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 1ohh_1_D DATA FIRST_RESID 9 DATA SEQUENCE TTGRIVAVIG AVVDVQFDEG LPPILNALEV QGRETRLVLE VAQHLGESTV DATA SEQUENCE RTIAMDGTEG LVRGQKVLDS GAPIRIPVGP ETLGRIMNVI GEPIDERGPI DATA SEQUENCE KTKQFAAIHA EAPEFVEMSV EQEILVTGIK VVDLLAPYAK GGKIGLFGGA DATA SEQUENCE GVGKTVLIME LINNVAKAHG GYSVFAGVGE RTREGNDLYH EMIESGVINL DATA SEQUENCE KDATSKVALV YGQMNEPPGA RARVALTGLT VAEYFRDQEG QDVLLFIDNI DATA SEQUENCE FRFTQAGSEV SALLGRIPSA VGYQPTLATD MGTMQERITT TKKGSITSVQ DATA SEQUENCE AIYVPADDLT DPAPATTFAH LDATTVLSRA IAELGIYPAV DPLDSTSRIM DATA SEQUENCE DPNIVGSEHY DVARGVQKIL QDYKSLQDII AILGMDELSE EDKLTVSRAR DATA SEQUENCE KIQRFLSQPF QVAEVFTGHL GKLVPLKETI KGFQQILAGE YDHLPEQAFY DATA SEQUENCE MVGPIEEAVA KADKLAEEH 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 0.000 174.829 174.700 0.214 0.000 1.109 9 T CA 0.000 62.166 62.100 0.109 0.000 1.349 9 T CB 0.000 68.919 68.868 0.086 0.000 0.612 10 T N 1.898 116.561 114.554 0.183 0.000 2.795 10 T HA 0.756 5.106 4.350 -0.000 0.000 0.282 10 T C 0.633 175.338 174.700 0.009 0.000 0.980 10 T CA -0.342 61.831 62.100 0.120 0.000 1.012 10 T CB 1.399 70.287 68.868 0.032 0.000 0.936 10 T HN 1.078 nan 8.240 nan 0.000 0.457 11 G N 1.910 110.525 108.800 -0.308 0.000 2.600 11 G HA2 0.736 4.696 3.960 -0.000 0.000 0.303 11 G HA3 0.736 4.696 3.960 -0.000 0.000 0.303 11 G C -1.135 173.464 174.900 -0.501 0.000 1.253 11 G CA -0.984 43.562 45.100 -0.925 0.000 0.974 11 G HN 0.593 nan 8.290 nan 0.000 0.483 12 R N -0.461 119.768 120.500 -0.452 0.000 2.670 12 R HA 0.427 4.767 4.340 -0.000 0.000 0.289 12 R C -0.504 175.666 176.300 -0.217 0.000 0.965 12 R CA -0.804 55.147 56.100 -0.249 0.000 0.899 12 R CB 2.568 32.769 30.300 -0.165 0.000 1.173 12 R HN 0.380 nan 8.270 nan 0.000 0.456 13 I N 2.554 123.039 120.570 -0.142 0.000 2.588 13 I HA -0.052 4.118 4.170 -0.000 0.000 0.283 13 I C 1.320 177.390 176.117 -0.077 0.000 1.119 13 I CA 0.202 61.444 61.300 -0.097 0.000 1.419 13 I CB 1.108 39.070 38.000 -0.064 0.000 1.394 13 I HN 0.552 nan 8.210 nan 0.000 0.562 14 V N 2.558 122.435 119.914 -0.061 0.000 3.451 14 V HA 0.664 4.784 4.120 -0.000 0.000 0.288 14 V C 0.275 176.351 176.094 -0.029 0.000 1.502 14 V CA 0.191 62.463 62.300 -0.045 0.000 1.026 14 V CB 0.233 32.029 31.823 -0.045 0.000 0.840 14 V HN 0.737 nan 8.190 nan 0.000 0.437 15 A N -0.127 122.679 122.820 -0.024 0.000 2.547 15 A HA 0.751 5.071 4.320 -0.000 0.000 0.298 15 A C -1.333 176.243 177.584 -0.012 0.000 1.062 15 A CA -0.257 51.771 52.037 -0.016 0.000 0.748 15 A CB 1.878 20.872 19.000 -0.010 0.000 1.288 15 A HN 0.657 nan 8.150 nan 0.000 0.396 16 V N 3.559 123.467 119.914 -0.011 0.000 2.419 16 V HA 0.466 4.586 4.120 -0.000 0.000 0.287 16 V C -0.716 175.374 176.094 -0.007 0.000 1.017 16 V CA -0.021 62.273 62.300 -0.009 0.000 0.844 16 V CB 1.013 32.830 31.823 -0.010 0.000 1.011 16 V HN 0.706 nan 8.190 nan 0.000 0.429 17 I N 4.415 124.982 120.570 -0.005 0.000 2.448 17 I HA 0.644 4.814 4.170 -0.000 0.000 0.281 17 I C 1.092 177.205 176.117 -0.005 0.000 1.027 17 I CA -0.098 61.199 61.300 -0.005 0.000 1.111 17 I CB 1.439 39.436 38.000 -0.005 0.000 1.236 17 I HN 0.783 nan 8.210 nan 0.000 0.452 18 G N 4.873 113.670 108.800 -0.006 0.000 2.611 18 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.301 18 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.301 18 G C 0.877 175.773 174.900 -0.005 0.000 1.233 18 G CA 0.510 45.606 45.100 -0.006 0.000 0.993 18 G HN 0.840 nan 8.290 nan 0.000 0.553 19 A N -0.851 121.965 122.820 -0.007 0.000 2.235 19 A HA 0.541 4.861 4.320 -0.000 0.000 0.208 19 A C 1.013 178.596 177.584 -0.002 0.000 1.172 19 A CA 1.626 53.660 52.037 -0.005 0.000 0.786 19 A CB 0.005 18.999 19.000 -0.010 0.000 0.804 19 A HN 1.387 nan 8.150 nan 0.000 0.479 20 V N 1.210 121.122 119.914 -0.002 0.000 2.350 20 V HA 0.371 4.491 4.120 -0.000 0.000 0.276 20 V C -0.568 175.529 176.094 0.004 0.000 1.028 20 V CA -0.314 61.987 62.300 0.002 0.000 0.860 20 V CB 1.210 33.032 31.823 -0.001 0.000 0.990 20 V HN 0.098 nan 8.190 nan 0.000 0.453 21 V N 4.182 124.102 119.914 0.009 0.000 2.604 21 V HA 0.501 4.621 4.120 -0.000 0.000 0.305 21 V C -0.661 175.441 176.094 0.013 0.000 1.043 21 V CA -0.828 61.476 62.300 0.007 0.000 0.888 21 V CB 2.302 34.128 31.823 0.005 0.000 0.995 21 V HN 0.753 nan 8.190 nan 0.000 0.429 22 D N 3.062 123.465 120.400 0.005 0.000 2.233 22 D HA 0.518 5.158 4.640 -0.000 0.000 0.240 22 D C -0.704 175.588 176.300 -0.013 0.000 1.074 22 D CA -0.018 53.987 54.000 0.009 0.000 0.838 22 D CB 2.290 43.093 40.800 0.004 0.000 1.124 22 D HN 0.244 nan 8.370 nan 0.000 0.475 23 V N 2.634 122.547 119.914 -0.001 0.000 2.487 23 V HA 0.262 4.382 4.120 -0.000 0.000 0.298 23 V C -0.002 176.029 176.094 -0.105 0.000 1.028 23 V CA -0.857 61.388 62.300 -0.091 0.000 0.860 23 V CB 1.952 33.712 31.823 -0.105 0.000 0.991 23 V HN 0.402 nan 8.190 nan 0.000 0.427 24 Q N 3.482 123.160 119.800 -0.204 0.000 2.314 24 Q HA 0.577 4.917 4.340 -0.000 0.000 0.259 24 Q C -1.756 174.082 176.000 -0.270 0.000 0.951 24 Q CA -0.430 55.293 55.803 -0.132 0.000 0.909 24 Q CB 1.076 29.764 28.738 -0.084 0.000 1.236 24 Q HN 0.627 nan 8.270 nan 0.000 0.444 25 F N 2.635 122.558 119.950 -0.045 0.000 2.443 25 F HA 0.254 4.781 4.527 -0.000 0.000 0.335 25 F C 0.519 176.295 175.800 -0.041 0.000 1.104 25 F CA -0.553 57.423 58.000 -0.041 0.000 1.013 25 F CB 1.660 40.632 39.000 -0.047 0.000 1.136 25 F HN 0.641 nan 8.300 nan 0.000 0.470 26 D N 0.860 121.334 120.400 0.122 0.000 2.338 26 D HA -0.016 4.624 4.640 -0.000 0.000 0.224 26 D C 1.400 177.744 176.300 0.074 0.000 0.967 26 D CA 0.797 54.837 54.000 0.065 0.000 0.896 26 D CB 0.146 40.961 40.800 0.025 0.000 1.028 26 D HN 0.596 nan 8.370 nan 0.000 0.493 27 E N 0.911 121.172 120.200 0.102 0.000 2.993 27 E HA 0.225 4.575 4.350 -0.000 0.000 0.408 27 E C 1.084 177.716 176.600 0.054 0.000 0.684 27 E CA 0.355 56.799 56.400 0.074 0.000 2.506 27 E CB -0.401 29.352 29.700 0.088 0.000 1.463 27 E HN 0.065 nan 8.360 nan 0.000 0.530 28 G N 0.229 109.048 108.800 0.032 0.000 2.400 28 G HA2 0.464 4.424 3.960 -0.000 0.000 0.333 28 G HA3 0.464 4.424 3.960 -0.000 0.000 0.333 28 G C -1.295 173.507 174.900 -0.165 0.000 1.143 28 G CA -0.625 44.447 45.100 -0.047 0.000 0.914 28 G HN 0.026 nan 8.290 nan 0.000 0.480 29 L N 3.688 124.792 121.223 -0.199 0.000 2.260 29 L HA 0.380 4.720 4.340 -0.000 0.000 0.289 29 L C -1.574 175.082 176.870 -0.356 0.000 1.057 29 L CA -1.807 52.821 54.840 -0.354 0.000 0.811 29 L CB 1.220 43.106 42.059 -0.289 0.000 1.184 29 L HN 0.324 nan 8.230 nan 0.000 0.429 30 P HA 0.156 nan 4.420 nan 0.000 0.268 30 P C -2.718 174.557 177.300 -0.042 0.000 1.204 30 P CA -1.074 61.835 63.100 -0.319 0.000 0.768 30 P CB 0.039 31.476 31.700 -0.440 0.000 0.842 31 P HA 0.159 nan 4.420 nan 0.000 0.272 31 P C 0.448 177.710 177.300 -0.063 0.000 1.230 31 P CA -0.132 62.955 63.100 -0.021 0.000 0.788 31 P CB 0.796 32.465 31.700 -0.051 0.000 0.949 32 I N 2.389 122.860 120.570 -0.166 0.000 2.752 32 I HA -0.116 4.054 4.170 -0.000 0.000 0.287 32 I C 1.526 177.555 176.117 -0.148 0.000 1.188 32 I CA 0.480 61.681 61.300 -0.164 0.000 1.427 32 I CB -0.307 37.554 38.000 -0.231 0.000 1.365 32 I HN 0.457 nan 8.210 nan 0.000 0.585 33 L N 2.176 123.307 121.223 -0.154 0.000 4.692 33 L HA -0.229 4.111 4.340 -0.000 0.000 0.400 33 L C -0.169 176.633 176.870 -0.112 0.000 0.912 33 L CA 0.034 54.734 54.840 -0.233 0.000 1.662 33 L CB -1.758 40.090 42.059 -0.351 0.000 1.814 33 L HN 0.689 nan 8.230 nan 0.000 0.580 34 N N 1.090 119.753 118.700 -0.061 0.000 2.499 34 N HA 0.590 5.330 4.740 -0.000 0.000 0.281 34 N C 0.244 175.759 175.510 0.009 0.000 1.098 34 N CA 0.683 53.718 53.050 -0.025 0.000 0.979 34 N CB 1.284 39.746 38.487 -0.041 0.000 1.121 34 N HN 0.279 nan 8.380 nan 0.000 0.466 35 A N 2.725 125.560 122.820 0.026 0.000 2.363 35 A HA 0.514 4.833 4.320 -0.000 0.000 0.270 35 A C -0.512 177.101 177.584 0.049 0.000 1.121 35 A CA -0.324 51.739 52.037 0.043 0.000 0.800 35 A CB -0.016 19.011 19.000 0.045 0.000 1.052 35 A HN 0.657 nan 8.150 nan 0.000 0.493 36 L N 2.613 123.876 121.223 0.067 0.000 2.356 36 L HA 0.396 4.736 4.340 -0.000 0.000 0.277 36 L C -0.489 176.421 176.870 0.067 0.000 0.996 36 L CA -0.790 54.106 54.840 0.093 0.000 0.822 36 L CB 1.802 43.951 42.059 0.150 0.000 1.256 36 L HN 0.607 nan 8.230 nan 0.000 0.413 37 E N 3.298 123.533 120.200 0.059 0.000 2.194 37 E HA 0.237 4.587 4.350 -0.000 0.000 0.284 37 E C -0.532 176.086 176.600 0.030 0.000 1.035 37 E CA -0.479 55.943 56.400 0.037 0.000 0.836 37 E CB 2.165 31.881 29.700 0.026 0.000 1.070 37 E HN 0.181 nan 8.360 nan 0.000 0.401 38 V N 4.953 124.879 119.914 0.019 0.000 2.408 38 V HA 0.005 4.125 4.120 -0.000 0.000 0.267 38 V C 0.699 176.793 176.094 0.001 0.000 1.047 38 V CA -0.519 61.785 62.300 0.006 0.000 0.937 38 V CB 0.665 32.489 31.823 0.002 0.000 0.999 38 V HN 0.458 nan 8.190 nan 0.000 0.472 39 Q N 2.574 122.371 119.800 -0.005 0.000 2.443 39 Q HA 0.370 4.710 4.340 -0.000 0.000 0.232 39 Q C 1.246 177.241 176.000 -0.008 0.000 1.026 39 Q CA 0.619 56.418 55.803 -0.005 0.000 0.924 39 Q CB 0.745 29.478 28.738 -0.008 0.000 1.256 39 Q HN 1.143 nan 8.270 nan 0.000 0.519 40 G N 1.289 110.085 108.800 -0.007 0.000 2.212 40 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.255 40 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.255 40 G C -0.246 174.651 174.900 -0.005 0.000 1.062 40 G CA 0.211 45.307 45.100 -0.007 0.000 0.815 40 G HN 0.413 nan 8.290 nan 0.000 0.497 41 R N -0.772 119.727 120.500 -0.003 0.000 2.621 41 R HA 0.404 4.744 4.340 -0.000 0.000 0.284 41 R C 0.130 176.430 176.300 0.000 0.000 0.998 41 R CA -1.000 55.099 56.100 -0.001 0.000 0.895 41 R CB 1.176 31.476 30.300 -0.000 0.000 1.195 41 R HN 0.052 nan 8.270 nan 0.000 0.450 42 E N 1.017 121.217 120.200 0.000 0.000 2.485 42 E HA 0.005 4.355 4.350 -0.000 0.000 0.194 42 E C -0.187 176.414 176.600 0.003 0.000 1.098 42 E CA 0.470 56.871 56.400 0.001 0.000 0.878 42 E CB 0.162 29.862 29.700 0.000 0.000 0.939 42 E HN 0.654 nan 8.360 nan 0.000 0.503 43 T N -2.044 112.512 114.554 0.004 0.000 3.395 43 T HA 0.267 4.617 4.350 -0.000 0.000 0.330 43 T C -0.214 174.490 174.700 0.008 0.000 1.076 43 T CA -0.934 61.169 62.100 0.006 0.000 1.070 43 T CB 1.875 70.746 68.868 0.005 0.000 1.119 43 T HN -0.016 nan 8.240 nan 0.000 0.462 44 R N 1.866 122.372 120.500 0.010 0.000 2.485 44 R HA 0.196 4.536 4.340 -0.000 0.000 0.304 44 R C -0.843 175.465 176.300 0.014 0.000 0.934 44 R CA -0.252 55.856 56.100 0.013 0.000 1.102 44 R CB -0.015 30.295 30.300 0.016 0.000 0.906 44 R HN 0.575 nan 8.270 nan 0.000 0.407 45 L N 6.301 127.533 121.223 0.014 0.000 2.345 45 L HA 0.324 4.664 4.340 -0.000 0.000 0.274 45 L C -1.252 175.631 176.870 0.022 0.000 0.999 45 L CA -0.523 54.327 54.840 0.016 0.000 0.849 45 L CB 1.828 43.894 42.059 0.011 0.000 1.220 45 L HN 0.341 nan 8.230 nan 0.000 0.422 46 V N 6.392 126.322 119.914 0.026 0.000 2.465 46 V HA 0.411 4.531 4.120 -0.000 0.000 0.279 46 V C 0.097 176.214 176.094 0.038 0.000 1.045 46 V CA -0.439 61.882 62.300 0.034 0.000 0.938 46 V CB 1.442 33.288 31.823 0.038 0.000 0.986 46 V HN 0.569 nan 8.190 nan 0.000 0.467 47 L N 4.668 125.919 121.223 0.047 0.000 2.298 47 L HA 0.538 4.878 4.340 -0.000 0.000 0.284 47 L C 0.159 177.064 176.870 0.058 0.000 1.013 47 L CA -0.290 54.580 54.840 0.050 0.000 0.824 47 L CB 1.693 43.785 42.059 0.056 0.000 1.221 47 L HN 0.657 nan 8.230 nan 0.000 0.418 48 E N 2.943 123.174 120.200 0.052 0.000 2.194 48 E HA 0.225 4.575 4.350 -0.000 0.000 0.284 48 E C -0.803 175.817 176.600 0.034 0.000 1.035 48 E CA -0.719 55.708 56.400 0.046 0.000 0.836 48 E CB 1.634 31.369 29.700 0.057 0.000 1.070 48 E HN 0.319 nan 8.360 nan 0.000 0.401 49 V N 4.986 124.917 119.914 0.027 0.000 2.434 49 V HA -0.013 4.107 4.120 -0.000 0.000 0.281 49 V C 0.989 177.080 176.094 -0.005 0.000 1.005 49 V CA 0.946 63.266 62.300 0.035 0.000 1.089 49 V CB 0.425 32.270 31.823 0.037 0.000 0.978 49 V HN 0.856 nan 8.190 nan 0.000 0.474 50 A N 4.842 127.670 122.820 0.013 0.000 1.973 50 A HA 0.271 4.590 4.320 -0.000 0.000 0.210 50 A C 0.785 178.360 177.584 -0.015 0.000 1.200 50 A CA 0.403 52.432 52.037 -0.012 0.000 0.707 50 A CB 0.293 19.293 19.000 -0.000 0.000 0.862 50 A HN 0.767 nan 8.150 nan 0.000 0.461 51 Q N -1.763 118.057 119.800 0.033 0.000 2.511 51 Q HA 0.396 4.736 4.340 -0.000 0.000 0.289 51 Q C -1.628 174.485 176.000 0.189 0.000 1.021 51 Q CA -0.627 55.203 55.803 0.046 0.000 0.785 51 Q CB 1.589 30.350 28.738 0.039 0.000 1.472 51 Q HN 0.555 nan 8.270 nan 0.000 0.411 52 H N 1.483 120.553 119.070 -0.000 0.000 2.683 52 H HA 0.262 4.818 4.556 -0.000 0.000 0.270 52 H C 0.615 175.948 175.328 0.010 0.000 1.201 52 H CA -0.250 55.801 56.048 0.006 0.000 1.277 52 H CB 0.721 30.480 29.762 -0.005 0.000 1.400 52 H HN 0.441 nan 8.280 nan 0.000 0.504 53 L N 2.396 123.683 121.223 0.106 0.000 2.265 53 L HA 0.010 4.350 4.340 -0.000 0.000 0.215 53 L C 1.291 178.185 176.870 0.040 0.000 1.117 53 L CA 0.901 55.776 54.840 0.059 0.000 0.782 53 L CB -0.257 41.826 42.059 0.040 0.000 0.914 53 L HN 0.823 nan 8.230 nan 0.000 0.441 54 G N -0.428 108.388 108.800 0.027 0.000 2.462 54 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.685 54 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.685 54 G C -0.178 174.717 174.900 -0.008 0.000 1.295 54 G CA -0.524 44.582 45.100 0.009 0.000 0.941 54 G HN 0.236 nan 8.290 nan 0.000 0.554 55 E N -0.701 119.494 120.200 -0.009 0.000 2.165 55 E HA -0.177 4.173 4.350 -0.000 0.000 0.203 55 E C 0.932 177.525 176.600 -0.012 0.000 1.335 55 E CA 0.941 57.335 56.400 -0.009 0.000 0.708 55 E CB -1.405 28.292 29.700 -0.004 0.000 1.105 55 E HN 1.874 nan 8.360 nan 0.000 0.346 56 S N -1.170 114.514 115.700 -0.027 0.000 3.521 56 S HA -0.215 4.255 4.470 -0.000 0.000 0.362 56 S C -0.021 174.589 174.600 0.016 0.000 1.044 56 S CA 1.438 59.627 58.200 -0.018 0.000 1.091 56 S CB -0.829 62.377 63.200 0.010 0.000 0.908 56 S HN 0.465 nan 8.310 nan 0.000 0.473 57 T N 1.050 115.602 114.554 -0.004 0.000 2.881 57 T HA 0.607 4.957 4.350 -0.000 0.000 0.290 57 T C 0.058 174.780 174.700 0.037 0.000 1.000 57 T CA -0.347 61.772 62.100 0.032 0.000 0.978 57 T CB 1.863 70.739 68.868 0.014 0.000 0.997 57 T HN 0.520 nan 8.240 nan 0.000 0.443 58 V N 1.660 121.638 119.914 0.107 0.000 2.667 58 V HA 0.792 4.912 4.120 -0.000 0.000 0.308 58 V C -0.276 175.889 176.094 0.118 0.000 1.048 58 V CA -1.261 61.121 62.300 0.136 0.000 0.928 58 V CB 1.759 33.703 31.823 0.201 0.000 1.004 58 V HN 0.860 nan 8.190 nan 0.000 0.444 59 R N 2.312 122.875 120.500 0.105 0.000 2.460 59 R HA 0.764 5.104 4.340 -0.000 0.000 0.303 59 R C -0.411 175.929 176.300 0.067 0.000 0.968 59 R CA 0.290 56.431 56.100 0.068 0.000 0.889 59 R CB 1.652 31.982 30.300 0.049 0.000 1.123 59 R HN 1.171 nan 8.270 nan 0.000 0.455 60 T N 2.352 116.938 114.554 0.053 0.000 2.909 60 T HA 0.449 4.799 4.350 -0.000 0.000 0.299 60 T C 0.086 174.804 174.700 0.030 0.000 1.073 60 T CA -1.011 61.118 62.100 0.047 0.000 0.999 60 T CB 1.033 69.941 68.868 0.066 0.000 1.098 60 T HN 0.573 nan 8.240 nan 0.000 0.477 61 I N 0.842 121.427 120.570 0.024 0.000 2.353 61 I HA 0.766 4.936 4.170 -0.000 0.000 0.293 61 I C 0.407 176.537 176.117 0.021 0.000 0.992 61 I CA -1.278 60.031 61.300 0.015 0.000 1.268 61 I CB 0.978 38.982 38.000 0.007 0.000 1.387 61 I HN 0.863 nan 8.210 nan 0.000 0.478 62 A N 7.168 129.997 122.820 0.015 0.000 2.409 62 A HA 0.443 4.763 4.320 -0.000 0.000 0.262 62 A C 0.773 178.367 177.584 0.016 0.000 1.113 62 A CA -0.546 51.501 52.037 0.017 0.000 0.790 62 A CB 0.528 19.535 19.000 0.011 0.000 1.046 62 A HN 0.839 nan 8.150 nan 0.000 0.496 63 M N 1.429 121.043 119.600 0.022 0.000 2.633 63 M HA 0.183 4.663 4.480 -0.000 0.000 0.226 63 M C -0.034 176.277 176.300 0.017 0.000 1.137 63 M CA 0.577 55.890 55.300 0.022 0.000 1.020 63 M CB -1.479 31.139 32.600 0.030 0.000 1.675 63 M HN 0.775 nan 8.290 nan 0.000 0.500 64 D N -1.447 118.960 120.400 0.013 0.000 2.970 64 D HA 0.416 5.056 4.640 -0.000 0.000 0.344 64 D C -0.553 175.751 176.300 0.006 0.000 1.365 64 D CA -0.215 53.791 54.000 0.010 0.000 0.910 64 D CB 0.843 41.649 40.800 0.011 0.000 1.445 64 D HN 0.140 nan 8.370 nan 0.000 0.532 65 G N -1.048 107.754 108.800 0.004 0.000 2.569 65 G HA2 0.398 4.358 3.960 -0.000 0.000 0.249 65 G HA3 0.398 4.358 3.960 -0.000 0.000 0.249 65 G C 0.728 175.628 174.900 0.001 0.000 1.216 65 G CA 0.535 45.636 45.100 0.002 0.000 0.845 65 G HN 0.375 nan 8.290 nan 0.000 0.568 66 T N -1.906 112.648 114.554 -0.001 0.000 3.092 66 T HA 0.205 4.555 4.350 -0.000 0.000 0.258 66 T C 0.441 175.139 174.700 -0.003 0.000 