.846 58.200 0.048 0.000 0.926 78 S CB -0.279 62.946 63.200 0.042 0.000 0.769 78 S HN 0.957 nan 8.310 nan 0.000 0.533 79 G N 0.204 109.017 108.800 0.022 0.000 2.205 79 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.261 79 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.261 79 G C 0.204 175.112 174.900 0.014 0.000 0.980 79 G CA -0.020 45.087 45.100 0.012 0.000 0.632 79 G HN 1.543 nan 8.290 nan 0.000 0.533 80 A N -0.527 122.307 122.820 0.023 0.000 2.569 80 A HA 0.943 5.263 4.320 -0.000 0.000 0.290 80 A C -2.625 174.981 177.584 0.036 0.000 1.136 80 A CA -0.889 51.166 52.037 0.030 0.000 0.710 80 A CB 1.164 20.190 19.000 0.043 0.000 1.303 80 A HN 0.069 nan 8.150 nan 0.000 0.413 81 P HA 0.127 nan 4.420 nan 0.000 0.276 81 P C -0.353 176.991 177.300 0.073 0.000 1.264 81 P CA -0.026 63.131 63.100 0.094 0.000 0.815 81 P CB 0.178 31.974 31.700 0.161 0.000 1.121 82 I N 0.711 121.332 120.570 0.084 0.000 2.662 82 I HA -0.030 4.140 4.170 -0.000 0.000 0.285 82 I C 1.164 177.270 176.117 -0.017 0.000 1.161 82 I CA 0.780 62.090 61.300 0.016 0.000 1.415 82 I CB -0.181 37.819 38.000 0.001 0.000 1.385 82 I HN 0.061 nan 8.210 nan 0.000 0.552 83 R N 7.428 127.897 120.500 -0.052 0.000 2.445 83 R HA 0.677 5.017 4.340 -0.000 0.000 0.308 83 R C -0.845 175.324 176.300 -0.217 0.000 0.961 83 R CA -0.903 55.153 56.100 -0.072 0.000 0.862 83 R CB 1.968 32.271 30.300 0.005 0.000 1.144 83 R HN 0.549 nan 8.270 nan 0.000 0.447 84 I N -0.906 119.550 120.570 -0.189 0.000 2.785 84 I HA 0.547 4.717 4.170 -0.000 0.000 0.302 84 I C -2.702 173.298 176.117 -0.196 0.000 1.069 84 I CA -3.301 57.842 61.300 -0.262 0.000 1.045 84 I CB 1.877 39.784 38.000 -0.154 0.000 1.236 84 I HN 0.302 nan 8.210 nan 0.000 0.429 85 P HA 0.121 nan 4.420 nan 0.000 0.262 85 P C -0.732 176.552 177.300 -0.028 0.000 1.182 85 P CA 0.043 63.176 63.100 0.056 0.000 0.761 85 P CB 0.424 32.124 31.700 0.001 0.000 0.795 86 V N 0.737 120.612 119.914 -0.065 0.000 2.962 86 V HA 1.025 5.145 4.120 -0.000 0.000 0.313 86 V C 0.040 175.714 176.094 -0.700 0.000 1.099 86 V CA -0.269 61.830 62.300 -0.335 0.000 0.971 86 V CB 1.587 33.263 31.823 -0.245 0.000 1.028 86 V HN 0.921 nan 8.190 nan 0.000 0.430 87 G N 2.683 110.790 108.800 -1.155 0.000 2.381 87 G HA2 0.118 4.078 3.960 -0.000 0.000 0.672 87 G HA3 0.118 4.078 3.960 -0.000 0.000 0.672 87 G C -2.607 172.105 174.900 -0.313 0.000 1.324 87 G CA -0.110 44.245 45.100 -1.241 0.000 0.975 87 G HN 0.639 nan 8.290 nan 0.000 0.593 88 P HA -0.036 nan 4.420 nan 0.000 0.221 88 P C 1.306 178.596 177.300 -0.015 0.000 1.141 88 P CA 1.621 64.787 63.100 0.110 0.000 0.794 88 P CB 0.104 31.869 31.700 0.107 0.000 0.764 89 E N -1.718 118.457 120.200 -0.042 0.000 2.427 89 E HA -0.077 4.273 4.350 -0.000 0.000 0.196 89 E C 1.780 178.356 176.600 -0.040 0.000 1.028 89 E CA 1.195 57.570 56.400 -0.042 0.000 0.864 89 E CB -0.966 28.711 29.700 -0.038 0.000 0.813 89 E HN 0.399 nan 8.360 nan 0.000 0.514 90 T N -1.441 113.092 114.554 -0.034 0.000 3.023 90 T HA 0.037 4.387 4.350 -0.000 0.000 0.266 90 T C 0.904 175.594 174.700 -0.017 0.000 1.093 90 T CA 0.008 62.094 62.100 -0.023 0.000 1.129 90 T CB -0.186 68.673 68.868 -0.016 0.000 0.899 90 T HN -0.017 nan 8.240 nan 0.000 0.491 91 L N 1.672 122.875 121.223 -0.034 0.000 2.485 91 L HA 0.410 4.750 4.340 -0.000 0.000 0.275 91 L C 1.805 178.636 176.870 -0.065 0.000 1.207 91 L CA 0.742 55.527 54.840 -0.092 0.000 0.855 91 L CB -0.019 41.891 42.059 -0.249 0.000 1.114 91 L HN 0.535 nan 8.230 nan 0.000 0.485 92 G N 1.613 110.385 108.800 -0.047 0.000 2.205 92 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.269 92 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.269 92 G C 0.441 175.351 174.900 0.017 0.000 0.977 92 G CA 0.056 45.150 45.100 -0.010 0.000 0.652 92 G HN 0.498 nan 8.290 nan 0.000 0.539 93 R N -0.422 120.061 120.500 -0.028 0.000 2.643 93 R HA 0.744 5.084 4.340 -0.000 0.000 0.272 93 R C 0.259 176.470 176.300 -0.148 0.000 0.995 93 R CA -0.935 55.128 56.100 -0.062 0.000 1.032 93 R CB 0.918 31.184 30.300 -0.058 0.000 1.126 93 R HN 0.276 nan 8.270 nan 0.000 0.505 94 I N 3.031 123.463 120.570 -0.230 0.000 2.389 94 I HA 0.383 4.552 4.170 -0.000 0.000 0.288 94 I C 0.413 176.395 176.117 -0.225 0.000 0.999 94 I CA -0.622 60.474 61.300 -0.340 0.000 1.129 94 I CB 1.433 39.108 38.000 -0.542 0.000 1.288 94 I HN 0.391 nan 8.210 nan 0.000 0.444 95 M N 4.264 123.751 119.600 -0.188 0.000 2.724 95 M HA 0.616 5.096 4.480 -0.000 0.000 0.310 95 M C -0.781 175.468 176.300 -0.085 0.000 1.217 95 M CA -0.726 54.502 55.300 -0.120 0.000 0.894 95 M CB 1.920 34.460 32.600 -0.100 0.000 1.719 95 M HN 0.495 nan 8.290 nan 0.000 0.479 96 N N 0.811 119.480 118.700 -0.052 0.000 2.531 96 N HA 0.214 4.954 4.740 -0.000 0.000 0.301 96 N C 0.478 175.972 175.510 -0.026 0.000 1.310 96 N CA -0.668 52.373 53.050 -0.015 0.000 0.949 96 N CB 0.053 38.537 38.487 -0.005 0.000 1.111 96 N HN 0.605 nan 8.380 nan 0.000 0.565 97 V N -0.499 119.407 119.914 -0.013 0.000 2.427 97 V HA -0.040 4.080 4.120 -0.000 0.000 0.248 97 V C 1.609 177.676 176.094 -0.046 0.000 1.051 97 V CA 1.536 63.823 62.300 -0.022 0.000 1.048 97 V CB -0.805 31.015 31.823 -0.005 0.000 0.666 97 V HN 0.634 nan 8.190 nan 0.000 0.456 98 I N -1.920 118.621 120.570 -0.049 0.000 3.806 98 I HA 0.496 4.666 4.170 -0.000 0.000 0.321 98 I C 1.394 177.445 176.117 -0.111 0.000 1.315 98 I CA 0.656 61.914 61.300 -0.070 0.000 1.148 98 I CB -0.520 37.448 38.000 -0.054 0.000 1.028 98 I HN 0.323 nan 8.210 nan 0.000 0.415 99 G N 0.936 109.671 108.800 -0.109 0.000 2.205 99 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.261 99 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.261 99 G C 0.087 174.908 174.900 -0.131 0.000 0.980 99 G CA 0.164 45.179 45.100 -0.142 0.000 0.632 99 G HN 0.638 nan 8.290 nan 0.000 0.533 100 E N 2.239 122.377 120.200 -0.104 0.000 2.452 100 E HA 0.265 4.614 4.350 -0.000 0.000 0.261 100 E C -1.995 174.562 176.600 -0.072 0.000 0.987 100 E CA -0.810 55.542 56.400 -0.080 0.000 0.926 100 E CB 0.790 30.455 29.700 -0.058 0.000 0.934 100 E HN 0.298 nan 8.360 nan 0.000 0.452 101 P HA 0.062 nan 4.420 nan 0.000 0.279 101 P C 0.007 177.268 177.300 -0.065 0.000 1.239 101 P CA 0.226 63.284 63.100 -0.070 0.000 0.789 101 P CB 0.509 32.176 31.700 -0.055 0.000 0.933 102 I N -1.086 119.431 120.570 -0.088 0.000 4.310 102 I HA 0.221 4.391 4.170 -0.000 0.000 0.328 102 I C 0.494 176.550 176.117 -0.101 0.000 1.406 102 I CA -0.240 61.017 61.300 -0.071 0.000 1.174 102 I CB 0.099 38.074 38.000 -0.042 0.000 1.279 102 I HN 0.031 nan 8.210 nan 0.000 0.471 103 D N 1.037 121.349 120.400 -0.147 0.000 2.340 103 D HA -0.055 4.585 4.640 -0.000 0.000 0.220 103 D C 0.744 177.017 176.300 -0.044 0.000 1.039 103 D CA 0.335 54.232 54.000 -0.173 0.000 0.866 103 D CB -0.084 40.565 40.800 -0.252 0.000 0.913 103 D HN 0.553 nan 8.370 nan 0.000 0.523 104 E N -1.084 119.098 120.200 -0.030 0.000 3.628 104 E HA -0.236 4.114 4.350 -0.000 0.000 0.309 104 E C 0.229 176.835 176.600 0.010 0.000 0.839 104 E CA 0.424 56.823 56.400 -0.001 0.000 1.123 104 E CB -1.095 28.615 29.700 0.016 0.000 1.568 104 E HN 0.325 nan 8.360 nan 0.000 0.440 105 R N 0.466 120.970 120.500 0.006 0.000 2.788 105 R HA 0.254 4.594 4.340 -0.000 0.000 0.264 105 R C 0.926 177.228 176.300 0.004 0.000 1.267 105 R CA 0.429 56.537 56.100 0.014 0.000 1.213 105 R CB 0.370 30.683 30.300 0.022 0.000 1.256 105 R HN 0.317 nan 8.270 nan 0.000 0.556 106 G N 1.695 110.496 108.800 0.001 0.000 2.693 106 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.226 106 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.226 106 G C -2.431 172.466 174.900 -0.004 0.000 1.354 106 G CA -1.156 43.944 45.100 0.000 0.000 0.873 106 G HN 0.151 nan 8.290 nan 0.000 0.562 107 P HA 0.496 nan 4.420 nan 0.000 0.273 107 P C 0.042 177.344 177.300 0.004 0.000 1.250 107 P CA -0.383 62.720 63.100 0.005 0.000 0.793 107 P CB 0.378 32.089 31.700 0.017 0.000 1.011 108 I N 0.999 121.575 120.570 0.010 0.000 2.312 108 I HA 0.251 4.421 4.170 -0.000 0.000 0.290 108 I C 0.463 176.607 176.117 0.044 0.000 1.008 108 I CA -0.435 60.872 61.300 0.012 0.000 1.226 108 I CB 0.729 38.725 38.000 -0.007 0.000 1.371 108 I HN 0.071 nan 8.210 nan 0.000 0.468 109 K N 5.851 126.264 120.400 0.023 0.000 2.290 109 K HA 0.304 4.624 4.320 -0.000 0.000 0.250 109 K C -0.305 176.295 176.600 0.000 0.000 1.092 109 K CA -0.355 55.944 56.287 0.019 0.000 1.006 109 K CB 0.652 33.156 32.500 0.006 0.000 1.549 109 K HN 0.681 nan 8.250 nan 0.000 0.436 110 T N -1.887 112.674 114.554 0.011 0.000 2.908 110 T HA 0.272 4.622 4.350 -0.000 0.000 0.290 110 T C 0.968 175.600 174.700 -0.114 0.000 1.034 110 T CA -1.093 60.982 62.100 -0.043 0.000 1.010 110 T CB 1.804 70.649 68.868 -0.037 0.000 1.068 110 T HN 0.349 nan 8.240 nan 0.000 0.481 111 K N 0.855 121.181 120.400 -0.123 0.000 2.076 111 K HA 0.026 4.346 4.320 -0.000 0.000 0.204 111 K C 0.136 176.580 176.600 -0.261 0.000 1.051 111 K CA 0.579 56.766 56.287 -0.167 0.000 0.949 111 K CB -0.276 32.173 32.500 -0.086 0.000 0.726 111 K HN 0.512 nan 8.250 nan 0.000 0.443 112 Q N 0.735 120.437 119.800 -0.164 0.000 2.243 112 Q HA 0.394 4.734 4.340 -0.000 0.000 0.252 112 Q C -0.796 175.187 176.000 -0.028 0.000 0.909 112 Q CA -0.208 55.528 55.803 -0.111 0.000 0.922 112 Q CB 1.000 29.766 28.738 0.046 0.000 1.215 112 Q HN 0.121 nan 8.270 nan 0.000 0.427 113 F N 0.234 120.169 119.950 -0.025 0.000 2.497 113 F HA 0.859 5.385 4.527 -0.000 0.000 0.331 113 F C 0.146 175.937 175.800 -0.015 0.000 1.060 113 F CA -1.513 56.467 58.000 -0.032 0.000 0.989 113 F CB 1.588 40.575 39.000 -0.023 0.000 1.245 113 F HN 0.534 nan 8.300 nan 0.000 0.486 114 A N 0.907 123.836 122.820 0.182 0.000 2.475 114 A HA 0.770 5.089 4.320 -0.000 0.000 0.301 114 A C -1.193 176.419 177.584 0.046 0.000 1.059 114 A CA -0.756 51.337 52.037 0.093 0.000 0.710 114 A CB 1.186 20.224 19.000 0.063 0.000 1.288 114 A HN 0.862 nan 8.150 nan 0.000 0.408 115 A N 1.160 124.006 122.820 0.043 0.000 2.401 115 A HA 0.489 4.809 4.320 -0.000 0.000 0.259 115 A C 1.102 178.682 177.584 -0.007 0.000 1.103 115 A CA 0.125 52.180 52.037 0.030 0.000 0.789 115 A CB -0.405 18.629 19.000 0.057 0.000 1.035 115 A HN 1.655 nan 8.150 nan 0.000 0.491 116 I N -0.280 120.254 120.570 -0.059 0.000 2.546 116 I HA -0.013 4.157 4.170 -0.000 0.000 0.255 116 I C 0.346 176.317 176.117 -0.244 0.000 1.163 116 I CA 0.544 61.743 61.300 -0.168 0.000 1.457 116 I CB -0.382 37.477 38.000 -0.236 0.000 1.092 116 I HN 0.526 nan 8.210 nan 0.000 0.434 117 H N 2.763 121.834 119.070 0.001 0.000 2.620 117 H HA 0.745 5.301 4.556 -0.000 0.000 0.313 117 H C -0.431 174.898 175.328 0.001 0.000 1.075 117 H CA -0.033 56.016 56.048 0.003 0.000 1.397 117 H CB 1.297 31.061 29.762 0.003 0.000 1.446 117 H HN 0.446 nan 8.280 nan 0.000 0.493 118 A N 3.655 126.535 122.820 0.099 0.000 2.566 118 A HA 0.300 4.620 4.320 -0.000 0.000 0.297 118 A C -0.304 177.308 177.584 0.046 0.000 1.059 118 A CA -0.857 51.215 52.037 0.057 0.000 0.691 118 A CB 1.580 20.596 19.000 0.027 0.000 1.282 118 A HN 0.708 nan 8.150 nan 0.000 0.401 119 E N 0.876 121.098 120.200 0.037 0.000 2.408 119 E HA 0.426 4.776 4.350 -0.000 0.000 0.259 119 E C 0.704 177.316 176.600 0.021 0.000 1.110 119 E CA 0.153 56.571 56.400 0.030 0.000 0.929 119 E CB 0.912 30.627 29.700 0.026 0.000 0.971 119 E HN 0.877 nan 8.360 nan 0.000 0.438 120 A N 3.213 126.046 122.820 0.021 0.000 2.406 120 A HA 0.232 4.552 4.320 -0.000 0.000 0.243 120 A C -2.101 175.491 177.584 0.014 0.000 1.082 120 A CA -1.131 50.914 52.037 0.013 0.000 0.786 120 A CB -0.408 18.602 19.000 0.017 0.000 1.029 120 A HN 0.357 nan 8.150 nan 0.000 0.495 121 P HA 0.050 nan 4.420 nan 0.000 0.264 121 P C -0.117 177.195 177.300 0.020 0.000 1.183 121 P CA 0.315 63.417 63.100 0.003 0.000 0.763 121 P CB 0.358 32.049 31.700 -0.015 0.000 0.807 122 E N 1.876 122.095 120.200 0.032 0.000 2.391 122 E HA -0.013 4.337 4.350 -0.000 0.000 0.255 122 E C 0.898 177.554 176.600 0.094 0.000 1.187 122 E CA -0.198 56.245 56.400 0.073 0.000 0.941 122 E CB 0.191 29.934 29.700 0.072 0.000 1.010 122 E HN 0.409 nan 8.360 nan 0.000 0.458 123 F N 1.674 121.624 119.950 -0.000 0.000 2.120 123 F HA -0.261 4.266 4.527 0.000 0.000 0.300 123 F C 2.035 177.834 175.800 -0.002 0.000 1.095 123 F CA 2.008 60.008 58.000 -0.001 0.000 1.249 123 F CB -0.109 38.891 39.000 -0.000 0.000 0.995 123 F HN 0.299 nan 8.300 nan 0.000 0.480 124 V N -1.953 118.081 119.914 0.200 0.000 2.759 124 V HA -0.192 3.928 4.120 -0.000 0.000 0.256 124 V C 1.474 177.562 176.094 -0.010 0.000 1.080 124 V CA 1.995 64.355 62.300 0.100 0.000 1.101 124 V CB -1.019 30.872 31.823 0.113 0.000 0.698 124 V HN 0.463 nan 8.190 nan 0.000 0.477 125 E N 0.204 120.391 120.200 -0.022 0.000 2.502 125 E HA 0.165 4.515 4.350 -0.000 0.000 0.194 125 E C 0.443 176.995 176.600 -0.079 0.000 1.062 125 E CA -0.113 56.264 56.400 -0.038 0.000 0.867 125 E CB -0.028 29.661 29.700 -0.019 0.000 0.888 125 E HN 0.481 nan 8.360 nan 0.000 0.510 126 M N 1.451 120.962 119.600 -0.148 0.000 2.162 126 M HA 0.100 4.580 4.480 -0.000 0.000 0.356 126 M C 0.384 176.586 176.300 -0.163 0.000 1.303 126 M CA -0.150 55.036 55.300 -0.189 0.000 1.116 126 M CB 0.975 33.370 32.600 -0.341 0.000 1.632 126 M HN -0.147 nan 8.290 nan 0.000 0.469 127 S N 2.223 117.855 115.700 -0.114 0.000 2.549 127 S HA 0.192 4.662 4.470 -0.000 0.000 0.286 127 S C 1.095 175.628 174.600 -0.111 0.000 1.314 127 S CA -0.615 57.531 58.200 -0.091 0.000 1.062 127 S CB 0.411 63.573 63.200 -0.063 0.000 0.865 127 S HN 0.571 nan 8.310 nan 0.000 0.498 128 V N 1.443 121.301 119.914 -0.094 0.000 3.650 128 V HA 0.443 4.563 4.120 -0.000 0.000 0.271 128 V C 0.444 176.504 176.094 -0.055 0.000 1.281 128 V CA -0.000 62.247 62.300 -0.087 0.000 1.120 128 V CB -0.407 31.372 31.823 -0.074 0.000 0.856 128 V HN 0.635 nan 8.190 nan 0.000 0.443 129 E N 1.581 121.753 120.200 -0.046 0.000 2.216 129 E HA 0.460 4.810 4.350 -0.000 0.000 0.279 129 E C -0.756 175.826 176.600 -0.030 0.000 0.997 129 E CA -0.149 56.232 