1.031 66 T CA -0.225 61.874 62.100 -0.002 0.000 0.925 66 T CB -0.010 68.856 68.868 -0.003 0.000 1.036 66 T HN 0.583 nan 8.240 nan 0.000 0.544 67 E N 1.722 121.921 120.200 -0.003 0.000 2.463 67 E HA 0.363 4.713 4.350 -0.000 0.000 0.248 67 E C 1.174 177.772 176.600 -0.004 0.000 1.106 67 E CA 0.567 56.965 56.400 -0.003 0.000 0.946 67 E CB -0.149 29.549 29.700 -0.002 0.000 0.971 67 E HN 0.604 nan 8.360 nan 0.000 0.478 68 G N 3.022 111.819 108.800 -0.005 0.000 2.231 68 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.206 68 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.206 68 G C 0.319 175.214 174.900 -0.008 0.000 0.996 68 G CA -0.559 44.537 45.100 -0.006 0.000 0.645 68 G HN 0.415 nan 8.290 nan 0.000 0.498 69 L N 1.014 122.232 121.223 -0.009 0.000 2.467 69 L HA 0.500 4.840 4.340 -0.000 0.000 0.270 69 L C 0.581 177.442 176.870 -0.015 0.000 1.205 69 L CA -0.210 54.623 54.840 -0.012 0.000 0.828 69 L CB 1.106 43.157 42.059 -0.012 0.000 1.101 69 L HN -0.012 nan 8.230 nan 0.000 0.479 70 V N 2.596 122.498 119.914 -0.019 0.000 2.604 70 V HA 0.352 4.472 4.120 -0.000 0.000 0.305 70 V C 0.102 176.179 176.094 -0.028 0.000 1.043 70 V CA -0.895 61.393 62.300 -0.021 0.000 0.888 70 V CB 1.921 33.732 31.823 -0.020 0.000 0.995 70 V HN 0.666 nan 8.190 nan 0.000 0.429 71 R N 2.407 122.891 120.500 -0.027 0.000 2.502 71 R HA 0.378 4.718 4.340 -0.000 0.000 0.292 71 R C 1.312 177.589 176.300 -0.039 0.000 0.998 71 R CA 1.143 57.224 56.100 -0.032 0.000 1.056 71 R CB 0.082 30.366 30.300 -0.027 0.000 0.939 71 R HN 1.203 nan 8.270 nan 0.000 0.411 72 G N 1.836 110.605 108.800 -0.052 0.000 2.213 72 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.236 72 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.236 72 G C 0.232 175.093 174.900 -0.064 0.000 0.991 72 G CA -0.030 45.034 45.100 -0.059 0.000 0.629 72 G HN 0.597 nan 8.290 nan 0.000 0.517 73 Q N 1.269 121.035 119.800 -0.057 0.000 2.349 73 Q HA 0.352 4.692 4.340 -0.000 0.000 0.287 73 Q C 0.554 176.509 176.000 -0.074 0.000 1.044 73 Q CA 0.345 56.116 55.803 -0.053 0.000 0.918 73 Q CB 0.317 29.031 28.738 -0.041 0.000 1.242 73 Q HN 0.459 nan 8.270 nan 0.000 0.405 74 K N 1.489 121.851 120.400 -0.063 0.000 2.295 74 K HA 0.263 4.583 4.320 -0.000 0.000 0.270 74 K C -1.081 175.477 176.600 -0.069 0.000 1.011 74 K CA -0.240 56.003 56.287 -0.074 0.000 0.953 74 K CB 0.972 33.444 32.500 -0.046 0.000 0.956 74 K HN 0.320 nan 8.250 nan 0.000 0.477 75 V N 4.413 124.273 119.914 -0.090 0.000 2.532 75 V HA 0.198 4.318 4.120 -0.000 0.000 0.294 75 V C -0.612 175.510 176.094 0.047 0.000 1.036 75 V CA -0.749 61.528 62.300 -0.038 0.000 0.876 75 V CB 1.367 33.141 31.823 -0.082 0.000 1.012 75 V HN 0.593 nan 8.190 nan 0.000 0.432 76 L N 3.746 125.012 121.223 0.072 0.000 2.260 76 L HA 0.428 4.768 4.340 -0.000 0.000 0.289 76 L C 0.161 177.107 176.870 0.127 0.000 1.057 76 L CA -0.367 54.534 54.840 0.102 0.000 0.811 76 L CB 1.001 43.091 42.059 0.052 0.000 1.184 76 L HN 0.598 nan 8.230 nan 0.000 0.429 77 D N 1.863 122.366 120.400 0.172 0.000 2.382 77 D HA -0.030 4.610 4.640 -0.000 0.000 0.259 77 D C 1.228 177.549 176.300 0.034 0.000 1.224 77 D CA -0.012 54.043 54.000 0.091 0.000 0.894 77 D CB 1.208 42.008 40.800 -0.001 0.000 1.127 77 D HN 0.534 nan 8.370 nan 0.000 0.487 78 S N 2.671 118.384 115.700 0.021 0.000 2.603 78 S HA 0.113 4.583 4.470 -0.000 0.000 0.229 78 S C 1.748 176.338 174.600 -0.016 0.000 0.972 78 S CA 0.481 58.680 58.200 -0.001 0.000 0.935 78 S CB -0.223 62.975 63.200 -0.003 0.000 0.769 78 S HN 0.876 nan 8.310 nan 0.000 0.536 79 G N 0.486 109.274 108.800 -0.021 0.000 2.320 79 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.242 79 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.242 79 G C 0.224 175.107 174.900 -0.028 0.000 1.033 79 G CA -0.099 44.983 45.100 -0.031 0.000 0.620 79 G HN 1.553 nan 8.290 nan 0.000 0.517 80 A N -0.356 122.453 122.820 -0.017 0.000 2.552 80 A HA 0.932 5.252 4.320 -0.000 0.000 0.288 80 A C -2.906 174.683 177.584 0.010 0.000 1.193 80 A CA -0.706 51.327 52.037 -0.007 0.000 0.713 80 A CB 0.755 19.754 19.000 -0.001 0.000 1.305 80 A HN 0.122 nan 8.150 nan 0.000 0.424 81 P HA 0.244 nan 4.420 nan 0.000 0.274 81 P C -0.541 176.811 177.300 0.087 0.000 1.264 81 P CA -0.178 62.964 63.100 0.070 0.000 0.795 81 P CB 0.215 31.981 31.700 0.110 0.000 1.064 82 I N 1.109 121.757 120.570 0.129 0.000 2.664 82 I HA -0.018 4.152 4.170 -0.000 0.000 0.284 82 I C 0.932 177.097 176.117 0.081 0.000 1.154 82 I CA 0.684 62.040 61.300 0.092 0.000 1.402 82 I CB -0.292 37.761 38.000 0.088 0.000 1.395 82 I HN 0.124 nan 8.210 nan 0.000 0.545 83 R N 7.924 128.473 120.500 0.082 0.000 2.445 83 R HA 0.695 5.035 4.340 -0.000 0.000 0.308 83 R C -0.455 175.960 176.300 0.192 0.000 0.961 83 R CA -0.731 55.441 56.100 0.121 0.000 0.862 83 R CB 1.947 32.317 30.300 0.116 0.000 1.144 83 R HN 0.624 nan 8.270 nan 0.000 0.447 84 I N -1.166 119.497 120.570 0.154 0.000 2.957 84 I HA 0.655 4.825 4.170 -0.000 0.000 0.310 84 I C -2.664 173.398 176.117 -0.090 0.000 1.063 84 I CA -3.550 57.810 61.300 0.101 0.000 1.033 84 I CB 2.373 40.367 38.000 -0.010 0.000 1.230 84 I HN 0.250 nan 8.210 nan 0.000 0.447 85 P HA 0.222 nan 4.420 nan 0.000 0.276 85 P C -0.616 176.387 177.300 -0.494 0.000 1.235 85 P CA -0.120 62.541 63.100 -0.733 0.000 0.772 85 P CB 1.159 32.510 31.700 -0.582 0.000 0.871 86 V N 0.347 119.899 119.914 -0.603 0.000 3.158 86 V HA 1.025 5.145 4.120 -0.000 0.000 0.311 86 V C 0.028 175.665 176.094 -0.762 0.000 1.181 86 V CA -0.447 61.461 62.300 -0.654 0.000 1.054 86 V CB 1.297 32.661 31.823 -0.765 0.000 1.085 86 V HN 0.906 nan 8.190 nan 0.000 0.446 87 G N 0.778 109.131 108.800 -0.745 0.000 2.555 87 G HA2 0.036 3.996 3.960 -0.000 0.000 0.686 87 G HA3 0.036 3.996 3.960 -0.000 0.000 0.686 87 G C -1.845 173.164 174.900 0.181 0.000 1.275 87 G CA -0.100 44.859 45.100 -0.235 0.000 0.871 87 G HN 0.841 nan 8.290 nan 0.000 0.603 88 P HA -0.184 nan 4.420 nan 0.000 0.217 88 P C 1.383 178.724 177.300 0.068 0.000 1.148 88 P CA 2.118 65.350 63.100 0.219 0.000 0.834 88 P CB -0.068 31.729 31.700 0.162 0.000 0.783 89 E N 0.147 120.367 120.200 0.033 0.000 2.472 89 E HA -0.097 4.253 4.350 -0.000 0.000 0.200 89 E C 1.529 178.119 176.600 -0.017 0.000 1.046 89 E CA 1.499 57.894 56.400 -0.009 0.000 0.871 89 E CB -1.465 28.216 29.700 -0.032 0.000 0.806 89 E HN 0.409 nan 8.360 nan 0.000 0.533 90 T N -0.488 114.064 114.554 -0.003 0.000 2.937 90 T HA 0.047 4.397 4.350 -0.000 0.000 0.260 90 T C 1.320 176.050 174.700 0.050 0.000 1.051 90 T CA -0.197 61.901 62.100 -0.003 0.000 1.141 90 T CB -0.560 68.284 68.868 -0.040 0.000 0.879 90 T HN 0.065 nan 8.240 nan 0.000 0.459 91 L N 2.454 123.718 121.223 0.069 0.000 2.706 91 L HA 0.233 4.573 4.340 -0.000 0.000 0.282 91 L C 1.784 178.675 176.870 0.035 0.000 1.219 91 L CA 1.140 55.997 54.840 0.029 0.000 0.935 91 L CB -0.460 41.522 42.059 -0.129 0.000 1.204 91 L HN 0.699 nan 8.230 nan 0.000 0.491 92 G N 2.049 110.896 108.800 0.078 0.000 2.225 92 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.254 92 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.254 92 G C 0.307 175.300 174.900 0.155 0.000 0.988 92 G CA -0.419 44.746 45.100 0.108 0.000 0.625 92 G HN 0.478 nan 8.290 nan 0.000 0.527 93 R N 0.322 120.887 120.500 0.109 0.000 2.428 93 R HA 0.625 4.965 4.340 -0.000 0.000 0.294 93 R C 0.359 176.707 176.300 0.079 0.000 1.000 93 R CA -0.932 55.218 56.100 0.082 0.000 0.960 93 R CB 0.836 31.160 30.300 0.039 0.000 1.076 93 R HN 0.340 nan 8.270 nan 0.000 0.475 94 I N 3.581 124.164 120.570 0.022 0.000 2.301 94 I HA 0.256 4.426 4.170 -0.000 0.000 0.292 94 I C 0.655 176.791 176.117 0.031 0.000 1.046 94 I CA -0.182 61.131 61.300 0.022 0.000 1.282 94 I CB 0.797 38.703 38.000 -0.156 0.000 1.409 94 I HN 0.299 nan 8.210 nan 0.000 0.484 95 M N 4.981 124.626 119.600 0.074 0.000 2.471 95 M HA 0.289 4.769 4.480 -0.000 0.000 0.309 95 M C 0.208 176.544 176.300 0.059 0.000 1.186 95 M CA -0.247 55.078 55.300 0.042 0.000 1.008 95 M CB 1.451 34.060 32.600 0.015 0.000 1.551 95 M HN 0.506 nan 8.290 nan 0.000 0.477 96 N N -0.524 118.197 118.700 0.034 0.000 2.460 96 N HA 0.311 5.051 4.740 -0.000 0.000 0.296 96 N C 0.436 175.962 175.510 0.027 0.000 1.319 96 N CA -0.194 52.878 53.050 0.037 0.000 0.945 96 N CB 0.597 39.100 38.487 0.027 0.000 1.096 96 N HN 0.431 nan 8.380 nan 0.000 0.538 97 V N -0.049 119.879 119.914 0.023 0.000 3.125 97 V HA 0.090 4.210 4.120 -0.000 0.000 0.249 97 V C 1.370 177.472 176.094 0.013 0.000 1.113 97 V CA 0.951 63.258 62.300 0.012 0.000 1.106 97 V CB -0.622 31.211 31.823 0.015 0.000 0.768 97 V HN 0.658 nan 8.190 nan 0.000 0.468 98 I N -1.310 119.274 120.570 0.024 0.000 3.889 98 I HA 0.719 4.889 4.170 -0.000 0.000 0.332 98 I C 1.276 177.422 176.117 0.048 0.000 1.493 98 I CA 0.546 61.867 61.300 0.036 0.000 1.158 98 I CB 0.084 38.107 38.000 0.039 0.000 1.117 98 I HN 0.236 nan 8.210 nan 0.000 0.411 99 G N 0.884 109.704 108.800 0.033 0.000 2.176 99 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.253 99 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.253 99 G C 0.008 174.929 174.900 0.035 0.000 0.979 99 G CA 0.007 45.127 45.100 0.033 0.000 0.641 99 G HN 0.620 nan 8.290 nan 0.000 0.530 100 E N 2.238 122.459 120.200 0.036 0.000 2.384 100 E HA 0.315 4.665 4.350 -0.000 0.000 0.266 100 E C -2.159 174.451 176.600 0.017 0.000 1.012 100 E CA -1.206 55.213 56.400 0.031 0.000 0.901 100 E CB 1.038 30.754 29.700 0.027 0.000 0.967 100 E HN 0.271 nan 8.360 nan 0.000 0.435 101 P HA 0.100 nan 4.420 nan 0.000 0.286 101 P C -0.011 177.283 177.300 -0.011 0.000 1.269 101 P CA 0.059 63.159 63.100 -0.001 0.000 0.787 101 P CB 0.446 32.147 31.700 0.000 0.000 0.920 102 I N -0.200 120.353 120.570 -0.029 0.000 3.569 102 I HA 0.281 4.451 4.170 -0.000 0.000 0.334 102 I C -0.223 175.833 176.117 -0.102 0.000 1.570 102 I CA -0.408 60.860 61.300 -0.052 0.000 1.082 102 I CB -0.083 37.887 38.000 -0.050 0.000 1.323 102 I HN 0.014 nan 8.210 nan 0.000 0.489 103 D N 0.058 120.403 120.400 -0.092 0.000 2.398 103 D HA 0.048 4.688 4.640 -0.000 0.000 0.210 103 D C 0.585 176.856 176.300 -0.047 0.000 1.094 103 D CA -0.126 53.799 54.000 -0.124 0.000 0.839 103 D CB 0.043 40.773 40.800 -0.116 0.000 0.963 103 D HN 0.459 nan 8.370 nan 0.000 0.506 104 E N -0.528 119.655 120.200 -0.029 0.000 3.286 104 E HA -0.256 4.094 4.350 -0.000 0.000 0.292 104 E C 0.219 176.824 176.600 0.008 0.000 0.928 104 E CA 0.345 56.740 56.400 -0.007 0.000 0.982 104 E CB -1.107 28.591 29.700 -0.003 0.000 1.500 104 E HN 0.380 nan 8.360 nan 0.000 0.441 105 R N 0.479 120.986 120.500 0.011 0.000 2.721 105 R HA 0.268 4.608 4.340 -0.000 0.000 0.296 105 R C 0.944 177.255 176.300 0.018 0.000 1.174 105 R CA 0.398 56.513 56.100 0.024 0.000 1.129 105 R CB 0.593 30.917 30.300 0.039 0.000 1.316 105 R HN 0.317 nan 8.270 nan 0.000 0.571 106 G N 2.183 110.991 108.800 0.013 0.000 2.642 106 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.231 106 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.231 106 G C -2.470 172.439 174.900 0.014 0.000 1.338 106 G CA -0.930 44.178 45.100 0.013 0.000 0.883 106 G HN 0.185 nan 8.290 nan 0.000 0.570 107 P HA 0.501 nan 4.420 nan 0.000 0.276 107 P C -0.030 177.277 177.300 0.012 0.000 1.252 107 P CA -0.391 62.722 63.100 0.022 0.000 0.802 107 P CB 0.623 32.342 31.700 0.032 0.000 1.035 108 I N 1.038 121.611 120.570 0.004 0.000 2.417 108 I HA 0.194 4.364 4.170 -0.000 0.000 0.283 108 I C 0.554 176.645 176.117 -0.042 0.000 1.121 108 I CA -0.623 60.659 61.300 -0.030 0.000 1.211 108 I CB -0.218 37.742 38.000 -0.067 0.000 1.492 108 I HN 0.074 nan 8.210 nan 0.000 0.522 109 K N 4.195 124.588 120.400 -0.011 0.000 1.948 109 K HA 0.029 4.349 4.320 -0.000 0.000 0.231 109 K C 0.504 177.082 176.600 -0.035 0.000 1.136 109 K CA 0.087 56.378 56.287 0.006 0.000 1.185 109 K CB -0.640 31.872 32.500 0.019 0.000 1.090 109 K HN 0.551 nan 8.250 nan 0.000 0.302 110 T N -1.320 113.170 114.554 -0.107 0.000 2.928 110 T HA 0.265 4.615 4.350 -0.000 0.000 0.284 110 T C 0.680 175.332 174.700 -0.080 0.000 1.008 110 T CA -1.071 60.905 62.100 -0.205 0.000 1.057 110 T CB 1.831 70.386 68.868 -0.522 0.000 1.018 110 T HN 0.298 nan 8.240 nan 0.000 0.493 111 K N 0.491 120.858 120.400 -0.055 0.000 2.358 111 K HA 0.163 4.483 4.320 -0.000 0.000 0.197 111 K C -0.326 176.324 176.600 0.082 0.000 1.025 111 K CA 0.000 56.319 56.287 0.052 0.000 1.104 111 K CB 0.323 32.854 32.500 0.051 0.000 0.855 111 K HN 0.546 nan 8.250 nan 0.000 0.531 112 Q N -0.233 119.546 119.800 -0.035 0.000 2.309 112 Q HA 0.450 4.790 4.340 -0.000 0.000 0.273 112 Q C -1.318 174.600 176.000 -0.137 0.000 1.040 112 Q CA -0.485 55.332 55.803 0.024 0.000 0.834 112 Q CB 1.333 30.057 28.738 -0.024 0.000 1.345 112 Q HN -0.096 nan 8.270 nan 0.000 0.414 113 F N 0.586 120.488 119.950 -0.081 0.000 2.529 113 F HA 0.878 5.405 4.527 -0.000 0.000 0.320 113 F C -0.136 175.631 175.800 -0.055 0.000 1.118 113 F CA -0.881 57.069 58.000 -0.084 0.000 0.915 113 F CB 2.019 40.989 39.000 -0.050 0.000 1.161 113 F HN 0.681 nan 8.300 nan 0.000 0.445 114 A N 1.575 124.442 122.820 0.079 0.000 2.330 114 A HA 0.899 5.219 4.320 -0.000 0.000 0.329 114 A C -0.794 176.827 177.584 0.063 0.000 1.135 114 A CA -0.733 51.342 52.037 0.064 0.000 0.817 114 A CB 0.960 19.977 19.000 0.028 0.000 1.269 114 A HN 0.933 nan 8.150 nan 0.000 0.469 115 A N 1.045 123.901 122.820 0.060 0.000 2.362 115 A HA 0.472 4.792 4.320 -0.000 0.000 0.276 115 A C 1.044 178.642 177.584 0.023 0.000 1.153 115 A CA -0.088 51.986 52.037 0.062 0.000 0.813 115 A CB -0.414 18.635 19.000 0.081 0.000 1.081 115 A HN 1.433 nan 8.150 nan 0.000 0.507 116 I N -0.478 120.082 120.570 -0.017 0.000 3.083 116 I HA -0.028 4.142 4.170 -0.000 0.000 0.273 116 I C 0.018 175.996 176.117 -0.233 0.000 1.297 116 I CA 0.712 61.933 61.300 -0.131 0.000 1.452 116 I CB -0.408 37.482 38.000 -0.182 0.000 1.078 116 I HN 0.478 nan 8.210 nan 0.000 0.484 117 H N 2.216 121.288 119.070 0.005 0.000 2.476 117 H HA 0.819 5.375 4.556 -0.000 0.000 0.328 117 H C -0.468 174.861 175.328 0.002 0.000 1.073 117 H CA -0.153 55.897 56.048 0.004 0.000 1.229 117 H CB 1.774 31.540 29.762 0.006 0.000 1.432 117 H HN 0.405 nan 8.280 nan 0.000 0.477 118 A N 3.027 125.911 122.820 0.108 0.000 2.601 118 A HA 0.348 4.668 4.320 -0.000 0.000 0.291 118 A C -0.732 176.881 177.584 0.048 0.000 1.075 118 A CA -0.908 51.167 52.037 0.064 0.000 0.671 118 A CB 1.483 20.505 19.000 0.037 0.000 1.277 118 A HN 0.498 nan 8.150 nan 0.000 0.417 119 E N 0.455 120.677 120.200 0.036 0.000 2.390 119 E HA 0.496 4.846 4.350 -0.000 0.000 0.261 119 E C 0.450 177.062 176.600 0.021 0.000 1.076 119 E CA 0.286 56.703 56.400 0.029 0.000 0.905 119 E CB 1.253 30.968 29.700 0.025 0.000 0.984 119 E HN 0.880 nan 8.360 nan 0.000 0.427 120 A N 3.226 126.058 122.820 0.021 0.000 2.340 120 A HA 0.427 4.747 4.320 -0.000 0.000 0.268 120 A C -2.113 175.485 177.584 0.023 0.000 1.100 120 A CA -1.313 50.734 52.037 0.017 0.000 0.803 120 A CB -0.231 18.782 19.000 0.022 0.000 1.043 120 A HN 0.313 nan 8.150 nan 0.000 0.488 121 P HA 0.059 nan 4.420 nan 0.000 0.262 121 P C -0.005 177.317 177.300 0.037 0.000 1.182 121 P CA 0.226 63.336 63.100 0.016 0.000 0.761 121 P CB 0.420 32.120 31.700 0.001 0.000 0.795 122 E N 1.822 122.046 120.200 0.041 0.000 2.478 122 E HA -0.102 4.248 4.350 -0.000 0.000 0.262 122 E C 0.782 177.447 176.600 0.107 0.000 1.243 122 E CA 0.098 56.544 56.400 0.077 0.000 1.039 122 E CB -0.026 29.712 29.700 0.063 0.000 0.983 122 E HN 0.404 nan 8.360 nan 0.000 0.479 123 F N 1.224 121.173 119.950 -0.002 0.000 2.206 123 F HA -0.158 4.369 4.527 -0.000 0.000 0.298 123 F C 1.953 177.750 175.800 -0.004 0.000 1.090 123 F CA 1.301 59.299 58.000 -0.003 0.000 1.323 123 F CB -0.262 38.736 39.000 -0.003 0.000 1.028 123 F HN 0.240 nan 8.300 nan 0.000 0.492 124 V N -1.882 118.015 119.914 -0.028 0.000 3.026 124 V HA -0.181 3.939 4.120 -0.000 0.000 0.265 124 V C 1.498 177.510 176.094 -0.136 0.000 1.121 124 V CA 1.980 64.215 62.300 -0.108 0.000 1.142 124 V CB -1.092 30.729 31.823 -0.004 0.000 0.730 124 V HN 0.427 nan 8.190 nan 0.000 0.503 125 E N -0.155 119.981 120.200 -0.108 0.000 2.474 125 E HA 0.174 4.524 4.350 -0.000 0.000 0.194 125 E C 0.580 177.109 176.600 -0.118 0.000 1.041 125 E CA -0.228 56.120 56.400 -0.086 0.000 0.874 125 E CB 0.034 29.710 29.700 -0.040 0.000 0.914 125 E HN 0.469 nan 8.360 nan 0.000 0.498 126 M N 0.842 120.322 119.600 -0.200 0.000 2.243 126 M HA 0.104 4.584 4.480 -0.000 0.000 0.341 126 M C 0.367 176.565 176.300 -0.169 0.000 1.130 126 M CA 0.073 55.258 55.300 -0.192 0.000 1.162 126 M CB 0.975 33.408 32.600 -0.278 0.000 1.497 126 M HN -0.184 nan 8.290 nan 0.000 0.456 127 S N 1.268 116.902 115.700 -0.110 0.000 2.509 127 S HA 0.576 5.046 4.470 -0.000 0.000 0.297 127 S C 0.507 175.064 174.600 -0.072 0.000 1.118 127 S CA -0.854 57.296 58.200 -0.084 0.000 1.074 127 S CB 0.875 64.040 63.200 -0.057 0.000 1.038 127 S HN 0.570 nan 8.310 nan 0.000 0.498 128 V N 1.008 120.884 119.914 -0.063 0.000 3.483 128 V HA 0.495 4.615 4.120 -0.000 0.000 0.301 128 V C 0.264 176.342 176.094 -0.027 0.000 1.389 128 V CA -0.345 61.928 62.300 -0.044 0.000 1.101 128 V CB -0.371 31.424 31.823 -0.047 0.000 0.971 128 V HN 0.660 nan 8.190 nan 0.000 0.434 129 E N 2.257 122.442 120.200 -0.025 0.000 2.354 129 E HA 0.439 4.788 4.350 -0.000 0.000 0.269 129 E C -0.572 176.025 176.600 -0.006 0.000 1.036 129 E CA 0.291 56.682 56.400 -0.014 0.000 0.876 129 E CB 1.128 30.819 29.700 -0.014 0.000 1.009 129 E HN 0.691 nan 8.360 nan 0.000 0.416 130 Q N 1.971 121.773 119.800 0.003 0.000 2.350 130 Q HA 0.324 4.664 4.340 -0.000 0.000 0.255 130 Q C -0.951 175.062 176.000 0.022 0.000 0.951 130 Q CA -0.247 55.564 55.803 0.013 0.000 0.751 130 Q CB 1.852 30.598 28.738 0.014 0.000 1.296 130 Q HN 0.323 nan 8.270 nan 0.000 0.453 131 E N 2.602 122.819 120.200 0.029 0.000 2.182 131 E HA 0.309 4.659 4.350 -0.000 0.000 0.258 131 E C -0.574 176.060 176.600 0.056 0.000 0.879 131 E CA -0.659 55.764 56.400 0.038 0.000 0.754 131 E CB 2.412 32.131 29.700 0.032 0.000 1.162 131 E HN 0.543 nan 8.360 nan 0.000 0.419 132 I N 3.685 124.297 120.570 0.069 0.000 2.919 132 I HA -0.157 4.013 4.170 -0.000 0.000 0.303 132 I C -0.793 175.378 176.117 0.089 0.000 1.221 132 I CA 0.144 61.498 61.300 0.092 0.000 1.444 132 I CB 0.334 38.401 38.000 0.111 0.000 1.331 132 I HN 0.384 nan 8.210 nan 0.000 0.572 133 L N 9.312 130.601 121.223 0.111 0.000 2.294 133 L HA 0.406 4.746 4.340 -0.000 0.000 0.283 133 L C -0.678 176.248 176.870 0.093 0.000 1.015 133 L CA -0.386 54.519 54.840 0.108 0.000 0.831 133 L CB 1.200 43.341 42.059 0.137 0.000 1.217 133 L HN 0.336 nan 8.230 nan 0.000 0.420 134 V N 4.795 124.745 119.914 0.060 0.000 2.555 134 V HA 0.239 4.358 4.120 -0.000 0.000 0.286 134 V C 1.390 177.492 176.094 0.012 0.000 1.044 134 V CA 0.627 62.942 62.300 0.025 0.000 1.026 134 V CB 0.867 32.701 31.823 0.018 0.000 0.981 134 V HN 0.948 nan 8.190 nan 0.000 0.480 135 T N -0.017 114.515 114.554 -0.037 0.000 3.003 135 T HA 0.312 4.661 4.350 -0.000 0.000 0.261 135 T C 1.377 176.033 174.700 -0.073 0.000 1.003 135 T CA 0.769 62.836 62.100 -0.055 0.000 0.917 135 T CB 0.537 69.325 68.868 -0.133 0.000 1.084 135 T HN 1.454 nan 8.240 nan 0.000 0.522 136 G N 2.008 110.772 108.800 -0.060 0.000 2.205 136 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.261 136 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.261 136 G C 0.021 174.890 174.900 -0.052 0.000 0.980 136 G CA 0.171 45.241 45.100 -0.051 0.000 0.632 136 G HN 0.595 nan 8.290 nan 0.000 0.533 137 I N 1.522 122.047 120.570 -0.075 0.000 2.301 137 I HA 0.257 4.427 4.170 -0.000 0.000 0.292 137 I C 1.508 177.606 176.117 -0.031 0.000 1.046 137 I CA -0.443 60.841 61.300 -0.027 0.000 1.282 137 I CB 0.883 38.852 38.000 -0.050 0.000 1.409 137 I HN 0.110 nan 8.210 nan 0.000 0.484 138 K N 4.050 124.445 120.400 -0.009 0.000 2.001 138 K HA -0.129 4.191 4.320 -0.000 0.000 0.214 138 K C 1.839 178.416 176.600 -0.039 0.000 1.050 138 K CA 1.301 57.582 56.287 -0.011 0.000 0.934 138 K CB -0.153 32.336 32.500 -0.018 0.000 0.718 138 K HN 0.444 nan 8.250 nan 0.000 0.443 139 V N 1.384 121.279 119.914 -0.032 0.000 2.252 139 V HA -0.277 3.843 4.120 -0.000 0.000 0.249 139 V C 2.383 178.430 176.094 -0.078 0.000 1.056 139 V CA 1.804 64.061 62.300 -0.071 0.000 1.022 139 V CB -0.617 31.199 31.823 -0.013 0.000 0.641 139 V HN 0.125 nan 8.190 nan 0.000 0.445 140 V N 0.495 120.360 119.914 -0.082 0.000 2.220 140 V HA -0.292 3.828 4.120 -0.000 0.000 0.246 140 V C 2.265 178.271 176.094 -0.146 0.000 1.049 140 V CA 2.480 64.679 62.300 -0.167 0.000 1.003 140 V CB -0.785 30.809 31.823 -0.381 0.000 0.634 140 V HN 0.607 nan 8.190 nan 0.000 0.444 141 D N -0.494 119.828 120.400 -0.130 0.000 2.263 141 D HA -0.123 4.517 4.640 -0.000 0.000 0.208 141 D C 1.873 178.215 176.300 0.070 0.000 0.971 141 D CA 0.997 54.974 54.000 -0.039 0.000 0.867 141 D CB 0.095 40.863 40.800 -0.053 0.000 0.929 141 D HN 0.350 nan 8.370 nan 0.000 0.492 142 L N 0.275 121.500 121.223 0.003 0.000 2.062 142 L HA -0.002 4.338 4.340 -0.000 0.000 0.202 142 L C 2.163 179.043 176.870 0.017 0.000 1.079 142 L CA 1.220 56.071 54.840 0.019 0.000 0.755 142 L CB -0.432 41.490 42.059 -0.227 0.000 0.913 142 L HN -0.100 nan 8.230 nan 0.000 0.445 143 L N -0.546 120.632 121.223 -0.074 0.000 2.102 143 L HA 0.177 4.517 4.340 -0.000 0.000 0.202 143 L C 1.000 177.852 176.870 -0.031 0.000 1.076 143 L CA 0.780 55.573 54.840 -0.079 0.000 0.761 143 L CB -0.514 41.488 42.059 -0.095 0.000 0.921 143 L HN 0.312 nan 8.230 nan 0.000 0.444 144 A N 0.625 123.449 122.820 0.006 0.000 3.159 144 A HA 0.422 4.742 4.320 -0.000 0.000 0.330 144 A C -2.474 175.169 177.584 0.098 0.000 1.032 144 A CA -1.208 50.867 52.037 0.063 0.000 0.841 144 A CB -0.312 18.751 19.000 0.105 0.000 1.093 144 A HN -0.072 nan 8.150 nan 0.000 0.478 145 P HA -0.059 nan 4.420 nan 0.000 0.264 145 P C -0.412 177.034 177.300 0.244 0.000 1.183 145 P CA 0.780 63.939 63.100 0.099 0.000 0.763 145 P CB 0.354 32.129 31.700 0.126 0.000 0.807 146 Y N 0.953 121.288 120.300 0.058 0.000 2.281 146 Y HA 0.394 4.944 4.550 0.000 0.000 0.337 146 Y C 1.165 177.088 175.900 0.039 0.000 1.304 146 Y CA -1.177 56.950 58.100 0.045 0.000 1.465 146 Y CB 0.921 39.404 38.460 0.040 0.000 1.350 146 Y HN 0.423 nan 8.280 nan 0.000 0.575 147 A N 1.907 124.833 122.820 0.176 0.000 2.435 147 A HA 0.388 4.708 4.320 -0.000 0.000 0.304 147 A C -1.074 176.546 177.584 0.058 0.000 1.064 147 A CA -1.051 51.045 52.037 0.099 0.000 0.727 147 A CB 1.324 20.363 19.000 0.065 0.000 1.284 147 A HN 0.751 nan 8.150 nan 0.000 0.415 148 K N 0.930 121.361 120.400 0.051 0.000 2.453 148 K HA 0.328 4.648 4.320 -0.000 0.000 0.280 148 K C 1.161 177.762 176.600 0.003 0.000 1.045 148 K CA 1.577 57.883 56.287 0.030 0.000 1.059 148 K CB -0.113 32.408 32.500 0.036 0.000 0.901 148 K HN 1.850 nan 8.250 nan 0.000 0.475 149 G N 2.690 111.478 108.800 -0.021 0.000 2.160 149 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.251 149 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.251 149 G C 0.312 175.182 174.900 -0.051 0.000 1.008 149 G CA 0.057 45.132 45.100 -0.040 0.000 0.724 149 G HN 0.904 nan 8.290 nan 0.000 0.514 150 G N -0.998 107.768 108.800 -0.056 0.000 2.531 150 G HA2 0.622 4.582 3.960 -0.000 0.000 0.313 150 G HA3 0.622 4.582 3.960 -0.000 0.000 0.313 150 G C -0.227 174.609 174.900 -0.105 0.000 1.238 150 G CA -0.858 44.206 45.100 -0.060 0.000 0.994 150 G HN 0.327 nan 8.290 nan 0.000 0.493 151 K N 0.039 120.383 120.400 -0.093 0.000 2.281 151 K HA 0.364 4.684 4.320 -0.000 0.000 0.272 151 K C -1.091 175.417 176.600 -0.154 0.000 1.048 151 K CA -0.390 55.825 56.287 -0.120 0.000 0.898 151 K CB 1.605 34.065 32.500 -0.067 0.000 1.128 151 K HN 0.105 nan 8.250 nan 0.000 0.460 152 I N 1.977 122.397 120.570 -0.251 0.000 2.336 152 I HA 0.251 4.421 4.170 -0.000 0.000 0.292 152 I C 0.568 176.535 176.117 -0.249 0.000 0.991 152 I CA -0.067 61.022 61.300 -0.350 0.000 1.227 152 I CB 1.777 39.374 38.000 -0.671 0.000 1.366 152 I HN 0.589 nan 8.210 nan 0.000 0.466 153 G N 6.896 115.598 108.800 -0.162 0.000 2.416 153 G HA2 0.688 4.648 3.960 -0.000 0.000 0.324 153 G HA3 0.688 4.648 3.960 -0.000 0.000 0.324 153 G C -1.000 173.829 174.900 -0.119 0.000 1.194 153 G CA -0.514 44.461 45.100 -0.210 0.000 0.922 153 G HN 0.458 nan 8.290 nan 0.000 0.467 154 L N 2.512 123.607 121.223 -0.214 0.000 2.324 154 L HA 0.423 4.762 4.340 -0.000 0.000 0.274 154 L C -0.839 175.961 176.870 -0.117 0.000 1.012 154 L CA -0.596 54.233 54.840 -0.018 0.000 0.859 154 L CB 0.862 42.949 42.059 0.047 0.000 1.224 154 L HN 0.332 nan 8.230 nan 0.000 0.429 155 F N 1.111 121.069 119.950 0.013 0.000 2.377 155 F HA 0.790 5.317 4.527 -0.000 0.000 0.328 155 F C 1.004 176.818 175.800 0.023 0.000 1.094 155 F CA -0.440 57.548 58.000 -0.020 0.000 1.093 155 F CB 1.912 40.887 39.000 -0.041 0.000 1.214 155 F HN 0.408 nan 8.300 nan 0.000 0.518 156 G N 0.394 109.302 108.800 0.180 0.000 2.503 156 G HA2 0.462 4.422 3.960 -0.000 0.000 0.305 156 G HA3 0.462 4.422 3.960 -0.000 0.000 0.305 156 G C -0.698 174.241 174.900 0.065 0.000 1.575 156 G CA -0.430 44.743 45.100 0.122 0.000 0.890 156 G HN 0.925 nan 8.290 nan 0.000 0.612 157 G N -0.047 108.774 108.800 0.035 0.000 2.683 157 G HA2 0.640 4.600 3.960 -0.000 0.000 0.260 157 G HA3 0.640 4.600 3.960 -0.000 0.000 0.260 157 G C 0.913 175.909 174.900 0.161 0.000 1.238 157 G CA 0.416 45.523 45.100 0.012 0.000 0.934 157 G HN 1.848 nan 8.290 nan 0.000 0.534 158 A N -0.833 122.145 122.820 0.263 0.000 2.545 158 A HA 0.501 4.821 4.320 -0.000 0.000 0.253 158 A C 1.532 179.192 177.584 0.127 0.000 1.074 158 A CA 1.002 53.178 52.037 0.232 0.000 0.760 158 A CB -0.767 18.355 19.000 0.204 0.000 1.005 158 A HN 2.593 nan 8.150 nan 0.000 0.506 159 G N 1.232 110.095 108.800 0.105 0.000 2.350 159 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.298 159 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.298 159 G C 0.532 175.483 174.900 0.084 0.000 1.037 159 G CA 0.866 46.010 45.100 0.074 0.000 1.074 159 G HN 2.249 nan 8.290 nan 0.000 0.511 160 V N -3.381 116.596 119.914 0.105 0.000 3.635 160 V HA 0.728 4.848 4.120 -0.000 0.000 0.266 160 V C 1.547 177.742 176.094 0.169 0.000 1.316 160 V CA 1.011 63.386 62.300 0.125 0.000 1.060 160 V CB 0.550 32.429 31.823 0.094 0.000 0.820 160 V HN 2.193 nan 8.190 nan 0.000 0.447 161 G N 0.708 109.586 108.800 0.129 0.000 2.207 161 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.193 161 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.193 161 G C 0.421 175.410 174.900 0.147 0.000 1.050 161 G CA 0.158 45.336 45.100 0.130 0.000 0.780 161 G HN 0.384 nan 8.290 nan 0.000 0.504 162 K N -0.202 120.278 120.400 0.134 0.000 2.007 162 K HA -0.012 4.308 4.320 -0.000 0.000 0.206 162 K C 2.521 179.210 176.600 0.148 0.000 1.047 162 K CA 1.801 58.172 56.287 0.140 0.000 0.937 162 K CB -0.234 32.339 32.500 0.122 0.000 0.718 162 K HN 0.232 nan 8.250 nan 0.000 0.438 163 T N 1.306 115.941 114.554 0.135 0.000 2.746 163 T HA -0.098 4.252 4.350 -0.000 0.000 0.267 163 T C 2.078 176.869 174.700 0.152 0.000 1.039 163 T CA 1.178 63.366 62.100 0.147 0.000 1.142 163 T CB -0.165 68.783 68.868 0.132 0.000 0.866 163 T HN -0.061 nan 8.240 nan 0.000 0.444 164 V N 1.434 121.433 119.914 0.141 0.000 2.358 164 V HA -0.072 4.048 4.120 -0.000 0.000 0.246 164 V C 2.366 178.611 176.094 0.252 0.000 1.047 164 V CA 1.110 63.519 62.300 0.183 0.000 1.035 164 V CB -0.660 31.230 31.823 0.111 0.000 0.658 164 V HN 0.309 nan 8.190 nan 0.000 0.452 165 L N 0.134 121.519 121.223 0.270 0.000 2.017 165 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 165 L C 2.162 179.150 176.870 0.197 0.000 1.073 165 L CA 1.864 56.894 54.840 0.316 0.000 0.745 165 L CB -0.563 41.684 42.059 0.314 0.000 0.894 165 L HN 0.270 nan 8.230 nan 0.000 0.432 166 I N -1.213 119.471 120.570 0.191 0.000 2.454 166 I HA -0.287 3.883 4.170 -0.000 0.000 0.254 166 I C 2.026 178.193 176.117 0.084 0.000 1.156 166 I CA 0.866 62.280 61.300 0.191 0.000 1.433 166 I CB 0.056 38.200 38.000 0.240 0.000 1.082 166 I HN 0.332 nan 8.210 nan 0.000 0.432 167 M N -0.210 119.430 119.600 0.067 0.000 2.200 167 M HA -0.176 4.304 4.480 -0.000 0.000 0.265 167 M C 2.138 178.408 176.300 -0.051 0.000 1.066 167 M CA 1.444 56.736 55.300 -0.013 0.000 1.127 167 M CB -1.225 31.404 32.600 0.047 0.000 1.379 167 M HN 0.168 nan 8.290 nan 0.000 0.420 168 E N 0.940 121.118 120.200 -0.037 0.000 2.106 168 E HA -0.069 4.281 4.350 -0.000 0.000 0.192 168 E C 1.960 178.469 176.600 -0.152 0.000 0.984 168 E CA 1.057 57.346 56.400 -0.185 0.000 0.806 168 E CB -0.419 28.942 29.700 -0.565 0.000 0.750 168 E HN 0.477 nan 8.360 nan 0.000 0.458 169 L N 0.106 121.298 121.223 -0.052 0.000 2.456 169 L HA -0.053 4.287 4.340 -0.000 0.000 0.224 169 L C 1.960 178.837 176.870 0.012 0.000 1.148 169 L CA 0.559 55.434 54.840 0.058 0.000 0.825 169 L CB -0.148 42.064 42.059 0.254 0.000 0.937 169 L HN 0.241 nan 8.230 nan 0.000 0.450 170 I N -1.130 119.340 120.570 -0.167 0.000 3.081 170 I HA -0.120 4.050 4.170 -0.000 0.000 0.274 170 I C 1.961 177.992 176.117 -0.143 0.000 1.178 170 I CA 0.494 61.613 61.300 -0.302 0.000 1.460 170 I CB 0.017 37.696 38.000 -0.536 0.000 1.137 170 I HN 0.253 nan 8.210 nan 0.000 0.443 171 N N 1.010 119.641 118.700 -0.115 0.000 2.409 171 N HA -0.110 4.630 4.740 -0.000 0.000 0.179 171 N C 1.498 176.976 175.510 -0.053 0.000 1.032 171 N CA 1.124 54.128 53.050 -0.077 0.000 0.898 171 N CB 0.235 38.679 38.487 -0.072 0.000 0.971 171 N HN 0.176 nan 8.380 nan 0.000 0.441 172 N N -0.682 117.985 118.700 -0.055 0.000 2.414 172 N HA 0.029 4.769 4.740 -0.000 0.000 0.189 172 N C 1.487 177.008 175.510 0.019 0.000 1.039 172 N CA 1.107 54.137 53.050 -0.032 0.000 0.889 172 N CB -0.277 38.170 38.487 -0.067 0.000 1.085 172 N HN 0.044 nan 8.380 nan 0.000 0.442 173 V N 1.161 121.108 119.914 0.056 0.000 2.725 173 V HA 0.151 4.271 4.120 -0.000 0.000 0.247 173 V C 2.285 178.467 176.094 0.146 0.000 1.058 173 V CA 1.340 63.707 62.300 0.112 0.000 1.080 173 V CB -0.811 31.107 31.823 0.158 0.000 0.713 173 V HN 0.226 nan 8.190 nan 0.000 0.465 174 A N 0.484 123.381 122.820 0.128 0.000 1.872 174 A HA -0.132 4.188 4.320 -0.000 0.000 0.214 174 A C 2.281 179.949 177.584 0.140 0.000 1.187 174 A CA 1.534 53.661 52.037 0.150 0.000 0.614 174 A CB -0.390 18.635 19.000 0.041 0.000 0.826 174 A HN 0.476 nan 8.150 nan 0.000 0.442 175 K N -0.155 120.283 120.400 0.063 0.000 2.113 175 K HA -0.102 4.218 4.320 -0.000 0.000 0.208 175 K C 1.402 178.043 176.600 0.067 0.000 1.047 175 K CA 1.284 57.600 56.287 0.047 0.000 0.928 175 K CB -0.289 32.218 32.500 0.010 0.000 0.716 175 K HN 0.403 nan 8.250 nan 0.000 0.446 176 A N 1.400 124.269 122.820 0.081 0.000 2.640 176 A HA 0.038 4.358 4.320 -0.000 0.000 0.282 176 A C -0.545 177.112 177.584 0.121 0.000 1.357 176 A CA -0.288 51.793 52.037 0.074 0.000 0.946 176 A CB -0.520 18.512 19.000 0.053 0.000 1.065 176 A HN 0.239 nan 8.150 nan 0.000 0.541 177 H N -0.597 118.500 119.070 0.045 0.000 2.488 177 H HA 0.513 5.069 4.556 -0.000 0.000 0.322 177 H C 0.755 176.103 175.328 0.033 0.000 1.078 177 H CA -0.130 55.947 56.048 0.050 0.000 1.260 177 H CB 1.298 31.111 29.762 0.085 0.000 1.425 177 H HN 0.082 nan 8.280 nan 0.000 0.471 178 G N 3.453 111.951 108.800 -0.503 0.000 3.458 178 G HA2 0.503 4.463 3.960 -0.000 0.000 0.256 178 G HA3 0.503 4.463 3.960 -0.000 0.000 0.256 178 G C 0.052 174.556 174.900 -0.660 0.000 0.938 178 G CA 0.342 45.193 45.100 -0.415 0.000 1.890 178 G HN 0.919 nan 8.290 nan 0.000 0.639 179 G N -0.378 108.006 108.800 -0.693 0.000 2.321 179 G HA2 0.341 4.301 3.960 -0.000 0.000 0.296 179 G HA3 0.341 4.301 3.960 -0.000 0.000 0.296 179 G C -1.002 174.010 174.900 0.187 0.000 1.287 179 G CA -1.109 43.739 45.100 -0.421 0.000 0.846 179 G HN 0.179 nan 8.290 nan 0.000 0.508 180 Y N -0.086 120.225 120.300 0.017 0.000 2.300 180 Y HA 0.590 5.140 4.550 -0.000 0.000 0.328 180 Y C 0.730 176.717 175.900 0.145 0.000 1.270 180 Y CA -0.461 57.611 58.100 -0.046 0.000 1.352 180 Y CB 1.750 39.868 38.460 -0.570 0.000 1.286 180 Y HN 0.357 nan 8.280 nan 0.000 0.536 181 S N 1.214 117.116 115.700 0.337 0.000 2.575 181 S HA 0.445 4.915 4.470 -0.000 0.000 0.278 181 S C -1.052 173.766 174.600 0.363 0.000 1.139 181 S CA -0.763 57.634 58.200 0.330 0.000 0.954 181 S CB 1.711 65.131 63.200 0.366 0.000 1.054 181 S HN 0.342 nan 8.310 nan 0.000 0.483 182 V N 3.687 123.811 119.914 0.350 0.000 2.483 182 V HA 0.616 4.736 4.120 -0.000 0.000 0.295 182 V C -0.856 175.451 176.094 0.355 0.000 1.035 182 V CA -0.659 61.826 62.300 0.309 0.000 0.896 182 V CB 1.223 33.165 31.823 0.197 0.000 0.986 182 V HN 0.823 nan 8.190 nan 0.000 0.447 183 F N 3.413 123.456 119.950 0.155 0.000 2.518 183 F HA 0.793 5.320 4.527 -0.000 0.000 0.323 183 F C 0.011 175.774 175.800 -0.063 0.000 1.129 183 F CA -0.520 57.543 58.000 0.105 0.000 0.920 183 F CB 1.398 40.457 39.000 0.099 0.000 1.160 183 F HN 0.590 nan 8.300 nan 0.000 0.440 184 A N 4.031 126.415 122.820 -0.726 0.000 2.318 184 A HA 0.692 5.012 4.320 -0.000 0.000 0.317 184 A C -0.243 176.810 177.584 -0.886 0.000 1.159 184 A CA -0.417 51.248 52.037 -0.621 0.000 0.799 184 A CB 0.769 19.545 19.000 -0.373 0.000 