56.400 -0.031 0.000 0.817 129 E CB 1.767 31.453 29.700 -0.023 0.000 1.096 129 E HN 0.537 nan 8.360 nan 0.000 0.393 130 Q N 2.010 121.796 119.800 -0.024 0.000 2.400 130 Q HA 0.235 4.575 4.340 -0.000 0.000 0.255 130 Q C -0.561 175.434 176.000 -0.010 0.000 1.008 130 Q CA -0.197 55.594 55.803 -0.020 0.000 0.841 130 Q CB 1.342 30.067 28.738 -0.023 0.000 1.220 130 Q HN 0.323 nan 8.270 nan 0.000 0.474 131 E N 2.180 122.379 120.200 -0.002 0.000 2.231 131 E HA 0.302 4.652 4.350 -0.000 0.000 0.277 131 E C -0.418 176.197 176.600 0.025 0.000 0.999 131 E CA -0.614 55.795 56.400 0.014 0.000 0.827 131 E CB 2.165 31.877 29.700 0.019 0.000 1.101 131 E HN 0.511 nan 8.360 nan 0.000 0.393 132 I N 2.868 123.463 120.570 0.042 0.000 2.692 132 I HA -0.021 4.149 4.170 -0.000 0.000 0.284 132 I C -0.747 175.417 176.117 0.078 0.000 1.159 132 I CA -0.192 61.147 61.300 0.065 0.000 1.423 132 I CB 0.429 38.480 38.000 0.087 0.000 1.380 132 I HN 0.362 nan 8.210 nan 0.000 0.580 133 L N 8.679 129.951 121.223 0.080 0.000 2.283 133 L HA 0.346 4.686 4.340 -0.000 0.000 0.281 133 L C -0.655 176.260 176.870 0.074 0.000 1.033 133 L CA -0.349 54.517 54.840 0.043 0.000 0.848 133 L CB 1.038 43.087 42.059 -0.015 0.000 1.226 133 L HN 0.350 nan 8.230 nan 0.000 0.429 134 V N 4.521 124.543 119.914 0.179 0.000 2.485 134 V HA 0.068 4.188 4.120 -0.000 0.000 0.287 134 V C 1.526 177.734 176.094 0.189 0.000 1.022 134 V CA 0.839 63.246 62.300 0.178 0.000 1.067 134 V CB 0.586 32.512 31.823 0.171 0.000 0.967 134 V HN 0.954 nan 8.190 nan 0.000 0.479 135 T N 0.550 115.112 114.554 0.013 0.000 3.044 135 T HA 0.227 4.577 4.350 -0.000 0.000 0.255 135 T C 1.523 176.205 174.700 -0.029 0.000 1.073 135 T CA 0.769 62.840 62.100 -0.049 0.000 1.125 135 T CB 0.285 69.012 68.868 -0.236 0.000 0.908 135 T HN 1.484 nan 8.240 nan 0.000 0.480 136 G N 1.562 110.352 108.800 -0.017 0.000 2.159 136 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.256 136 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.256 136 G C -0.009 174.879 174.900 -0.019 0.000 0.977 136 G CA 0.114 45.204 45.100 -0.016 0.000 0.652 136 G HN 0.667 nan 8.290 nan 0.000 0.531 137 I N 0.942 121.494 120.570 -0.031 0.000 2.297 137 I HA 0.256 4.426 4.170 -0.000 0.000 0.291 137 I C 1.614 177.753 176.117 0.036 0.000 1.033 137 I CA -0.714 60.610 61.300 0.041 0.000 1.253 137 I CB 1.249 39.283 38.000 0.057 0.000 1.396 137 I HN -0.010 nan 8.210 nan 0.000 0.476 138 K N 3.660 124.095 120.400 0.057 0.000 2.059 138 K HA -0.187 4.133 4.320 -0.000 0.000 0.212 138 K C 1.775 178.400 176.600 0.041 0.000 1.050 138 K CA 1.563 57.890 56.287 0.066 0.000 0.927 138 K CB -0.199 32.348 32.500 0.078 0.000 0.714 138 K HN 0.582 nan 8.250 nan 0.000 0.447 139 V N 0.648 120.588 119.914 0.043 0.000 2.261 139 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 139 V C 2.346 178.444 176.094 0.005 0.000 1.047 139 V CA 1.654 63.964 62.300 0.016 0.000 1.015 139 V CB -0.864 30.992 31.823 0.055 0.000 0.642 139 V HN 0.042 nan 8.190 nan 0.000 0.446 140 V N 0.759 120.676 119.914 0.005 0.000 2.220 140 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 140 V C 2.471 178.557 176.094 -0.014 0.000 1.049 140 V CA 2.509 64.787 62.300 -0.036 0.000 1.003 140 V CB -0.887 30.802 31.823 -0.223 0.000 0.634 140 V HN 0.496 nan 8.190 nan 0.000 0.444 141 D N -0.203 120.182 120.400 -0.025 0.000 2.133 141 D HA -0.172 4.468 4.640 -0.000 0.000 0.195 141 D C 1.943 178.324 176.300 0.135 0.000 0.997 141 D CA 1.488 55.518 54.000 0.049 0.000 0.840 141 D CB -0.311 40.508 40.800 0.032 0.000 0.947 141 D HN 0.367 nan 8.370 nan 0.000 0.452 142 L N -0.262 120.984 121.223 0.040 0.000 2.044 142 L HA -0.021 4.319 4.340 -0.000 0.000 0.205 142 L C 2.010 178.944 176.870 0.107 0.000 1.075 142 L CA 1.408 56.254 54.840 0.009 0.000 0.747 142 L CB -0.105 41.829 42.059 -0.208 0.000 0.903 142 L HN -0.015 nan 8.230 nan 0.000 0.435 143 L N -1.191 120.048 121.223 0.027 0.000 2.388 143 L HA 0.341 4.681 4.340 -0.000 0.000 0.209 143 L C 0.889 177.795 176.870 0.060 0.000 1.061 143 L CA 0.487 55.336 54.840 0.014 0.000 0.834 143 L CB -0.044 41.988 42.059 -0.044 0.000 1.029 143 L HN 0.198 nan 8.230 nan 0.000 0.473 144 A N 0.808 123.680 122.820 0.086 0.000 3.317 144 A HA 0.436 4.756 4.320 -0.000 0.000 0.307 144 A C -2.571 175.118 177.584 0.175 0.000 1.003 144 A CA -1.069 51.042 52.037 0.122 0.000 0.882 144 A CB -0.297 18.785 19.000 0.137 0.000 1.136 144 A HN -0.127 nan 8.150 nan 0.000 0.488 145 P HA 0.041 nan 4.420 nan 0.000 0.267 145 P C -0.735 176.723 177.300 0.264 0.000 1.205 145 P CA 0.427 63.621 63.100 0.156 0.000 0.765 145 P CB 0.409 32.169 31.700 0.101 0.000 0.828 146 Y N 1.466 121.783 120.300 0.027 0.000 2.497 146 Y HA 0.264 4.814 4.550 -0.000 0.000 0.334 146 Y C 1.228 177.121 175.900 -0.013 0.000 1.199 146 Y CA -0.909 57.191 58.100 -0.001 0.000 1.425 146 Y CB -0.167 38.284 38.460 -0.016 0.000 1.291 146 Y HN 0.400 nan 8.280 nan 0.000 0.562 147 A N 4.058 126.936 122.820 0.096 0.000 2.317 147 A HA 0.400 4.720 4.320 -0.000 0.000 0.327 147 A C -0.031 177.554 177.584 0.002 0.000 1.178 147 A CA -1.091 50.967 52.037 0.034 0.000 0.817 147 A CB 0.377 19.380 19.000 0.004 0.000 1.189 147 A HN 0.736 nan 8.150 nan 0.000 0.489 148 K N 1.485 121.883 120.400 -0.002 0.000 2.453 148 K HA 0.295 4.615 4.320 -0.000 0.000 0.280 148 K C 1.194 177.768 176.600 -0.042 0.000 1.045 148 K CA 1.426 57.697 56.287 -0.027 0.000 1.059 148 K CB -0.146 32.343 32.500 -0.018 0.000 0.901 148 K HN 1.627 nan 8.250 nan 0.000 0.475 149 G N 2.632 111.395 108.800 -0.061 0.000 2.148 149 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.254 149 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.254 149 G C 0.346 175.201 174.900 -0.074 0.000 0.981 149 G CA 0.004 45.063 45.100 -0.067 0.000 0.670 149 G HN 0.904 nan 8.290 nan 0.000 0.528 150 G N -0.845 107.906 108.800 -0.083 0.000 2.522 150 G HA2 0.644 4.604 3.960 -0.000 0.000 0.304 150 G HA3 0.644 4.604 3.960 -0.000 0.000 0.304 150 G C -0.333 174.481 174.900 -0.144 0.000 1.210 150 G CA -0.617 44.427 45.100 -0.093 0.000 0.960 150 G HN 0.348 nan 8.290 nan 0.000 0.497 151 K N -0.741 119.575 120.400 -0.140 0.000 2.221 151 K HA 0.594 4.914 4.320 -0.000 0.000 0.258 151 K C -0.932 175.533 176.600 -0.223 0.000 0.944 151 K CA -0.277 55.900 56.287 -0.183 0.000 0.823 151 K CB 2.098 34.517 32.500 -0.136 0.000 1.113 151 K HN 0.236 nan 8.250 nan 0.000 0.431 152 I N 1.284 121.675 120.570 -0.298 0.000 2.436 152 I HA 0.358 4.528 4.170 -0.000 0.000 0.289 152 I C 0.274 176.253 176.117 -0.229 0.000 1.010 152 I CA -0.443 60.660 61.300 -0.328 0.000 1.098 152 I CB 2.217 39.816 38.000 -0.668 0.000 1.266 152 I HN 0.631 nan 8.210 nan 0.000 0.434 153 G N 6.120 114.830 108.800 -0.150 0.000 2.327 153 G HA2 0.520 4.480 3.960 -0.000 0.000 0.302 153 G HA3 0.520 4.480 3.960 -0.000 0.000 0.302 153 G C -1.012 173.846 174.900 -0.069 0.000 1.113 153 G CA -0.369 44.624 45.100 -0.179 0.000 0.921 153 G HN 0.457 nan 8.290 nan 0.000 0.425 154 L N 3.616 124.722 121.223 -0.195 0.000 2.257 154 L HA 0.717 5.057 4.340 -0.000 0.000 0.290 154 L C -1.077 175.680 176.870 -0.188 0.000 1.044 154 L CA -0.788 54.032 54.840 -0.032 0.000 0.810 154 L CB 0.085 42.169 42.059 0.042 0.000 1.193 154 L HN 0.358 nan 8.230 nan 0.000 0.425 155 F N 3.266 123.262 119.950 0.076 0.000 2.585 155 F HA 0.873 5.400 4.527 -0.000 0.000 0.350 155 F C 1.302 177.153 175.800 0.085 0.000 1.074 155 F CA 0.457 58.506 58.000 0.082 0.000 1.032 155 F CB 1.401 40.451 39.000 0.083 0.000 1.330 155 F HN 0.654 nan 8.300 nan 0.000 0.495 156 G N 0.119 109.096 108.800 0.295 0.000 3.355 156 G HA2 0.343 4.303 3.960 -0.000 0.000 0.247 156 G HA3 0.343 4.303 3.960 -0.000 0.000 0.247 156 G C 0.326 175.313 174.900 0.146 0.000 1.818 156 G CA -0.021 45.188 45.100 0.181 0.000 1.309 156 G HN 1.959 nan 8.290 nan 0.000 0.546 157 G N -0.446 108.423 108.800 0.116 0.000 2.250 157 G HA2 0.499 4.459 3.960 -0.000 0.000 0.189 157 G HA3 0.499 4.459 3.960 -0.000 0.000 0.189 157 G C 0.228 175.172 174.900 0.074 0.000 1.298 157 G CA 1.294 46.453 45.100 0.099 0.000 1.246 157 G HN 2.408 nan 8.290 nan 0.000 0.513 158 A N -0.148 122.709 122.820 0.062 0.000 2.328 158 A HA 0.762 5.082 4.320 -0.000 0.000 0.284 158 A C 1.394 178.995 177.584 0.028 0.000 1.160 158 A CA 1.624 53.685 52.037 0.040 0.000 0.818 158 A CB 0.371 19.390 19.000 0.033 0.000 1.087 158 A HN 2.857 nan 8.150 nan 0.000 0.504 159 G N 0.504 109.310 108.800 0.010 0.000 2.316 159 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.203 159 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.203 159 G C 0.583 175.470 174.900 -0.022 0.000 0.999 159 G CA 0.590 45.687 45.100 -0.006 0.000 0.649 159 G HN 1.825 nan 8.290 nan 0.000 0.489 160 V N -1.144 118.766 119.914 -0.007 0.000 3.376 160 V HA 0.646 4.766 4.120 -0.000 0.000 0.313 160 V C 1.668 177.734 176.094 -0.046 0.000 1.393 160 V CA 0.676 62.967 62.300 -0.015 0.000 1.125 160 V CB -0.197 31.644 31.823 0.029 0.000 1.037 160 V HN 2.122 nan 8.190 nan 0.000 0.440 161 G N 1.753 110.518 108.800 -0.058 0.000 2.140 161 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.211 161 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.211 161 G C 0.927 175.834 174.900 0.011 0.000 1.013 161 G CA 0.497 45.554 45.100 -0.071 0.000 0.705 161 G HN 0.617 nan 8.290 nan 0.000 0.508 162 K N 0.385 120.806 120.400 0.035 0.000 2.063 162 K HA -0.178 4.142 4.320 -0.000 0.000 0.208 162 K C 2.481 179.111 176.600 0.049 0.000 1.048 162 K CA 2.464 58.794 56.287 0.070 0.000 0.928 162 K CB -0.728 31.818 32.500 0.078 0.000 0.713 162 K HN 0.615 nan 8.250 nan 0.000 0.442 163 T N -0.760 113.803 114.554 0.015 0.000 2.821 163 T HA -0.059 4.291 4.350 -0.000 0.000 0.267 163 T C 2.179 176.869 174.700 -0.015 0.000 1.046 163 T CA 1.183 63.269 62.100 -0.024 0.000 1.139 163 T CB -0.542 68.307 68.868 -0.031 0.000 0.871 163 T HN 0.031 nan 8.240 nan 0.000 0.454 164 V N 1.569 121.501 119.914 0.029 0.000 2.307 164 V HA -0.062 4.058 4.120 -0.000 0.000 0.245 164 V C 2.538 178.728 176.094 0.161 0.000 1.045 164 V CA 1.583 63.937 62.300 0.090 0.000 1.024 164 V CB -0.760 31.113 31.823 0.084 0.000 0.651 164 V HN 0.397 nan 8.190 nan 0.000 0.449 165 L N -0.045 121.294 121.223 0.194 0.000 2.046 165 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 165 L C 2.154 179.092 176.870 0.114 0.000 1.077 165 L CA 1.891 56.878 54.840 0.245 0.000 0.747 165 L CB -0.562 41.654 42.059 0.261 0.000 0.896 165 L HN 0.225 nan 8.230 nan 0.000 0.432 166 I N -1.025 119.559 120.570 0.024 0.000 2.127 166 I HA -0.385 3.785 4.170 -0.000 0.000 0.241 166 I C 2.521 178.500 176.117 -0.230 0.000 1.075 166 I CA 2.026 63.195 61.300 -0.219 0.000 1.334 166 I CB -0.277 37.474 38.000 -0.415 0.000 1.040 166 I HN 0.322 nan 8.210 nan 0.000 0.405 167 M N -0.369 119.142 119.600 -0.148 0.000 2.159 167 M HA -0.224 4.256 4.480 -0.000 0.000 0.263 167 M C 2.226 178.488 176.300 -0.063 0.000 1.063 167 M CA 1.585 56.823 55.300 -0.104 0.000 1.110 167 M CB -0.436 32.124 32.600 -0.067 0.000 1.374 167 M HN 0.132 nan 8.290 nan 0.000 0.411 168 E N 0.973 121.124 120.200 -0.081 0.000 2.153 168 E HA -0.125 4.225 4.350 -0.000 0.000 0.194 168 E C 1.737 178.246 176.600 -0.152 0.000 0.988 168 E CA 1.171 57.441 56.400 -0.216 0.000 0.811 168 E CB -0.211 29.133 29.700 -0.594 0.000 0.746 168 E HN 0.467 nan 8.360 nan 0.000 0.466 169 L N -0.258 120.961 121.223 -0.007 0.000 2.044 169 L HA -0.081 4.259 4.340 -0.000 0.000 0.205 169 L C 2.386 179.353 176.870 0.161 0.000 1.075 169 L CA 0.914 55.830 54.840 0.127 0.000 0.747 169 L CB -0.378 41.914 42.059 0.388 0.000 0.903 169 L HN 0.175 nan 8.230 nan 0.000 0.435 170 I N 0.283 120.973 120.570 0.201 0.000 2.145 170 I HA -0.388 3.782 4.170 -0.000 0.000 0.244 170 I C 2.326 178.489 176.117 0.077 0.000 1.075 170 I CA 1.952 63.352 61.300 0.166 0.000 1.332 170 I CB -0.499 37.567 38.000 0.110 0.000 1.033 170 I HN 0.381 nan 8.210 nan 0.000 0.410 171 N N 1.108 119.821 118.700 0.022 0.000 2.058 171 N HA -0.191 4.548 4.740 -0.000 0.000 0.191 171 N C 1.540 177.047 175.510 -0.006 0.000 1.037 171 N CA 1.797 54.844 53.050 -0.005 0.000 0.848 171 N CB -0.123 38.339 38.487 -0.042 0.000 1.021 171 N HN 0.184 nan 8.380 nan 0.000 0.422 172 N N -0.674 118.010 118.700 -0.027 0.000 2.453 172 N HA -0.043 4.697 4.740 -0.000 0.000 0.183 172 N C 1.270 176.823 175.510 0.071 0.000 1.041 172 N CA 0.389 53.432 53.050 -0.012 0.000 0.900 172 N CB 0.028 38.477 38.487 -0.064 0.000 0.961 172 N HN 0.143 nan 8.380 nan 0.000 0.443 173 V N 0.112 120.073 119.914 0.078 0.000 2.575 173 V HA 0.100 4.220 4.120 -0.000 0.000 0.242 173 V C 2.082 178.217 176.094 0.069 0.000 1.045 173 V CA 1.299 63.662 62.300 0.105 0.000 1.065 173 V CB -0.537 31.299 31.823 0.022 0.000 0.717 173 V HN 0.241 nan 8.190 nan 0.000 0.467 174 A N -0.429 122.408 122.820 0.028 0.000 2.067 174 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 174 A C 2.196 179.766 177.584 -0.023 0.000 1.158 174 A CA 1.829 53.852 52.037 -0.023 0.000 0.661 174 A CB -0.231 18.787 19.000 0.029 0.000 0.801 174 A HN 0.502 nan 8.150 nan 0.000 0.452 175 K N -0.555 119.846 120.400 0.002 0.000 2.017 175 K HA 0.190 4.510 4.320 -0.000 0.000 0.207 175 K C 1.815 178.395 176.600 -0.033 0.000 1.035 175 K CA 0.900 57.179 56.287 -0.015 0.000 0.947 175 K CB -0.176 32.315 32.500 -0.014 0.000 0.749 175 K HN 0.280 nan 8.250 nan 0.000 0.443 176 A N -0.171 122.630 122.820 -0.032 0.000 2.251 176 A HA 0.027 4.346 4.320 -0.000 0.000 0.209 176 A C 0.733 178.112 177.584 -0.342 0.000 1.187 176 A CA 0.477 52.424 52.037 -0.150 0.000 0.823 176 A CB -0.191 18.711 19.000 -0.163 0.000 0.846 176 A HN 0.435 nan 8.150 nan 0.000 0.486 177 H N -2.196 116.843 119.070 -0.053 0.000 3.680 177 H HA 0.175 4.731 4.556 -0.000 0.000 0.260 177 H C 1.430 176.702 175.328 -0.092 0.000 1.183 177 H CA 0.377 56.390 56.048 -0.058 0.000 1.159 177 H CB 0.504 30.237 29.762 -0.049 0.000 1.567 177 H HN 0.577 nan 8.280 nan 0.000 0.648 178 G N 1.774 110.561 108.800 -0.022 0.000 2.283 178 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.280 178 