1.194 184 A HN 1.071 nan 8.150 nan 0.000 0.479 185 G N 0.947 109.223 108.800 -0.874 0.000 2.350 185 G HA2 0.499 4.459 3.960 -0.000 0.000 0.306 185 G HA3 0.499 4.459 3.960 -0.000 0.000 0.306 185 G C -0.649 174.092 174.900 -0.265 0.000 1.094 185 G CA -0.161 44.558 45.100 -0.635 0.000 0.953 185 G HN 0.763 nan 8.290 nan 0.000 0.420 186 V N 2.959 122.775 119.914 -0.163 0.000 2.284 186 V HA 0.530 4.650 4.120 -0.000 0.000 0.274 186 V C 1.128 177.221 176.094 -0.001 0.000 1.023 186 V CA 0.211 62.468 62.300 -0.072 0.000 0.808 186 V CB 0.630 32.408 31.823 -0.075 0.000 1.035 186 V HN 1.320 nan 8.190 nan 0.000 0.445 187 G N 3.183 111.995 108.800 0.021 0.000 2.283 187 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.280 187 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.280 187 G C 0.269 175.200 174.900 0.051 0.000 1.029 187 G CA 0.548 45.669 45.100 0.034 0.000 0.840 187 G HN 0.573 nan 8.290 nan 0.000 0.505 188 E N -0.545 119.700 120.200 0.076 0.000 3.362 188 E HA 0.422 4.772 4.350 -0.000 0.000 0.253 188 E C 1.020 177.675 176.600 0.092 0.000 0.962 188 E CA -0.720 55.731 56.400 0.086 0.000 1.399 188 E CB 0.445 30.217 29.700 0.120 0.000 1.668 188 E HN 0.436 nan 8.360 nan 0.000 0.563 189 R N 0.268 120.828 120.500 0.099 0.000 2.308 189 R HA 0.256 4.596 4.340 -0.000 0.000 0.305 189 R C 1.091 177.445 176.300 0.090 0.000 1.053 189 R CA -0.074 56.072 56.100 0.078 0.000 0.957 189 R CB 0.533 30.871 30.300 0.064 0.000 1.022 189 R HN 0.356 nan 8.270 nan 0.000 0.461 190 T N 1.897 116.481 114.554 0.050 0.000 2.833 190 T HA -0.151 4.199 4.350 -0.000 0.000 0.269 190 T C 1.742 176.422 174.700 -0.033 0.000 1.054 190 T CA 1.210 63.312 62.100 0.003 0.000 1.135 190 T CB -0.134 68.719 68.868 -0.026 0.000 0.869 190 T HN 0.514 nan 8.240 nan 0.000 0.466 191 R N 1.189 121.686 120.500 -0.006 0.000 2.105 191 R HA -0.114 4.226 4.340 -0.000 0.000 0.239 191 R C 2.062 178.358 176.300 -0.006 0.000 1.135 191 R CA 1.572 57.664 56.100 -0.014 0.000 0.967 191 R CB -0.096 30.209 30.300 0.009 0.000 0.861 191 R HN 0.496 nan 8.270 nan 0.000 0.442 192 E N -0.941 119.284 120.200 0.043 0.000 2.204 192 E HA -0.100 4.250 4.350 -0.000 0.000 0.194 192 E C 1.847 178.486 176.600 0.066 0.000 0.989 192 E CA 0.897 57.343 56.400 0.076 0.000 0.824 192 E CB -0.063 29.721 29.700 0.140 0.000 0.756 192 E HN 0.591 nan 8.360 nan 0.000 0.477 193 G N 1.498 110.312 108.800 0.024 0.000 2.402 193 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.216 193 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.216 193 G C 1.425 176.180 174.900 -0.242 0.000 1.162 193 G CA 0.956 45.938 45.100 -0.197 0.000 0.777 193 G HN 0.170 nan 8.290 nan 0.000 0.539 194 N N 0.816 119.383 118.700 -0.222 0.000 2.013 194 N HA -0.121 4.619 4.740 -0.000 0.000 0.195 194 N C 1.819 177.200 175.510 -0.216 0.000 1.051 194 N CA 1.897 54.781 53.050 -0.276 0.000 0.851 194 N CB -0.300 38.056 38.487 -0.218 0.000 1.044 194 N HN 0.174 nan 8.380 nan 0.000 0.422 195 D N -0.163 120.174 120.400 -0.105 0.000 2.177 195 D HA -0.208 4.432 4.640 -0.000 0.000 0.189 195 D C 1.921 178.195 176.300 -0.042 0.000 1.002 195 D CA 1.259 55.231 54.000 -0.046 0.000 0.845 195 D CB -0.628 40.166 40.800 -0.010 0.000 0.960 195 D HN 0.282 nan 8.370 nan 0.000 0.447 196 L N -0.594 120.598 121.223 -0.051 0.000 2.042 196 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 196 L C 2.160 179.011 176.870 -0.031 0.000 1.076 196 L CA 1.577 56.361 54.840 -0.093 0.000 0.749 196 L CB -0.586 41.353 42.059 -0.199 0.000 0.893 196 L HN 0.136 nan 8.230 nan 0.000 0.432 197 Y N 0.079 120.290 120.300 -0.147 0.000 2.070 197 Y HA -0.295 4.255 4.550 -0.000 0.000 0.279 197 Y C 2.620 178.528 175.900 0.013 0.000 1.134 197 Y CA 2.302 60.344 58.100 -0.096 0.000 1.113 197 Y CB -0.819 37.535 38.460 -0.176 0.000 0.981 197 Y HN 0.381 nan 8.280 nan 0.000 0.487 198 H N -0.715 118.302 119.070 -0.089 0.000 2.456 198 H HA -0.118 4.438 4.556 -0.000 0.000 0.296 198 H C 1.866 177.097 175.328 -0.161 0.000 1.079 198 H CA 1.018 56.954 56.048 -0.187 0.000 1.322 198 H CB 0.142 29.864 29.762 -0.066 0.000 1.388 198 H HN 0.529 nan 8.280 nan 0.000 0.538 199 E N 0.159 120.359 120.200 0.000 0.000 2.285 199 E HA -0.064 4.286 4.350 -0.000 0.000 0.194 199 E C 1.878 178.432 176.600 -0.076 0.000 0.997 199 E CA 0.346 56.722 56.400 -0.041 0.000 0.845 199 E CB 0.225 29.899 29.700 -0.044 0.000 0.782 199 E HN 0.515 nan 8.360 nan 0.000 0.491 200 M N 0.078 119.618 119.600 -0.099 0.000 2.388 200 M HA -0.004 4.476 4.480 -0.000 0.000 0.265 200 M C 2.137 178.363 176.300 -0.124 0.000 1.088 200 M CA 0.871 56.109 55.300 -0.103 0.000 1.134 200 M CB 0.002 32.550 32.600 -0.086 0.000 1.384 200 M HN 0.129 nan 8.290 nan 0.000 0.447 201 I N 0.051 120.507 120.570 -0.190 0.000 2.315 201 I HA -0.239 3.931 4.170 -0.000 0.000 0.248 201 I C 2.410 178.445 176.117 -0.137 0.000 1.117 201 I CA 0.963 62.136 61.300 -0.213 0.000 1.404 201 I CB -0.339 37.464 38.000 -0.327 0.000 1.071 201 I HN 0.269 nan 8.210 nan 0.000 0.419 202 E N 0.864 120.998 120.200 -0.112 0.000 2.006 202 E HA -0.169 4.181 4.350 -0.000 0.000 0.192 202 E C 2.313 178.873 176.600 -0.067 0.000 0.993 202 E CA 1.794 58.143 56.400 -0.084 0.000 0.808 202 E CB -0.569 29.090 29.700 -0.069 0.000 0.764 202 E HN 0.459 nan 8.360 nan 0.000 0.449 203 S N -0.192 115.470 115.700 -0.062 0.000 2.493 203 S HA -0.070 4.400 4.470 -0.000 0.000 0.243 203 S C 1.625 176.199 174.600 -0.044 0.000 0.991 203 S CA 1.248 59.419 58.200 -0.049 0.000 0.957 203 S CB -0.450 62.721 63.200 -0.048 0.000 0.756 203 S HN 0.445 nan 8.310 nan 0.000 0.521 204 G N -0.213 108.555 108.800 -0.054 0.000 2.148 204 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.254 204 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.254 204 G C 0.559 175.440 174.900 -0.032 0.000 0.981 204 G CA 0.218 45.292 45.100 -0.045 0.000 0.670 204 G HN 0.686 nan 8.290 nan 0.000 0.528 205 V N 0.024 119.918 119.914 -0.033 0.000 2.970 205 V HA 0.241 4.361 4.120 -0.000 0.000 0.260 205 V C 1.372 177.459 176.094 -0.011 0.000 1.100 205 V CA 1.505 63.798 62.300 -0.012 0.000 1.122 205 V CB -0.091 31.724 31.823 -0.012 0.000 0.721 205 V HN 0.509 nan 8.190 nan 0.000 0.483 206 I N 0.683 121.232 120.570 -0.035 0.000 2.466 206 I HA 0.382 4.552 4.170 -0.000 0.000 0.289 206 I C -0.628 175.459 176.117 -0.049 0.000 1.026 206 I CA -0.268 61.013 61.300 -0.032 0.000 1.078 206 I CB 1.852 39.821 38.000 -0.053 0.000 1.249 206 I HN 0.066 nan 8.210 nan 0.000 0.429 207 N N 6.639 125.322 118.700 -0.027 0.000 2.407 207 N HA 0.405 5.145 4.740 -0.000 0.000 0.277 207 N C 0.120 175.622 175.510 -0.014 0.000 0.995 207 N CA -0.423 52.610 53.050 -0.029 0.000 0.903 207 N CB 2.141 40.615 38.487 -0.021 0.000 1.218 207 N HN 0.590 nan 8.380 nan 0.000 0.487 208 L N 2.278 123.489 121.223 -0.019 0.000 2.529 208 L HA 0.177 4.517 4.340 -0.000 0.000 0.223 208 L C 1.572 178.444 176.870 0.003 0.000 1.113 208 L CA 0.372 55.214 54.840 0.003 0.000 0.861 208 L CB 0.070 42.129 42.059 -0.001 0.000 1.012 208 L HN 0.278 nan 8.230 nan 0.000 0.461 209 K N 0.234 120.630 120.400 -0.007 0.000 2.354 209 K HA 0.159 4.479 4.320 -0.000 0.000 0.194 209 K C -0.079 176.520 176.600 -0.003 0.000 1.038 209 K CA 0.366 56.650 56.287 -0.005 0.000 1.052 209 K CB 0.534 33.028 32.500 -0.011 0.000 0.861 209 K HN 0.482 nan 8.250 nan 0.000 0.535 210 D N -1.770 118.628 120.400 -0.004 0.000 3.344 210 D HA 0.353 4.993 4.640 -0.000 0.000 0.308 210 D C -0.510 175.788 176.300 -0.003 0.000 1.356 210 D CA -0.748 53.251 54.000 -0.002 0.000 0.998 210 D CB 0.240 41.038 40.800 -0.004 0.000 1.370 210 D HN -0.182 nan 8.370 nan 0.000 0.610 211 A N -0.543 122.274 122.820 -0.004 0.000 2.701 211 A HA 0.384 4.704 4.320 -0.000 0.000 0.297 211 A C 0.927 178.501 177.584 -0.018 0.000 1.197 211 A CA 0.279 52.309 52.037 -0.010 0.000 0.963 211 A CB -0.797 18.201 19.000 -0.004 0.000 1.175 211 A HN 0.540 nan 8.150 nan 0.000 0.531 212 T N -2.695 111.850 114.554 -0.015 0.000 3.107 212 T HA 0.114 4.464 4.350 -0.000 0.000 0.249 212 T C 0.719 175.405 174.700 -0.024 0.000 1.096 212 T CA 0.364 62.456 62.100 -0.012 0.000 1.012 212 T CB -0.380 68.485 68.868 -0.005 0.000 0.977 212 T HN 0.184 nan 8.240 nan 0.000 0.527 213 S N 2.172 117.851 115.700 -0.036 0.000 2.575 213 S HA 0.130 4.600 4.470 -0.000 0.000 0.295 213 S C 0.820 175.370 174.600 -0.082 0.000 1.267 213 S CA -0.183 57.994 58.200 -0.037 0.000 1.074 213 S CB 0.543 63.730 63.200 -0.021 0.000 0.829 213 S HN 0.434 nan 8.310 nan 0.000 0.497 214 K N 1.465 121.848 120.400 -0.030 0.000 2.438 214 K HA 0.266 4.586 4.320 -0.000 0.000 0.205 214 K C -0.793 175.840 176.600 0.054 0.000 1.033 214 K CA 0.090 56.367 56.287 -0.017 0.000 1.089 214 K CB 0.732 33.292 32.500 0.100 0.000 0.857 214 K HN 0.345 nan 8.250 nan 0.000 0.522 215 V N 1.005 120.960 119.914 0.068 0.000 2.760 215 V HA 0.487 4.607 4.120 -0.000 0.000 0.309 215 V C -0.881 175.314 176.094 0.169 0.000 1.077 215 V CA -1.157 61.235 62.300 0.154 0.000 0.910 215 V CB 1.796 33.712 31.823 0.155 0.000 1.008 215 V HN 0.151 nan 8.190 nan 0.000 0.424 216 A N 5.263 128.224 122.820 0.235 0.000 2.305 216 A HA 0.899 5.219 4.320 -0.000 0.000 0.322 216 A C -0.895 176.825 177.584 0.226 0.000 1.187 216 A CA -0.503 51.661 52.037 0.212 0.000 0.825 216 A CB 0.765 19.902 19.000 0.229 0.000 1.164 216 A HN 0.784 nan 8.150 nan 0.000 0.498 217 L N 2.658 124.009 121.223 0.213 0.000 2.322 217 L HA 0.616 4.956 4.340 -0.000 0.000 0.281 217 L C -1.007 175.989 176.870 0.210 0.000 1.014 217 L CA -0.852 54.159 54.840 0.284 0.000 0.815 217 L CB 1.875 44.167 42.059 0.388 0.000 1.247 217 L HN 0.451 nan 8.230 nan 0.000 0.421 218 V N 2.932 122.922 119.914 0.127 0.000 2.577 218 V HA 0.486 4.606 4.120 -0.000 0.000 0.303 218 V C -1.266 174.783 176.094 -0.074 0.000 1.042 218 V CA -0.736 61.589 62.300 0.040 0.000 0.872 218 V CB 1.752 33.542 31.823 -0.055 0.000 0.998 218 V HN 0.456 nan 8.190 nan 0.000 0.423 219 Y N 1.382 121.691 120.300 0.016 0.000 2.492 219 Y HA 0.778 5.328 4.550 -0.000 0.000 0.346 219 Y C 0.503 176.404 175.900 0.001 0.000 0.997 219 Y CA -0.670 57.440 58.100 0.018 0.000 1.025 219 Y CB 2.930 41.404 38.460 0.024 0.000 1.263 219 Y HN 0.749 nan 8.280 nan 0.000 0.454 220 G N 3.302 112.187 108.800 0.142 0.000 3.594 220 G HA2 0.286 4.246 3.960 -0.000 0.000 0.295 220 G HA3 0.286 4.246 3.960 -0.000 0.000 0.295 220 G C -0.971 173.979 174.900 0.083 0.000 1.576 220 G CA -0.562 44.589 45.100 0.084 0.000 0.661 220 G HN 0.286 nan 8.290 nan 0.000 0.452 221 Q N 0.774 120.646 119.800 0.120 0.000 2.225 221 Q HA 0.383 4.723 4.340 -0.000 0.000 0.177 221 Q C 2.036 178.070 176.000 0.057 0.000 1.073 221 Q CA -0.722 55.144 55.803 0.104 0.000 1.134 221 Q CB 0.444 29.265 28.738 0.138 0.000 1.210 221 Q HN 0.472 nan 8.270 nan 0.000 0.599 222 M N 1.542 121.172 119.600 0.050 0.000 2.073 222 M HA -0.243 4.237 4.480 -0.000 0.000 0.258 222 M C 1.645 177.958 176.300 0.021 0.000 1.070 222 M CA 1.914 57.232 55.300 0.029 0.000 1.103 222 M CB -0.501 32.115 32.600 0.027 0.000 1.321 222 M HN 0.613 nan 8.290 nan 0.000 0.405 223 N N 0.303 119.016 118.700 0.021 0.000 2.503 223 N HA -0.137 4.603 4.740 -0.000 0.000 0.189 223 N C -0.261 175.256 175.510 0.012 0.000 1.048 223 N CA 0.992 54.050 53.050 0.014 0.000 0.905 223 N CB -0.549 37.945 38.487 0.011 0.000 0.951 223 N HN 0.302 nan 8.380 nan 0.000 0.446 224 E N 1.563 121.773 120.200 0.017 0.000 2.283 224 E HA 0.371 4.721 4.350 -0.000 0.000 0.278 224 E C -2.159 174.444 176.600 0.005 0.000 1.027 224 E CA -2.428 53.980 56.400 0.013 0.000 0.843 224 E CB 0.661 30.374 29.700 0.020 0.000 1.062 224 E HN 0.211 nan 8.360 nan 0.000 0.401 225 P HA -0.008 nan 4.420 nan 0.000 0.269 225 P C -1.632 175.660 177.300 -0.012 0.000 1.215 225 P CA -0.793 62.303 63.100 -0.005 0.000 0.780 225 P CB 0.200 31.898 31.700 -0.003 0.000 0.898 226 P HA -0.298 nan 4.420 nan 0.000 0.217 226 P C 1.499 178.775 177.300 -0.041 0.000 1.158 226 P CA 2.416 65.491 63.100 -0.041 0.000 0.887 226 P CB -0.681 30.988 31.700 -0.051 0.000 0.792 227 G N 0.591 109.375 108.800 -0.027 0.000 2.574 227 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.220 227 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.220 227 G C 1.881 176.778 174.900 -0.006 0.000 1.173 227 G CA 1.982 47.073 45.100 -0.016 0.000 0.772 227 G HN 0.467 nan 8.290 nan 0.000 0.585 228 A N 0.709 123.529 122.820 -0.000 0.000 1.845 228 A HA -0.027 4.293 4.320 -0.000 0.000 0.215 228 A C 2.427 180.013 177.584 0.004 0.000 1.195 228 A CA 1.828 53.870 52.037 0.008 0.000 0.616 228 A CB -0.538 18.470 19.000 0.012 0.000 0.832 228 A HN 0.364 nan 8.150 nan 0.000 0.443 229 R N -0.396 120.101 120.500 -0.005 0.000 2.211 229 R HA -0.124 4.216 4.340 -0.000 0.000 0.240 229 R C 2.018 178.314 176.300 -0.007 0.000 1.144 229 R CA 1.007 57.103 56.100 -0.007 0.000 0.992 229 R CB -0.444 29.843 30.300 -0.021 0.000 0.869 229 R HN 0.524 nan 8.270 nan 0.000 0.462 230 A N 0.261 123.063 122.820 -0.031 0.000 2.206 230 A HA 0.005 4.325 4.320 -0.000 0.000 0.211 230 A C 1.637 179.252 177.584 0.050 0.000 1.158 230 A CA 0.702 52.701 52.037 -0.063 0.000 0.761 230 A CB 0.181 19.116 19.000 -0.109 0.000 0.801 230 A HN 0.071 nan 8.150 nan 0.000 0.473 231 R N -1.569 118.962 120.500 0.052 0.000 2.492 231 R HA 0.080 4.420 4.340 -0.000 0.000 0.219 231 R C 1.770 178.069 176.300 -0.001 0.000 0.886 231 R CA 1.201 57.326 56.100 0.042 0.000 1.003 231 R CB -0.629 29.688 30.300 0.028 0.000 1.345 231 R HN 0.385 nan 8.270 nan 0.000 0.631 232 V N 0.919 120.832 119.914 -0.003 0.000 2.317 232 V HA -0.231 3.889 4.120 -0.000 0.000 0.251 232 V C 2.521 178.572 176.094 -0.072 0.000 1.065 232 V CA 2.159 64.438 62.300 -0.036 0.000 1.049 232 V CB -1.386 30.416 31.823 -0.035 0.000 0.651 232 V HN 0.191 nan 8.190 nan 0.000 0.450 233 A N 0.800 123.589 122.820 -0.051 0.000 1.917 233 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 233 A C 2.260 179.752 177.584 -0.154 0.000 1.182 233 A CA 2.383 54.351 52.037 -0.116 0.000 0.633 233 A CB -0.670 18.266 19.000 -0.106 0.000 0.819 233 A HN 0.581 nan 8.150 nan 0.000 0.448 234 L N -1.090 120.056 121.223 -0.130 0.000 2.217 234 L HA -0.107 4.233 4.340 -0.000 0.000 0.211 234 L C 2.686 179.463 176.870 -0.155 0.000 1.107 234 L CA 1.406 56.142 54.840 -0.174 0.000 0.783 234 L CB -0.975 40.947 42.059 -0.227 0.000 0.919 234 L HN 0.345 nan 8.230 nan 0.000 0.442 235 T N 0.099 114.580 114.554 -0.123 0.000 2.614 235 T HA -0.125 4.225 4.350 -0.000 0.000 0.263 235 T C 1.925 176.560 174.700 -0.107 0.000 1.055 235 T CA 1.540 63.579 62.100 -0.102 0.000 1.162 235 T CB -0.664 68.162 68.868 -0.071 0.000 0.863 235 T HN 0.513 nan 8.240 nan 0.000 0.414 236 G N 1.779 110.512 108.800 -0.113 0.000 2.469 236 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.219 236 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.219 236 G C 1.560 176.392 174.900 -0.113 0.000 1.150 236 G CA 1.181 46.212 45.100 -0.114 0.000 0.763 236 G HN 0.438 nan 8.290 nan 0.000 0.561 237 L N 0.885 122.029 121.223 -0.131 0.000 2.083 237 L HA 0.004 4.344 4.340 -0.000 0.000 0.209 237 L C 2.700 179.509 176.870 -0.101 0.000 1.083 237 L CA 2.704 57.469 54.840 -0.125 0.000 0.752 237 L CB -1.099 40.868 42.059 -0.152 0.000 0.899 237 L HN 0.156 nan 8.230 nan 0.000 0.433 238 T N -0.864 113.626 114.554 -0.106 0.000 2.777 238 T HA -0.136 4.214 4.350 -0.000 0.000 0.266 238 T C 1.990 176.623 174.700 -0.111 0.000 1.040 238 T CA 1.635 63.681 62.100 -0.090 0.000 1.141 238 T CB -0.368 68.447 68.868 -0.090 0.000 0.868 238 T HN 0.226 nan 8.240 nan 0.000 0.444 239 V N 1.723 121.546 119.914 -0.152 0.000 2.332 239 V HA -0.181 3.939 4.120 -0.000 0.000 0.248 239 V C 2.781 178.694 176.094 -0.303 0.000 1.055 239 V CA 1.790 63.936 62.300 -0.256 0.000 1.038 239 V CB -1.035 30.668 31.823 -0.199 0.000 0.651 239 V HN 0.536 nan 8.190 nan 0.000 0.450 240 A N -1.052 121.702 122.820 -0.110 0.000 2.119 240 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 240 A C 2.133 179.738 177.584 0.034 0.000 1.152 240 A CA 1.042 53.094 52.037 0.026 0.000 0.708 240 A CB -0.304 18.721 19.000 0.042 0.000 0.805 240 A HN 0.618 nan 8.150 nan 0.000 0.460 241 E N -1.429 118.761 120.200 -0.017 0.000 2.046 241 E HA -0.183 4.167 4.350 -0.000 0.000 0.190 241 E C 1.739 178.364 176.600 0.041 0.000 0.982 241 E CA 1.256 57.660 56.400 0.007 0.000 0.800 241 E CB -0.288 29.408 29.700 -0.006 0.000 0.756 241 E HN 0.759 nan 8.360 nan 0.000 0.449 242 Y N 0.453 120.677 120.300 -0.126 0.000 2.207 242 Y HA -0.214 4.336 4.550 -0.000 0.000 0.287 242 Y C 1.713 177.645 175.900 0.054 0.000 1.156 242 Y CA 1.555 59.592 58.100 -0.105 0.000 1.182 242 Y CB -0.210 38.099 38.460 -0.252 0.000 0.979 242 Y HN 