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.280 178 G C 0.620 175.366 174.900 -0.256 0.000 1.029 178 G CA 0.489 45.505 45.100 -0.140 0.000 0.840 178 G HN 0.611 nan 8.290 nan 0.000 0.505 179 G N -1.161 107.533 108.800 -0.177 0.000 2.356 179 G HA2 0.628 4.588 3.960 -0.000 0.000 0.322 179 G HA3 0.628 4.588 3.960 -0.000 0.000 0.322 179 G C -0.044 174.708 174.900 -0.247 0.000 1.125 179 G CA -0.854 44.113 45.100 -0.223 0.000 0.885 179 G HN 0.293 nan 8.290 nan 0.000 0.467 180 Y N 0.449 120.652 120.300 -0.162 0.000 2.314 180 Y HA 0.556 5.106 4.550 -0.000 0.000 0.359 180 Y C 1.128 176.961 175.900 -0.111 0.000 1.360 180 Y CA -0.335 57.623 58.100 -0.236 0.000 1.697 180 Y CB 1.440 39.527 38.460 -0.622 0.000 1.630 180 Y HN 0.442 nan 8.280 nan 0.000 0.583 181 S N -0.251 115.534 115.700 0.141 0.000 2.564 181 S HA 0.642 5.112 4.470 -0.000 0.000 0.274 181 S C -1.556 173.169 174.600 0.210 0.000 1.124 181 S CA -0.799 57.517 58.200 0.195 0.000 0.869 181 S CB 1.970 65.348 63.200 0.297 0.000 1.105 181 S HN 0.293 nan 8.310 nan 0.000 0.472 182 V N 2.427 122.493 119.914 0.254 0.000 2.656 182 V HA 0.598 4.718 4.120 -0.000 0.000 0.307 182 V C -1.274 175.026 176.094 0.343 0.000 1.051 182 V CA -0.739 61.708 62.300 0.244 0.000 0.893 182 V CB 1.576 33.503 31.823 0.174 0.000 0.999 182 V HN 0.844 nan 8.190 nan 0.000 0.426 183 F N 3.524 123.571 119.950 0.161 0.000 2.403 183 F HA 0.786 5.313 4.527 -0.000 0.000 0.355 183 F C 0.232 176.106 175.800 0.125 0.000 1.119 183 F CA -0.544 57.563 58.000 0.178 0.000 1.007 183 F CB 1.091 40.157 39.000 0.111 0.000 1.194 183 F HN 0.602 nan 8.300 nan 0.000 0.443 184 A N 4.601 127.185 122.820 -0.394 0.000 2.256 184 A HA 0.629 4.949 4.320 -0.000 0.000 0.317 184 A C 0.100 177.431 177.584 -0.422 0.000 1.318 184 A CA -0.325 51.561 52.037 -0.251 0.000 0.894 184 A CB 0.157 19.058 19.000 -0.165 0.000 1.165 184 A HN 1.013 nan 8.150 nan 0.000 0.525 185 G N 1.895 110.675 108.800 -0.033 0.000 2.475 185 G HA2 0.481 4.441 3.960 -0.000 0.000 0.322 185 G HA3 0.481 4.441 3.960 -0.000 0.000 0.322 185 G C -0.397 174.537 174.900 0.057 0.000 1.044 185 G CA -0.180 44.968 45.100 0.081 0.000 1.047 185 G HN 0.641 nan 8.290 nan 0.000 0.436 186 V N 2.570 122.483 119.914 -0.002 0.000 2.408 186 V HA 0.540 4.659 4.120 -0.000 0.000 0.267 186 V C 1.251 177.361 176.094 0.026 0.000 1.047 186 V CA 0.483 62.799 62.300 0.027 0.000 0.937 186 V CB 0.673 32.523 31.823 0.045 0.000 0.999 186 V HN 1.271 nan 8.190 nan 0.000 0.472 187 G N 3.926 112.737 108.800 0.019 0.000 2.359 187 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.298 187 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.298 187 G C -0.091 174.801 174.900 -0.013 0.000 1.030 187 G CA 0.367 45.468 45.100 0.002 0.000 1.149 187 G HN 0.907 nan 8.290 nan 0.000 0.512 188 E N 0.212 120.389 120.200 -0.038 0.000 2.290 188 E HA 0.417 4.767 4.350 -0.000 0.000 0.277 188 E C 1.089 177.620 176.600 -0.116 0.000 1.035 188 E CA -0.567 55.769 56.400 -0.106 0.000 0.873 188 E CB 0.352 29.886 29.700 -0.277 0.000 1.029 188 E HN 0.508 nan 8.360 nan 0.000 0.419 189 R N 3.731 124.175 120.500 -0.093 0.000 2.370 189 R HA 0.066 4.406 4.340 -0.000 0.000 0.309 189 R C 1.052 177.288 176.300 -0.107 0.000 1.059 189 R CA 0.203 56.258 56.100 -0.075 0.000 0.981 189 R CB 0.318 30.589 30.300 -0.048 0.000 0.972 189 R HN 0.671 nan 8.270 nan 0.000 0.437 190 T N 2.405 116.909 114.554 -0.084 0.000 2.649 190 T HA -0.300 4.050 4.350 -0.000 0.000 0.268 190 T C 1.775 176.444 174.700 -0.051 0.000 1.036 190 T CA 1.908 63.964 62.100 -0.073 0.000 1.157 190 T CB -0.181 68.669 68.868 -0.030 0.000 0.861 190 T HN 0.599 nan 8.240 nan 0.000 0.445 191 R N 1.050 121.532 120.500 -0.030 0.000 2.081 191 R HA -0.113 4.227 4.340 -0.000 0.000 0.235 191 R C 2.199 178.494 176.300 -0.008 0.000 1.131 191 R CA 1.766 57.862 56.100 -0.007 0.000 0.960 191 R CB -0.167 30.131 30.300 -0.004 0.000 0.856 191 R HN 0.514 nan 8.270 nan 0.000 0.436 192 E N -0.907 119.270 120.200 -0.038 0.000 2.274 192 E HA -0.078 4.271 4.350 -0.000 0.000 0.194 192 E C 1.783 178.337 176.600 -0.076 0.000 0.996 192 E CA 0.825 57.200 56.400 -0.041 0.000 0.840 192 E CB 0.018 29.692 29.700 -0.043 0.000 0.772 192 E HN 0.613 nan 8.360 nan 0.000 0.491 193 G N 1.417 110.115 108.800 -0.169 0.000 2.394 193 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.215 193 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.215 193 G C 1.356 176.309 174.900 0.088 0.000 1.165 193 G CA 0.815 45.736 45.100 -0.299 0.000 0.784 193 G HN 0.216 nan 8.290 nan 0.000 0.535 194 N N 0.644 119.413 118.700 0.115 0.000 2.043 194 N HA -0.143 4.597 4.740 -0.000 0.000 0.193 194 N C 1.763 177.463 175.510 0.317 0.000 1.037 194 N CA 1.869 55.075 53.050 0.260 0.000 0.851 194 N CB -0.206 38.400 38.487 0.198 0.000 1.027 194 N HN 0.142 nan 8.380 nan 0.000 0.422 195 D N -0.338 120.165 120.400 0.172 0.000 2.133 195 D HA -0.159 4.481 4.640 -0.000 0.000 0.195 195 D C 1.823 178.200 176.300 0.128 0.000 0.997 195 D CA 0.738 54.821 54.000 0.137 0.000 0.840 195 D CB -0.325 40.513 40.800 0.064 0.000 0.947 195 D HN 0.269 nan 8.370 nan 0.000 0.452 196 L N -0.434 120.841 121.223 0.088 0.000 2.027 196 L HA -0.147 4.193 4.340 -0.000 0.000 0.206 196 L C 2.050 178.958 176.870 0.064 0.000 1.074 196 L CA 1.485 56.336 54.840 0.018 0.000 0.745 196 L CB -0.913 41.100 42.059 -0.077 0.000 0.898 196 L HN 0.059 nan 8.230 nan 0.000 0.433 197 Y N 0.568 120.853 120.300 -0.026 0.000 2.030 197 Y HA -0.387 4.163 4.550 -0.000 0.000 0.272 197 Y C 2.712 178.499 175.900 -0.188 0.000 1.185 197 Y CA 2.493 60.513 58.100 -0.132 0.000 1.120 197 Y CB -0.964 37.395 38.460 -0.168 0.000 0.955 197 Y HN 0.478 nan 8.280 nan 0.000 0.495 198 H N -0.953 118.099 119.070 -0.030 0.000 2.423 198 H HA -0.055 4.501 4.556 -0.000 0.000 0.297 198 H C 2.201 177.466 175.328 -0.106 0.000 1.075 198 H CA 1.398 57.359 56.048 -0.144 0.000 1.342 198 H CB -0.049 29.670 29.762 -0.071 0.000 1.395 198 H HN 0.449 nan 8.280 nan 0.000 0.530 199 E N 0.046 120.272 120.200 0.043 0.000 2.110 199 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 199 E C 1.865 178.441 176.600 -0.040 0.000 0.988 199 E CA 1.009 57.414 56.400 0.009 0.000 0.804 199 E CB 0.050 29.761 29.700 0.019 0.000 0.745 199 E HN 0.451 nan 8.360 nan 0.000 0.458 200 M N -0.133 119.422 119.600 -0.074 0.000 2.156 200 M HA -0.105 4.375 4.480 -0.000 0.000 0.264 200 M C 2.136 178.370 176.300 -0.109 0.000 1.067 200 M CA 1.097 56.342 55.300 -0.091 0.000 1.131 200 M CB -0.054 32.490 32.600 -0.094 0.000 1.368 200 M HN 0.134 nan 8.290 nan 0.000 0.416 201 I N 0.023 120.487 120.570 -0.177 0.000 2.163 201 I HA -0.288 3.882 4.170 -0.000 0.000 0.243 201 I C 2.296 178.344 176.117 -0.114 0.000 1.085 201 I CA 1.187 62.374 61.300 -0.188 0.000 1.347 201 I CB -0.453 37.357 38.000 -0.316 0.000 1.044 201 I HN 0.258 nan 8.210 nan 0.000 0.408 202 E N 0.426 120.570 120.200 -0.092 0.000 2.268 202 E HA -0.142 4.208 4.350 -0.000 0.000 0.195 202 E C 2.238 178.798 176.600 -0.068 0.000 0.995 202 E CA 1.468 57.822 56.400 -0.078 0.000 0.836 202 E CB -0.161 29.491 29.700 -0.080 0.000 0.763 202 E HN 0.547 nan 8.360 nan 0.000 0.491 203 S N -1.536 114.131 115.700 -0.054 0.000 2.548 203 S HA 0.222 4.692 4.470 -0.000 0.000 0.215 203 S C 1.589 176.169 174.600 -0.032 0.000 0.976 203 S CA 0.800 58.980 58.200 -0.033 0.000 0.908 203 S CB 0.675 63.865 63.200 -0.016 0.000 0.781 203 S HN 0.270 nan 8.310 nan 0.000 0.519 204 G N 0.990 109.763 108.800 -0.045 0.000 2.308 204 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.221 204 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.221 204 G C 1.067 175.947 174.900 -0.035 0.000 1.032 204 G CA 0.365 45.443 45.100 -0.038 0.000 0.623 204 G HN 1.374 nan 8.290 nan 0.000 0.506 205 V N -0.119 119.775 119.914 -0.033 0.000 2.688 205 V HA 0.313 4.433 4.120 -0.000 0.000 0.256 205 V C 1.297 177.373 176.094 -0.031 0.000 1.084 205 V CA 1.720 64.007 62.300 -0.023 0.000 1.103 205 V CB -0.414 31.396 31.823 -0.022 0.000 0.688 205 V HN 0.557 nan 8.190 nan 0.000 0.480 206 I N 1.100 121.638 120.570 -0.053 0.000 2.562 206 I HA 0.498 4.668 4.170 -0.000 0.000 0.301 206 I C -0.406 175.669 176.117 -0.071 0.000 1.003 206 I CA -0.448 60.816 61.300 -0.059 0.000 1.127 206 I CB 1.768 39.725 38.000 -0.071 0.000 1.304 206 I HN 0.137 nan 8.210 nan 0.000 0.446 207 N N 5.154 123.819 118.700 -0.058 0.000 2.500 207 N HA 0.327 5.067 4.740 -0.000 0.000 0.291 207 N C -0.099 175.384 175.510 -0.046 0.000 1.092 207 N CA -0.353 52.664 53.050 -0.054 0.000 0.890 207 N CB 2.053 40.519 38.487 -0.036 0.000 1.466 207 N HN 0.555 nan 8.380 nan 0.000 0.507 208 L N 2.633 123.823 121.223 -0.055 0.000 2.554 208 L HA 0.080 4.420 4.340 -0.000 0.000 0.226 208 L C 1.793 178.649 176.870 -0.023 0.000 1.137 208 L CA 0.631 55.450 54.840 -0.035 0.000 0.863 208 L CB 0.086 42.118 42.059 -0.045 0.000 0.985 208 L HN 0.355 nan 8.230 nan 0.000 0.451 209 K N 0.300 120.685 120.400 -0.025 0.000 2.063 209 K HA -0.016 4.304 4.320 -0.000 0.000 0.204 209 K C 0.793 177.385 176.600 -0.013 0.000 1.039 209 K CA 1.122 57.398 56.287 -0.018 0.000 0.957 209 K CB -0.015 32.474 32.500 -0.019 0.000 0.764 209 K HN 0.315 nan 8.250 nan 0.000 0.447 210 D N -0.565 119.827 120.400 -0.013 0.000 2.463 210 D HA 0.243 4.883 4.640 -0.000 0.000 0.247 210 D C 0.025 176.319 176.300 -0.010 0.000 1.240 210 D CA -0.484 53.511 54.000 -0.009 0.000 1.151 210 D CB -0.002 40.795 40.800 -0.005 0.000 1.180 210 D HN 0.042 nan 8.370 nan 0.000 0.532 211 A N -1.038 121.777 122.820 -0.008 0.000 2.568 211 A HA 0.349 4.669 4.320 -0.000 0.000 0.287 211 A C 0.645 178.222 177.584 -0.013 0.000 0.967 211 A CA 0.165 52.194 52.037 -0.014 0.000 1.004 211 A CB -0.581 18.416 19.000 -0.005 0.000 1.233 211 A HN 0.499 nan 8.150 nan 0.000 0.513 212 T N -2.017 112.533 114.554 -0.007 0.000 3.206 212 T HA 0.223 4.573 4.350 -0.000 0.000 0.253 212 T C 0.557 175.255 174.700 -0.002 0.000 1.042 212 T CA 0.191 62.297 62.100 0.009 0.000 0.931 212 T CB -0.427 68.450 68.868 0.015 0.000 1.029 212 T HN 0.134 nan 8.240 nan 0.000 0.564 213 S N 1.843 117.521 115.700 -0.037 0.000 2.558 213 S HA 0.172 4.642 4.470 -0.000 0.000 0.288 213 S C 0.981 175.542 174.600 -0.066 0.000 1.318 213 S CA -0.367 57.802 58.200 -0.051 0.000 1.056 213 S CB 0.842 64.002 63.200 -0.067 0.000 0.853 213 S HN 0.520 nan 8.310 nan 0.000 0.505 214 K N 0.732 121.123 120.400 -0.014 0.000 2.355 214 K HA 0.197 4.517 4.320 -0.000 0.000 0.198 214 K C -0.545 176.071 176.600 0.026 0.000 1.039 214 K CA 0.177 56.498 56.287 0.057 0.000 1.075 214 K CB 0.552 33.119 32.500 0.111 0.000 0.870 214 K HN 0.421 nan 8.250 nan 0.000 0.540 215 V N 0.398 120.306 119.914 -0.011 0.000 2.638 215 V HA 0.612 4.732 4.120 -0.000 0.000 0.306 215 V C -0.553 175.547 176.094 0.010 0.000 1.052 215 V CA -1.538 60.782 62.300 0.033 0.000 0.885 215 V CB 1.540 33.402 31.823 0.064 0.000 0.999 215 V HN 0.045 nan 8.190 nan 0.000 0.424 216 A N 5.097 127.946 122.820 0.049 0.000 2.310 216 A HA 0.871 5.191 4.320 -0.000 0.000 0.299 216 A C -0.525 177.093 177.584 0.057 0.000 1.147 216 A CA -0.501 51.561 52.037 0.041 0.000 0.818 216 A CB 0.563 19.612 19.000 0.082 0.000 1.096 216 A HN 0.865 nan 8.150 nan 0.000 0.495 217 L N 2.361 123.560 121.223 -0.040 0.000 2.329 217 L HA 0.608 4.948 4.340 -0.000 0.000 0.279 217 L C -1.009 175.747 176.870 -0.189 0.000 1.014 217 L CA -0.876 53.903 54.840 -0.103 0.000 0.814 217 L CB 1.851 43.696 42.059 -0.356 0.000 1.257 217 L HN 0.411 nan 8.230 nan 0.000 0.424 218 V N 2.987 122.852 119.914 -0.082 0.000 2.482 218 V HA 0.398 4.518 4.120 -0.000 0.000 0.295 218 V C -0.934 175.234 176.094 0.123 0.000 1.026 218 V CA -0.555 61.715 62.300 -0.051 0.000 0.856 218 V CB 1.512 33.330 31.823 -0.008 0.000 1.001 218 V HN 0.504 nan 8.190 nan 0.000 0.424 219 Y N 1.996 122.315 120.300 0.031 0.000 2.335 219 Y HA 0.665 5.215 4.550 -0.000 0.000 0.338 219 Y C 0.815 176.721 175.900 0.011 0.000 0.977 219 Y CA -1.003 57.120 58.100 0.038 0.000 1.114 219 Y CB 2.510 40.985 38.460 0.024 0.000 1.182 219 Y HN 0.710 nan 8.280 nan 0.000 0.463 220 G N 4.267 113.170 108.800 0.170 0.000 3.039 220 G HA2 0.333 4.293 3.960 -0.000 0.000 0.329 220 G HA3 0.333 4.293 3.960 -0.000 0.000 0.329 220 G C -1.000 173.927 174.900 0.045 0.000 1.361 220 G CA -0.507 44.642 45.100 0.081 0.000 1.088 220 G HN 0.600 nan 8.290 nan 0.000 0.501 221 Q N 1.552 121.370 119.800 0.031 0.000 2.354 221 Q HA 0.242 4.581 4.340 -0.000 0.000 0.244 221 Q C 1.513 177.507 176.000 -0.010 0.000 0.969 221 Q CA -0.439 55.358 55.803 -0.011 0.000 0.885 221 Q CB 1.777 30.504 28.738 -0.018 0.000 1.241 221 Q HN 0.522 nan 8.270 nan 0.000 0.461 222 M N 1.621 121.208 119.600 -0.021 0.000 2.192 222 M HA -0.253 4.227 4.480 -0.000 0.000 0.259 222 M C 1.237 177.530 176.300 -0.011 0.000 1.071 222 M CA 2.001 57.292 55.300 -0.016 0.000 1.082 222 M CB -0.408 32.180 32.600 -0.020 0.000 1.373 222 M HN 0.724 nan 8.290 nan 0.000 0.408 223 N N -0.055 118.639 118.700 -0.010 0.000 2.485 223 N HA 0.001 4.741 4.740 -0.000 0.000 0.199 223 N C -0.531 174.977 175.510 -0.003 0.000 1.236 223 N CA 0.029 53.075 53.050 -0.007 0.000 0.852 223 N CB 0.074 38.557 38.487 -0.006 0.000 1.018 223 N HN 0.355 nan 8.380 nan 0.000 0.457 224 E N 0.519 120.718 120.200 -0.002 0.000 2.222 224 E HA 0.319 4.669 4.350 -0.000 0.000 0.272 224 E C -2.447 174.151 176.600 -0.003 0.000 0.982 224 E CA -2.496 53.904 56.400 0.000 0.000 0.842 224 E CB 0.979 30.683 29.700 0.006 0.000 1.144 224 E HN 0.118 nan 8.360 nan 0.000 0.397 225 P HA -0.051 nan 4.420 nan 0.000 0.270 225 P C -1.946 175.349 177.300 -0.009 0.000 1.227 225 P CA -0.809 62.287 63.100 -0.006 0.000 0.788 225 P CB -0.032 31.667 31.700 -0.002 0.000 0.926 226 P HA -0.145 nan 4.420 nan 0.000 0.218 226 P C 1.531 178.818 177.300 -0.022 0.000 1.149 226 P CA 1.799 64.883 63.100 -0.027 0.000 0.817 226 P CB -0.568 31.110 31.700 -0.036 0.000 0.785 227 G N 0.609 109.403 108.800 -0.010 0.000 2.469 227 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.219 227 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.219 227 G C 1.763 176.670 174.900 0.011 0.000 1.150 227 G CA 1.205 46.306 45.100 0.002 0.000 0.763 227 G HN 0.380 nan 8.290 nan 0.000 0.561 228 A N 0.865 123.690 122.820 0.008 0.000 1.855 228 A HA 0.047 4.367 4.320 -0.000 0.000 0.215 228 A C 2.459 180.053 177.584 0.018 0.000 1.191 228 A CA 1.656 53.701 52.037 0.013 0.000 0.613 228 A CB -0.374 18.632 19.000 0.010 0.000 0.829 228 A HN 0.329 nan 8.150 nan 0.000 0.442 229 R N -0.234 120.273 120.500 0.011 0.000 2.152 229 R HA 0.013 4.353 4.340 -0.000 0.000 0.232 229 R C 2.258 178.577 176.300 0.031 0.000 1.117 229 R CA 1.094 57.204 56.100 0.018 0.000 0.981 229 R CB -0.414 29.886 30.300 -0.000 0.000 0.870 229 R HN 0.512 nan 8.270 nan 0.000 0.451 230 A N 0.755 123.578 122.820 0.005 0.000 1.968 230 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 230 A C 1.783 179.422 177.584 0.091 0.000 1.169 230 A CA 1.006 53.038 52.037 -0.009 0.000 0.638 230 A CB -0.042 18.919 19.000 -0.065 0.000 0.812 230 A HN 0.041 nan 8.150 nan 0.000 0.446 231 R N -0.161 120.378 120.500 0.066 0.000 2.210 231 R HA -0.004 4.336 4.340 -0.000 0.000 0.203 231 R C 2.099 178.414 176.300 0.024 0.000 1.010 231 R CA 1.285 57.414 56.100 0.049 0.000 1.008 231 R CB -1.292 29.018 30.300 0.016 0.000 0.923 231 R HN 0.586 nan 8.270 nan 0.000 0.469 232 V N -1.006 118.930 119.914 0.037 0.000 2.392 232 V HA -0.126 3.994 4.120 -0.000 0.000 0.249 232 V C 2.305 178.389 176.094 -0.017 0.000 1.059 232 V CA 1.795 64.102 62.300 0.012 0.000 1.051 232 V CB -1.246 30.595 31.823 0.031 0.000 0.658 232 V HN 0.136 nan 8.190 nan 0.000 0.455 233 A N 0.578 123.392 122.820 -0.009 0.000 2.019 233 A HA -0.014 4.306 4.320 -0.000 0.000 0.219 233 A C 2.247 179.750 177.584 -0.135 0.000 1.164 233 A CA 2.093 54.056 52.037 -0.123 0.000 0.644 233 A CB -0.554 18.272 19.000 -0.290 0.000 0.805 233 A HN 0.609 nan 8.150 nan 0.000 0.449 234 L N -1.376 119.793 121.223 -0.090 0.000 2.068 234 L HA -0.107 4.233 4.340 -0.000 0.000 0.204 234 L C 2.768 179.567 176.870 -0.119 0.000 1.076 234 L CA 1.621 56.388 54.840 -0.122 0.000 0.753 234 L CB -1.339 40.619 42.059 -0.168 0.000 0.910 234 L HN 0.305 nan 8.230 nan 0.000 0.439 235 T N 0.374 114.866 114.554 -0.103 0.000 2.597 235 T HA -0.232 4.118 4.350 -0.000 0.000 0.267 235 T C 1.836 176.498 174.700 -0.063 0.000 1.053 235 T CA 1.829 63.879 62.100 -0.083 0.000 1.165 235 T CB -0.821 68.008 68.868 -0.065 0.000 0.863 235 T HN 0.578 nan 8.240 nan 0.000 0.427 236 G N 1.150 109.916 108.800 -0.056 0.000 2.469 236 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.220 236 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.220 236 G C 1.505 176.383 174.900 -0.037 0.000 1.136 236 G CA 0.944 46.020 45.100 -0.040 0.000 0.759 236 G HN 0.396 nan 8.290 nan 0.000 0.562 237 L N 0.953 122.134 121.223 -0.069 0.000 2.072 237 L HA 0.063 4.403 4.340 -0.000 0.000 0.205 237 L C 2.941 179.788 176.870 -0.038 0.000 1.079 237 L CA 2.384 57.184 54.840 -0.066 0.000 0.752 237 L CB -1.141 40.857 42.059 -0.102 0.000 0.906 237 L HN 0.201 nan 8.230 nan 0.000 0.436 238 T N -0.778 113.747 114.554 -0.048 0.000 2.607 238 T HA -0.217 4.133 4.350 -0.000 0.000 0.267 238 T C 2.013 176.699 174.700 -0.022 0.000 1.049 238 T CA 1.946 64.024 62.100 -0.036 0.000 1.162 238 T CB -0.644 68.192 68.868 -0.053 0.000 0.863 238 T HN 0.185 nan 8.240 nan 0.000 0.424 239 V N 1.971 121.868 119.914 -0.028 0.000 2.250 239 V HA -0.303 3.817 4.120 -0.000 0.000 0.253 239 V C 2.910 179.014 176.094 0.018 0.000 1.065 239 V CA 2.086 64.366 62.300 -0.032 0.000 1.039 239 V CB -1.342 30.492 31.823 0.019 0.000 0.647 239 V HN 0.611 nan 8.190 nan 0.000 0.446 240 A N -1.038 121.845 122.820 0.105 0.000 1.972 240 A HA -0.272 4.048 4.320 -0.000 0.000 0.219 240 A C 2.163 179.828 177.584 0.136 0.000 1.169 240 A CA 2.038 54.193 52.037 0.197 0.000 0.635 240 A CB -0.523 18.546 19.000 0.114 0.000 0.810 240 A HN 0.659 nan 8.150 nan 0.000 0.446 241 E N -1.691 118.538 120.200 0.048 0.000 2.077 241 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 241 E C 1.731 178.334 176.600 0.005 0.000 0.989 241 E CA 1.295 57.708 56.400 0.021 0.000 0.800 241 E CB -0.333 29.366 29.700 -0.002 0.000 0.746 241 E HN 0.771 nan 8.360 nan 0.000 0.452 242 Y N 0.432 120.632 120.300 -0.167 0.000 2.062 242 Y HA -0.343 4.207 4.550 -0.000 0.000 0.276 242 Y C 1.766 177.545 175.900 -0.202 0.000 1.189 242 Y CA 2.077 60.017 58.100 -0.267 0.000 1.130 242 Y CB -0.433 37.728 38.460 -0.499 0.000 0.959 242 Y HN 0.029 nan 8.280 nan 0.000 0.499 243 F N -0.358 119.751 119.950 0.265 0.000 2.365 243 F HA -0.124 4.403 4.527 -0.000 0.000 0.300 243 F C 2.687 178.506 175.800 0.031 0.000 1.090 243 F CA 1.309 59.425 58.000 0.193 0.000 1.408 243 F CB -0.313 38.859 39.000 0.287 0.000 1.060 243 F HN 0.008 nan 8.300 nan 0.000 0.534 244 R N 0.488 121.074 120.500 0.143 0.000 2.066 244 R HA -0.086 4.254 4.340 -0.000 0.000 0.224 244 R C 1.547 177.833 176.300 -0.022 0.000 1.122 244 R CA 1.585 57.717 56.100 0.053 0.000 0.974 244 R CB -0.139 30.182 30.300 0.034 0.000 0.871 244 R HN 0.102 nan 8.270 nan 0.000 0.435 245 D N 0.372 120.725 120.400 -0.077 0.000 2.106 245 D HA -0.104 4.536 4.640 -0.000 0.000 0.203 245 D C 2.043 178.241 176.300 -0.170 0.000 0.977 245 D CA 1.019 54.953 54.000 -0.109 0.000 0.844 245 D CB -0.182 40.555 40.800 -0.105 0.000 1.002 245 D HN 0.243 nan 8.370 nan 0.000 0.461 246 Q N 0.354 119.951 119.800 -0.339 0.000 2.187 246 Q HA 0.009 4.349 4.340 -0.000 0.000 0.199 246 Q C 1.251 177.077 176.000 -0.290 0.000 0.957 246 Q CA 0.776 56.316 55.803 -0.439 0.000 0.857 246 Q CB 0.191 28.334 28.738 -0.992 0.000 0.929 246 Q HN 0.502 nan 8.270 nan 0.000 0.453 247 E N -0.659 119.422 120.200 -0.198 0.000 2.526 247 E HA 0.184 4.534 4.350 -0.000 0.000 0.208 247 E C 0.513 177.127 176.600 0.024 0.000 0.997 247 E CA 0.274 56.674 56.400 -0.001 0.000 0.961 247 E CB 0.947 30.770 29.700 0.204 0.000 1.030 247 E HN 0.408 nan 8.360 nan 0.000 0.483 248 G N 2.494 111.292 108.800 -0.004 0.000 2.168 248 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.257 248 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.257 248 G C 0.125 175.033 174.900 0.013 0.000 0.997 248 G CA 0.455 45.555 45.100 -0.000 0.000 0.708 248 G HN 0.256 nan 8.290 nan 0.000 0.520 249 Q N -0.019 119.804 119.800 0.038 0.000 2.260 249 Q HA 0.410 4.750 4.340 -0.000 0.000 0.238 249 Q C -0.700 175.307 176.000 0.013 0.000 0.948 249 Q CA -0.648 55.166 55.803 0.017 0.000 0.895 249 Q CB 0.820 29.565 28.738 0.011 0.000 1.218 249 Q HN 0.186 nan 8.270 nan 0.000 0.470 250 D N 1.822 122.215 120.400 -0.012 0.000 2.402 250 D HA 0.151 4.791 4.640 -0.000 0.000 0.235 250 D C -0.599 175.672 176.300 -0.049 0.000 1.226 250 D CA 0.051 54.029 54.000 -0.036 0.000 0.918 250 D CB 0.495 41.259 40.800 -0.060 0.000 1.043 250 D HN 0.130 nan 8.370 nan 0.000 0.506 251 V N 2.299 122.206 119.914 -0.012 0.000 2.904 251 V HA 0.311 4.431 4.120 -0.000 0.000 0.305 251 V C 0.674 176.741 176.094 -0.044 0.000 1.067 251 V CA -0.828 61.480 62.300 0.013 0.000 1.044 251 V CB 1.705 33.594 31.823 0.111 0.000 1.050 251 V HN 0.341 nan 8.190 nan 0.000 0.475 252 L N 3.549 124.748 121.223 -0.039 0.000 2.305 252 L HA 0.540 4.880 4.340 -0.000 0.000 0.284 252 L C -0.982 175.789 176.870 -0.166 0.000 1.013 252 L CA -0.593 54.157 54.840 -0.151 0.000 0.819 252 L CB 1.585 43.574 42.059 -0.116 0.000 1.227 252 L HN 0.535 nan 8.230 nan 0.000 0.417 253 L N 4.480 125.529 121.223 -0.291 0.000 2.305 253 L HA 0.551 4.891 4.340 -0.000 0.000 0.284 253 L C -1.291 175.336 176.870 -0.405 0.000 1.013 253 L CA 0.187 54.896 54.840 -0.218 0.000 0.819 253 L CB 1.183 43.159 42.059 -0.138 0.000 1.227 253 L HN 0.220 nan 8.230 nan 0.000 0.417 254 F N 5.950 125.865 119.950 -0.059 0.000 2.415 254 F HA 0.541 5.068 4.527 -0.000 0.000 0.348 254 F C 0.080 175.684 175.800 -0.325 0.000 1.119 254 F CA -0.338 57.589 58.000 -0.122 0.000 1.069 254 F CB 1.216 40.243 39.000 0.045 0.000 1.124 254 F HN 0.265 nan 8.300 nan 0.000 0.472 255 I N 3.281 123.767 120.570 -0.139 0.000 2.382 255 I HA 0.240 4.410 4.170 -0.000 0.000 0.285 255 I C -0.997 175.012 176.117 -0.181 0.000 1.007 255 I CA -0.434 60.727 61.300 -0.232 0.000 1.142 255 I CB 1.326 39.191 38.000 -0.225 0.000 1.289 255 I HN 0.430 nan 8.210 nan 0.000 0.453 256 D N 6.564 126.804 120.400 -0.266 0.000 2.462 256 D HA 0.299 4.939 4.640 -0.000 0.000 0.245 256 D C -0.945 175.331 176.300 -0.040 0.000 1.122 256 D CA -0.345 53.601 54.000 -0.091 0.000 0.864 256 D CB 1.159 41.973 40.800 0.023 0.000 1.098 256 D HN 0.706 nan 8.370 nan 0.000 0.541 257 N N 1.894 120.605 118.700 0.019 0.000 2.380 257 N HA 0.301 5.041 4.740 -0.000 0.000 0.290 257 N C 0.627 176.182 175.510 0.076 0.000 1.236 257 N CA -0.819 52.254 53.050 0.039 0.000 0.780 257 N CB 1.775 40.314 38.487 0.086 0.000 1.438 257 N HN 0.137 nan 8.380 nan 0.000 0.491 258 I N 0.378 120.988 120.570 0.067 0.000 2.315 258 I HA -0.053 4.117 4.170 -0.000 0.000 0.248 258 I C 1.546 177.807 176.117 0.240 0.000 1.117 258 I CA 0.923 62.285 61.300 0.104 0.000 1.404 258 I CB -0.295 37.710 38.000 0.009 0.000 1.071 258 I HN 0.727 nan 8.210 nan 0.000 0.419 259 F N 1.740 121.774 119.950 0.140 0.000 2.154 259 F HA -0.227 4.300 4.527 -0.000 0.000 0.301 259 F C 2.414 178.313 175.800 0.165 0.000 1.087 259 F CA 1.708 59.818 58.000 0.183 0.000 1.274 259 F CB -0.364 38.794 39.000 0.264 0.000 1.009 259 F HN -0.022 nan 8.300 nan 0.000 0.485 260 R N -1.065 119.461 120.500 0.044 0.000 2.235 260 R HA -0.121 4.219 4.340 -0.000 0.000 0.213 260 R C 2.121 178.390 176.300 -0.051 0.000 1.059 260 R CA 1.137 57.195 56.100 -0.070 0.000 0.997 260 R CB -0.694 29.629 30.300 0.038 0.000 0.884 260 R HN 0.441 nan 8.270 nan 0.000 0.462 261 F N 1.388 121.267 119.950 -0.119 0.000 2.128 261 F HA -0.100 4.427 4.527 -0.000 0.000 0.295 261 F C 2.052 177.781 175.800 -0.118 0.000 1.100 261 F CA 1.410 59.351 58.000 -0.099 0.000 1.260 261 F CB -0.482 38.472 39.000 -0.076 0.000 1.009 261 F HN -0.215 nan 8.300 nan 0.000 0.476 262 T N 0.860 115.235 114.554 -0.297 0.000 2.665 262 T HA -0.301 4.049 4.350 -0.000 0.000 0.268 262 T C 1.956 176.461 174.700 -0.325 0.000 1.035 262 T CA 1.905 63.798 62.100 -0.344 0.000 1.151 262 T CB -0.531 68.246 68.868 -0.151 0.000 0.862 262 T HN 0.443 nan 8.240 nan 0.000 0.438 263 Q N 0.640 120.174 119.800 -0.443 0.000 2.061 263 Q HA -0.152 4.188 4.340 -0.000 0.000 0.204 263 Q C 2.558 178.423 176.000 -0.224 0.000 0.984 263 Q CA 1.783 57.362 55.803 -0.374 0.000 0.846 263 Q CB -0.356 28.062 28.738 -0.533 0.000 0.902 263 Q HN 0.539 nan 8.270 nan 0.000 0.421 264 A N 0.467 123.157 122.820 -0.217 0.000 1.908 264 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 264 A C 2.283 179.764 177.584 -0.171 0.000 1.181 264 A CA 1.749 53.694 52.037 -0.155 0.000 0.627 264 A CB -1.220 17.708 19.000 -0.119 0.000 0.818 264 A HN 0.612 nan 8.150 nan 0.000 0.445 265 G N -0.910 107.730 108.800 -0.266 0.000 2.422 265 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.218 265 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.218 265 G C 1.929 176.745 174.900 -0.140 0.000 1.146 265 G CA 1.514 46.467 45.100 -0.245 0.000 0.769 265 G HN 0.613 nan 8.290 nan 0.000 0.547 266 S N 0.295 115.926 115.700 -0.115 0.000 2.382 266 S HA -0.105 4.365 4.470 -0.000 0.000 0.228 266 S C 2.200 176.761 174.600 -0.065 0.000 1.027 266 S CA 1.877 60.044 58.200 -0.055 0.000 0.991 266 S CB -0.285 62.898 63.200 -0.029 0.000 0.823 266 S HN 0.582 nan 8.310 nan 0.000 0.469 267 E N 0.166 120.319 120.200 -0.079 0.000 2.031 267 E HA -0.097 4.253 4.350 -0.000 0.000 0.193 267 E C 2.196 178.766 176.600 -0.049 0.000 0.994 267 E CA 1.506 57.869 56.400 -0.062 0.000 0.800 267 E CB -0.317 29.346 29.700 -0.062 0.000 0.752 267 E HN 0.370 nan 8.360 nan 0.000 0.447 268 V N 1.001 120.882 119.914 -0.056 0.000 2.332 268 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 268 V C 2.448 178.521 176.094 -0.034 0.000 1.055 268 V CA 1.996 64.271 62.300 -0.042 0.000 1.038 268 V CB -0.558 31.238 31.823 -0.045 0.000 0.651 268 V HN 0.290 nan 8.190 nan 0.000 0.450 269 S N -0.245 115.431 115.700 -0.040 0.000 2.368 269 S HA -0.202 4.268 4.470 -0.000 0.000 0.225 269 S C 2.131 176.718 174.600 -0.021 0.000 1.030 269 S CA 1.690 59.873 58.200 -0.027 0.000 0.999 269 S CB -0.332 62.853 63.200 -0.025 0.000 0.844 269 S HN 0.624 nan 8.310 nan 0.000 0.459 270 A N 1.522 124.327 122.820 -0.026 0.000 1.877 270 A HA 0.031 4.351 4.320 -0.000 0.000 0.216 270 A C 2.213 179.787 177.584 -0.017 0.000 1.186 270 A CA 1.606 53.630 52.037 -0.022 0.000 0.620 270 A CB -0.877 18.105 19.000 -0.029 0.000 0.822 270 A HN 0.593 nan 8.150 nan 0.000 0.443 271 L N -0.725 120.487 121.223 -0.018 0.000 2.141 271 L HA -0.099 4.241 4.340 -0.000 0.000 0.209 271 L C 2.030 178.895 176.870 -0.008 0.000 1.094 271 L CA 0.675 55.507 54.840 -0.013 0.000 0.763 271 L CB -0.483 41.569 42.059 -0.013 0.000 0.908 271 L HN 0.320 nan 8.230 nan 0.000 0.437 272 L N -0.006 121.211 121.223 -0.009 0.000 2.610 272 L HA 0.077 4.417 4.340 -0.000 0.000 0.232 272 L C 1.492 178.360 176.870 -0.004 0.000 1.149 272 L CA 0.558 55.395 54.840 -0.005 0.000 0.872 272 L CB -0.633 41.422 42.059 -0.007 0.000 0.992 272 L HN 0.509 nan 8.230 nan 0.000 0.447 273 G N 0.504 109.301 108.800 -0.006 0.000 2.148 273 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.254 273 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.254 273 G C 0.313 175.211 174.900 -0.003 0.000 0.981 273 G CA -0.203 44.894 45.100 -0.004 0.000 0.670 273 G HN 0.392 nan 8.290 nan 0.000 0.528 274 R N -0.265 120.233 120.500 -0.005 0.000 2.543 274 R HA 0.460 4.800 4.340 -0.000 0.000 0.277 274 R C 0.979 177.278 176.300 -0.002 0.000 1.074 274 R CA -0.482 55.617 56.100 -0.003 0.000 1.076 274 R CB 0.788 31.086 30.300 -0.004 0.000 0.993 274 R HN 0.316 nan 8.270 nan 0.000 0.459 275 I N 5.107 125.678 120.570 0.001 0.000 2.587 275 I HA 0.020 4.190 4.170 -0.000 0.000 0.284 275 I C -1.697 174.424 176.117 0.007 0.000 1.134 275 I CA -1.612 59.690 61.300 0.003 0.000 1.410 275 I CB 0.347 38.350 38.000 0.005 0.000 