0.014 nan 8.280 nan 0.000 0.521 243 F N -0.836 119.217 119.950 0.171 0.000 2.407 243 F HA -0.089 4.438 4.527 -0.000 0.000 0.299 243 F C 2.597 178.401 175.800 0.006 0.000 1.097 243 F CA 0.540 58.615 58.000 0.124 0.000 1.422 243 F CB -0.085 39.051 39.000 0.228 0.000 1.067 243 F HN -0.035 nan 8.300 nan 0.000 0.539 244 R N 0.466 121.064 120.500 0.164 0.000 2.090 244 R HA -0.077 4.263 4.340 -0.000 0.000 0.219 244 R C 1.373 177.671 176.300 -0.003 0.000 1.100 244 R CA 1.391 57.528 56.100 0.061 0.000 0.991 244 R CB -0.012 30.310 30.300 0.036 0.000 0.893 244 R HN 0.151 nan 8.270 nan 0.000 0.443 245 D N 0.406 120.782 120.400 -0.039 0.000 2.355 245 D HA -0.072 4.567 4.640 -0.000 0.000 0.233 245 D C 1.387 177.606 176.300 -0.135 0.000 0.997 245 D CA 0.539 54.492 54.000 -0.079 0.000 0.920 245 D CB -0.384 40.372 40.800 -0.073 0.000 1.063 245 D HN 0.102 nan 8.370 nan 0.000 0.465 246 Q N 0.715 120.350 119.800 -0.275 0.000 2.576 246 Q HA -0.052 4.288 4.340 -0.000 0.000 0.219 246 Q C 0.564 176.439 176.000 -0.208 0.000 0.976 246 Q CA 0.836 56.429 55.803 -0.349 0.000 0.977 246 Q CB 0.093 28.318 28.738 -0.855 0.000 0.988 246 Q HN 0.564 nan 8.270 nan 0.000 0.555 247 E N -2.438 117.689 120.200 -0.122 0.000 2.756 247 E HA 0.150 4.500 4.350 -0.000 0.000 0.218 247 E C 0.913 177.472 176.600 -0.069 0.000 1.042 247 E CA 0.411 56.766 56.400 -0.076 0.000 1.713 247 E CB 0.607 30.277 29.700 -0.051 0.000 2.443 247 E HN 0.249 nan 8.360 nan 0.000 1.080 248 G N 2.049 110.816 108.800 -0.056 0.000 2.284 248 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.247 248 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.247 248 G C 0.389 175.260 174.900 -0.049 0.000 1.012 248 G CA 0.641 45.712 45.100 -0.047 0.000 0.618 248 G HN 0.253 nan 8.290 nan 0.000 0.521 249 Q N 1.179 120.932 119.800 -0.080 0.000 2.427 249 Q HA 0.164 4.504 4.340 -0.000 0.000 0.310 249 Q C -0.424 175.541 176.000 -0.058 0.000 1.167 249 Q CA 0.824 56.556 55.803 -0.119 0.000 0.991 249 Q CB 0.066 28.650 28.738 -0.256 0.000 1.287 249 Q HN 0.455 nan 8.270 nan 0.000 0.443 250 D N 1.068 121.448 120.400 -0.034 0.000 2.390 250 D HA 0.261 4.901 4.640 -0.000 0.000 0.249 250 D C -1.121 175.265 176.300 0.144 0.000 1.144 250 D CA 0.085 54.129 54.000 0.073 0.000 0.880 250 D CB 0.997 41.900 40.800 0.171 0.000 1.182 250 D HN 0.198 nan 8.370 nan 0.000 0.451 251 V N 3.248 123.215 119.914 0.087 0.000 2.656 251 V HA 0.413 4.533 4.120 -0.000 0.000 0.307 251 V C -0.250 175.806 176.094 -0.062 0.000 1.051 251 V CA -0.916 61.437 62.300 0.088 0.000 0.893 251 V CB 1.717 33.630 31.823 0.150 0.000 0.999 251 V HN 0.367 nan 8.190 nan 0.000 0.426 252 L N 4.845 125.998 121.223 -0.116 0.000 2.313 252 L HA 0.614 4.954 4.340 -0.000 0.000 0.283 252 L C -0.933 175.793 176.870 -0.240 0.000 1.013 252 L CA -0.610 54.063 54.840 -0.279 0.000 0.816 252 L CB 1.756 43.658 42.059 -0.260 0.000 1.236 252 L HN 0.491 nan 8.230 nan 0.000 0.419 253 L N 4.265 125.223 121.223 -0.441 0.000 2.316 253 L HA 0.557 4.897 4.340 -0.000 0.000 0.280 253 L C -1.317 175.247 176.870 -0.510 0.000 1.006 253 L CA 0.134 54.787 54.840 -0.312 0.000 0.836 253 L CB 0.780 42.720 42.059 -0.199 0.000 1.221 253 L HN 0.195 nan 8.230 nan 0.000 0.418 254 F N 6.032 125.958 119.950 -0.040 0.000 2.411 254 F HA 0.555 5.082 4.527 -0.000 0.000 0.352 254 F C 0.105 175.669 175.800 -0.394 0.000 1.123 254 F CA -0.510 57.443 58.000 -0.079 0.000 1.044 254 F CB 1.250 40.385 39.000 0.225 0.000 1.135 254 F HN 0.235 nan 8.300 nan 0.000 0.461 255 I N 3.219 123.644 120.570 -0.240 0.000 2.390 255 I HA 0.148 4.318 4.170 -0.000 0.000 0.283 255 I C -0.539 175.394 176.117 -0.307 0.000 1.016 255 I CA -0.520 60.548 61.300 -0.385 0.000 1.151 255 I CB 1.190 39.026 38.000 -0.273 0.000 1.293 255 I HN 0.509 nan 8.210 nan 0.000 0.458 256 D N 8.096 128.239 120.400 -0.428 0.000 2.402 256 D HA 0.040 4.680 4.640 -0.000 0.000 0.235 256 D C -0.095 176.170 176.300 -0.059 0.000 1.226 256 D CA 0.388 54.318 54.000 -0.117 0.000 0.918 256 D CB 0.356 41.212 40.800 0.093 0.000 1.043 256 D HN 0.557 nan 8.370 nan 0.000 0.506 257 N N 3.709 122.397 118.700 -0.020 0.000 2.556 257 N HA -0.208 4.532 4.740 -0.000 0.000 0.276 257 N C 0.850 176.396 175.510 0.059 0.000 1.259 257 N CA -0.074 53.007 53.050 0.051 0.000 0.654 257 N CB -0.665 37.898 38.487 0.128 0.000 0.889 257 N HN 0.490 nan 8.380 nan 0.000 0.547 258 I N 1.987 122.560 120.570 0.005 0.000 2.700 258 I HA -0.148 4.022 4.170 -0.000 0.000 0.261 258 I C 1.924 178.117 176.117 0.126 0.000 1.219 258 I CA 1.084 62.380 61.300 -0.007 0.000 1.463 258 I CB -0.289 37.637 38.000 -0.124 0.000 1.092 258 I HN 0.561 nan 8.210 nan 0.000 0.452 259 F N 1.324 121.300 119.950 0.044 0.000 2.307 259 F HA -0.178 4.349 4.527 0.000 0.000 0.301 259 F C 2.094 177.976 175.800 0.138 0.000 1.076 259 F CA 1.311 59.381 58.000 0.116 0.000 1.383 259 F CB -0.270 38.842 39.000 0.187 0.000 1.055 259 F HN -0.019 nan 8.300 nan 0.000 0.526 260 R N -0.247 120.251 120.500 -0.003 0.000 2.323 260 R HA -0.075 4.265 4.340 -0.000 0.000 0.198 260 R C 1.788 178.024 176.300 -0.108 0.000 0.988 260 R CA 0.572 56.603 56.100 -0.115 0.000 1.041 260 R CB -1.410 28.899 30.300 0.016 0.000 0.926 260 R HN 0.504 nan 8.270 nan 0.000 0.476 261 F N 0.502 120.340 119.950 -0.187 0.000 2.387 261 F HA 0.030 4.557 4.527 -0.000 0.000 0.294 261 F C 1.487 177.192 175.800 -0.157 0.000 1.093 261 F CA 0.940 58.852 58.000 -0.146 0.000 1.420 261 F CB 0.198 39.121 39.000 -0.128 0.000 1.086 261 F HN -0.199 nan 8.300 nan 0.000 0.531 262 T N 0.008 114.361 114.554 -0.335 0.000 3.054 262 T HA -0.067 4.283 4.350 -0.000 0.000 0.259 262 T C 1.769 176.278 174.700 -0.319 0.000 1.092 262 T CA 0.969 62.846 62.100 -0.371 0.000 1.121 262 T CB -0.044 68.744 68.868 -0.134 0.000 0.912 262 T HN 0.428 nan 8.240 nan 0.000 0.489 263 Q N 0.965 120.489 119.800 -0.460 0.000 2.096 263 Q HA 0.064 4.404 4.340 -0.000 0.000 0.197 263 Q C 2.509 178.376 176.000 -0.223 0.000 0.964 263 Q CA 1.053 56.652 55.803 -0.340 0.000 0.838 263 Q CB -0.263 28.202 28.738 -0.455 0.000 0.906 263 Q HN 0.455 nan 8.270 nan 0.000 0.444 264 A N 0.904 123.577 122.820 -0.244 0.000 1.884 264 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 264 A C 2.283 179.755 177.584 -0.187 0.000 1.197 264 A CA 1.968 53.895 52.037 -0.184 0.000 0.637 264 A CB -1.609 17.280 19.000 -0.185 0.000 0.827 264 A HN 0.610 nan 8.150 nan 0.000 0.450 265 G N -0.791 107.844 108.800 -0.275 0.000 2.471 265 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.219 265 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.219 265 G C 1.821 176.641 174.900 -0.134 0.000 1.125 265 G CA 1.632 46.596 45.100 -0.227 0.000 0.775 265 G HN 0.938 nan 8.290 nan 0.000 0.548 266 S N -0.148 115.482 115.700 -0.116 0.000 2.489 266 S HA 0.072 4.542 4.470 -0.000 0.000 0.228 266 S C 1.706 176.259 174.600 -0.078 0.000 0.995 266 S CA 0.964 59.123 58.200 -0.067 0.000 0.934 266 S CB -0.029 63.137 63.200 -0.056 0.000 0.771 266 S HN 0.486 nan 8.310 nan 0.000 0.522 267 E N 0.559 120.709 120.200 -0.083 0.000 2.479 267 E HA 0.092 4.442 4.350 -0.000 0.000 0.193 267 E C 1.172 177.741 176.600 -0.052 0.000 1.049 267 E CA 0.587 56.949 56.400 -0.064 0.000 0.870 267 E CB 0.748 30.412 29.700 -0.059 0.000 0.944 267 E HN 0.662 nan 8.360 nan 0.000 0.492 268 V N -3.909 115.971 119.914 -0.056 0.000 3.382 268 V HA 0.184 4.304 4.120 -0.000 0.000 0.296 268 V C 1.670 177.743 176.094 -0.036 0.000 1.529 268 V CA 0.313 62.587 62.300 -0.042 0.000 1.048 268 V CB 0.666 32.463 31.823 -0.043 0.000 0.878 268 V HN 0.056 nan 8.190 nan 0.000 0.442 269 S N 2.243 117.919 115.700 -0.039 0.000 2.378 269 S HA -0.209 4.261 4.470 -0.000 0.000 0.221 269 S C 2.288 176.877 174.600 -0.018 0.000 1.037 269 S CA 2.985 61.168 58.200 -0.028 0.000 1.069 269 S CB -0.568 62.619 63.200 -0.022 0.000 1.006 269 S HN 1.309 nan 8.310 nan 0.000 0.423 270 A N 1.756 124.565 122.820 -0.018 0.000 1.881 270 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 270 A C 2.265 179.843 177.584 -0.010 0.000 1.215 270 A CA 2.050 54.079 52.037 -0.013 0.000 0.648 270 A CB -1.324 17.666 19.000 -0.016 0.000 0.832 270 A HN 0.641 nan 8.150 nan 0.000 0.455 271 L N -0.837 120.378 121.223 -0.012 0.000 2.642 271 L HA -0.054 4.286 4.340 -0.000 0.000 0.236 271 L C 1.417 178.284 176.870 -0.006 0.000 1.169 271 L CA 0.352 55.187 54.840 -0.009 0.000 0.851 271 L CB -0.269 41.783 42.059 -0.011 0.000 0.968 271 L HN 0.399 nan 8.230 nan 0.000 0.453 272 L N -0.724 120.495 121.223 -0.007 0.000 2.728 272 L HA 0.267 4.607 4.340 -0.000 0.000 0.238 272 L C 0.865 177.735 176.870 0.001 0.000 1.143 272 L CA -0.113 54.726 54.840 -0.003 0.000 0.937 272 L CB 0.195 42.249 42.059 -0.008 0.000 1.225 272 L HN 0.300 nan 8.230 nan 0.000 0.507 273 G N 2.010 110.810 108.800 -0.000 0.000 2.438 273 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.272 273 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.272 273 G C -0.288 174.614 174.900 0.002 0.000 0.991 273 G CA -0.188 44.913 45.100 0.002 0.000 1.348 273 G HN 0.423 nan 8.290 nan 0.000 0.483 274 R N 0.621 121.121 120.500 0.001 0.000 2.533 274 R HA 0.419 4.759 4.340 -0.000 0.000 0.288 274 R C 0.550 176.853 176.300 0.004 0.000 1.039 274 R CA -1.089 55.013 56.100 0.003 0.000 0.909 274 R CB 1.620 31.921 30.300 0.002 0.000 1.195 274 R HN 0.352 nan 8.270 nan 0.000 0.438 275 I N 4.907 125.481 120.570 0.007 0.000 2.752 275 I HA 0.037 4.207 4.170 -0.000 0.000 0.287 275 I C -1.456 174.668 176.117 0.012 0.000 1.188 275 I CA -1.070 60.235 61.300 0.008 0.000 1.427 275 I CB 0.305 38.311 38.000 0.010 0.000 1.365 275 I HN 0.300 nan 8.210 nan 0.000 0.585 276 P HA 0.118 nan 4.420 nan 0.000 0.277 276 P C -0.621 176.695 177.300 0.027 0.000 1.240 276 P CA -0.334 62.775 63.100 0.014 0.000 0.798 276 P CB 1.622 33.323 31.700 0.001 0.000 0.979 277 S N 0.660 116.388 115.700 0.046 0.000 2.713 277 S HA 0.634 5.104 4.470 -0.000 0.000 0.296 277 S C -0.137 174.507 174.600 0.073 0.000 1.114 277 S CA -0.550 57.687 58.200 0.061 0.000 0.997 277 S CB 0.246 63.493 63.200 0.080 0.000 1.249 277 S HN 0.607 nan 8.310 nan 0.000 0.534 278 A N 0.567 123.440 122.820 0.088 0.000 2.546 278 A HA 0.407 4.727 4.320 -0.000 0.000 0.243 278 A C 0.922 178.594 177.584 0.147 0.000 1.063 278 A CA 0.464 52.559 52.037 0.096 0.000 0.757 278 A CB -1.016 18.039 19.000 0.092 0.000 0.991 278 A HN 1.665 nan 8.150 nan 0.000 0.503 279 V N 1.629 121.603 119.914 0.100 0.000 4.032 279 V HA -0.311 3.809 4.120 -0.000 0.000 0.231 279 V C 1.891 177.951 176.094 -0.057 0.000 0.429 279 V CA 1.496 63.844 62.300 0.080 0.000 0.934 279 V CB -2.499 29.459 31.823 0.226 0.000 1.004 279 V HN 2.913 nan 8.190 nan 0.000 1.283 280 G N -2.290 106.487 108.800 -0.039 0.000 2.257 280 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.267 280 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.267 280 G C 0.058 174.876 174.900 -0.137 0.000 0.984 280 G CA 0.665 45.700 45.100 -0.109 0.000 0.626 280 G HN 0.916 nan 8.290 nan 0.000 0.540 281 Y N 2.094 122.411 120.300 0.029 0.000 2.335 281 Y HA 0.339 4.889 4.550 -0.000 0.000 0.348 281 Y C 1.601 177.502 175.900 0.002 0.000 1.280 281 Y CA 0.184 58.294 58.100 0.016 0.000 1.504 281 Y CB 0.341 38.822 38.460 0.034 0.000 1.366 281 Y HN 0.421 nan 8.280 nan 0.000 0.621 282 Q N 1.131 121.041 119.800 0.183 0.000 2.454 282 Q HA 0.099 4.439 4.340 -0.000 0.000 0.247 282 Q C -2.403 173.649 176.000 0.086 0.000 1.028 282 Q CA -1.664 54.189 55.803 0.083 0.000 0.910 282 Q CB 0.301 29.060 28.738 0.035 0.000 1.276 282 Q HN 0.364 nan 8.270 nan 0.000 0.489 283 P HA -0.056 nan 4.420 nan 0.000 0.220 283 P C 0.981 178.308 177.300 0.044 0.000 1.152 283 P CA 1.591 64.720 63.100 0.049 0.000 0.812 283 P CB 0.018 31.738 31.700 0.034 0.000 0.792 284 T N -2.913 111.662 114.554 0.035 0.000 3.215 284 T HA 0.035 4.385 4.350 -0.000 0.000 0.254 284 T C 1.581 176.307 174.700 0.042 0.000 1.149 284 T CA -0.066 62.054 62.100 0.034 0.000 1.042 284 T CB -1.117 67.764 68.868 0.022 0.000 0.966 284 T HN -0.005 nan 8.240 nan 0.000 0.534 285 L N 1.053 122.303 121.223 0.044 0.000 1.991 285 L HA -0.241 4.099 4.340 -0.000 0.000 0.221 285 L C 2.814 179.721 176.870 0.060 0.000 1.079 285 L CA 2.272 57.134 54.840 0.036 0.000 0.778 285 L CB -0.911 41.156 42.059 0.015 0.000 0.893 285 L HN 0.408 nan 8.230 nan 0.000 0.437 286 A N -0.947 121.910 122.820 0.061 0.000 1.969 286 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 286 A C 2.238 179.887 177.584 0.107 0.000 1.169 286 A CA 2.062 54.152 52.037 0.089 0.000 0.635 286 A CB -0.933 18.114 19.000 0.078 0.000 0.810 286 A HN 0.707 nan 8.150 nan 0.000 0.445 287 T N -3.149 111.457 114.554 0.087 0.000 3.035 287 T HA -0.042 4.308 4.350 -0.000 0.000 0.259 287 T C 1.257 176.017 174.700 0.101 0.000 1.078 287 T CA 1.081 63.232 62.100 0.085 0.000 1.132 287 T CB -0.235 68.670 68.868 0.061 0.000 0.900 287 T HN 0.292 nan 8.240 nan 0.000 0.480 288 D N 1.375 121.850 120.400 0.126 0.000 2.097 288 D HA -0.030 4.610 4.640 -0.000 0.000 0.197 288 D C 1.950 178.418 176.300 0.280 0.000 0.984 288 D CA 1.111 55.237 54.000 0.209 0.000 0.826 288 D CB -0.431 40.475 40.800 0.177 0.000 0.973 288 D HN 0.402 nan 8.370 nan 0.000 0.460 289 M N 0.482 120.235 119.600 0.255 0.000 2.267 289 M HA -0.080 4.400 4.480 -0.000 0.000 0.263 289 M C 1.823 178.026 176.300 -0.162 0.000 1.063 289 M CA 1.856 57.191 55.300 0.058 0.000 1.090 289 M CB -0.012 32.626 32.600 0.062 0.000 1.392 289 M HN 0.005 nan 8.290 nan 0.000 0.422 290 G N -0.747 108.058 108.800 0.009 0.000 2.395 290 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.214 290 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.214 290 G C 1.364 176.274 174.900 0.015 0.000 1.177 290 G CA 1.076 46.216 45.100 0.067 0.000 0.794 290 G HN 0.587 nan 8.290 nan 0.000 0.532 291 T N -1.971 112.597 114.554 0.023 0.000 3.163 291 T HA 0.152 4.502 4.350 -0.000 0.000 0.260 291 T C 1.921 176.597 174.700 -0.040 0.000 1.156 291 T CA 0.897 63.008 62.100 0.018 0.000 1.072 291 T CB 0.100 69.001 68.868 0.056 0.000 0.937 291 T HN 0.183 nan 8.240 nan 0.000 0.528 292 M N -0.474 119.043 119.600 -0.139 0.000 2.691 292 M HA 0.158 4.638 4.480 -0.000 0.000 0.261 292 M C 1.975 178.083 176.300 -0.320 0.000 1.227 292 M CA 0.592 55.711 55.300 -0.301 0.000 1.197 292 M CB 0.073 32.270 32.600 -0.671 0.000 1.294 292 M HN 0.113 nan 8.290 nan 0.000 0.508 293 Q N 0.787 120.379 119.800 -0.347 0.000 2.020 293 Q HA -0.110 4.230 4.340 -0.000 0.000 0.198 293 Q C 1.737 177.668 176.000 -0.115 0.000 0.974 293 Q CA 1.246 56.862 55.803 -0.312 0.000 0.829 293 Q CB -0.503 27.876 28.738 -0.599 0.000 0.894 293 Q HN 0.510 nan 8.270 nan 0.000 0.433 294 E N 0.799 120.985 120.200 -0.024 0.000 2.253 294 E HA -0.215 4.135 4.350 -0.000 0.000 0.202 294 E C 1.920 178.512 176.600 -0.014 0.000 1.014 294 E CA 0.953 57.369 56.400 0.028 0.000 0.823 294 E CB -0.120 29.611 29.700 0.052 0.000 0.736 294 E HN 0.305 nan 8.360 nan 0.000 0.478 295 R N -0.007 120.461 120.500 -0.054 0.000 2.148 295 R HA 0.074 4.414 4.340 -0.000 0.000 0.223 295 R C 1.121 177.378 176.300 -0.072 0.000 1.088 295 R CA 0.379 56.444 56.100 -0.058 0.000 0.985 295 R CB 0.054 30.308 30.300 -0.076 0.000 0.880 295 R HN 0.101 nan 8.270 nan 0.000 0.451 296 I N 1.751 122.262 120.570 -0.098 0.000 2.227 296 I HA 0.062 4.232 4.170 -0.000 0.000 0.297 296 I C 0.060 176.129 176.117 -0.079 0.000 1.173 296 I CA 0.120 61.356 61.300 -0.107 0.000 1.356 296 I CB 0.531 38.440 38.000 -0.153 0.000 1.485 296 I HN -0.021 nan 8.210 nan 0.000 0.604 297 T N 2.392 116.911 114.554 -0.059 0.000 2.739 297 T HA 0.310 4.660 4.350 -0.000 0.000 0.303 297 T C -0.576 174.100 174.700 -0.041 0.000 1.389 297 T CA -0.328 61.745 62.100 -0.045 0.000 1.001 297 T CB 1.931 70.786 68.868 -0.023 0.000 1.436 297 T HN 0.211 nan 8.240 nan 0.000 0.500 298 T N 2.727 117.257 114.554 -0.039 0.000 2.806 298 T HA 0.609 4.959 4.350 -0.000 0.000 0.290 298 T C 0.379 175.056 174.700 -0.038 0.000 0.966 298 T CA -0.314 61.764 62.100 -0.037 0.000 1.060 298 T CB 0.834 69.680 68.868 -0.036 0.000 0.927 298 T HN 0.854 nan 8.240 nan 0.000 0.485 299 T N 0.403 114.935 114.554 -0.036 0.000 2.870 299 T HA 0.463 4.813 4.350 -0.000 0.000 0.277 299 T C 0.925 175.599 174.700 -0.044 0.000 1.000 299 T CA -1.001 61.073 62.100 -0.043 0.000 0.982 299 T CB 1.174 70.021 68.868 -0.035 0.000 1.249 299 T HN 0.398 nan 8.240 nan 0.000 0.589 300 K N -0.065 120.305 120.400 -0.050 0.000 2.525 300 K HA 0.111 4.431 4.320 -0.000 0.000 0.192 300 K C 1.733 178.310 176.600 -0.038 0.000 1.029 300 K CA 0.386 56.645 56.287 -0.047 0.000 1.029 300 K CB 0.043 32.511 32.500 -0.053 0.000 0.814 300 K HN 0.486 nan 8.250 nan 0.000 0.503 301 K N -0.005 120.373 120.400 -0.035 0.000 2.284 301 K HA 0.073 4.393 4.320 -0.000 0.000 0.198 301 K C 0.898 177.478 176.600 -0.033 0.000 1.048 301 K CA 0.418 56.684 56.287 -0.034 0.000 0.987 301 K CB 0.803 33.283 32.500 -0.033 0.000 0.800 301 K HN 0.152 nan 8.250 nan 0.000 0.486 302 G N 0.322 109.105 108.800 -0.029 0.000 2.495 302 G HA2 0.287 4.247 3.960 -0.000 0.000 0.294 302 G HA3 0.287 4.247 3.960 -0.000 0.000 0.294 302 G C -1.617 173.271 174.900 -0.020 0.000 1.397 302 G CA -0.664 44.423 45.100 -0.023 0.000 0.790 302 G HN 0.025 nan 8.290 nan 0.000 0.486 303 S N -0.990 114.703 115.700 -0.013 0.000 2.526 303 S HA 0.800 5.270 4.470 -0.000 0.000 0.293 303 S C -0.827 173.762 174.600 -0.019 0.000 1.092 303 S CA -0.731 57.459 58.200 -0.017 0.000 0.980 303 S CB 1.769 64.960 63.200 -0.015 0.000 1.048 303 S HN 0.668 nan 8.310 nan 0.000 0.483 304 I N 2.312 122.859 120.570 -0.040 0.000 2.389 304 I HA 0.300 4.470 4.170 -0.000 0.000 0.288 304 I C -0.377 175.677 176.117 -0.105 0.000 0.999 304 I CA -0.475 60.786 61.300 -0.065 0.000 1.129 304 I CB 2.217 40.176 38.000 -0.069 0.000 1.288 304 I HN 0.674 nan 8.210 nan 0.000 0.444 305 T N 4.533 118.997 114.554 -0.150 0.000 3.145 305 T HA 0.197 4.547 4.350 -0.000 0.000 0.348 305 T C 0.217 174.729 174.700 -0.314 0.000 1.299 305 T CA -0.531 61.456 62.100 -0.190 0.000 1.037 305 T CB 0.092 68.859 68.868 -0.169 0.000 1.122 305 T HN 0.664 nan 8.240 nan 0.000 0.600 306 S N 1.874 117.403 115.700 -0.285 0.000 2.554 306 S HA 0.641 5.111 4.470 -0.000 0.000 0.278 306 S C -0.157 174.225 174.600 -0.364 0.000 1.242 306 S CA -0.761 57.231 58.200 -0.348 0.000 1.051 306 S CB 1.355 64.406 63.200 -0.249 0.000 0.986 306 S HN 0.300 nan 8.310 nan 0.000 0.502 307 V N 3.503 123.175 119.914 -0.404 0.000 2.398 307 V HA 0.333 4.453 4.120 -0.000 0.000 0.282 307 V C -0.497 175.506 176.094 -0.152 0.000 1.014 307 V CA -0.516 61.630 62.300 -0.256 0.000 0.838 307 V CB 0.943 32.703 31.823 -0.106 0.000 1.018 307 V HN 0.950 nan 8.190 nan 0.000 0.432 308 Q N 2.736 122.428 119.800 -0.180 0.000 2.230 308 Q HA 0.787 5.127 4.340 -0.000 0.000 0.253 308 Q C -0.052 175.856 176.000 -0.154 0.000 0.919 308 Q CA -0.506 55.195 55.803 -0.171 0.000 0.908 308 Q CB 2.505 31.110 28.738 -0.222 0.000 1.245 308 Q HN 0.813 nan 8.270 nan 0.000 0.437 309 A N 3.337 126.096 122.820 -0.101 0.000 2.274 309 A HA 0.593 4.913 4.320 -0.000 0.000 0.309 309 A C -0.579 176.935 177.584 -0.116 0.000 1.226 309 A CA -0.516 51.480 52.037 -0.067 0.000 0.853 309 A CB 0.193 19.210 19.000 0.028 0.000 1.146 309 A HN 0.720 nan 8.150 nan 0.000 0.518 310 I N 2.868 123.307 120.570 -0.218 0.000 2.418 310 I HA 0.224 4.394 4.170 -0.000 0.000 0.287 310 I C -0.555 175.515 176.117 -0.078 0.000 1.008 310 I CA -0.664 60.492 61.300 -0.241 0.000 1.104 310 I CB 1.298 38.851 38.000 -0.745 0.000 1.264 310 I HN 0.742 nan 8.210 nan 0.000 0.438 311 Y N 7.229 127.457 120.300 -0.121 0.000 2.314 311 Y HA 0.452 5.002 4.550 -0.000 0.000 0.334 311 Y C -0.353 175.359 175.900 -0.314 0.000 1.266 311 Y CA -0.452 57.496 58.100 -0.254 0.000 1.391 311 Y CB 1.055 39.246 38.460 -0.448 0.000 1.306 311 Y HN 0.257 nan 8.280 nan 0.000 0.558 312 V N 7.078 126.324 119.914 -1.115 0.000 2.443 312 V HA 0.266 4.386 4.120 -0.000 0.000 0.272 312 V C -2.446 173.009 176.094 -1.064 0.000 1.002 312 V CA -1.994 59.842 62.300 -0.773 0.000 0.840 312 V CB 0.998 32.664 31.823 -0.262 0.000 1.042 312 V HN 0.727 nan 8.190 nan 0.000 0.446 313 P HA -0.025 nan 4.420 nan 0.000 0.259 313 P C 0.910 178.082 177.300 -0.212 0.000 1.163 313 P CA 1.326 64.137 63.100 -0.482 0.000 0.760 313 P CB 0.505 32.146 31.700 -0.097 0.000 0.762 314 A N 3.756 126.530 122.820 -0.077 0.000 2.767 314 A HA -0.305 4.014 4.320 -0.000 0.000 0.282 314 A C 1.230 178.786 177.584 -0.047 0.000 1.416 314 A CA 1.661 53.687 52.037 -0.018 0.000 0.932 314 A CB -2.430 16.575 19.000 0.008 0.000 0.979 314 A HN 0.608 nan 8.150 nan 0.000 0.616 315 D N -2.813 117.519 120.400 -0.113 0.000 2.876 315 D HA -0.163 4.477 4.640 -0.000 0.000 0.196 315 D C -0.275 175.987 176.300 -0.064 0.000 1.014 315 D CA 2.042 55.994 54.000 -0.080 0.000 1.012 315 D CB -1.306 39.476 40.800 -0.030 0.000 1.080 315 D HN 0.969 nan 8.370 nan 0.000 0.438 316 D N 0.333 120.692 120.400 -0.067 0.000 2.352 316 D HA 0.225 4.865 4.640 -0.000 0.000 0.245 316 D C 1.605 177.894 176.300 -0.019 0.000 1.224 316 D CA -0.133 53.848 54.000 -0.031 0.000 0.879 316 D CB 0.308 41.103 40.800 -0.009 0.000 1.057 316 D HN 0.181 nan 8.370 nan 0.000 0.491 317 L N 2.641 123.866 121.223 0.003 0.000 2.201 317 L HA -0.088 4.252 4.340 -0.000 0.000 0.212 317 L C 2.427 179.348 176.870 0.085 0.000 1.105 317 L CA 1.318 56.194 54.840 0.059 0.000 0.775 317 L CB -0.565 41.523 42.059 0.048 0.000 0.913 317 L HN 0.555 nan 8.230 nan 0.000 0.440 318 T N -3.868 110.707 114.554 0.035 0.000 3.113 318 T HA -0.132 4.218 4.350 -0.000 0.000 0.263 318 T C 0.839 175.578 174.700 0.065 0.000 1.143 318 T CA -0.118 62.005 62.100 0.038 0.000 1.090 318 T CB -0.489 68.386 68.868 0.012 0.000 0.922 318 T HN 0.231 nan 8.240 nan 0.000 0.521 319 D N 2.690 123.133 120.400 0.071 0.000 2.493 319 D HA 0.030 4.670 4.640 -0.000 0.000 0.240 319 D C -1.458 174.884 176.300 0.071 0.000 1.142 319 D CA -1.534 52.526 54.000 0.101 0.000 0.872 319 D CB 1.464 42.330 40.800 0.109 0.000 1.173 319 D HN 0.030 nan 8.370 nan 0.000 0.467 320 P HA -0.246 nan 4.420 nan 0.000 0.217 320 P C 0.992 178.190 177.300 -0.169 0.000 1.158 320 P CA 2.483 65.536 63.100 -0.079 0.000 0.887 320 P CB 0.074 31.702 31.700 -0.121 0.000 0.792 321 A N -0.151 122.454 122.820 -0.358 0.000 1.849 321 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 321 A C 0.115 177.733 177.584 0.057 0.000 1.202 321 A CA 2.883 54.818 52.037 -0.170 0.000 0.629 321 A CB -2.398 16.662 19.000 0.100 0.000 0.834 321 A HN 0.248 nan 8.150 nan 0.000 0.447 322 P HA -0.079 nan 4.420 nan 0.000 0.216 322 P C 1.576 179.013 177.300 0.229 0.000 1.153 322 P CA 1.901 65.106 63.100 0.174 0.000 0.844 322 P CB -0.253 31.558 31.700 0.185 0.000 0.787 323 A N -0.128 122.856 122.820 0.273 0.000 2.024 323 A HA -0.136 4.183 4.320 -0.000 0.000 0.220 323 A C 2.158 179.932 177.584 0.317 0.000 1.164 323 A CA 2.227 54.486 52.037 0.370 0.000 0.643 323 A CB -1.820 17.284 19.000 0.174 0.000 0.806 323 A HN 0.238 nan 8.150 nan 0.000 0.451 324 T N -1.189 113.485 114.554 0.201 0.000 3.067 324 T HA 0.002 4.352 4.350 -0.000 0.000 0.257 324 T C 1.705 176.564 174.700 0.265 0.000 1.105 324 T CA 1.410 63.620 62.100 0.183 0.000 1.104 324 T CB -0.031 68.905 68.868 0.113 0.000 0.925 324 T HN 0.499 nan 8.240 nan 0.000 0.498 325 T N 1.543 116.235 114.554 0.230 0.000 3.043 325 T HA 0.167 4.517 4.350 -0.000 0.000 0.263 325 T C 1.393 176.244 174.700 0.252 0.000 1.094 325 T CA 0.331 62.553 62.100 0.204 0.000 1.127 325 T CB -0.315 68.563 68.868 0.016 0.000 0.905 325 T HN 0.286 nan 8.240 nan 0.000 0.490 326 F N 2.341 122.490 119.950 0.332 0.000 2.011 326 F HA -0.140 4.387 4.527 -0.000 0.000 0.296 326 F C 2.771 178.651 175.800 0.134 0.000 1.144 326 F CA 1.291 59.446 58.000 0.258 0.000 1.185 326 F CB -0.868 38.164 39.000 0.053 0.000 0.961 326 F HN 0.107 nan 8.300 nan 0.000 0.485 327 A N -1.146 121.815 122.820 0.236 0.000 2.148 327 A HA -0.245 4.075 4.320 -0.000 0.000 0.222 327 A C 1.687 179.223 177.584 -0.080 0.000 1.161 327 A CA 1.786 53.840 52.037 0.028 0.000 0.662 327 A CB -1.134 17.819 19.000 -0.079 0.000 0.799 327 A HN 0.569 nan 8.150 nan 0.000 0.466 328 H N -1.244 117.878 119.070 0.086 0.000 2.547 328 H HA 0.271 4.827 4.556 -0.000 0.000 0.266 328 H C 0.071 175.407 175.328 0.015 0.000 0.988 328 H CA 0.373 56.438 56.048 0.028 0.000 1.147 328 H CB -0.020 29.735 29.762 -0.012 0.000 1.365 328 H HN 0.390 nan 8.280 nan 0.000 0.589 329 L N 0.275 121.581 121.223 0.139 0.000 2.334 329 L HA 0.229 4.569 4.340 -0.000 0.000 0.272 329 L C 0.786 177.704 176.870 0.080 0.000 1.020 329 L CA -0.545 54.351 54.840 0.094 0.000 0.812 329 L CB 1.752 43.893 42.059 0.135 0.000 1.264 329 L HN -0.104 nan 8.230 nan 0.000 0.439 330 D N 1.043 121.469 120.400 0.043 0.000 2.407 330 D HA 0.275 4.915 4.640 -0.000 0.000 0.208 330 D C 0.074 176.412 176.300 0.065 0.000 1.083 330 D CA 0.413 54.439 54.000 0.044 0.000 0.844 330 D CB 1.438 42.249 40.800 0.018 0.000 0.967 330 D HN 0.517 nan 8.370 nan 0.000 0.506 331 A N 0.921 123.783 122.820 0.070 0.000 2.491 331 A HA 0.502 4.822 4.320 -0.000 0.000 0.293 331 A C -0.494 177.181 177.584 0.152 0.000 1.047 331 A CA -0.670 51.438 52.037 0.119 0.000 0.735 331 A CB 1.327 20.404 19.000 0.127 0.000 1.281 331 A HN -0.041 nan 8.150 nan 0.000 0.398 332 T N -0.611 114.084 114.554 0.236 0.000 2.824 332 T HA 0.761 5.111 4.350 -0.000 0.000 0.282 332 T C -0.504 174.387 174.700 0.319 0.000 0.993 332 T CA -0.509 61.787 62.100 0.327 0.000 0.967 332 T CB 1.547 70.679 68.868 0.439 0.000 0.960 332 T HN 0.562 nan 8.240 nan 0.000 0.441 333 T N 3.199 117.966 114.554 0.355 0.000 2.864 333 T HA 0.506 4.856 4.350 -0.000 0.000 0.310 333 T C -0.123 174.764 174.700 0.313 0.000 1.040 333 T CA -0.563 61.721 62.100 0.307 0.000 0.977 333 T CB 0.870 69.944 68.868 0.344 0.000 0.976 333 T HN 0.680 nan 8.240 nan 0.000 0.459 334 V N 4.888 124.948 119.914 0.244 0.000 2.439 334 V HA 0.439 4.559 4.120 -0.000 0.000 0.282 334 V C -0.148 176.040 176.094 0.156 0.000 1.039 334 V CA -0.938 61.496 62.300 0.223 0.000 0.913 334 V CB 1.008 32.910 31.823 0.131 0.000 0.983 334 V HN 0.603 nan 8.190 nan 0.000 0.460 335 L N 3.585 124.902 121.223 0.157 0.000 2.360 335 L HA 0.647 4.987 4.340 -0.000 0.000 0.271 335 L C 0.356 177.264 176.870 0.065 0.000 1.057 335 L CA 0.411 55.315 54.840 0.106 0.000 0.803 335 L CB 1.690 43.822 42.059 0.121 0.000 1.207 335 L HN 0.749 nan 8.230 nan 0.000 0.445 336 S N 1.544 117.259 115.700 0.025 0.000 2.733 336 S HA 0.392 4.862 4.470 -0.000 0.000 0.294 336 S C 0.892 175.480 174.600 -0.020 0.000 1.149 336 S CA -0.707 57.493 58.200 0.001 0.000 1.034 336 S CB 0.792 63.985 63.200 -0.011 0.000 1.015 336 S HN 0.685 nan 8.310 nan 0.000 0.486 337 R N 3.699 124.195 120.500 -0.007 0.000 2.112 337 R HA -0.183 4.157 4.340 -0.000 0.000 0.242 337 R C 2.246 178.526 176.300 -0.033 0.000 1.137 337 R CA 2.333 58.427 56.100 -0.010 0.000 0.944 337 R CB -0.802 29.500 30.300 0.004 0.000 0.857 337 R HN 0.830 nan 8.270 nan 0.000 0.435 338 A N 1.004 123.805 122.820 -0.031 0.000 1.903 338 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 338 A C 2.216 179.767 177.584 -0.057 0.000 1.191 338 A CA 1.951 53.965 52.037 -0.038 0.000 0.638 338 A CB -0.687 18.290 19.000 -0.037 0.000 0.823 338 A HN 0.434 nan 8.150 nan 0.000 0.451 339 I N -0.814 119.714 120.570 -0.069 0.000 2.202 339 I HA -0.252 3.918 4.170 -0.000 0.000 0.242 339 I C 3.032 179.034 176.117 -0.191 0.000 1.091 339 I CA 1.076 62.317 61.300 -0.099 0.000 1.368 339 I CB -0.550 37.399 38.000 -0.085 0.000 1.058 339 I HN 0.407 nan 8.210 nan 0.000 0.410 340 A N 0.270 122.942 122.820 -0.246 0.000 1.908 340 A HA -0.293 4.027 4.320 -0.000 0.000 0.218 340 A C 2.226 179.658 177.584 -0.254 0.000 1.181 340 A CA 2.001 53.765 52.037 -0.455 0.000 0.627 340 A CB -0.721 18.129 19.000 -0.249 0.000 0.818 340 A HN 0.478 nan 8.150 nan 0.000 0.445 341 E N -0.472 119.662 120.200 -0.109 0.000 2.209 341 E HA -0.111 4.239 4.350 -0.000 0.000 0.196 341 E C 1.019 177.593 176.600 -0.042 0.000 0.993 341 E CA 0.665 57.040 56.400 -0.043 0.000 0.819 341 E CB -0.168 29.517 29.700 -0.025 0.000 0.745 341 E HN 0.639 nan 8.360 nan 0.000 0.477 342 L N 0.150 121.332 121.223 -0.068 0.000 2.672 342 L HA 0.177 4.517 4.340 -0.000 0.000 0.236 342 L C 0.916 177.758 176.870 -0.048 0.000 1.186 342 L CA 0.105 54.916 54.840 -0.049 0.000 0.977 342 L CB -0.140 41.898 42.059 -0.037 0.000 1.203 342 L HN 0.224 nan 8.230 nan 0.000 0.448 343 G N 1.326 110.098 108.800 -0.047 0.000 2.366 343 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.299 343 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.299 343 G C 0.059 175.018 174.900 0.098 0.000 1.020 343 G CA 0.025 45.157 45.100 0.054 0.000 1.026 343 G HN 0.271 nan 8.290 nan 0.000 0.512 344 I N 0.080 120.544 120.570 -0.177 0.000 2.382 344 I HA 0.500 4.670 4.170 -0.000 0.000 0.286 344 I C -0.365 175.510 176.117 -0.403 0.000 1.002 344 I CA -0.930 60.318 61.300 -0.087 0.000 1.135 344 I CB 1.294 39.274 38.000 -0.034 0.000 1.288 344 I HN 0.123 nan 8.210 nan 0.000 0.448 345 Y N 6.545 126.804 120.300 -0.068 0.000 2.477 345 Y HA 0.417 4.967 4.550 -0.000 0.000 0.347 345 Y C -2.164 173.548 175.900 -0.314 0.000 0.981 345 Y CA -2.269 55.715 58.100 -0.194 0.000 1.033 345 Y CB 2.299 40.594 38.460 -0.275 0.000 1.245 345 Y HN 0.380 nan 8.280 nan 0.000 0.455 346 P HA 0.038 nan 4.420 nan 0.000 0.269 346 P C -0.160 177.143 177.300 0.004 0.000 1.209 346 P CA -0.005 63.107 63.100 0.021 0.000 0.776 346 P CB 1.128 32.945 31.700 0.195 0.000 0.876 347 A N 3.461 126.267 122.820 -0.023 0.000 2.223 347 A HA 0.096 4.416 4.320 -0.000 0.000 0.222 347 A C 0.756 178.330 177.584 -0.017 0.000 1.317 347 A CA -0.113 51.849 52.037 -0.125 0.000 0.985 347 A CB -1.227 17.666 19.000 -0.178 0.000 0.858 347 A HN 0.410 nan 8.150 nan 0.000 0.496 348 V N 1.483 121.417 119.914 0.034 0.000 2.617 348 V HA -0.048 4.072 4.120 -0.000 0.000 0.304 348 V C 0.588 176.700 176.094 0.030 0.000 1.040 348 V CA 0.006 62.342 62.300 0.060 0.000 1.149 348 V CB 0.524 32.394 31.823 0.079 0.000 0.914 348 V HN 0.533 nan 8.190 nan 0.000 0.487 349 D N 7.015 127.436 120.400 0.035 0.000 2.343 349 D HA 0.185 4.825 4.640 -0.000 0.000 0.255 349 D C -1.713 174.592 176.300 0.009 0.000 1.187 349 D CA -1.750 52.258 54.000 0.014 0.000 0.875 349 D CB 2.091 42.897 40.800 0.011 0.000 1.136 349 D HN 0.256 nan 8.370 nan 0.000 0.469 350 P HA 0.075 nan 4.420 nan 0.000 0.227 350 P C 1.131 178.413 177.300 -0.029 0.000 1.161 350 P CA 0.537 63.624 63.100 -0.021 0.000 0.788 350 P CB 0.386 32.072 31.700 -0.022 0.000 0.822 351 L N -1.336 119.872 121.223 -0.026 0.000 2.607 351 L HA 0.173 4.513 4.340 -0.000 0.000 0.228 351 L C 1.166 178.010 176.870 -0.043 0.000 1.123 351 L CA 0.655 55.472 54.840 -0.037 0.000 0.890 351 L CB -0.079 41.957 42.059 -0.039 0.000 1.103 351 L HN -0.081 nan 8.230 nan 0.000 0.468 352 D N -1.248 119.134 120.400 -0.031 0.000 2.525 352 D HA 0.057 4.697 4.640 -0.000 0.000 0.231 352 D C 0.089 176.384 176.300 -0.009 0.000 1.216 352 D CA 0.164 54.139 54.000 -0.043 0.000 0.813 352 D CB 0.747 41.517 40.800 -0.050 0.000 1.108 352 D HN -0.139 nan 8.370 nan 0.000 0.524 353 S N 0.198 115.910 115.700 0.020 0.000 2.429 353 S HA 0.581 5.051 4.470 -0.000 0.000 0.302 353 S C -0.030 174.602 174.600 0.052 0.000 1.115 353 S CA -0.568 57.674 58.200 0.070 0.000 1.095 353 S CB 1.416 64.670 63.200 0.091 0.000 0.987 353 S HN 0.336 nan 8.310 nan 0.000 0.474 354 T N -0.136 114.465 114.554 0.078 0.000 2.907 354 T HA 0.824 5.174 4.350 -0.000 0.000 0.290 354 T C -0.501 174.260 174.700 0.102 0.000 1.066 354 T CA -0.848 61.289 62.100 0.062 0.000 1.012 354 T CB 1.890 70.776 68.868 0.031 0.000 1.184 354 T HN 0.383 nan 8.240 nan 0.000 0.522 355 S N -1.002 114.748 115.700 0.083 0.000 2.533 355 S HA 0.408 4.878 4.470 -0.000 0.000 0.271 355 S C 0.741 175.384 174.600 0.072 0.000 1.143 355 S CA -0.810 57.450 58.200 0.100 0.000 0.891 355 S CB 1.977 65.250 63.200 0.122 0.000 1.105 355 S HN 0.880 nan 8.310 nan 0.000 0.468 356 R N 2.238 122.779 120.500 0.069 0.000 2.096 356 R HA -0.029 4.311 4.340 -0.000 0.000 0.235 356 R C 1.706 178.030 176.300 0.041 0.000 1.127 356 R CA 2.203 58.333 56.100 0.049 0.000 0.968 356 R CB -0.432 29.894 30.300 0.044 0.000 0.861 356 R HN 0.821 nan 8.270 nan 0.000 0.440 357 I N -1.950 118.649 120.570 0.047 0.000 3.564 357 I HA 0.085 4.255 4.170 -0.000 0.000 0.294 357 I C 0.553 176.684 176.117 0.023 0.000 1.289 357 I CA -0.082 61.238 61.300 0.034 0.000 1.325 357 I CB 0.061 38.088 38.000 0.045 0.000 1.039 357 I HN -0.005 nan 8.210 nan 0.000 0.474 358 M N 3.347 122.971 119.600 0.041 0.000 3.593 358 M HA 0.164 4.644 4.480 -0.000 0.000 0.204 358 M C -0.431 175.955 176.300 0.142 0.000 1.569 358 M CA 0.591 55.929 55.300 0.064 0.000 1.694 358 M CB -1.692 30.947 32.600 0.064 0.000 1.149 358 M HN 0.341 nan 8.290 nan 0.000 0.552 359 D N 1.852 122.268 120.400 0.027 0.000 2.619 359 D HA 0.367 5.007 4.640 -0.000 0.000 0.241 359 D C -2.195 173.962 176.300 -0.238 0.000 1.087 359 D CA -1.470 52.447 54.000 -0.139 0.000 0.851 359 D CB 2.935 43.673 40.800 -0.103 0.000 1.474 359 D HN 0.087 nan 8.370 nan 0.000 0.478 360 P HA -0.079 nan 4.420 nan 0.000 0.220 360 P C 0.532 177.738 177.300 -0.155 0.000 1.148 360 P CA 0.688 63.569 63.100 -0.365 0.000 0.803 360 P CB 0.434 31.801 31.700 -0.556 0.000 0.782 361 N N -0.479 118.130 118.700 -0.152 0.000 2.362 361 N HA 0.136 4.876 4.740 -0.000 0.000 0.204 361 N C 1.300 176.784 175.510 -0.043 0.000 1.166 361 N CA 0.345 53.348 53.050 -0.079 0.000 0.831 361 N CB 0.268 38.709 38.487 -0.077 0.000 1.008 361 N HN 0.343 nan 8.380 nan 0.000 0.472 362 I N -0.908 119.641 120.570 -0.035 0.000 4.770 362 I HA -0.029 4.141 4.170 -0.000 0.000 0.327 362 I C 1.245 177.381 176.117 0.032 0.000 1.271 362 I CA 0.357 61.656 61.300 -0.002 0.000 1.320 362 I CB 0.702 38.699 38.000 -0.006 0.000 1.319 362 I HN -0.124 nan 8.210 nan 0.000 0.462 363 V N -1.717 118.217 119.914 0.033 0.000 3.477 363 V HA 0.687 4.807 4.120 -0.000 0.000 0.297 363 V C 0.758 176.943 176.094 0.152 0.000 1.433 363 V CA 0.162 62.535 62.300 0.122 0.000 1.052 363 V CB -0.266 31.563 31.823 0.011 0.000 0.895 363 V HN 0.412 nan 8.190 nan 0.000 0.438 364 G N 1.416 110.261 108.800 0.075 0.000 2.712 364 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.683 364 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.683 364 G C 0.523 175.475 174.900 0.088 0.000 1.320 364 G CA 0.413 45.559 45.100 0.076 0.000 0.847 364 G HN 1.357 nan 8.290 nan 0.000 0.553 365 S N -0.936 114.812 115.700 0.080 0.000 2.406 365 S HA 0.031 4.501 4.470 -0.000 0.000 0.224 365 S C 1.815 176.513 174.600 0.164 0.000 1.030 365 S CA 1.631 59.893 58.200 0.104 0.000 0.958 365 S CB -0.074 63.166 63.200 0.066 0.000 0.811 365 S HN 0.913 nan 8.310 nan 0.000 0.489 366 E N 1.059 121.346 120.200 0.144 0.000 2.058 366 E HA -0.298 4.052 4.350 -0.000 0.000 0.194 366 E C 2.076 178.801 176.600 0.208 0.000 0.997 366 E CA 1.419 57.909 56.400 0.149 0.000 0.801 366 E CB -0.439 29.331 29.700 0.117 0.000 0.746 366 E HN 0.863 nan 8.360 nan 0.000 0.450 367 H N -1.478 117.653 119.070 0.102 0.000 2.319 367 H HA -0.212 4.344 4.556 -0.000 0.000 0.299 367 H C 2.152 177.543 175.328 0.105 0.000 1.092 367 H CA 1.594 57.699 56.048 0.094 0.000 1.302 367 H CB -0.084 29.731 29.762 0.089 0.000 1.373 367 H HN 0.270 nan 8.280 nan 0.000 0.497 368 Y N 1.698 122.025 120.300 0.044 0.000 2.089 368 Y HA -0.223 4.327 4.550 -0.000 0.000 0.282 368 Y C 2.006 177.907 175.900 0.002 0.000 1.139 368 Y CA 2.084 60.150 58.100 -0.058 0.000 1.123 368 Y CB -0.501 37.924 38.460 -0.059 0.000 0.980 368 Y HN 0.296 nan 8.280 nan 0.000 0.493 369 D N -0.353 120.131 120.400 0.140 0.000 2.133 369 D HA -0.232 4.408 4.640 -0.000 0.000 0.192 369 D C 2.336 178.620 176.300 -0.027 0.000 1.001 369 D CA 2.129 56.154 54.000 0.042 0.000 0.844 369 D CB -0.598 40.271 40.800 0.115 0.000 0.944 369 D HN 0.288 nan 8.370 nan 0.000 0.447 370 V N 0.911 120.847 119.914 0.037 0.000 2.343 370 V HA -0.265 3.855 4.120 -0.000 0.000 0.247 370 V C 2.412 178.483 176.094 -0.039 0.000 1.051 370 V CA 1.814 64.141 62.300 0.044 0.000 1.036 370 V CB -0.933 30.960 31.823 0.117 0.000 0.654 370 V HN 0.249 nan 8.190 nan 0.000 0.451 371 A N 0.229 123.000 122.820 -0.083 0.000 1.851 371 A HA -0.229 4.091 4.320 -0.000 0.000 0.216 371 A C 2.326 179.782 177.584 -0.214 0.000 1.195 371 A CA 1.817 53.753 52.037 -0.169 0.000 0.622 371 A CB -0.517 18.366 19.000 -0.195 0.000 0.831 371 A HN 0.403 nan 8.150 nan 0.000 0.444 372 R N -0.486 119.829 120.500 -0.308 0.000 2.148 372 R HA -0.079 4.261 4.340 -0.000 0.000 0.227 372 R C 2.266 178.483 176.300 -0.139 0.000 1.103 372 R CA 1.133 57.073 56.100 -0.266 0.000 0.983 372 R CB -1.550 28.527 30.300 -0.372 0.000 0.874 372 R HN 0.563 nan 8.270 nan 0.000 0.451 373 G N 0.245 108.984 108.800 -0.101 0.000 2.408 373 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.217 373 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.217 373 G C 1.558 176.444 174.900 -0.024 0.000 1.150 373 G CA 0.572 45.651 45.100 -0.036 0.000 0.776 373 G HN 0.148 nan 8.290 nan 0.000 0.542 374 V N 0.725 120.608 119.914 -0.051 0.000 2.229 374 V HA -0.240 3.880 4.120 -0.000 0.000 0.243 374 V C 2.927 178.996 176.094 -0.042 0.000 1.042 374 V CA 2.252 64.524 62.300 -0.047 0.000 1.000 374 V CB -0.784 30.939 31.823 -0.167 0.000 0.637 374 V HN 0.433 nan 8.190 nan 0.000 0.446 375 Q N -0.016 119.738 119.800 -0.077 0.000 2.133 375 Q HA -0.329 4.011 4.340 -0.000 0.000 0.208 375 Q C 2.304 178.285 176.000 -0.032 0.000 0.991 375 Q CA 2.194 57.961 55.803 -0.060 0.000 0.867 375 Q CB -0.348 28.337 28.738 -0.088 0.000 0.911 375 Q HN 0.607 nan 8.270 nan 0.000 0.417 376 K N 1.061 121.441 120.400 -0.034 0.000 2.001 376 K HA -0.129 4.191 4.320 -0.000 0.000 0.208 376 K C 2.046 178.653 176.600 0.012 0.000 1.048 376 K CA 1.053 57.331 56.287 -0.014 0.000 0.932 376 K CB -0.215 32.274 32.500 -0.018 0.000 0.715 376 K HN 0.192 nan 8.250 nan 0.000 0.437 377 I N 1.166 121.747 120.570 0.019 0.000 2.423 377 I HA -0.259 3.911 4.170 -0.000 0.000 0.254 377 I C 1.719 177.885 176.117 0.082 0.000 1.151 377 I CA 1.067 62.391 61.300 0.039 0.000 1.421 377 I CB 0.127 38.144 38.000 0.029 0.000 1.079 377 I HN 0.292 nan 8.210 nan 0.000 0.431 378 L N -0.003 121.266 121.223 0.076 0.000 2.240 378 L HA -0.156 4.184 4.340 -0.000 0.000 0.211 378 L C 2.392 179.317 176.870 0.091 0.000 1.106 378 L CA 0.697 55.612 54.840 0.126 0.000 0.793 378 L CB -0.314 41.793 42.059 0.079 0.000 0.927 378 L HN 0.310 nan 8.230 nan 0.000 0.446 379 Q N -0.071 119.754 119.800 0.041 0.000 2.212 379 Q HA -0.142 4.198 4.340 -0.000 0.000 0.199 379 Q C 1.606 177.617 176.000 0.018 0.000 0.950 379 Q CA 1.275 57.082 55.803 0.007 0.000 0.863 379 Q CB 0.133 28.865 28.738 -0.009 0.000 0.944 379 Q HN 0.330 nan 8.270 nan 0.000 0.465 380 D N -0.688 119.743 120.400 0.051 0.000 2.149 380 D HA -0.146 4.494 4.640 -0.000 0.000 0.201 380 D C 1.395 177.758 176.300 0.106 0.000 0.972 380 D CA 0.870 54.905 54.000 0.057 0.000 0.835 380 D CB -0.230 40.603 40.800 0.056 0.000 0.966 380 D HN 0.329 nan 8.370 nan 0.000 0.476 381 Y N 2.175 122.466 120.300 -0.015 0.000 2.293 381 Y HA -0.095 4.455 4.550 0.000 0.000 0.291 381 Y C 1.905 177.795 175.900 -0.016 0.000 1.137 381 Y CA 1.152 59.243 58.100 -0.015 0.000 1.202 381 Y CB -0.102 38.350 38.460 -0.014 0.000 0.990 381 Y HN -0.191 nan 8.280 nan 0.000 0.537 382 K N -0.683 119.608 120.400 -0.181 0.000 2.148 382 K HA -0.106 4.214 4.320 -0.000 0.000 0.204 382 K C 2.322 178.830 176.600 -0.154 0.000 1.050 382 K CA 1.249 57.373 56.287 -0.271 0.000 0.942 382 K CB -0.153 32.247 32.500 -0.167 0.000 0.724 382 K HN 0.164 nan 8.250 nan 0.000 0.446 383 S N 1.023 116.682 115.700 -0.067 0.000 2.423 383 S HA 0.021 4.491 4.470 -0.000 0.000 0.231 383 S C 1.640 176.227 174.600 -0.021 0.000 1.014 383 S CA 0.749 58.928 58.200 -0.036 0.000 0.965 383 S CB 0.048 63.241 63.200 -0.011 0.000 0.785 383 S HN 0.217 nan 8.310 nan 0.000 0.495 384 L N 0.893 122.118 121.223 0.004 0.000 2.446 384 L HA 0.063 4.403 4.340 -0.000 0.000 0.219 384 L C 2.417 179.291 176.870 0.008 0.000 1.116 384 L CA 0.318 55.180 54.840 0.037 0.000 0.844 384 L CB -0.315 41.812 42.059 0.113 0.000 0.970 384 L HN 0.224 nan 8.230 nan 0.000 0.457 385 Q N 0.529 120.279 119.800 -0.084 0.000 2.096 385 Q HA -0.219 4.121 4.340 -0.000 0.000 0.204 385 Q C 1.518 177.482 176.000 -0.060 0.000 0.982 385 Q CA 1.725 57.455 55.803 -0.122 0.000 0.850 385 Q CB -0.202 28.384 28.738 -0.253 0.000 0.901 385 Q HN 0.551 nan 8.270 nan 0.000 0.422 386 D N 0.527 120.893 120.400 -0.057 0.000 2.077 386 D HA -0.078 4.562 4.640 -0.000 0.000 0.196 386 D C 2.096 178.385 176.300 -0.018 0.000 0.986 386 D CA 0.767 54.745 54.000 -0.037 0.000 0.829 386 D CB -0.456 40.322 40.800 -0.037 0.000 0.983 386 D HN 0.198 nan 8.370 nan 0.000 0.453 387 I N 1.407 121.971 120.570 -0.010 0.000 2.194 387 I HA -0.229 3.941 4.170 -0.000 0.000 0.246 387 I C 2.336 178.456 176.117 0.005 0.000 1.093 387 I CA 1.060 62.359 61.300 -0.001 0.000 1.355 387 I CB -0.468 37.536 38.000 0.005 0.000 1.046 387 I HN 0.099 nan 8.210 nan 0.000 0.413 388 I N -1.474 119.104 120.570 0.012 0.000 3.251 388 I HA 0.101 4.271 4.170 -0.000 0.000 0.277 388 I C 2.432 178.555 176.117 0.010 0.000 1.268 388 I CA 0.747 62.058 61.300 0.017 0.000 1.449 388 I CB -0.464 37.558 38.000 0.036 0.000 1.083 388 I HN -0.002 nan 8.210 nan 0.000 0.464 389 A N 1.525 124.345 122.820 -0.000 0.000 2.121 389 A HA 0.049 4.369 4.320 -0.000 0.000 0.218 389 A C 2.026 179.608 177.584 -0.004 0.000 1.154 389 A CA 1.491 53.525 52.037 -0.006 0.000 0.679 389 A CB -0.465 18.525 19.000 -0.016 0.000 0.795 389 A HN 0.543 nan 8.150 nan 0.000 0.458 390 I N -1.995 118.573 120.570 -0.002 0.000 4.244 390 I HA 0.133 4.303 4.170 -0.000 0.000 0.318 390 I C 1.823 177.941 176.117 0.001 0.000 1.282 390 I CA 0.339 61.638 61.300 -0.002 0.000 1.276 390 I CB 0.312 38.310 38.000 -0.004 0.000 1.183 390 I HN 0.165 nan 8.210 nan 0.000 0.431 391 L N -0.201 121.023 121.223 0.003 0.000 2.200 391 L HA 0.482 4.822 4.340 -0.000 0.000 0.200 391 L C 0.971 177.844 176.870 0.006 0.000 1.072 391 L CA 0.548 55.390 54.840 0.004 0.000 0.787 391 L CB -0.431 41.631 42.059 0.005 0.000 0.957 391 L HN 0.318 nan 8.230 nan 0.000 0.459 392 G N -0.875 107.930 108.800 0.008 0.000 2.497 392 G HA2 -0.154 3.805 3.960 -0.000 0.000 0.686 392 G HA3 -0.154 3.805 3.960 -0.000 0.000 0.686 392 G C -0.138 174.769 174.900 0.012 0.000 1.288 392 G CA -0.558 44.547 45.100 0.010 0.000 0.899 392 G HN -0.125 nan 8.290 nan 0.000 0.608 393 M N 0.088 119.695 119.600 0.012 0.000 2.748 393 M HA 0.087 4.567 4.480 -0.000 0.000 0.241 393 M C 0.795 177.099 176.300 0.007 0.000 1.080 393 M CA 1.008 56.315 55.300 0.012 0.000 1.068 393 M CB -0.877 31.728 32.600 0.009 0.000 1.536 393 M HN 0.464 nan 8.290 nan 0.000 0.540 394 D N 0.067 120.471 120.400 0.006 0.000 2.643 394 D HA 0.091 4.731 4.640 -0.000 0.000 0.244 394 D C 1.096 177.399 176.300 0.005 0.000 1.257 394 D CA 0.084 54.087 54.000 0.004 0.000 0.831 394 D CB 0.502 41.304 40.800 0.004 0.000 1.043 394 D HN 0.107 nan 8.370 nan 0.000 0.488 395 E N -0.377 119.826 120.200 0.006 0.000 2.500 395 E HA 0.159 4.509 4.350 -0.000 0.000 0.217 395 E C 0.444 177.048 176.600 0.007 0.000 0.848 395 E CA -0.012 56.392 56.400 0.006 0.000 1.217 395 E CB 0.943 30.646 29.700 0.006 0.000 1.217 395 E HN 0.276 nan 8.360 nan 0.000 0.573 396 L N 3.188 124.416 121.223 0.009 0.000 2.455 396 L HA 0.077 4.417 4.340 -0.000 0.000 0.272 396 L C 0.963 177.837 176.870 0.006 0.000 1.174 396 L CA -0.271 54.574 54.840 0.009 0.000 0.869 396 L CB 0.214 42.281 42.059 0.014 0.000 1.130 396 L HN -0.031 nan 8.230 nan 0.000 0.474 397 S N 1.700 117.403 115.700 0.005 0.000 2.560 397 S HA -0.027 4.443 4.470 -0.000 0.000 0.276 397 S C 0.985 175.586 174.600 0.002 0.000 1.350 397 S CA -0.606 57.596 58.200 0.003 0.000 1.024 397 S CB 0.680 63.882 63.200 0.004 0.000 0.864 397 S HN 0.609 nan 8.310 nan 0.000 0.536 398 E N 1.149 121.349 120.200 0.000 0.000 2.331 398 E HA -0.124 4.226 4.350 -0.000 0.000 0.199 398 E C 1.667 178.265 176.600 -0.003 0.000 1.008 398 E CA 0.870 57.270 56.400 -0.002 0.000 0.843 398 E CB -0.226 29.473 29.700 -0.001 0.000 0.761 398 E HN 0.702 nan 8.360 nan 0.000 0.507 399 E N 0.759 120.958 120.200 -0.001 0.000 2.051 399 E HA -0.099 4.251 4.350 -0.000 0.000 0.189 399 E C 1.556 178.155 176.600 -0.001 0.000 0.979 399 E CA 0.672 57.072 56.400 -0.001 0.000 0.803 399 E CB -0.144 29.558 29.700 0.002 0.000 0.761 399 E HN 0.247 nan 8.360 nan 0.000 0.451 400 D N 1.117 121.519 120.400 0.003 0.000 2.085 400 D HA -0.125 4.515 4.640 -0.000 0.000 0.199 400 D C 1.830 178.130 176.300 0.001 0.000 0.981 400 D CA 1.027 55.031 54.000 0.007 0.000 0.834 400 D CB -0.272 40.537 40.800 0.015 0.000 0.992 400 D HN 0.092 nan 8.370 nan 0.000 0.457 401 K N 0.320 120.719 120.400 -0.002 0.000 2.442 401 K HA -0.153 4.167 4.320 -0.000 0.000 0.200 401 K C 1.880 178.462 176.600 -0.030 0.000 1.045 401 K CA 0.487 56.767 56.287 -0.011 0.000 0.937 401 K CB -0.055 32.441 32.500 -0.007 0.000 0.757 401 K HN 0.012 nan 8.250 nan 0.000 0.474 402 L N 0.603 121.811 121.223 -0.025 0.000 2.095 402 L HA -0.080 4.260 4.340 -0.000 0.000 0.204 402 L C 2.203 179.043 176.870 -0.051 0.000 1.080 402 L CA 2.188 57.007 54.840 -0.034 0.000 0.759 402 L CB -0.741 41.306 42.059 -0.020 0.000 0.914 402 L HN 0.347 nan 8.230 nan 0.000 0.439 403 T N -3.965 110.564 114.554 -0.041 0.000 2.821 403 T HA -0.114 4.236 4.350 -0.000 0.000 0.267 403 T C 1.897 176.530 174.700 -0.112 0.000 1.046 403 T CA 1.301 63.371 62.100 -0.051 0.000 1.139 403 T CB -1.101 67.759 68.868 -0.013 0.000 0.871 403 T HN 0.116 nan 8.240 nan 0.000 0.454 404 V N 2.182 122.029 119.914 -0.111 0.000 2.332 404 V HA -0.190 3.930 4.120 -0.000 0.000 0.248 404 V C 3.009 178.910 176.094 -0.322 0.000 1.055 404 V CA 2.214 64.373 62.300 -0.235 0.000 1.038 404 V CB -0.989 30.776 31.823 -0.096 0.000 0.651 404 V HN 0.553 nan 8.190 nan 0.000 0.450 405 S N -0.738 114.848 115.700 -0.190 0.000 2.447 405 S HA -0.106 4.364 4.470 -0.000 0.000 0.233 405 S C 1.997 176.475 174.600 -0.205 0.000 1.006 405 S CA 1.081 59.175 58.200 -0.177 0.000 0.957 405 S CB -0.216 62.918 63.200 -0.110 0.000 0.773 405 S HN 0.578 nan 8.310 nan 0.000 0.507 406 R N 0.833 121.219 120.500 -0.190 0.000 2.156 406 R HA 0.260 4.600 4.340 -0.000 0.000 0.207 406 R C 2.590 178.773 176.300 -0.194 0.000 1.040 406 R CA 0.762 56.755 56.100 -0.179 0.000 1.013 406 R CB -0.361 29.877 30.300 -0.104 0.000 0.931 406 R HN 0.355 nan 8.270 nan 0.000 0.465 407 A N 1.911 124.581 122.820 -0.250 0.000 1.851 407 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 407 A C 2.062 179.481 177.584 -0.274 0.000 1.195 407 A CA 1.315 53.188 52.037 -0.274 0.000 0.622 407 A CB -0.456 18.199 19.000 -0.575 0.000 0.831 407 A HN 0.185 nan 8.150 nan 0.000 0.444 408 R N -0.225 120.028 120.500 -0.411 0.000 2.112 408 R HA -0.208 4.132 4.340 -0.000 0.000 0.242 408 R C 2.272 178.477 176.300 -0.158 0.000 1.137 408 R CA 2.030 57.982 56.100 -0.247 0.000 0.944 408 R CB -0.449 29.709 30.300 -0.237 0.000 0.857 408 R HN 0.565 nan 8.270 nan 0.000 0.435 409 K N 0.284 120.530 120.400 -0.255 0.000 2.057 409 K HA -0.078 4.242 4.320 -0.000 0.000 0.207 409 K C 2.150 178.608 176.600 -0.236 0.000 1.049 409 K CA 1.224 57.261 56.287 -0.416 0.000 0.931 409 K CB -0.124 31.893 32.500 -0.805 0.000 0.714 409 K HN 0.191 nan 8.250 nan 0.000 0.440 410 I N 1.068 121.589 120.570 -0.081 0.000 2.353 410 I HA -0.259 3.911 4.170 -0.000 0.000 0.248 410 I C 2.793 179.077 176.117 0.278 0.000 1.119 410 I CA 1.022 62.443 61.300 0.200 0.000 1.417 410 I CB -0.204 37.925 38.000 0.214 0.000 1.078 410 I HN 0.282 nan 8.210 nan 0.000 0.421 411 Q N 1.354 121.238 119.800 0.139 0.000 1.993 411 Q HA -0.230 4.110 4.340 -0.000 0.000 0.202 411 Q C 2.382 178.494 176.000 0.187 0.000 0.984 411 Q CA 1.746 57.637 55.803 0.147 0.000 0.837 411 Q CB 0.014 28.820 28.738 0.114 0.000 0.902 411 Q HN 0.374 nan 8.270 nan 0.000 0.423 412 R N -0.640 119.967 120.500 0.179 0.000 2.120 412 R HA -0.124 4.216 4.340 -0.000 0.000 0.234 412 R C 1.997 178.507 176.300 0.349 0.000 1.123 412 R CA 1.106 57.369 56.100 0.271 0.000 0.975 412 R CB -0.248 30.207 30.300 0.258 0.000 0.866 412 R HN 0.262 nan 8.270 nan 0.000 0.446 413 F N 0.811 120.846 119.950 0.142 0.000 2.604 413 F HA 0.056 4.583 4.527 0.000 0.000 0.298 413 F C 1.344 177.273 175.800 0.216 0.000 1.131 413 F CA 0.642 58.708 58.000 0.109 0.000 1.457 413 F CB 0.048 38.996 39.000 -0.086 0.000 1.095 413 F HN -0.075 nan 8.300 nan 0.000 0.574 414 L N -0.482 120.914 121.223 0.290 0.000 2.313 414 L HA -0.005 4.335 4.340 -0.000 0.000 0.214 414 L C 1.466 178.381 176.870 0.075 0.000 1.119 414 L CA 0.384 55.338 54.840 0.189 0.000 0.809 414 L CB -0.748 41.401 42.059 0.151 0.000 0.933 414 L HN 0.081 nan 8.230 nan 0.000 0.449 415 S N -0.095 115.649 115.700 0.073 0.000 2.593 415 S HA 0.310 4.780 4.470 -0.000 0.000 0.269 415 S C -0.307 174.257 174.600 -0.059 0.000 1.334 415 S CA -0.463 57.732 58.200 -0.008 0.000 1.015 415 S CB 1.744 64.927 63.200 -0.028 0.000 0.912 415 S HN 0.289 nan 8.310 nan 0.000 0.541 416 Q N 0.902 120.640 119.800 -0.102 0.000 2.378 416 Q HA 0.348 4.688 4.340 -0.000 0.000 0.262 416 Q C -3.103 172.849 176.000 -0.080 0.000 0.978 416 Q CA -1.790 53.988 55.803 -0.042 0.000 0.918 416 Q CB 2.246 31.054 28.738 0.116 0.000 1.415 416 Q HN 0.577 nan 8.270 nan 0.000 0.409 417 P HA 0.110 nan 4.420 nan 0.000 0.271 417 P C -0.988 176.503 177.300 0.318 0.000 1.216 417 P CA 0.341 63.451 63.100 0.016 0.000 0.771 417 P CB 0.341 32.042 31.700 0.001 0.000 0.864 418 F N 1.161 121.131 119.950 0.034 0.000 2.450 418 F HA 0.217 4.744 4.527 -0.000 0.000 0.332 418 F C 2.222 178.049 175.800 0.045 0.000 1.093 418 F CA -0.808 57.218 58.000 0.042 0.000 1.003 418 F CB 2.154 41.189 39.000 0.058 0.000 1.151 418 F HN 0.381 nan 8.300 nan 0.000 0.474 419 Q N 1.689 121.599 119.800 0.184 0.000 2.135 419 