1.392 275 I HN 0.273 nan 8.210 nan 0.000 0.545 276 P HA 0.058 nan 4.420 nan 0.000 0.270 276 P C -0.265 177.051 177.300 0.026 0.000 1.223 276 P CA -0.119 62.987 63.100 0.011 0.000 0.785 276 P CB 0.809 32.504 31.700 -0.007 0.000 0.923 277 S N 0.609 116.339 115.700 0.049 0.000 2.667 277 S HA 0.691 5.161 4.470 -0.000 0.000 0.292 277 S C -0.453 174.195 174.600 0.080 0.000 1.108 277 S CA -0.490 57.748 58.200 0.064 0.000 0.992 277 S CB 0.152 63.402 63.200 0.083 0.000 1.269 277 S HN 0.509 nan 8.310 nan 0.000 0.528 278 A N 0.500 123.377 122.820 0.096 0.000 2.546 278 A HA 0.421 4.741 4.320 -0.000 0.000 0.243 278 A C 0.942 178.620 177.584 0.156 0.000 1.063 278 A CA 0.513 52.611 52.037 0.102 0.000 0.757 278 A CB -1.005 18.052 19.000 0.095 0.000 0.991 278 A HN 1.663 nan 8.150 nan 0.000 0.503 279 V N 1.349 121.318 119.914 0.092 0.000 3.710 279 V HA -0.293 3.827 4.120 -0.000 0.000 0.214 279 V C 1.823 177.856 176.094 -0.101 0.000 0.429 279 V CA 1.498 63.834 62.300 0.060 0.000 1.007 279 V CB -2.400 29.546 31.823 0.204 0.000 1.117 279 V HN 2.938 nan 8.190 nan 0.000 1.243 280 G N -2.294 106.462 108.800 -0.073 0.000 2.199 280 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.254 280 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.254 280 G C -0.047 174.743 174.900 -0.183 0.000 0.982 280 G CA 0.340 45.351 45.100 -0.148 0.000 0.632 280 G HN 0.933 nan 8.290 nan 0.000 0.529 281 Y N 2.376 122.692 120.300 0.027 0.000 2.426 281 Y HA 0.348 4.898 4.550 -0.000 0.000 0.344 281 Y C 1.530 177.428 175.900 -0.004 0.000 1.256 281 Y CA 0.093 58.200 58.100 0.013 0.000 1.451 281 Y CB 0.437 38.914 38.460 0.030 0.000 1.342 281 Y HN 0.417 nan 8.280 nan 0.000 0.600 282 Q N 3.348 123.242 119.800 0.157 0.000 2.349 282 Q HA -0.020 4.320 4.340 -0.000 0.000 0.287 282 Q C -2.245 173.796 176.000 0.069 0.000 1.044 282 Q CA -1.272 54.571 55.803 0.066 0.000 0.918 282 Q CB 0.490 29.239 28.738 0.020 0.000 1.242 282 Q HN 0.398 nan 8.270 nan 0.000 0.405 283 P HA -0.141 nan 4.420 nan 0.000 0.218 283 P C 1.016 178.333 177.300 0.028 0.000 1.148 283 P CA 1.928 65.049 63.100 0.035 0.000 0.822 283 P CB -0.240 31.473 31.700 0.021 0.000 0.784 284 T N -3.467 111.098 114.554 0.018 0.000 3.317 284 T HA 0.097 4.447 4.350 -0.000 0.000 0.250 284 T C 1.426 176.133 174.700 0.013 0.000 1.106 284 T CA -0.259 61.849 62.100 0.013 0.000 0.986 284 T CB -0.971 67.897 68.868 -0.000 0.000 1.010 284 T HN -0.143 nan 8.240 nan 0.000 0.560 285 L N 1.733 122.968 121.223 0.020 0.000 2.013 285 L HA 0.027 4.367 4.340 -0.000 0.000 0.212 285 L C 2.673 179.560 176.870 0.028 0.000 1.073 285 L CA 2.224 57.069 54.840 0.008 0.000 0.753 285 L CB -1.162 40.898 42.059 0.002 0.000 0.890 285 L HN 0.376 nan 8.230 nan 0.000 0.432 286 A N -1.639 121.208 122.820 0.045 0.000 1.929 286 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 286 A C 2.270 179.915 177.584 0.101 0.000 1.176 286 A CA 1.983 54.069 52.037 0.081 0.000 0.628 286 A CB -1.133 17.906 19.000 0.065 0.000 0.816 286 A HN 0.636 nan 8.150 nan 0.000 0.444 287 T N -2.698 111.897 114.554 0.069 0.000 2.978 287 T HA -0.063 4.287 4.350 -0.000 0.000 0.262 287 T C 1.329 176.073 174.700 0.072 0.000 1.063 287 T CA 1.108 63.249 62.100 0.068 0.000 1.140 287 T CB -0.365 68.530 68.868 0.045 0.000 0.886 287 T HN 0.268 nan 8.240 nan 0.000 0.470 288 D N 1.172 121.605 120.400 0.056 0.000 2.133 288 D HA -0.087 4.553 4.640 -0.000 0.000 0.195 288 D C 1.879 178.288 176.300 0.180 0.000 0.997 288 D CA 1.256 55.294 54.000 0.062 0.000 0.840 288 D CB -0.343 40.425 40.800 -0.054 0.000 0.947 288 D HN 0.347 nan 8.370 nan 0.000 0.452 289 M N 0.149 119.848 119.600 0.165 0.000 2.236 289 M HA 0.100 4.580 4.480 -0.000 0.000 0.266 289 M C 1.916 178.207 176.300 -0.016 0.000 1.070 289 M CA 1.661 57.073 55.300 0.185 0.000 1.137 289 M CB -0.507 32.189 32.600 0.161 0.000 1.378 289 M HN -0.029 nan 8.290 nan 0.000 0.426 290 G N -0.968 107.868 108.800 0.060 0.000 2.404 290 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.215 290 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.215 290 G C 1.430 176.343 174.900 0.020 0.000 1.174 290 G CA 1.462 46.603 45.100 0.068 0.000 0.780 290 G HN 0.583 nan 8.290 nan 0.000 0.537 291 T N -1.501 113.082 114.554 0.048 0.000 2.962 291 T HA 0.017 4.367 4.350 -0.000 0.000 0.270 291 T C 2.163 176.874 174.700 0.020 0.000 1.088 291 T CA 1.303 63.429 62.100 0.044 0.000 1.127 291 T CB -0.046 68.862 68.868 0.067 0.000 0.883 291 T HN 0.132 nan 8.240 nan 0.000 0.493 292 M N 0.874 120.474 119.600 0.001 0.000 2.171 292 M HA 0.063 4.543 4.480 -0.000 0.000 0.260 292 M C 2.227 178.422 176.300 -0.176 0.000 1.087 292 M CA 1.375 56.621 55.300 -0.090 0.000 1.154 292 M CB -0.709 31.798 32.600 -0.155 0.000 1.331 292 M HN 0.146 nan 8.290 nan 0.000 0.431 293 Q N 0.404 120.050 119.800 -0.256 0.000 2.170 293 Q HA -0.159 4.181 4.340 -0.000 0.000 0.203 293 Q C 1.748 177.652 176.000 -0.160 0.000 0.976 293 Q CA 1.206 56.824 55.803 -0.308 0.000 0.858 293 Q CB -0.349 28.000 28.738 -0.649 0.000 0.907 293 Q HN 0.568 nan 8.270 nan 0.000 0.433 294 E N 0.612 120.759 120.200 -0.088 0.000 2.208 294 E HA -0.095 4.255 4.350 -0.000 0.000 0.193 294 E C 1.902 178.483 176.600 -0.031 0.000 0.988 294 E CA 0.383 56.772 56.400 -0.017 0.000 0.828 294 E CB -0.034 29.681 29.700 0.025 0.000 0.763 294 E HN 0.336 nan 8.360 nan 0.000 0.478 295 R N 0.277 120.747 120.500 -0.050 0.000 2.193 295 R HA -0.001 4.339 4.340 -0.000 0.000 0.229 295 R C 0.832 177.096 176.300 -0.060 0.000 1.110 295 R CA 0.507 56.578 56.100 -0.049 0.000 0.988 295 R CB -0.147 30.121 30.300 -0.053 0.000 0.871 295 R HN 0.089 nan 8.270 nan 0.000 0.458 296 I N 1.200 121.721 120.570 -0.082 0.000 2.294 296 I HA 0.094 4.264 4.170 -0.000 0.000 0.295 296 I C 0.168 176.243 176.117 -0.070 0.000 1.098 296 I CA 0.155 61.402 61.300 -0.088 0.000 1.277 296 I CB 1.221 39.146 38.000 -0.125 0.000 1.434 296 I HN -0.063 nan 8.210 nan 0.000 0.498 297 T N 2.914 117.433 114.554 -0.059 0.000 2.700 297 T HA 0.261 4.610 4.350 -0.000 0.000 0.307 297 T C -0.750 173.921 174.700 -0.049 0.000 1.580 297 T CA -0.473 61.596 62.100 -0.053 0.000 0.992 297 T CB 1.615 70.456 68.868 -0.045 0.000 1.577 297 T HN 0.350 nan 8.240 nan 0.000 0.496 298 T N 3.021 117.545 114.554 -0.049 0.000 2.729 298 T HA 0.521 4.871 4.350 -0.000 0.000 0.296 298 T C 0.676 175.347 174.700 -0.048 0.000 0.928 298 T CA -0.236 61.837 62.100 -0.045 0.000 1.045 298 T CB 0.442 69.284 68.868 -0.043 0.000 0.902 298 T HN 0.805 nan 8.240 nan 0.000 0.500 299 T N 1.137 115.667 114.554 -0.040 0.000 2.880 299 T HA 0.414 4.764 4.350 -0.000 0.000 0.279 299 T C 1.362 176.040 174.700 -0.037 0.000 0.990 299 T CA -0.877 61.199 62.100 -0.041 0.000 0.938 299 T CB 0.951 69.798 68.868 -0.034 0.000 1.206 299 T HN 0.368 nan 8.240 nan 0.000 0.573 300 K N -0.152 120.227 120.400 -0.034 0.000 2.148 300 K HA 0.018 4.338 4.320 -0.000 0.000 0.204 300 K C 2.317 178.904 176.600 -0.023 0.000 1.050 300 K CA 1.098 57.368 56.287 -0.028 0.000 0.942 300 K CB -0.112 32.373 32.500 -0.025 0.000 0.724 300 K HN 0.478 nan 8.250 nan 0.000 0.446 301 K N -0.517 119.868 120.400 -0.024 0.000 2.076 301 K HA 0.011 4.331 4.320 -0.000 0.000 0.204 301 K C 0.838 177.427 176.600 -0.018 0.000 1.051 301 K CA 1.056 57.329 56.287 -0.023 0.000 0.949 301 K CB 0.427 32.909 32.500 -0.031 0.000 0.726 301 K HN 0.263 nan 8.250 nan 0.000 0.443 302 G N -1.302 107.487 108.800 -0.017 0.000 2.510 302 G HA2 0.334 4.294 3.960 -0.000 0.000 0.277 302 G HA3 0.334 4.294 3.960 -0.000 0.000 0.277 302 G C -1.554 173.336 174.900 -0.017 0.000 1.223 302 G CA -0.159 44.934 45.100 -0.011 0.000 0.887 302 G HN 0.161 nan 8.290 nan 0.000 0.485 303 S N -1.070 114.621 115.700 -0.015 0.000 2.533 303 S HA 0.697 5.167 4.470 -0.000 0.000 0.271 303 S C -1.229 173.354 174.600 -0.028 0.000 1.143 303 S CA -0.708 57.475 58.200 -0.028 0.000 0.891 303 S CB 1.475 64.652 63.200 -0.038 0.000 1.105 303 S HN 0.766 nan 8.310 nan 0.000 0.468 304 I N 2.522 123.069 120.570 -0.039 0.000 2.359 304 I HA 0.435 4.605 4.170 -0.000 0.000 0.294 304 I C -0.088 175.974 176.117 -0.092 0.000 0.987 304 I CA -0.335 60.933 61.300 -0.054 0.000 1.225 304 I CB 2.038 40.009 38.000 -0.047 0.000 1.366 304 I HN 0.646 nan 8.210 nan 0.000 0.466 305 T N 4.105 118.586 114.554 -0.123 0.000 2.807 305 T HA 0.316 4.666 4.350 -0.000 0.000 0.279 305 T C -0.424 174.131 174.700 -0.242 0.000 0.993 305 T CA -0.495 61.507 62.100 -0.163 0.000 0.970 305 T CB 1.504 70.286 68.868 -0.143 0.000 0.950 305 T HN 0.517 nan 8.240 nan 0.000 0.441 306 S N 2.316 117.857 115.700 -0.265 0.000 2.478 306 S HA 0.613 5.083 4.470 -0.000 0.000 0.312 306 S C -0.528 173.856 174.600 -0.359 0.000 1.094 306 S CA -0.613 57.397 58.200 -0.318 0.000 1.081 306 S CB 0.586 63.635 63.200 -0.252 0.000 1.007 306 S HN 0.473 nan 8.310 nan 0.000 0.475 307 V N 6.115 125.771 119.914 -0.431 0.000 2.350 307 V HA 0.448 4.568 4.120 -0.000 0.000 0.276 307 V C -0.396 175.618 176.094 -0.133 0.000 1.028 307 V CA -0.511 61.623 62.300 -0.275 0.000 0.860 307 V CB 1.178 32.901 31.823 -0.166 0.000 0.990 307 V HN 0.849 nan 8.190 nan 0.000 0.453 308 Q N 3.411 123.126 119.800 -0.140 0.000 2.327 308 Q HA 0.697 5.037 4.340 -0.000 0.000 0.270 308 Q C -0.285 175.633 176.000 -0.137 0.000 1.022 308 Q CA -0.548 55.177 55.803 -0.131 0.000 0.773 308 Q CB 2.331 30.963 28.738 -0.176 0.000 1.251 308 Q HN 0.855 nan 8.270 nan 0.000 0.457 309 A N 4.460 127.235 122.820 -0.076 0.000 2.409 309 A HA 0.395 4.715 4.320 -0.000 0.000 0.267 309 A C -0.101 177.405 177.584 -0.129 0.000 1.127 309 A CA -0.277 51.701 52.037 -0.097 0.000 0.795 309 A CB 0.085 19.089 19.000 0.006 0.000 1.061 309 A HN 0.669 nan 8.150 nan 0.000 0.502 310 I N 2.651 123.035 120.570 -0.311 0.000 2.354 310 I HA 0.184 4.354 4.170 -0.000 0.000 0.292 310 I C -0.642 175.440 176.117 -0.058 0.000 0.989 310 I CA -0.405 60.759 61.300 -0.227 0.000 1.188 310 I CB 0.937 38.652 38.000 -0.474 0.000 1.342 310 I HN 0.704 nan 8.210 nan 0.000 0.457 311 Y N 6.385 126.675 120.300 -0.017 0.000 2.350 311 Y HA 0.387 4.937 4.550 -0.000 0.000 0.340 311 Y C -0.310 175.525 175.900 -0.110 0.000 1.006 311 Y CA -0.563 57.503 58.100 -0.056 0.000 1.166 311 Y CB 1.296 39.711 38.460 -0.075 0.000 1.168 311 Y HN 0.326 nan 8.280 nan 0.000 0.502 312 V N 9.752 129.287 119.914 -0.632 0.000 2.304 312 V HA 0.247 4.367 4.120 -0.000 0.000 0.262 312 V C -2.082 173.520 176.094 -0.821 0.000 1.061 312 V CA -1.985 60.036 62.300 -0.464 0.000 0.872 312 V CB 0.201 31.945 31.823 -0.131 0.000 1.077 312 V HN 0.703 nan 8.190 nan 0.000 0.480 313 P HA 0.067 nan 4.420 nan 0.000 0.261 313 P C 0.631 177.794 177.300 -0.228 0.000 1.183 313 P CA 0.941 63.764 63.100 -0.462 0.000 0.761 313 P CB 0.747 32.323 31.700 -0.206 0.000 0.785 314 A N 4.099 126.824 122.820 -0.158 0.000 2.847 314 A HA -0.228 4.092 4.320 -0.000 0.000 0.263 314 A C 0.814 178.347 177.584 -0.085 0.000 1.391 314 A CA 1.032 53.026 52.037 -0.073 0.000 0.866 314 A CB -2.577 16.407 19.000 -0.026 0.000 1.057 314 A HN 0.627 nan 8.150 nan 0.000 0.673 315 D N -1.191 119.126 120.400 -0.139 0.000 2.782 315 D HA -0.205 4.435 4.640 -0.000 0.000 0.231 315 D C -0.172 176.081 176.300 -0.080 0.000 1.163 315 D CA 1.892 55.830 54.000 -0.104 0.000 0.680 315 D CB -1.058 39.706 40.800 -0.060 0.000 1.062 315 D HN 0.919 nan 8.370 nan 0.000 0.425 316 D N 0.214 120.564 120.400 -0.084 0.000 2.454 316 D HA 0.263 4.903 4.640 -0.000 0.000 0.225 316 D C 1.239 177.501 176.300 -0.063 0.000 1.081 316 D CA -0.558 53.407 54.000 -0.059 0.000 0.864 316 D CB 0.502 41.282 40.800 -0.033 0.000 1.040 316 D HN 0.069 nan 8.370 nan 0.000 0.517 317 L N 2.584 123.754 121.223 -0.088 0.000 2.552 317 L HA -0.012 4.328 4.340 -0.000 0.000 0.227 317 L C 2.025 178.812 176.870 -0.138 0.000 1.146 317 L CA 1.002 55.761 54.840 -0.136 0.000 0.858 317 L CB -0.138 41.780 42.059 -0.235 0.000 0.969 317 L HN 0.477 nan 8.230 nan 0.000 0.451 318 T N -5.258 109.245 114.554 -0.085 0.000 3.086 318 T HA 0.007 4.357 4.350 -0.000 0.000 0.250 318 T C 0.480 175.171 174.700 -0.014 0.000 1.074 318 T CA -0.465 61.600 62.100 -0.059 0.000 0.988 318 T CB -0.304 68.535 68.868 -0.048 0.000 0.988 318 T HN 0.147 nan 8.240 nan 0.000 0.530 319 D N 2.381 122.783 120.400 0.004 0.000 2.443 319 D HA 0.141 4.781 4.640 -0.000 0.000 0.239 319 D C -1.368 174.945 176.300 0.021 0.000 1.136 319 D CA -1.639 52.395 54.000 0.057 0.000 0.879 319 D CB 1.200 42.048 40.800 0.081 0.000 1.195 319 D HN -0.044 nan 8.370 nan 0.000 0.443 320 P HA -0.205 nan 4.420 nan 0.000 0.216 320 P C 0.642 177.800 177.300 -0.236 0.000 1.150 320 P CA 1.679 64.701 63.100 -0.130 0.000 0.843 320 P CB 0.064 31.667 31.700 -0.161 0.000 0.787 321 A N 0.240 122.840 122.820 -0.367 0.000 1.832 321 A HA -0.102 4.218 4.320 -0.000 0.000 0.214 321 A C -0.020 177.617 177.584 0.089 0.000 1.200 321 A CA 2.076 54.002 52.037 -0.186 0.000 0.610 321 A CB -2.248 16.795 19.000 0.071 0.000 0.842 321 A HN 0.203 nan 8.150 nan 0.000 0.444 322 P HA -0.159 nan 4.420 nan 0.000 0.215 322 P C 1.615 179.110 177.300 0.325 0.000 1.153 322 P CA 2.120 65.388 63.100 0.280 0.000 0.853 322 P CB -0.238 31.602 31.700 0.232 0.000 0.788 323 A N -0.285 122.616 122.820 0.135 0.000 1.933 323 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 323 A C 2.349 180.016 177.584 0.139 0.000 1.175 323 A CA 2.413 54.505 52.037 0.092 0.000 0.628 323 A CB -1.906 17.099 19.000 0.008 0.000 0.814 323 A HN 0.195 nan 8.150 nan 0.000 0.444 324 T N -0.356 114.261 114.554 0.105 0.000 2.821 324 T HA -0.087 4.263 4.350 -0.000 0.000 0.267 324 T C 1.966 176.795 174.700 0.216 0.000 1.046 324 T CA 1.822 63.992 62.100 0.118 0.000 1.139 324 T CB -0.406 68.499 68.868 0.063 0.000 0.871 324 T HN 0.566 nan 8.240 nan 0.000 0.454 325 T N 1.512 116.206 114.554 0.233 0.000 2.777 325 T HA 0.017 4.367 4.350 -0.000 0.000 0.266 325 T C 1.514 176.332 174.700 0.197 0.000 1.040 325 T CA 0.823 63.054 62.100 0.219 0.000 1.141 325 T CB -0.477 68.479 68.868 0.145 0.000 0.868 325 T HN 0.284 nan 8.240 nan 0.000 0.444 326 F N 1.668 121.679 119.950 0.101 0.000 2.333 326 F HA 0.058 4.584 4.527 -0.000 0.000 0.300 326 F C 2.476 178.291 175.800 0.025 0.000 1.083 326 F CA 0.480 58.527 58.000 0.078 0.000 1.395 326 F CB -0.468 38.571 39.000 0.065 0.000 1.056 326 F HN 0.134 nan 8.300 nan 0.000 0.529 327 A N -1.358 121.541 122.820 0.132 0.000 2.121 327 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 327 A C 1.731 179.192 177.584 -0.206 0.000 1.154 327 A CA 1.410 53.407 52.037 -0.067 0.000 0.679 327 A CB -0.747 18.148 19.000 -0.174 0.000 0.795 327 A HN 0.443 nan 8.150 nan 0.000 0.458 328 H N -1.221 117.862 119.070 0.021 0.000 2.648 328 H HA 0.294 4.850 4.556 -0.000 0.000 0.265 328 H C -0.028 175.265 175.328 -0.059 0.000 0.961 328 H CA -0.049 55.986 56.048 -0.022 0.000 1.185 328 H CB 0.149 29.890 29.762 -0.036 0.000 1.449 328 H HN 0.308 nan 8.280 nan 0.000 0.523 329 L N 1.938 123.170 121.223 0.016 0.000 2.319 329 L HA 0.078 4.418 4.340 -0.000 0.000 0.280 329 L C 0.841 177.691 176.870 -0.034 0.000 1.099 329 L CA -0.067 54.734 54.840 -0.065 0.000 0.828 329 L CB 1.140 43.083 42.059 -0.193 0.000 1.150 329 L HN 0.070 nan 8.230 nan 0.000 0.442 330 D N 2.206 122.575 120.400 -0.051 0.000 2.346 330 D HA 0.199 4.839 4.640 -0.000 0.000 0.206 330 D C 0.445 176.734 176.300 -0.018 0.000 1.001 330 D CA 0.467 54.449 54.000 -0.030 0.000 0.871 330 D CB 1.160 41.936 40.800 -0.040 0.000 0.943 330 D HN 0.588 nan 8.370 nan 0.000 0.518 331 A N 0.414 123.206 122.820 -0.046 0.000 2.609 331 A HA 0.568 4.888 4.320 -0.000 0.000 0.291 331 A C -0.744 176.842 177.584 0.004 0.000 1.096 331 A CA -0.635 51.402 52.037 -0.001 0.000 0.684 331 A CB 1.580 20.591 19.000 0.019 0.000 1.282 331 A HN -0.015 nan 8.150 nan 0.000 0.412 332 T N -1.203 113.402 114.554 0.085 0.000 2.863 332 T HA 0.726 5.076 4.350 -0.000 0.000 0.285 332 T C -0.576 174.245 174.700 0.201 0.000 1.009 332 T CA -0.499 61.704 62.100 0.171 0.000 0.989 332 T CB 1.540 70.523 68.868 0.193 0.000 1.004 332 T HN 0.598 nan 8.240 nan 0.000 0.455 333 T N 2.614 117.320 114.554 0.253 0.000 2.772 333 T HA 0.490 4.840 4.350 -0.000 0.000 0.288 333 T C -0.241 174.630 174.700 0.285 0.000 0.994 333 T CA -0.558 61.701 62.100 0.265 0.000 0.951 333 T CB 0.900 69.954 68.868 0.309 0.000 0.933 333 T HN 0.626 nan 8.240 nan 0.000 0.447 334 V N 5.844 125.889 119.914 0.218 0.000 2.318 334 V HA 0.323 4.443 4.120 -0.000 0.000 0.271 334 V C 0.242 176.435 176.094 0.164 0.000 1.030 334 V CA -0.754 61.668 62.300 0.203 0.000 0.844 334 V CB 0.468 32.350 31.823 0.099 0.000 1.015 334 V HN 0.764 nan 8.190 nan 0.000 0.460 335 L N 4.009 125.338 121.223 0.176 0.000 2.367 335 L HA 0.453 4.793 4.340 -0.000 0.000 0.275 335 L C 0.534 177.472 176.870 0.113 0.000 1.129 335 L CA 0.458 55.377 54.840 0.132 0.000 0.839 335 L CB 1.407 43.539 42.059 0.122 0.000 1.133 335 L HN 0.676 nan 8.230 nan 0.000 0.453 336 S N 2.713 118.467 115.700 0.090 0.000 2.532 336 S HA 0.328 4.798 4.470 -0.000 0.000 0.299 336 S C 0.651 175.290 174.600 0.065 0.000 1.105 336 S CA -0.807 57.438 58.200 0.075 0.000 1.018 336 S CB 1.797 65.038 63.200 0.067 0.000 1.021 336 S HN 0.727 nan 8.310 nan 0.000 0.483 337 R N 3.395 123.929 120.500 0.056 0.000 2.115 337 R HA 0.009 4.349 4.340 -0.000 0.000 0.230 337 R C 2.094 178.422 176.300 0.048 0.000 1.111 337 R CA 1.715 57.843 56.100 0.048 0.000 0.976 337 R CB -0.623 29.701 30.300 0.040 0.000 0.870 337 R HN 0.770 nan 8.270 nan 0.000 0.445 338 A N 1.561 124.407 122.820 0.044 0.000 1.865 338 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 338 A C 2.034 179.649 177.584 0.051 0.000 1.191 338 A CA 1.501 53.562 52.037 0.040 0.000 0.623 338 A CB -0.502 18.518 19.000 0.033 0.000 0.826 338 A HN 0.288 nan 8.150 nan 0.000 0.444 339 I N 0.020 120.628 120.570 0.063 0.000 2.226 339 I HA -0.252 3.918 4.170 -0.000 0.000 0.245 339 I C 2.956 179.135 176.117 0.103 0.000 1.100 339 I CA 1.500 62.848 61.300 0.079 0.000 1.374 339 I CB -1.805 36.246 38.000 0.086 0.000 1.057 339 I HN 0.369 nan 8.210 nan 0.000 0.413 340 A N 0.640 123.526 122.820 0.110 0.000 1.883 340 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 340 A C 2.267 179.941 177.584 0.149 0.000 1.186 340 A CA 1.790 53.921 52.037 0.156 0.000 0.624 340 A CB -0.755 18.297 19.000 0.087 0.000 0.822 340 A HN 0.474 nan 8.150 nan 0.000 0.444 341 E N -0.564 119.687 120.200 0.085 0.000 2.268 341 E HA -0.026 4.324 4.350 -0.000 0.000 0.195 341 E C 1.399 178.021 176.600 0.038 0.000 0.995 341 E CA 0.440 56.875 56.400 0.057 0.000 0.836 341 E CB -0.150 29.571 29.700 0.036 0.000 0.763 341 E HN 0.613 nan 8.360 nan 0.000 0.491 342 L N -0.640 120.607 121.223 0.039 0.000 2.591 342 L HA 0.120 4.460 4.340 -0.000 0.000 0.228 342 L C 1.340 178.196 176.870 -0.025 0.000 1.133 342 L CA 0.347 55.191 54.840 0.006 0.000 0.880 342 L CB 0.028 42.098 42.059 0.018 0.000 1.033 342 L HN 0.294 nan 8.230 nan 0.000 0.450 343 G N 0.510 109.316 108.800 0.009 0.000 2.162 343 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.260 343 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.260 343 G C 0.324 175.145 174.900 -0.131 0.000 0.976 343 G CA -0.323 44.716 45.100 -0.101 0.000 0.655 343 G HN 0.193 nan 8.290 nan 0.000 0.533 344 I N 1.840 122.443 120.570 0.055 0.000 2.329 344 I HA 0.280 4.450 4.170 -0.000 0.000 0.295 344 I C -0.072 176.158 176.117 0.187 0.000 1.109 344 I CA -0.692 60.679 61.300 0.118 0.000 1.297 344 I CB -0.695 37.380 38.000 0.126 0.000 1.433 344 I HN -0.004 nan 8.210 nan 0.000 0.509 345 Y N 7.701 127.956 120.300 -0.074 0.000 2.342 345 Y HA 0.481 5.031 4.550 -0.000 0.000 0.334 345 Y C -1.984 173.718 175.900 -0.330 0.000 1.067 345 Y CA -4.053 53.916 58.100 -0.219 0.000 1.128 345 Y CB 0.489 38.767 38.460 -0.303 0.000 1.200 345 Y HN 0.389 nan 8.280 nan 0.000 0.464 346 P HA 0.198 nan 4.420 nan 0.000 0.277 346 P C -0.308 177.020 177.300 0.047 0.000 1.240 346 P CA -0.452 62.581 63.100 -0.111 0.000 0.798 346 P CB 1.117 32.780 31.700 -0.062 0.000 0.979 347 A N 2.799 125.658 122.820 0.064 0.000 2.604 347 A HA 0.199 4.519 4.320 -0.000 0.000 0.248 347 A C 0.477 178.116 177.584 0.092 0.000 1.466 347 A CA -0.201 51.894 52.037 0.096 0.000 1.222 347 A CB -1.304 17.747 19.000 0.084 0.000 0.945 347 A HN 0.361 nan 8.150 nan 0.000 0.600 348 V N 1.245 121.216 119.914 0.096 0.000 2.508 348 V HA 0.034 4.154 4.120 -0.000 0.000 0.281 348 V C 0.419 176.566 176.094 0.089 0.000 1.041 348 V CA -0.462 61.900 62.300 0.104 0.000 1.016 348 V CB 1.104 32.994 31.823 0.111 0.000 0.984 348 V HN 0.543 nan 8.190 nan 0.000 0.478 349 D N 8.063 128.515 120.400 0.086 0.000 2.338 349 D HA 0.142 4.782 4.640 -0.000 0.000 0.255 349 D C -1.393 174.943 176.300 0.059 0.000 1.237 349 D CA -1.533 52.508 54.000 0.068 0.000 0.883 349 D CB 1.916 42.750 40.800 0.057 0.000 1.087 349 D HN 0.311 nan 8.370 nan 0.000 0.485 350 P HA -0.004 nan 4.420 nan 0.000 0.231 350 P C 1.365 178.677 177.300 0.021 0.000 1.168 350 P CA 0.399 63.519 63.100 0.032 0.000 0.779 350 P CB 0.571 32.286 31.700 0.025 0.000 0.844 351 L N -1.269 119.969 121.223 0.025 0.000 2.515 351 L HA 0.157 4.497 4.340 -0.000 0.000 0.223 351 L C 1.927 178.805 176.870 0.014 0.000 1.079 351 L CA 0.692 55.541 54.840 0.016 0.000 0.857 351 L CB -0.374 41.695 42.059 0.017 0.000 1.050 351 L HN -0.109 nan 8.230 nan 0.000 0.476 352 D N -0.365 120.046 120.400 0.017 0.000 2.240 352 D HA -0.004 4.636 4.640 -0.000 0.000 0.206 352 D C 0.744 177.050 176.300 0.010 0.000 0.963 352 D CA 0.271 54.273 54.000 0.002 0.000 0.863 352 D CB 0.486 41.283 40.800 -0.004 0.000 0.973 352 D HN 0.025 nan 8.370 nan 0.000 0.501 353 S N 0.023 115.748 115.700 0.042 0.000 2.564 353 S HA 0.391 4.861 4.470 -0.000 0.000 0.278 353 S C 0.159 174.798 174.600 0.065 0.000 1.333 353 S CA -0.324 57.919 58.200 0.071 0.000 1.048 353 S CB 1.256 64.520 63.200 0.106 0.000 0.900 353 S HN 0.316 nan 8.310 nan 0.000 0.505 354 T N -0.867 113.734 114.554 0.078 0.000 2.906 354 T HA 0.729 5.079 4.350 -0.000 0.000 0.295 354 T C -0.610 174.142 174.700 0.086 0.000 1.075 354 T CA -0.863 61.280 62.100 0.072 0.000 1.005 354 T CB 1.824 70.730 68.868 0.063 0.000 1.136 354 T HN 0.390 nan 8.240 nan 0.000 0.498 355 S N -0.885 114.862 115.700 0.078 0.000 2.538 355 S HA 0.411 4.881 4.470 -0.000 0.000 0.288 355 S C 0.913 175.547 174.600 0.057 0.000 1.108 355 S CA -0.890 57.354 58.200 0.074 0.000 0.971 355 S CB 1.451 64.702 63.200 0.085 0.000 1.041 355 S HN 0.729 nan 8.310 nan 0.000 0.483 356 R N 2.143 122.668 120.500 0.043 0.000 2.148 356 R HA 0.007 4.347 4.340 -0.000 0.000 0.227 356 R C 1.630 177.940 176.300 0.017 0.000 1.103 356 R CA 1.650 57.768 56.100 0.030 0.000 0.983 356 R CB -0.435 29.878 30.300 0.020 0.000 0.874 356 R HN 0.810 nan 8.270 nan 0.000 0.451 357 I N -2.588 117.990 120.570 0.013 0.000 3.812 357 I HA 0.134 4.303 4.170 -0.000 0.000 0.320 357 I C 0.679 176.785 176.117 -0.018 0.000 1.276 357 I CA -0.002 61.293 61.300 -0.008 0.000 1.164 357 I CB 0.183 38.177 38.000 -0.009 0.000 1.009 357 I HN -0.105 nan 8.210 nan 0.000 0.431 358 M N 3.385 122.997 119.600 0.019 0.000 3.254 358 M HA 0.215 4.695 4.480 -0.000 0.000 0.257 358 M C -0.924 175.453 176.300 0.127 0.000 1.490 358 M CA 0.801 56.139 55.300 0.064 0.000 1.620 358 M CB -1.277 31.380 32.600 0.095 0.000 1.157 358 M HN 0.322 nan 8.290 nan 0.000 0.541 359 D N 4.366 124.768 120.400 0.003 0.000 2.990 359 D HA 0.347 4.987 4.640 -0.000 0.000 0.227 359 D C -2.312 173.810 176.300 -0.297 0.000 1.249 359 D CA -1.210 52.667 54.000 -0.205 0.000 0.891 359 D CB 2.655 43.377 40.800 -0.129 0.000 1.647 359 D HN 0.101 nan 8.370 nan 0.000 0.530 360 P HA -0.088 nan 4.420 nan 0.000 0.219 360 P C 0.650 177.849 177.300 -0.170 0.000 1.146 360 P CA 0.894 63.789 63.100 -0.341 0.000 0.808 360 P CB 0.501 31.929 31.700 -0.453 0.000 0.779 361 N N -0.995 117.600 118.700 -0.175 0.000 2.512 361 N HA 0.030 4.770 4.740 -0.000 0.000 0.183 361 N C 1.609 177.076 175.510 -0.070 0.000 1.073 361 N CA 0.689 53.679 53.050 -0.100 0.000 0.911 361 N CB -0.325 38.107 38.487 -0.091 0.000 0.964 361 N HN 0.251 nan 8.380 nan 0.000 0.447 362 I N -1.492 119.031 120.570 -0.079 0.000 3.366 362 I HA 0.080 4.250 4.170 -0.000 0.000 0.267 362 I C 0.750 176.838 176.117 -0.048 0.000 1.149 362 I CA -0.023 61.244 61.300 -0.055 0.000 1.436 362 I CB -0.041 37.926 38.000 -0.055 0.000 1.379 362 I HN -0.121 nan 8.210 nan 0.000 0.460 363 V N -0.470 119.399 119.914 -0.074 0.000 3.503 363 V HA 0.689 4.809 4.120 -0.000 0.000 0.294 363 V C 0.832 176.929 176.094 0.006 0.000 1.102 363 V CA -0.656 61.597 62.300 -0.078 0.000 0.979 363 V CB -0.074 31.552 31.823 -0.328 0.000 1.240 363 V HN 0.194 nan 8.190 nan 0.000 0.444 364 G N -0.274 108.586 108.800 0.100 0.000 2.562 364 G HA2 0.220 4.180 3.960 -0.000 0.000 0.233 364 G HA3 0.220 4.180 3.960 -0.000 0.000 0.233 364 G C 0.853 175.838 174.900 0.142 0.000 1.266 364 G CA 0.470 45.655 45.100 0.143 0.000 0.852 364 G HN 1.109 nan 8.290 nan 0.000 0.581 365 S N -0.449 115.319 115.700 0.112 0.000 2.453 365 S HA -0.067 4.403 4.470 -0.000 0.000 0.231 365 S C 1.918 176.626 174.600 0.180 0.000 1.005 365 S CA 1.500 59.778 58.200 0.130 0.000 0.949 365 S CB -0.123 63.124 63.200 0.079 0.000 0.774 365 S HN 0.738 nan 8.310 nan 0.000 0.510 366 E N -0.607 119.689 120.200 0.160 0.000 2.102 366 E HA -0.084 4.266 4.350 -0.000 0.000 0.190 366 E C 1.758 178.469 176.600 0.186 0.000 0.971 366 E CA 0.391 56.879 56.400 0.146 0.000 0.821 366 E CB -0.209 29.556 29.700 0.108 0.000 0.777 366 E HN 0.753 nan 8.360 nan 0.000 0.460 367 H N -1.039 118.092 119.070 0.102 0.000 2.319 367 H HA -0.233 4.323 4.556 -0.000 0.000 0.299 367 H C 2.074 177.469 175.328 0.112 0.000 1.092 367 H CA 1.915 58.022 56.048 0.098 0.000 1.302 367 H CB -0.052 29.768 29.762 0.097 0.000 1.373 367 H HN 0.225 nan 8.280 nan 0.000 0.497 368 Y N 1.324 121.740 120.300 0.193 0.000 2.181 368 Y HA -0.207 4.343 4.550 -0.000 0.000 0.288 368 Y C 1.952 177.903 175.900 0.086 0.000 1.146 368 Y CA 1.867 60.024 58.100 0.095 0.000 1.164 368 Y CB -0.200 38.280 38.460 0.033 0.000 0.982 368 Y HN 0.311 nan 8.280 nan 0.000 0.515 369 D N -0.770 119.669 120.400 0.066 0.000 2.224 369 D HA -0.114 4.526 4.640 -0.000 0.000 0.205 369 D C 2.335 178.605 176.300 -0.050 0.000 0.965 369 D CA 1.156 55.127 54.000 -0.048 0.000 0.852 369 D CB 0.035 40.874 40.800 0.065 0.000 0.947 369 D HN 0.326 nan 8.370 nan 0.000 0.494 370 V N 1.578 121.499 119.914 0.012 0.000 2.307 370 V HA -0.197 3.923 4.120 -0.000 0.000 0.245 370 V C 2.611 178.681 176.094 -0.041 0.000 1.045 370 V CA 1.745 64.053 62.300 0.013 0.000 1.024 370 V CB -0.738 31.112 31.823 0.046 0.000 0.651 370 V HN 0.143 nan 8.190 nan 0.000 0.449 371 A N -0.113 122.681 122.820 -0.043 0.000 1.877 371 A HA -0.205 4.115 4.320 -0.000 0.000 0.216 371 A C 2.368 179.865 177.584 -0.146 0.000 1.186 371 A CA 1.551 53.537 52.037 -0.084 0.000 0.620 371 A CB -0.493 18.514 19.000 0.011 0.000 0.822 371 A HN 0.379 nan 8.150 nan 0.000 0.443 372 R N -0.696 119.653 120.500 -0.251 0.000 2.096 372 R HA -0.119 4.221 4.340 -0.000 0.000 0.235 372 R C 2.363 178.579 176.300 -0.141 0.000 1.127 372 R CA 1.349 57.289 56.100 -0.267 0.000 0.968 372 R CB -1.211 28.810 30.300 -0.465 0.000 0.861 372 R HN 0.556 nan 8.270 nan 0.000 0.440 373 G N 0.252 108.989 108.800 -0.105 0.000 2.402 373 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.216 373 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.216 373 G C 1.587 176.468 174.900 -0.032 0.000 1.162 373 G CA 0.609 45.680 45.100 -0.049 0.000 0.777 373 G HN 0.146 nan 8.290 nan 0.000 0.539 374 V N 0.551 120.438 119.914 -0.046 0.000 2.287 374 V HA -0.287 3.833 4.120 -0.000 0.000 0.248 374 V C 2.918 178.986 176.094 -0.042 0.000 1.053 374 V CA 2.344 64.615 62.300 -0.048 0.000 1.027 374 V CB -0.658 31.071 31.823 -0.157 0.000 0.646 374 V HN 0.425 nan 8.190 nan 0.000 0.447 375 Q N -0.394 119.370 119.800 -0.060 0.000 2.030 375 Q HA -0.298 4.042 4.340 -0.000 0.000 0.204 375 Q C 2.389 178.379 176.000 -0.015 0.000 0.986 375 Q CA 2.079 57.859 55.803 -0.038 0.000 0.843 375 Q CB -0.270 28.437 28.738 -0.053 0.000 0.904 375 Q HN 0.443 nan 8.270 nan 0.000 0.420 