Q HA -0.129 4.211 4.340 -0.000 0.000 0.204 419 Q C 1.364 177.424 176.000 0.101 0.000 0.981 419 Q CA 1.766 57.627 55.803 0.098 0.000 0.856 419 Q CB 0.019 28.777 28.738 0.034 0.000 0.902 419 Q HN 0.630 nan 8.270 nan 0.000 0.425 420 V N 0.582 120.574 119.914 0.130 0.000 2.970 420 V HA -0.054 4.066 4.120 -0.000 0.000 0.260 420 V C 1.637 177.850 176.094 0.199 0.000 1.100 420 V CA 1.317 63.694 62.300 0.128 0.000 1.122 420 V CB -0.308 31.588 31.823 0.122 0.000 0.721 420 V HN 0.461 nan 8.190 nan 0.000 0.483 421 A N -0.908 122.085 122.820 0.287 0.000 2.610 421 A HA 0.257 4.577 4.320 -0.000 0.000 0.286 421 A C 1.675 179.383 177.584 0.206 0.000 1.306 421 A CA -0.163 52.097 52.037 0.372 0.000 0.942 421 A CB -0.210 18.993 19.000 0.339 0.000 1.112 421 A HN 0.484 nan 8.150 nan 0.000 0.527 422 E N -0.075 120.177 120.200 0.087 0.000 2.017 422 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 422 E C 2.063 178.643 176.600 -0.035 0.000 0.997 422 E CA 2.016 58.440 56.400 0.041 0.000 0.804 422 E CB -0.300 29.407 29.700 0.012 0.000 0.757 422 E HN 0.604 nan 8.360 nan 0.000 0.448 423 V N -0.754 119.055 119.914 -0.174 0.000 2.613 423 V HA -0.294 3.826 4.120 -0.000 0.000 0.259 423 V C 1.752 177.659 176.094 -0.311 0.000 1.099 423 V CA 1.677 63.797 62.300 -0.300 0.000 1.115 423 V CB -1.045 30.492 31.823 -0.476 0.000 0.686 423 V HN 0.155 nan 8.190 nan 0.000 0.481 424 F N 1.827 121.768 119.950 -0.015 0.000 2.202 424 F HA 0.025 4.552 4.527 -0.000 0.000 0.279 424 F C 2.998 178.793 175.800 -0.010 0.000 1.077 424 F CA 1.381 59.360 58.000 -0.036 0.000 1.193 424 F CB -1.114 37.828 39.000 -0.096 0.000 1.090 424 F HN 0.175 nan 8.300 nan 0.000 0.516 425 T N -2.151 112.542 114.554 0.231 0.000 2.746 425 T HA 0.099 4.449 4.350 -0.000 0.000 0.267 425 T C 1.893 176.724 174.700 0.218 0.000 1.039 425 T CA 1.225 63.464 62.100 0.233 0.000 1.142 425 T CB -0.817 68.192 68.868 0.235 0.000 0.866 425 T HN 0.624 nan 8.240 nan 0.000 0.444 426 G N 0.831 109.693 108.800 0.103 0.000 2.175 426 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.244 426 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.244 426 G C -0.018 174.795 174.900 -0.146 0.000 0.982 426 G CA 0.211 45.282 45.100 -0.048 0.000 0.641 426 G HN 0.813 nan 8.290 nan 0.000 0.527 427 H N -1.191 117.891 119.070 0.021 0.000 2.523 427 H HA 0.707 5.263 4.556 -0.000 0.000 0.345 427 H C 0.138 175.477 175.328 0.018 0.000 1.261 427 H CA -0.727 55.331 56.048 0.016 0.000 1.343 427 H CB 1.208 30.975 29.762 0.009 0.000 1.650 427 H HN 0.214 nan 8.280 nan 0.000 0.591 428 L N 1.491 122.809 121.223 0.158 0.000 2.283 428 L HA 0.343 4.683 4.340 -0.000 0.000 0.287 428 L C 0.639 177.566 176.870 0.095 0.000 1.073 428 L CA -0.069 54.826 54.840 0.092 0.000 0.822 428 L CB -0.021 42.075 42.059 0.061 0.000 1.186 428 L HN 0.780 nan 8.230 nan 0.000 0.436 429 G N 4.643 113.501 108.800 0.096 0.000 2.265 429 G HA2 0.125 4.085 3.960 -0.000 0.000 0.240 429 G HA3 0.125 4.085 3.960 -0.000 0.000 0.240 429 G C -0.172 174.777 174.900 0.080 0.000 1.270 429 G CA -0.396 44.772 45.100 0.113 0.000 0.901 429 G HN 0.533 nan 8.290 nan 0.000 0.507 430 K N 0.701 121.152 120.400 0.086 0.000 2.238 430 K HA 0.591 4.911 4.320 -0.000 0.000 0.239 430 K C -0.891 175.737 176.600 0.047 0.000 0.987 430 K CA -1.053 55.267 56.287 0.055 0.000 0.857 430 K CB 2.472 34.998 32.500 0.044 0.000 1.154 430 K HN 0.334 nan 8.250 nan 0.000 0.439 431 L N 1.083 122.320 121.223 0.023 0.000 2.404 431 L HA 0.319 4.659 4.340 -0.000 0.000 0.272 431 L C -1.413 175.459 176.870 0.004 0.000 0.980 431 L CA -0.666 54.177 54.840 0.004 0.000 0.836 431 L CB 1.785 43.840 42.059 -0.007 0.000 1.238 431 L HN 0.259 nan 8.230 nan 0.000 0.408 432 V N 6.040 125.953 119.914 -0.002 0.000 2.439 432 V HA 0.533 4.653 4.120 -0.000 0.000 0.282 432 V C -2.075 174.016 176.094 -0.006 0.000 1.039 432 V CA -1.596 60.703 62.300 -0.001 0.000 0.913 432 V CB 1.132 32.948 31.823 -0.011 0.000 0.983 432 V HN 0.651 nan 8.190 nan 0.000 0.460 433 P HA 0.189 nan 4.420 nan 0.000 0.274 433 P C 0.634 177.928 177.300 -0.009 0.000 1.231 433 P CA -0.477 62.622 63.100 -0.002 0.000 0.790 433 P CB 0.862 32.566 31.700 0.006 0.000 0.951 434 L N 4.282 125.491 121.223 -0.023 0.000 1.951 434 L HA -0.258 4.082 4.340 -0.000 0.000 0.222 434 L C 1.897 178.737 176.870 -0.051 0.000 1.078 434 L CA 2.129 56.935 54.840 -0.056 0.000 0.778 434 L CB -1.210 40.804 42.059 -0.074 0.000 0.893 434 L HN 0.285 nan 8.230 nan 0.000 0.436 435 K N -0.636 119.743 120.400 -0.035 0.000 2.107 435 K HA -0.232 4.088 4.320 -0.000 0.000 0.211 435 K C 1.923 178.539 176.600 0.025 0.000 1.049 435 K CA 1.823 58.104 56.287 -0.011 0.000 0.927 435 K CB -0.349 32.154 32.500 0.005 0.000 0.714 435 K HN 0.447 nan 8.250 nan 0.000 0.452 436 E N 0.090 120.309 120.200 0.033 0.000 2.268 436 E HA -0.092 4.258 4.350 -0.000 0.000 0.195 436 E C 1.865 178.522 176.600 0.095 0.000 0.995 436 E CA 1.019 57.455 56.400 0.061 0.000 0.836 436 E CB -0.036 29.693 29.700 0.049 0.000 0.763 436 E HN 0.353 nan 8.360 nan 0.000 0.491 437 T N 1.180 115.780 114.554 0.077 0.000 2.809 437 T HA 0.021 4.371 4.350 -0.000 0.000 0.260 437 T C 2.143 177.004 174.700 0.268 0.000 1.039 437 T CA 0.512 62.694 62.100 0.138 0.000 1.141 437 T CB -0.044 68.872 68.868 0.080 0.000 0.869 437 T HN 0.093 nan 8.240 nan 0.000 0.437 438 I N 1.031 121.688 120.570 0.146 0.000 2.113 438 I HA -0.192 3.978 4.170 -0.000 0.000 0.238 438 I C 2.672 178.918 176.117 0.215 0.000 1.070 438 I CA 1.369 62.769 61.300 0.167 0.000 1.332 438 I CB -0.411 37.617 38.000 0.045 0.000 1.044 438 I HN 0.186 nan 8.210 nan 0.000 0.402 439 K N 1.167 121.659 120.400 0.154 0.000 2.015 439 K HA -0.247 4.073 4.320 -0.000 0.000 0.216 439 K C 2.132 178.855 176.600 0.204 0.000 1.052 439 K CA 2.180 58.558 56.287 0.152 0.000 0.937 439 K CB -0.692 31.879 32.500 0.117 0.000 0.719 439 K HN 0.425 nan 8.250 nan 0.000 0.446 440 G N 0.310 109.244 108.800 0.224 0.000 2.574 440 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.220 440 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.220 440 G C 1.304 176.334 174.900 0.217 0.000 1.173 440 G CA 1.462 46.723 45.100 0.268 0.000 0.772 440 G HN 0.361 nan 8.290 nan 0.000 0.585 441 F N 0.271 120.423 119.950 0.335 0.000 2.512 441 F HA 0.148 4.675 4.527 0.000 0.000 0.296 441 F C 2.771 178.674 175.800 0.171 0.000 1.110 441 F CA 1.026 59.183 58.000 0.262 0.000 1.446 441 F CB -0.109 39.000 39.000 0.181 0.000 1.092 441 F HN 0.201 nan 8.300 nan 0.000 0.554 442 Q N 0.601 120.585 119.800 0.307 0.000 2.050 442 Q HA -0.245 4.095 4.340 -0.000 0.000 0.202 442 Q C 2.047 178.146 176.000 0.165 0.000 0.980 442 Q CA 1.947 57.870 55.803 0.201 0.000 0.840 442 Q CB -0.103 28.731 28.738 0.160 0.000 0.898 442 Q HN 0.454 nan 8.270 nan 0.000 0.424 443 Q N -0.013 119.897 119.800 0.183 0.000 2.046 443 Q HA -0.123 4.217 4.340 -0.000 0.000 0.200 443 Q C 2.182 178.288 176.000 0.176 0.000 0.975 443 Q CA 1.577 57.477 55.803 0.162 0.000 0.836 443 Q CB -0.079 28.808 28.738 0.248 0.000 0.896 443 Q HN 0.488 nan 8.270 nan 0.000 0.428 444 I N 0.619 121.327 120.570 0.229 0.000 2.286 444 I HA -0.281 3.889 4.170 -0.000 0.000 0.248 444 I C 2.067 178.237 176.117 0.088 0.000 1.115 444 I CA 1.084 62.478 61.300 0.157 0.000 1.392 444 I CB -0.248 37.766 38.000 0.023 0.000 1.065 444 I HN 0.217 nan 8.210 nan 0.000 0.418 445 L N 0.500 121.794 121.223 0.118 0.000 2.201 445 L HA -0.116 4.224 4.340 -0.000 0.000 0.212 445 L C 2.762 179.666 176.870 0.055 0.000 1.105 445 L CA 0.843 55.735 54.840 0.086 0.000 0.775 445 L CB -0.548 41.576 42.059 0.109 0.000 0.913 445 L HN 0.218 nan 8.230 nan 0.000 0.440 446 A N -0.452 122.403 122.820 0.058 0.000 2.015 446 A HA 0.081 4.401 4.320 -0.000 0.000 0.219 446 A C 1.965 179.554 177.584 0.009 0.000 1.163 446 A CA 1.422 53.477 52.037 0.030 0.000 0.646 446 A CB -0.438 18.575 19.000 0.021 0.000 0.806 446 A HN 0.523 nan 8.150 nan 0.000 0.448 447 G N -1.546 107.259 108.800 0.009 0.000 2.201 447 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.212 447 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.212 447 G C 0.679 175.572 174.900 -0.011 0.000 0.994 447 G CA 0.728 45.828 45.100 0.000 0.000 0.644 447 G HN 0.467 nan 8.290 nan 0.000 0.508 448 E N -0.377 119.782 120.200 -0.068 0.000 2.068 448 E HA -0.181 4.169 4.350 -0.000 0.000 0.207 448 E C 0.912 177.417 176.600 -0.157 0.000 1.032 448 E CA 1.800 58.082 56.400 -0.197 0.000 0.839 448 E CB -0.196 29.241 29.700 -0.439 0.000 0.758 448 E HN 0.700 nan 8.360 nan 0.000 0.457 449 Y N 0.857 121.188 120.300 0.051 0.000 2.873 449 Y HA 0.039 4.589 4.550 -0.000 0.000 0.375 449 Y C 0.475 176.302 175.900 -0.120 0.000 1.070 449 Y CA -0.491 57.577 58.100 -0.053 0.000 1.644 449 Y CB 0.122 38.650 38.460 0.113 0.000 1.495 449 Y HN -0.011 nan 8.280 nan 0.000 0.494 450 D N -1.095 119.345 120.400 0.066 0.000 2.355 450 D HA -0.113 4.527 4.640 -0.000 0.000 0.218 450 D C 1.859 178.187 176.300 0.047 0.000 1.004 450 D CA 0.812 54.829 54.000 0.028 0.000 0.880 450 D CB -0.148 40.672 40.800 0.034 0.000 0.911 450 D HN 0.641 nan 8.370 nan 0.000 0.528 451 H N -0.817 118.294 119.070 0.069 0.000 2.563 451 H HA 0.184 4.740 4.556 0.000 0.000 0.264 451 H C 0.564 175.940 175.328 0.081 0.000 0.957 451 H CA -0.133 55.948 56.048 0.054 0.000 1.173 451 H CB 0.310 30.094 29.762 0.037 0.000 1.420 451 H HN 0.058 nan 8.280 nan 0.000 0.551 452 L N 2.552 123.584 121.223 -0.318 0.000 2.334 452 L HA 0.364 4.704 4.340 -0.000 0.000 0.277 452 L C -2.274 174.619 176.870 0.039 0.000 1.075 452 L CA -2.027 52.742 54.840 -0.118 0.000 0.804 452 L CB 1.474 43.478 42.059 -0.091 0.000 1.174 452 L HN -0.021 nan 8.230 nan 0.000 0.438 453 P HA 0.134 nan 4.420 nan 0.000 0.275 453 P C 0.090 177.466 177.300 0.127 0.000 1.228 453 P CA -0.361 62.764 63.100 0.042 0.000 0.786 453 P CB 0.837 32.541 31.700 0.007 0.000 0.927 454 E N 1.111 121.347 120.200 0.060 0.000 2.048 454 E HA -0.303 4.047 4.350 -0.000 0.000 0.202 454 E C 1.804 178.522 176.600 0.196 0.000 1.021 454 E CA 1.377 57.819 56.400 0.070 0.000 0.825 454 E CB -0.280 29.404 29.700 -0.025 0.000 0.756 454 E HN 0.480 nan 8.360 nan 0.000 0.454 455 Q N -0.278 119.584 119.800 0.104 0.000 2.290 455 Q HA -0.243 4.097 4.340 -0.000 0.000 0.211 455 Q C 2.134 178.217 176.000 0.139 0.000 0.991 455 Q CA 1.490 57.359 55.803 0.111 0.000 0.893 455 Q CB -0.464 28.303 28.738 0.048 0.000 0.913 455 Q HN 0.357 nan 8.270 nan 0.000 0.428 456 A N -0.417 122.459 122.820 0.094 0.000 2.019 456 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 456 A C 1.498 178.932 177.584 -0.251 0.000 1.164 456 A CA 1.129 53.099 52.037 -0.111 0.000 0.644 456 A CB -0.531 18.310 19.000 -0.265 0.000 0.805 456 A HN 0.303 nan 8.150 nan 0.000 0.449 457 F N -2.740 117.148 119.950 -0.104 0.000 2.754 457 F HA 0.202 4.729 4.527 -0.000 0.000 0.297 457 F C 0.721 176.575 175.800 0.090 0.000 1.122 457 F CA -0.713 57.219 58.000 -0.114 0.000 1.400 457 F CB -0.464 38.408 39.000 -0.213 0.000 1.117 457 F HN 0.271 nan 8.300 nan 0.000 0.587 458 Y N 2.448 122.834 120.300 0.143 0.000 2.537 458 Y HA 0.292 4.842 4.550 -0.000 0.000 0.339 458 Y C 0.445 176.359 175.900 0.022 0.000 1.066 458 Y CA -1.261 56.892 58.100 0.089 0.000 1.357 458 Y CB 0.004 38.495 38.460 0.052 0.000 1.175 458 Y HN 0.045 nan 8.280 nan 0.000 0.525 459 M N 6.209 125.461 119.600 -0.580 0.000 3.655 459 M HA -0.153 4.327 4.480 -0.000 0.000 0.163 459 M C -1.220 174.930 176.300 -0.250 0.000 1.450 459 M CA 1.100 56.072 55.300 -0.547 0.000 0.973 459 M CB -2.440 29.627 32.600 -0.889 0.000 1.310 459 M HN 0.579 nan 8.290 nan 0.000 0.488 460 V N -1.159 118.700 119.914 -0.091 0.000 3.130 460 V HA 1.104 5.224 4.120 -0.000 0.000 0.308 460 V C 0.347 176.460 176.094 0.031 0.000 1.413 460 V CA -0.119 62.169 62.300 -0.020 0.000 1.053 460 V CB 1.640 33.466 31.823 0.004 0.000 1.075 460 V HN 0.642 nan 8.190 nan 0.000 0.465 461 G N -0.377 108.449 108.800 0.044 0.000 3.434 461 G HA2 0.602 4.562 3.960 -0.000 0.000 0.192 461 G HA3 0.602 4.562 3.960 -0.000 0.000 0.192 461 G C -2.425 172.532 174.900 0.096 0.000 1.704 461 G CA -0.632 44.496 45.100 0.046 0.000 0.936 461 G HN 0.825 nan 8.290 nan 0.000 0.623 462 P HA 0.052 nan 4.420 nan 0.000 0.271 462 P C 0.723 178.109 177.300 0.142 0.000 1.233 462 P CA -0.397 62.771 63.100 0.113 0.000 0.789 462 P CB 1.146 32.879 31.700 0.055 0.000 0.951 463 I N 0.806 121.479 120.570 0.172 0.000 2.502 463 I HA -0.271 3.899 4.170 -0.000 0.000 0.258 463 I C 1.784 177.716 176.117 -0.308 0.000 1.172 463 I CA 1.739 62.945 61.300 -0.158 0.000 1.430 463 I CB -0.757 37.149 38.000 -0.157 0.000 1.086 463 I HN 0.250 nan 8.210 nan 0.000 0.440 464 E N 0.706 120.826 120.200 -0.135 0.000 2.017 464 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 464 E C 2.094 178.586 176.600 -0.181 0.000 0.997 464 E CA 1.734 58.056 56.400 -0.130 0.000 0.804 464 E CB -0.457 29.215 29.700 -0.047 0.000 0.757 464 E HN 0.534 nan 8.360 nan 0.000 0.448 465 E N 0.394 120.515 120.200 -0.132 0.000 2.208 465 E HA -0.317 4.033 4.350 -0.000 0.000 0.202 465 E C 1.916 178.377 176.600 -0.231 0.000 1.014 465 E CA 1.009 57.331 56.400 -0.129 0.000 0.819 465 E CB -0.264 29.392 29.700 -0.075 0.000 0.735 465 E HN 0.290 nan 8.360 nan 0.000 0.469 466 A N 0.843 123.427 122.820 -0.393 0.000 1.841 466 A HA -0.205 4.115 4.320 -0.000 0.000 0.216 466 A C 2.541 179.772 177.584 -0.588 0.000 1.199 466 A CA 1.752 53.375 52.037 -0.689 0.000 0.621 466 A CB -0.919 17.300 19.000 -1.302 0.000 0.835 466 A HN 0.144 nan 8.150 nan 0.000 0.445 467 V N -0.036 119.568 119.914 -0.517 0.000 2.287 467 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 467 V C 3.062 179.055 176.094 -0.168 0.000 1.053 467 V CA 2.133 64.259 62.300 -0.290 0.000 1.027 467 V CB -1.452 30.296 31.823 -0.124 0.000 0.646 467 V HN 0.668 nan 8.190 nan 0.000 0.447 468 A N 0.003 122.735 122.820 -0.146 0.000 1.851 468 A HA -0.320 4.000 4.320 -0.000 0.000 0.216 468 A C 2.353 179.887 177.584 -0.084 0.000 1.195 468 A CA 2.479 54.464 52.037 -0.086 0.000 0.622 468 A CB -0.622 18.336 19.000 -0.071 0.000 0.831 468 A HN 0.538 nan 8.150 nan 0.000 0.444 469 K N -0.389 119.943 120.400 -0.114 0.000 2.063 469 K HA -0.150 4.170 4.320 -0.000 0.000 0.208 469 K C 2.130 178.680 176.600 -0.083 0.000 1.048 469 K CA 1.460 57.695 56.287 -0.086 0.000 0.928 469 K CB -0.394 32.044 32.500 -0.103 0.000 0.713 469 K HN 0.371 nan 8.250 nan 0.000 0.442 470 A N 1.503 124.239 122.820 -0.140 0.000 1.948 470 A HA -0.228 4.092 4.320 -0.000 0.000 0.220 470 A C 1.680 179.238 177.584 -0.044 0.000 1.177 470 A CA 2.144 54.117 52.037 -0.107 0.000 0.636 470 A CB -0.585 18.316 19.000 -0.166 0.000 0.815 470 A HN 0.440 nan 8.150 nan 0.000 0.449 471 D N -0.307 120.070 120.400 -0.038 0.000 2.084 471 D HA -0.095 4.545 4.640 -0.000 0.000 0.196 471 D C 1.870 178.171 176.300 0.002 0.000 0.985 471 D CA 1.304 55.301 54.000 -0.006 0.000 0.826 471 D CB -0.382 40.414 40.800 -0.005 0.000 0.978 471 D HN 0.442 nan 8.370 nan 0.000 0.456 472 K N 0.291 120.688 120.400 -0.005 0.000 2.218 472 K HA -0.111 4.209 4.320 -0.000 0.000 0.205 472 K C 2.170 178.782 176.600 0.019 0.000 1.046 472 K CA 0.560 56.852 56.287 0.007 0.000 0.933 472 K CB -0.080 32.423 32.500 0.005 0.000 0.728 472 K HN 0.194 nan 8.250 nan 0.000 0.454 473 L N -0.258 120.972 121.223 0.012 0.000 2.131 473 L HA -0.077 4.263 4.340 -0.000 0.000 0.206 473 L C 2.532 179.427 176.870 0.042 0.000 1.087 473 L CA 0.713 55.567 54.840 0.023 0.000 0.767 473 L CB -0.446 41.615 42.059 0.004 0.000 0.917 473 L HN 0.147 nan 8.230 nan 0.000 0.441 474 A N 0.382 123.224 122.820 0.036 0.000 1.855 474 A HA -0.206 4.114 4.320 -0.000 0.000 0.215 474 A C 2.139 179.773 177.584 0.082 0.000 1.191 474 A CA 1.558 53.630 52.037 0.058 0.000 0.613 474 A CB -0.475 18.553 19.000 0.046 0.000 0.829 474 A HN 0.413 nan 8.150 nan 0.000 0.442 475 E N -0.158 120.075 120.200 0.055 0.000 2.085 475 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 475 E C 1.958 178.589 176.600 0.052 0.000 0.994 475 E CA 1.442 57.869 56.400 0.046 0.000 0.801 475 E CB -0.227 29.490 29.700 0.029 0.000 0.743 475 E HN 0.722 nan 8.360 nan 0.000 0.453 476 E N 0.016 120.253 120.200 0.061 0.000 2.150 476 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 476 E C 0.965 177.615 176.600 0.084 0.000 0.985 476 E CA 0.392 56.828 56.400 0.060 0.000 0.814 476 E CB -0.075 29.660 29.700 0.059 0.000 0.752 476 E HN 0.238 nan 8.360 nan 0.000 0.466 477 H N 0.000 119.077 119.070 0.012 0.000 2.539 477 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 477 H CA 0.000 56.055 56.048 0.012 0.000 1.023 477 H CB 0.000 29.770 29.762 0.013 0.000 1.292 477 H HN 0.000 nan 8.280 nan 0.000 0.496