376 K N 1.161 121.548 120.400 -0.023 0.000 2.063 376 K HA -0.136 4.184 4.320 -0.000 0.000 0.208 376 K C 1.652 178.261 176.600 0.014 0.000 1.048 376 K CA 1.205 57.488 56.287 -0.007 0.000 0.928 376 K CB -0.462 32.029 32.500 -0.015 0.000 0.713 376 K HN 0.258 nan 8.250 nan 0.000 0.442 377 I N -0.184 120.395 120.570 0.015 0.000 2.353 377 I HA -0.182 3.988 4.170 -0.000 0.000 0.248 377 I C 1.726 177.885 176.117 0.070 0.000 1.119 377 I CA 0.929 62.248 61.300 0.031 0.000 1.417 377 I CB 0.105 38.112 38.000 0.011 0.000 1.078 377 I HN 0.183 nan 8.210 nan 0.000 0.421 378 L N -0.043 121.219 121.223 0.064 0.000 2.156 378 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 378 L C 2.471 179.409 176.870 0.114 0.000 1.095 378 L CA 1.142 56.049 54.840 0.111 0.000 0.770 378 L CB -0.385 41.718 42.059 0.074 0.000 0.914 378 L HN 0.305 nan 8.230 nan 0.000 0.439 379 Q N -0.396 119.441 119.800 0.062 0.000 2.123 379 Q HA -0.188 4.152 4.340 -0.000 0.000 0.199 379 Q C 1.660 177.686 176.000 0.044 0.000 0.966 379 Q CA 1.352 57.178 55.803 0.039 0.000 0.845 379 Q CB 0.069 28.817 28.738 0.018 0.000 0.907 379 Q HN 0.390 nan 8.270 nan 0.000 0.439 380 D N -0.497 119.939 120.400 0.061 0.000 2.183 380 D HA -0.143 4.497 4.640 -0.000 0.000 0.203 380 D C 1.481 177.843 176.300 0.103 0.000 0.969 380 D CA 0.717 54.755 54.000 0.062 0.000 0.842 380 D CB -0.148 40.685 40.800 0.054 0.000 0.957 380 D HN 0.214 nan 8.370 nan 0.000 0.484 381 Y N 1.829 122.126 120.300 -0.006 0.000 2.207 381 Y HA -0.173 4.377 4.550 -0.000 0.000 0.287 381 Y C 2.105 178.002 175.900 -0.005 0.000 1.156 381 Y CA 1.410 59.507 58.100 -0.005 0.000 1.182 381 Y CB -0.081 38.376 38.460 -0.005 0.000 0.979 381 Y HN -0.169 nan 8.280 nan 0.000 0.521 382 K N -0.676 119.668 120.400 -0.093 0.000 2.097 382 K HA -0.118 4.202 4.320 -0.000 0.000 0.205 382 K C 2.251 178.772 176.600 -0.132 0.000 1.050 382 K CA 1.332 57.517 56.287 -0.170 0.000 0.938 382 K CB -0.101 32.358 32.500 -0.069 0.000 0.718 382 K HN 0.249 nan 8.250 nan 0.000 0.442 383 S N 1.178 116.837 115.700 -0.068 0.000 2.356 383 S HA -0.095 4.375 4.470 -0.000 0.000 0.223 383 S C 1.682 176.246 174.600 -0.059 0.000 1.032 383 S CA 1.085 59.256 58.200 -0.048 0.000 1.005 383 S CB -0.179 63.011 63.200 -0.017 0.000 0.867 383 S HN 0.263 nan 8.310 nan 0.000 0.449 384 L N 1.326 122.514 121.223 -0.059 0.000 2.465 384 L HA -0.024 4.316 4.340 -0.000 0.000 0.224 384 L C 2.290 179.104 176.870 -0.094 0.000 1.145 384 L CA 0.667 55.479 54.840 -0.047 0.000 0.834 384 L CB -0.497 41.569 42.059 0.012 0.000 0.944 384 L HN 0.343 nan 8.230 nan 0.000 0.451 385 Q N -0.117 119.579 119.800 -0.174 0.000 2.488 385 Q HA -0.147 4.193 4.340 -0.000 0.000 0.211 385 Q C 0.968 176.903 176.000 -0.108 0.000 0.967 385 Q CA 0.860 56.547 55.803 -0.194 0.000 0.926 385 Q CB 0.107 28.666 28.738 -0.299 0.000 0.992 385 Q HN 0.537 nan 8.270 nan 0.000 0.506 386 D N 0.086 120.439 120.400 -0.078 0.000 2.240 386 D HA -0.010 4.630 4.640 -0.000 0.000 0.206 386 D C 1.233 177.511 176.300 -0.036 0.000 0.963 386 D CA 0.633 54.602 54.000 -0.051 0.000 0.863 386 D CB 0.230 41.005 40.800 -0.042 0.000 0.973 386 D HN 0.231 nan 8.370 nan 0.000 0.501 387 I N 0.326 120.876 120.570 -0.034 0.000 3.564 387 I HA -0.022 4.148 4.170 -0.000 0.000 0.294 387 I C 1.153 177.261 176.117 -0.014 0.000 1.289 387 I CA 0.176 61.464 61.300 -0.019 0.000 1.325 387 I CB 0.074 38.066 38.000 -0.013 0.000 1.039 387 I HN -0.033 nan 8.210 nan 0.000 0.474 388 I N 1.396 121.952 120.570 -0.022 0.000 2.685 388 I HA 0.064 4.234 4.170 -0.000 0.000 0.251 388 I C 2.407 178.517 176.117 -0.012 0.000 1.102 388 I CA 0.835 62.128 61.300 -0.013 0.000 1.442 388 I CB -1.101 36.890 38.000 -0.016 0.000 1.194 388 I HN 0.119 nan 8.210 nan 0.000 0.448 389 A N 0.448 123.256 122.820 -0.020 0.000 2.268 389 A HA 0.154 4.474 4.320 -0.000 0.000 0.221 389 A C 1.625 179.201 177.584 -0.013 0.000 1.287 389 A CA 0.687 52.714 52.037 -0.016 0.000 0.902 389 A CB -0.493 18.494 19.000 -0.022 0.000 0.877 389 A HN 0.268 nan 8.150 nan 0.000 0.487 390 I N -2.539 118.024 120.570 -0.011 0.000 3.814 390 I HA 0.136 4.306 4.170 -0.000 0.000 0.264 390 I C 1.595 177.709 176.117 -0.005 0.000 1.145 390 I CA 0.736 62.031 61.300 -0.009 0.000 1.375 390 I CB -0.512 37.482 38.000 -0.011 0.000 1.638 390 I HN 0.255 nan 8.210 nan 0.000 0.432 391 L N 0.558 121.778 121.223 -0.004 0.000 2.616 391 L HA 0.414 4.754 4.340 -0.000 0.000 0.229 391 L C 0.701 177.572 176.870 0.002 0.000 1.110 391 L CA 0.328 55.167 54.840 -0.001 0.000 0.884 391 L CB 0.251 42.310 42.059 -0.000 0.000 1.115 391 L HN 0.427 nan 8.230 nan 0.000 0.481 392 G N 0.557 109.359 108.800 0.002 0.000 2.755 392 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.686 392 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.686 392 G C -0.139 174.767 174.900 0.011 0.000 1.427 392 G CA -0.352 44.751 45.100 0.006 0.000 0.873 392 G HN 0.078 nan 8.290 nan 0.000 0.580 393 M N 0.957 120.566 119.600 0.016 0.000 3.484 393 M HA 0.206 4.686 4.480 -0.000 0.000 0.196 393 M C 0.635 176.947 176.300 0.021 0.000 1.359 393 M CA 0.726 56.040 55.300 0.024 0.000 1.510 393 M CB -0.485 32.136 32.600 0.035 0.000 1.284 393 M HN 0.581 nan 8.290 nan 0.000 0.463 394 D N -1.297 119.112 120.400 0.015 0.000 2.348 394 D HA -0.002 4.638 4.640 -0.000 0.000 0.283 394 D C 1.190 177.496 176.300 0.011 0.000 1.096 394 D CA 0.077 54.085 54.000 0.013 0.000 0.863 394 D CB 0.548 41.354 40.800 0.011 0.000 1.465 394 D HN 0.266 nan 8.370 nan 0.000 0.515 395 E N 0.579 120.785 120.200 0.010 0.000 2.472 395 E HA -0.003 4.347 4.350 -0.000 0.000 0.200 395 E C 0.374 176.980 176.600 0.010 0.000 1.046 395 E CA 0.318 56.722 56.400 0.008 0.000 0.871 395 E CB 0.254 29.957 29.700 0.006 0.000 0.806 395 E HN 0.393 nan 8.360 nan 0.000 0.533 396 L N 1.731 122.962 121.223 0.013 0.000 2.461 396 L HA 0.006 4.346 4.340 -0.000 0.000 0.272 396 L C 1.131 178.009 176.870 0.014 0.000 1.197 396 L CA -0.341 54.508 54.840 0.016 0.000 0.836 396 L CB 0.322 42.395 42.059 0.023 0.000 1.105 396 L HN -0.057 nan 8.230 nan 0.000 0.477 397 S N 0.576 116.283 115.700 0.013 0.000 2.608 397 S HA 0.096 4.566 4.470 -0.000 0.000 0.261 397 S C 0.851 175.458 174.600 0.012 0.000 1.314 397 S CA -0.714 57.492 58.200 0.011 0.000 0.992 397 S CB 0.948 64.154 63.200 0.010 0.000 0.935 397 S HN 0.591 nan 8.310 nan 0.000 0.564 398 E N 0.631 120.838 120.200 0.010 0.000 2.153 398 E HA -0.153 4.197 4.350 -0.000 0.000 0.194 398 E C 1.841 178.446 176.600 0.010 0.000 0.988 398 E CA 1.111 57.516 56.400 0.010 0.000 0.811 398 E CB -0.350 29.355 29.700 0.008 0.000 0.746 398 E HN 0.895 nan 8.360 nan 0.000 0.466 399 E N 0.736 120.942 120.200 0.010 0.000 2.072 399 E HA -0.182 4.168 4.350 -0.000 0.000 0.191 399 E C 0.914 177.523 176.600 0.014 0.000 0.985 399 E CA 1.211 57.617 56.400 0.011 0.000 0.801 399 E CB 0.170 29.876 29.700 0.010 0.000 0.750 399 E HN 0.080 nan 8.360 nan 0.000 0.452 400 D N 0.008 120.419 120.400 0.018 0.000 2.234 400 D HA -0.038 4.602 4.640 -0.000 0.000 0.205 400 D C 1.590 177.910 176.300 0.033 0.000 0.962 400 D CA 0.703 54.720 54.000 0.028 0.000 0.855 400 D CB 0.087 40.903 40.800 0.027 0.000 0.951 400 D HN 0.091 nan 8.370 nan 0.000 0.500 401 K N -0.133 120.281 120.400 0.024 0.000 2.155 401 K HA -0.024 4.296 4.320 -0.000 0.000 0.203 401 K C 1.719 178.324 176.600 0.008 0.000 1.052 401 K CA 0.260 56.559 56.287 0.021 0.000 0.948 401 K CB 0.052 32.562 32.500 0.016 0.000 0.728 401 K HN 0.034 nan 8.250 nan 0.000 0.448 402 L N 1.116 122.341 121.223 0.004 0.000 2.056 402 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 402 L C 2.372 179.227 176.870 -0.025 0.000 1.078 402 L CA 1.937 56.771 54.840 -0.009 0.000 0.749 402 L CB -0.766 41.291 42.059 -0.004 0.000 0.901 402 L HN 0.285 nan 8.230 nan 0.000 0.433 403 T N -4.838 109.711 114.554 -0.009 0.000 2.904 403 T HA -0.097 4.252 4.350 -0.000 0.000 0.267 403 T C 1.892 176.563 174.700 -0.049 0.000 1.059 403 T CA 1.189 63.280 62.100 -0.015 0.000 1.137 403 T CB -0.875 68.006 68.868 0.022 0.000 0.879 403 T HN 0.094 nan 8.240 nan 0.000 0.467 404 V N 2.026 121.932 119.914 -0.012 0.000 2.261 404 V HA -0.174 3.946 4.120 -0.000 0.000 0.246 404 V C 3.075 179.044 176.094 -0.209 0.000 1.047 404 V CA 2.191 64.453 62.300 -0.063 0.000 1.015 404 V CB -1.013 30.867 31.823 0.095 0.000 0.642 404 V HN 0.525 nan 8.190 nan 0.000 0.446 405 S N -0.443 115.188 115.700 -0.115 0.000 2.368 405 S HA -0.208 4.262 4.470 -0.000 0.000 0.225 405 S C 2.090 176.579 174.600 -0.185 0.000 1.030 405 S CA 1.609 59.735 58.200 -0.123 0.000 0.999 405 S CB -0.308 62.853 63.200 -0.064 0.000 0.844 405 S HN 0.528 nan 8.310 nan 0.000 0.459 406 R N 1.112 121.508 120.500 -0.174 0.000 2.073 406 R HA 0.128 4.468 4.340 -0.000 0.000 0.229 406 R C 2.655 178.807 176.300 -0.246 0.000 1.120 406 R CA 1.069 57.047 56.100 -0.203 0.000 0.967 406 R CB -0.507 29.718 30.300 -0.125 0.000 0.862 406 R HN 0.388 nan 8.270 nan 0.000 0.436 407 A N 1.348 124.007 122.820 -0.268 0.000 1.883 407 A HA -0.193 4.126 4.320 -0.000 0.000 0.217 407 A C 2.075 179.426 177.584 -0.388 0.000 1.186 407 A CA 1.388 53.231 52.037 -0.324 0.000 0.624 407 A CB -0.389 18.329 19.000 -0.470 0.000 0.822 407 A HN 0.207 nan 8.150 nan 0.000 0.444 408 R N -0.383 119.817 120.500 -0.500 0.000 2.092 408 R HA -0.081 4.259 4.340 -0.000 0.000 0.231 408 R C 2.148 178.314 176.300 -0.223 0.000 1.119 408 R CA 1.572 57.462 56.100 -0.350 0.000 0.970 408 R CB -0.221 29.901 30.300 -0.298 0.000 0.864 408 R HN 0.519 nan 8.270 nan 0.000 0.440 409 K N 0.270 120.476 120.400 -0.323 0.000 2.103 409 K HA -0.061 4.259 4.320 -0.000 0.000 0.204 409 K C 1.986 178.317 176.600 -0.448 0.000 1.052 409 K CA 1.023 56.980 56.287 -0.550 0.000 0.945 409 K CB -0.034 31.854 32.500 -1.020 0.000 0.722 409 K HN 0.116 nan 8.250 nan 0.000 0.443 410 I N 1.512 121.933 120.570 -0.249 0.000 2.202 410 I HA -0.307 3.863 4.170 -0.000 0.000 0.242 410 I C 2.473 178.724 176.117 0.223 0.000 1.091 410 I CA 1.368 62.715 61.300 0.077 0.000 1.368 410 I CB -0.146 37.941 38.000 0.145 0.000 1.058 410 I HN 0.193 nan 8.210 nan 0.000 0.410 411 Q N 0.184 120.035 119.800 0.086 0.000 2.045 411 Q HA -0.285 4.055 4.340 -0.000 0.000 0.206 411 Q C 2.403 178.495 176.000 0.154 0.000 0.991 411 Q CA 1.888 57.757 55.803 0.110 0.000 0.851 411 Q CB -0.200 28.570 28.738 0.053 0.000 0.911 411 Q HN 0.392 nan 8.270 nan 0.000 0.418 412 R N -0.573 120.012 120.500 0.142 0.000 2.092 412 R HA -0.096 4.244 4.340 -0.000 0.000 0.231 412 R C 1.884 178.345 176.300 0.268 0.000 1.119 412 R CA 0.972 57.215 56.100 0.240 0.000 0.970 412 R CB -0.221 30.226 30.300 0.245 0.000 0.864 412 R HN 0.179 nan 8.270 nan 0.000 0.440 413 F N 0.573 120.570 119.950 0.077 0.000 2.365 413 F HA -0.015 4.512 4.527 -0.000 0.000 0.300 413 F C 1.351 177.236 175.800 0.141 0.000 1.090 413 F CA 0.988 58.996 58.000 0.012 0.000 1.408 413 F CB 0.124 38.943 39.000 -0.302 0.000 1.060 413 F HN -0.056 nan 8.300 nan 0.000 0.534 414 L N -0.408 120.982 121.223 0.279 0.000 2.478 414 L HA -0.026 4.314 4.340 -0.000 0.000 0.223 414 L C 1.436 178.337 176.870 0.053 0.000 1.140 414 L CA 0.271 55.254 54.840 0.237 0.000 0.842 414 L CB -0.778 41.420 42.059 0.232 0.000 0.953 414 L HN 0.109 nan 8.230 nan 0.000 0.452 415 S N -0.366 115.337 115.700 0.004 0.000 2.593 415 S HA 0.313 4.783 4.470 -0.000 0.000 0.269 415 S C -0.302 174.192 174.600 -0.177 0.000 1.334 415 S CA -0.491 57.656 58.200 -0.088 0.000 1.015 415 S CB 1.726 64.849 63.200 -0.128 0.000 0.912 415 S HN 0.271 nan 8.310 nan 0.000 0.541 416 Q N 0.658 120.336 119.800 -0.203 0.000 2.327 416 Q HA 0.397 4.737 4.340 -0.000 0.000 0.265 416 Q C -3.068 172.834 176.000 -0.164 0.000 0.993 416 Q CA -1.976 53.746 55.803 -0.134 0.000 0.885 416 Q CB 2.227 30.999 28.738 0.056 0.000 1.379 416 Q HN 0.537 nan 8.270 nan 0.000 0.408 417 P HA 0.112 nan 4.420 nan 0.000 0.276 417 P C -1.042 176.418 177.300 0.267 0.000 1.243 417 P CA 0.451 63.560 63.100 0.015 0.000 0.768 417 P CB 0.216 31.939 31.700 0.039 0.000 0.856 418 F N 1.433 121.399 119.950 0.026 0.000 2.399 418 F HA 0.208 4.735 4.527 -0.000 0.000 0.334 418 F C 2.221 178.041 175.800 0.033 0.000 1.097 418 F CA -0.764 57.252 58.000 0.027 0.000 1.076 418 F CB 2.055 41.074 39.000 0.032 0.000 1.162 418 F HN 0.377 nan 8.300 nan 0.000 0.495 419 Q N 1.688 121.585 119.800 0.160 0.000 2.124 419 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 419 Q C 1.636 177.690 176.000 0.089 0.000 0.977 419 Q CA 1.372 57.228 55.803 0.088 0.000 0.850 419 Q CB 0.055 28.809 28.738 0.026 0.000 0.901 419 Q HN 0.633 nan 8.270 nan 0.000 0.429 420 V N 0.430 120.399 119.914 0.093 0.000 2.913 420 V HA -0.047 4.073 4.120 -0.000 0.000 0.260 420 V C 1.097 177.264 176.094 0.123 0.000 1.098 420 V CA 1.399 63.747 62.300 0.080 0.000 1.121 420 V CB -0.084 31.767 31.823 0.047 0.000 0.714 420 V HN 0.450 nan 8.190 nan 0.000 0.487 421 A N -1.081 121.847 122.820 0.181 0.000 3.106 421 A HA 0.359 4.679 4.320 -0.000 0.000 0.306 421 A C 1.248 178.930 177.584 0.163 0.000 1.192 421 A CA -0.269 51.879 52.037 0.184 0.000 0.994 421 A CB -0.154 18.962 19.000 0.194 0.000 1.107 421 A HN 0.522 nan 8.150 nan 0.000 0.585 422 E N -0.801 119.470 120.200 0.118 0.000 2.170 422 E HA -0.071 4.279 4.350 -0.000 0.000 0.191 422 E C 1.621 178.268 176.600 0.078 0.000 0.981 422 E CA 0.871 57.330 56.400 0.097 0.000 0.830 422 E CB 0.122 29.861 29.700 0.065 0.000 0.775 422 E HN 0.487 nan 8.360 nan 0.000 0.470 423 V N 0.601 120.540 119.914 0.042 0.000 2.244 423 V HA -0.230 3.890 4.120 -0.000 0.000 0.244 423 V C 1.922 178.023 176.094 0.012 0.000 1.042 423 V CA 1.684 63.967 62.300 -0.028 0.000 1.006 423 V CB -0.550 31.188 31.823 -0.142 0.000 0.641 423 V HN 0.260 nan 8.190 nan 0.000 0.446 424 F N 0.896 120.868 119.950 0.037 0.000 2.216 424 F HA -0.202 4.325 4.527 -0.000 0.000 0.300 424 F C 2.623 178.455 175.800 0.055 0.000 1.085 424 F CA 1.614 59.636 58.000 0.038 0.000 1.326 424 F CB -0.150 38.868 39.000 0.030 0.000 1.027 424 F HN 0.380 nan 8.300 nan 0.000 0.497 425 T N -4.016 110.694 114.554 0.260 0.000 2.914 425 T HA 0.405 4.755 4.350 -0.000 0.000 0.240 425 T C 1.833 176.643 174.700 0.183 0.000 1.025 425 T CA 0.919 63.136 62.100 0.194 0.000 1.198 425 T CB 0.096 69.058 68.868 0.156 0.000 0.892 425 T HN 0.308 nan 8.240 nan 0.000 0.417 426 G N 0.569 109.472 108.800 0.172 0.000 2.428 426 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.199 426 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.199 426 G C -0.025 174.961 174.900 0.143 0.000 1.005 426 G CA -0.069 45.116 45.100 0.142 0.000 0.671 426 G HN 0.808 nan 8.290 nan 0.000 0.485 427 H N 0.198 119.289 119.070 0.035 0.000 2.771 427 H HA 0.582 5.138 4.556 -0.000 0.000 0.364 427 H C 0.662 176.005 175.328 0.025 0.000 1.133 427 H CA 0.299 56.358 56.048 0.018 0.000 1.423 427 H CB 1.094 30.855 29.762 -0.000 0.000 1.425 427 H HN 0.395 nan 8.280 nan 0.000 0.606 428 L N 1.467 122.737 121.223 0.078 0.000 2.350 428 L HA 0.361 4.700 4.340 -0.000 0.000 0.275 428 L C 0.766 177.685 176.870 0.082 0.000 1.099 428 L CA -0.249 54.625 54.840 0.056 0.000 0.808 428 L CB 0.649 42.713 42.059 0.009 0.000 1.149 428 L HN 0.747 nan 8.230 nan 0.000 0.442 429 G N 3.640 112.486 108.800 0.077 0.000 2.442 429 G HA2 0.266 4.226 3.960 -0.000 0.000 0.249 429 G HA3 0.266 4.226 3.960 -0.000 0.000 0.249 429 G C -0.849 174.090 174.900 0.065 0.000 1.263 429 G CA -0.491 44.663 45.100 0.091 0.000 0.846 429 G HN 0.449 nan 8.290 nan 0.000 0.555 430 K N 1.080 121.529 120.400 0.082 0.000 2.324 430 K HA 0.417 4.737 4.320 -0.000 0.000 0.253 430 K C -1.341 175.280 176.600 0.035 0.000 0.932 430 K CA -1.049 55.267 56.287 0.049 0.000 0.799 430 K CB 2.452 34.975 32.500 0.038 0.000 1.154 430 K HN 0.317 nan 8.250 nan 0.000 0.425 431 L N 3.432 124.658 121.223 0.006 0.000 2.401 431 L HA 0.324 4.664 4.340 -0.000 0.000 0.263 431 L C -1.294 175.571 176.870 -0.007 0.000 1.004 431 L CA -0.852 53.980 54.840 -0.014 0.000 0.881 431 L CB 1.226 43.267 42.059 -0.029 0.000 1.219 431 L HN 0.279 nan 8.230 nan 0.000 0.441 432 V N 6.721 126.634 119.914 -0.001 0.000 2.461 432 V HA 0.425 4.545 4.120 -0.000 0.000 0.275 432 V C -1.815 174.285 176.094 0.009 0.000 1.047 432 V CA -1.299 61.005 62.300 0.006 0.000 0.955 432 V CB 0.702 32.527 31.823 0.003 0.000 0.988 432 V HN 0.659 nan 8.190 nan 0.000 0.471 433 P HA 0.084 nan 4.420 nan 0.000 0.269 433 P C 0.669 177.984 177.300 0.025 0.000 1.215 433 P CA -0.410 62.696 63.100 0.010 0.000 0.780 433 P CB 0.696 32.401 31.700 0.008 0.000 0.898 434 L N 3.141 124.379 121.223 0.025 0.000 2.083 434 L HA -0.139 4.201 4.340 -0.000 0.000 0.209 434 L C 1.937 178.817 176.870 0.017 0.000 1.083 434 L CA 2.011 56.868 54.840 0.028 0.000 0.752 434 L CB -0.858 41.232 42.059 0.051 0.000 0.899 434 L HN 0.262 nan 8.230 nan 0.000 0.433 435 K N -0.989 119.428 120.400 0.028 0.000 2.155 435 K HA -0.112 4.208 4.320 -0.000 0.000 0.203 435 K C 1.995 178.624 176.600 0.048 0.000 1.052 435 K CA 0.977 57.283 56.287 0.032 0.000 0.948 435 K CB 0.080 32.601 32.500 0.034 0.000 0.728 435 K HN 0.313 nan 8.250 nan 0.000 0.448 436 E N -0.127 120.107 120.200 0.057 0.000 2.107 436 E HA -0.100 4.250 4.350 -0.000 0.000 0.191 436 E C 1.953 178.633 176.600 0.133 0.000 0.982 436 E CA 1.119 57.569 56.400 0.082 0.000 0.809 436 E CB -0.116 29.625 29.700 0.069 0.000 0.756 436 E HN 0.250 nan 8.360 nan 0.000 0.459 437 T N 1.821 116.453 114.554 0.130 0.000 2.684 437 T HA -0.118 4.232 4.350 -0.000 0.000 0.267 437 T C 2.122 176.988 174.700 0.276 0.000 1.036 437 T CA 1.088 63.320 62.100 0.221 0.000 1.148 437 T CB -0.241 68.710 68.868 0.138 0.000 0.863 437 T HN 0.113 nan 8.240 nan 0.000 0.436 438 I N 0.575 121.207 120.570 0.103 0.000 2.226 438 I HA -0.191 3.979 4.170 -0.000 0.000 0.245 438 I C 2.607 178.803 176.117 0.131 0.000 1.100 438 I CA 1.351 62.685 61.300 0.058 0.000 1.374 438 I CB -0.297 37.664 38.000 -0.065 0.000 1.057 438 I HN 0.182 nan 8.210 nan 0.000 0.413 439 K N 0.993 121.462 120.400 0.114 0.000 1.985 439 K HA -0.137 4.183 4.320 -0.000 0.000 0.210 439 K C 2.180 178.841 176.600 0.101 0.000 1.047 439 K CA 1.606 57.954 56.287 0.101 0.000 0.932 439 K CB -0.592 31.958 32.500 0.083 0.000 0.716 439 K HN 0.343 nan 8.250 nan 0.000 0.439 440 G N 0.703 109.566 108.800 0.104 0.000 2.681 440 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.220 440 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.220 440 G C 1.347 176.105 174.900 -0.235 0.000 1.210 440 G CA 1.465 46.513 45.100 -0.088 0.000 0.783 440 G HN 0.321 nan 8.290 nan 0.000 0.609 441 F N 0.684 120.661 119.950 0.045 0.000 2.186 441 F HA -0.022 4.505 4.527 -0.000 0.000 0.299 441 F C 2.966 178.761 175.800 -0.009 0.000 1.090 441 F CA 1.617 59.626 58.000 0.015 0.000 1.307 441 F CB -0.279 38.772 39.000 0.085 0.000 1.019 441 F HN 0.201 nan 8.300 nan 0.000 0.489 442 Q N 0.190 120.102 119.800 0.186 0.000 2.135 442 Q HA -0.267 4.072 4.340 -0.000 0.000 0.204 442 Q C 1.996 178.043 176.000 0.078 0.000 0.981 442 Q CA 1.802 57.673 55.803 0.112 0.000 0.856 442 Q CB -0.071 28.724 28.738 0.094 0.000 0.902 442 Q HN 0.517 nan 8.270 nan 0.000 0.425 443 Q N -0.449 119.398 119.800 0.077 0.000 2.212 443 Q HA -0.010 4.330 4.340 -0.000 0.000 0.199 443 Q C 2.041 178.116 176.000 0.125 0.000 0.950 443 Q CA 0.856 56.725 55.803 0.110 0.000 0.863 443 Q CB 0.192 29.066 28.738 0.227 0.000 0.944 443 Q HN 0.462 nan 8.270 nan 0.000 0.465 444 I N 0.583 121.174 120.570 0.034 0.000 2.315 444 I HA -0.269 3.901 4.170 -0.000 0.000 0.248 444 I C 2.003 178.095 176.117 -0.041 0.000 1.117 444 I CA 1.024 62.287 61.300 -0.062 0.000 1.404 444 I CB -0.236 37.559 38.000 -0.343 0.000 1.071 444 I HN 0.177 nan 8.210 nan 0.000 0.419 445 L N 0.729 121.954 121.223 0.002 0.000 2.056 445 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 445 L C 2.878 179.754 176.870 0.010 0.000 1.078 445 L CA 1.298 56.146 54.840 0.012 0.000 0.749 445 L CB -0.671 41.412 42.059 0.041 0.000 0.901 445 L HN 0.228 nan 8.230 nan 0.000 0.433 446 A N -0.461 122.370 122.820 0.020 0.000 1.972 446 A HA 0.028 4.347 4.320 -0.000 0.000 0.219 446 A C 1.845 179.430 177.584 0.002 0.000 1.169 446 A CA 1.469 53.513 52.037 0.012 0.000 0.635 446 A CB -0.633 18.375 19.000 0.013 0.000 0.810 446 A HN 0.588 nan 8.150 nan 0.000 0.446 447 G N -1.353 107.449 108.800 0.003 0.000 2.148 447 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.203 447 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.203 447 G C 0.214 175.106 174.900 -0.013 0.000 0.993 447 G CA 0.405 45.505 45.100 0.000 0.000 0.661 447 G HN 0.557 nan 8.290 nan 0.000 0.518 448 E N -0.763 119.404 120.200 -0.055 0.000 2.485 448 E HA 0.231 4.581 4.350 -0.000 0.000 0.194 448 E C 0.408 176.698 176.600 -0.516 0.000 1.098 448 E CA 0.333 56.597 56.400 -0.226 0.000 0.878 448 E CB -0.025 29.508 29.700 -0.278 0.000 0.939 448 E HN 0.757 nan 8.360 nan 0.000 0.503 449 Y N -1.513 118.755 120.300 -0.054 0.000 2.888 449 Y HA 0.091 4.641 4.550 -0.000 0.000 0.260 449 Y C 0.832 176.624 175.900 -0.179 0.000 1.113 449 Y CA -0.522 57.474 58.100 -0.174 0.000 1.237 449 Y CB 0.779 39.264 38.460 0.042 0.000 1.307 449 Y HN -0.045 nan 8.280 nan 0.000 0.580 450 D N 0.266 120.662 120.400 -0.006 0.000 2.219 450 D HA -0.157 4.483 4.640 -0.000 0.000 0.205 450 D C 2.002 178.318 176.300 0.027 0.000 0.970 450 D CA 1.470 55.478 54.000 0.013 0.000 0.851 450 D CB -0.080 40.738 40.800 0.030 0.000 0.943 450 D HN 0.650 nan 8.370 nan 0.000 0.488 451 H N -0.476 118.633 119.070 0.065 0.000 2.524 451 H HA 0.076 4.632 4.556 -0.000 0.000 0.282 451 H C 0.900 176.274 175.328 0.076 0.000 1.016 451 H CA 0.090 56.168 56.048 0.050 0.000 1.270 451 H CB -0.082 29.691 29.762 0.019 0.000 1.394 451 H HN 0.108 nan 8.280 nan 0.000 0.568 452 L N 3.104 124.207 121.223 -0.201 0.000 2.399 452 L HA 0.272 4.612 4.340 -0.000 0.000 0.266 452 L C -1.865 175.052 176.870 0.078 0.000 1.114 452 L CA -2.038 52.773 54.840 -0.048 0.000 0.804 452 L CB 1.086 43.083 42.059 -0.104 0.000 1.146 452 L HN 0.090 nan 8.230 nan 0.000 0.451 453 P HA 0.024 nan 4.420 nan 0.000 0.274 453 P C 0.119 177.515 177.300 0.160 0.000 1.231 453 P CA -0.269 62.880 63.100 0.083 0.000 0.790 453 P CB 0.977 32.704 31.700 0.046 0.000 0.951 454 E N 1.110 121.390 120.200 0.133 0.000 2.077 454 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 454 E C 1.158 177.891 176.600 0.222 0.000 0.989 454 E CA 1.145 57.639 56.400 0.157 0.000 0.800 454 E CB 0.097 29.825 29.700 0.045 0.000 0.746 454 E HN 0.383 nan 8.360 nan 0.000 0.452 455 Q N -0.725 119.151 119.800 0.127 0.000 2.373 455 Q HA 0.066 4.406 4.340 -0.000 0.000 0.206 455 Q C 1.282 177.355 176.000 0.122 0.000 0.942 455 Q CA 0.433 56.307 55.803 0.118 0.000 0.953 455 Q CB 0.799 29.564 28.738 0.044 0.000 1.022 455 Q HN 0.268 nan 8.270 nan 0.000 0.502 456 A N -0.663 122.198 122.820 0.069 0.000 2.067 456 A HA -0.020 4.300 4.320 -0.000 0.000 0.217 456 A C 1.248 178.701 177.584 -0.219 0.000 1.156 456 A CA 0.536 52.489 52.037 -0.140 0.000 0.683 456 A CB -0.207 18.587 19.000 -0.343 0.000 0.808 456 A HN 0.246 nan 8.150 nan 0.000 0.455 457 F N -2.397 117.583 119.950 0.051 0.000 2.776 457 F HA 0.221 4.748 4.527 -0.000 0.000 0.300 457 F C 0.648 176.547 175.800 0.166 0.000 1.116 457 F CA -0.345 57.729 58.000 0.124 0.000 1.375 457 F CB -0.144 38.906 39.000 0.083 0.000 1.109 457 F HN 0.282 nan 8.300 nan 0.000 0.585 458 Y N 1.178 121.561 120.300 0.140 0.000 2.304 458 Y HA 0.328 4.878 4.550 -0.000 0.000 0.328 458 Y C 0.757 176.650 175.900 -0.012 0.000 1.123 458 Y CA -1.663 56.464 58.100 0.043 0.000 1.218 458 Y CB 0.419 38.884 38.460 0.008 0.000 1.207 458 Y HN 0.048 nan 8.280 nan 0.000 0.495 459 M N 5.371 124.530 119.600 -0.734 0.000 2.253 459 M HA -0.169 4.311 4.480 -0.000 0.000 0.199 459 M C -0.971 175.190 176.300 -0.232 0.000 0.342 459 M CA 1.016 55.950 55.300 -0.610 0.000 0.417 459 M CB -2.879 29.204 32.600 -0.861 0.000 1.338 459 M HN 0.418 nan 8.290 nan 0.000 0.920 460 V N -3.426 116.390 119.914 -0.164 0.000 3.103 460 V HA 1.062 5.182 4.120 -0.000 0.000 0.318 460 V C 0.915 176.928 176.094 -0.134 0.000 1.114 460 V CA -0.127 62.121 62.300 -0.087 0.000 1.020 460 V CB 1.581 33.389 31.823 -0.026 0.000 1.085 460 V HN 0.363 nan 8.190 nan 0.000 0.446 461 G N 0.534 109.287 108.800 -0.078 0.000 2.964 461 G HA2 0.418 4.378 3.960 -0.000 0.000 0.191 461 G HA3 0.418 4.378 3.960 -0.000 0.000 0.191 461 G C -2.164 172.681 174.900 -0.092 0.000 1.978 461 G CA -0.154 44.896 45.100 -0.084 0.000 0.861 461 G HN 0.761 nan 8.290 nan 0.000 0.584 462 P HA 0.188 nan 4.420 nan 0.000 0.274 462 P C 0.625 178.042 177.300 0.194 0.000 1.246 462 P CA -0.568 62.594 63.100 0.105 0.000 0.795 462 P CB 1.532 33.272 31.700 0.065 0.000 1.006 463 I N 0.567 121.281 120.570 0.240 0.000 2.530 463 I HA -0.236 3.934 4.170 -0.000 0.000 0.257 463 I C 1.774 177.838 176.117 -0.088 0.000 1.179 463 I CA 1.624 62.914 61.300 -0.016 0.000 1.440 463 I CB -0.494 37.357 38.000 -0.249 0.000 1.087 463 I HN 0.258 nan 8.210 nan 0.000 0.440 464 E N 0.500 120.700 120.200 -0.000 0.000 2.265 464 E HA -0.189 4.161 4.350 -0.000 0.000 0.196 464 E C 1.858 178.444 176.600 -0.025 0.000 0.996 464 E CA 0.980 57.379 56.400 -0.001 0.000 0.832 464 E CB -0.104 29.608 29.700 0.019 0.000 0.756 464 E HN 0.586 nan 8.360 nan 0.000 0.491 465 E N -0.751 119.434 120.200 -0.026 0.000 2.447 465 E HA 0.117 4.467 4.350 -0.000 0.000 0.195 465 E C 1.700 178.244 176.600 -0.093 0.000 1.028 465 E CA 0.435 56.811 56.400 -0.039 0.000 0.876 465 E CB 0.274 29.964 29.700 -0.017 0.000 0.885 465 E HN 0.216 nan 8.360 nan 0.000 0.500 466 A N 0.903 123.624 122.820 -0.165 0.000 1.968 466 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 466 A C 2.369 179.741 177.584 -0.354 0.000 1.169 466 A CA 0.717 52.522 52.037 -0.386 0.000 0.638 466 A CB -0.268 18.290 19.000 -0.737 0.000 0.812 466 A HN 0.084 nan 8.150 nan 0.000 0.446 467 V N -0.140 119.650 119.914 -0.208 0.000 2.323 467 V HA -0.181 3.939 4.120 -0.000 0.000 0.244 467 V C 3.034 179.094 176.094 -0.057 0.000 1.041 467 V CA 1.794 64.048 62.300 -0.077 0.000 1.025 467 V CB -1.261 30.578 31.823 0.026 0.000 0.656 467 V HN 0.561 nan 8.190 nan 0.000 0.451 468 A N -0.546 122.243 122.820 -0.052 0.000 1.972 468 A HA -0.245 4.075 4.320 -0.000 0.000 0.219 468 A C 2.340 179.899 177.584 -0.043 0.000 1.169 468 A CA 2.099 54.114 52.037 -0.036 0.000 0.635 468 A CB -0.425 18.558 19.000 -0.029 0.000 0.810 468 A HN 0.489 nan 8.150 nan 0.000 0.446 469 K N -0.786 119.575 120.400 -0.066 0.000 2.243 469 K HA 0.147 4.467 4.320 -0.000 0.000 0.201 469 K C 1.949 178.513 176.600 -0.059 0.000 1.051 469 K CA 0.757 57.010 56.287 -0.056 0.000 0.970 469 K CB -0.130 32.334 32.500 -0.059 0.000 0.755 469 K HN 0.395 nan 8.250 nan 0.000 0.465 470 A N 0.967 123.734 122.820 -0.089 0.000 2.067 470 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 470 A C 1.369 178.939 177.584 -0.023 0.000 1.156 470 A CA 1.173 53.169 52.037 -0.069 0.000 0.683 470 A CB -0.063 18.873 19.000 -0.107 0.000 0.808 470 A HN 0.221 nan 8.150 nan 0.000 0.455 471 D N -0.307 120.082 120.400 -0.018 0.000 2.137 471 D HA -0.064 4.576 4.640 -0.000 0.000 0.202 471 D C 1.697 177.994 176.300 -0.005 0.000 0.970 471 D CA 0.942 54.940 54.000 -0.003 0.000 0.837 471 D CB -0.167 40.632 40.800 -0.002 0.000 0.981 471 D HN 0.406 nan 8.370 nan 0.000 0.475 472 K N 0.328 120.722 120.400 -0.011 0.000 2.555 472 K HA 0.027 4.347 4.320 -0.000 0.000 0.193 472 K C 1.527 178.125 176.600 -0.003 0.000 1.032 472 K CA 0.218 56.500 56.287 -0.008 0.000 1.004 472 K CB 0.160 32.653 32.500 -0.012 0.000 0.804 472 K HN 0.128 nan 8.250 nan 0.000 0.496 473 L N -0.330 120.892 121.223 -0.002 0.000 2.575 473 L HA 0.231 4.571 4.340 -0.000 0.000 0.228 473 L C 0.660 177.534 176.870 0.007 0.000 1.075 473 L CA 0.130 54.973 54.840 0.004 0.000 0.867 473 L CB 0.039 42.101 42.059 0.005 0.000 1.097 473 L HN 0.109 nan 8.230 nan 0.000 0.485 474 A N 0.000 122.824 122.820 0.007 0.000 2.254 474 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 474 A CA 0.000 52.044 52.037 0.011 0.000 0.836 474 A CB 0.000 19.005 19.000 0.008 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486