REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2jj2_1_F DATA FIRST_RESID 9 DATA SEQUENCE TTGRIVAVIG AVVDVQFDEG LPPILNALEV QGRETRLVLE VAQHLGESTV DATA SEQUENCE RTIAMDGTEG LVRGQKVLDS GAPIRIPVGP ETLGRIMNVI GEPIDERGPI DATA SEQUENCE KTKQFAAIHA EAPEFVEMSV EQEILVTGIK VVDLLAPYAK GGKIGLFGGA DATA SEQUENCE GVGKTVLIME LINNVAKAHG GYSVFAGVGE RTREGNDLYH EMIESGVINL DATA SEQUENCE KDATSKVALV YGQMNEPPGA RARVALTGLT VAEYFRDQEG QDVLLFIDNI DATA SEQUENCE FRFTQAGSEV SALLGRIPSA VGYQPTLATD MGTMQERITT TKKGSITSVQ DATA SEQUENCE AIYVPADDLT DPAPATTFAH LDATTVLSRA IAELGIYPAV DPLDSTSRIM DATA SEQUENCE DPNIVGSEHY DVARGVQKIL QDYKSLQDII AILGMDELSE EDKLTVSRAR DATA SEQUENCE KIQRFLSQPF QVAEVFTGHL GKLVPLKETI KGFQQILAGE YDHLPEQAFY DATA SEQUENCE MVGPIEEAVA KADKLA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.837 174.700 0.229 0.000 1.109 9 T CA 0.000 62.182 62.100 0.137 0.000 1.349 9 T CB 0.000 68.925 68.868 0.095 0.000 0.612 10 T N 1.003 115.672 114.554 0.192 0.000 2.824 10 T HA 0.682 5.032 4.350 -0.000 0.000 0.282 10 T C -0.271 174.349 174.700 -0.134 0.000 0.993 10 T CA 0.130 62.280 62.100 0.083 0.000 0.967 10 T CB 1.089 69.964 68.868 0.012 0.000 0.960 10 T HN 0.845 nan 8.240 nan 0.000 0.441 11 G N 3.085 111.565 108.800 -0.533 0.000 2.644 11 G HA2 0.759 4.719 3.960 -0.000 0.000 0.307 11 G HA3 0.759 4.719 3.960 -0.000 0.000 0.307 11 G C -1.324 173.250 174.900 -0.543 0.000 1.250 11 G CA -0.936 43.506 45.100 -1.097 0.000 0.996 11 G HN 0.754 nan 8.290 nan 0.000 0.489 12 R N -0.317 119.912 120.500 -0.452 0.000 2.575 12 R HA 0.353 4.693 4.340 -0.000 0.000 0.293 12 R C -0.523 175.659 176.300 -0.195 0.000 0.983 12 R CA -0.776 55.178 56.100 -0.243 0.000 0.887 12 R CB 2.484 32.685 30.300 -0.166 0.000 1.184 12 R HN 0.393 nan 8.270 nan 0.000 0.445 13 I N 3.418 123.910 120.570 -0.132 0.000 2.742 13 I HA -0.125 4.045 4.170 -0.000 0.000 0.287 13 I C 1.572 177.649 176.117 -0.067 0.000 1.186 13 I CA 0.232 61.482 61.300 -0.084 0.000 1.417 13 I CB 0.714 38.682 38.000 -0.054 0.000 1.377 13 I HN 0.592 nan 8.210 nan 0.000 0.556 14 V N 3.263 123.145 119.914 -0.053 0.000 3.523 14 V HA 0.543 4.663 4.120 -0.000 0.000 0.255 14 V C 0.651 176.731 176.094 -0.024 0.000 1.226 14 V CA 0.482 62.759 62.300 -0.039 0.000 1.092 14 V CB 0.092 31.893 31.823 -0.036 0.000 0.817 14 V HN 0.720 nan 8.190 nan 0.000 0.458 15 A N -0.289 122.520 122.820 -0.018 0.000 2.549 15 A HA 0.828 5.148 4.320 -0.000 0.000 0.297 15 A C -1.269 176.310 177.584 -0.008 0.000 1.061 15 A CA -0.428 51.602 52.037 -0.011 0.000 0.690 15 A CB 2.321 21.317 19.000 -0.006 0.000 1.287 15 A HN 0.499 nan 8.150 nan 0.000 0.402 16 V N 2.258 122.168 119.914 -0.007 0.000 2.569 16 V HA 0.598 4.718 4.120 -0.000 0.000 0.301 16 V C -1.338 174.753 176.094 -0.004 0.000 1.044 16 V CA -0.226 62.071 62.300 -0.005 0.000 0.874 16 V CB 1.522 33.341 31.823 -0.007 0.000 1.002 16 V HN 0.874 nan 8.190 nan 0.000 0.424 17 I N 4.979 125.547 120.570 -0.003 0.000 2.503 17 I HA 0.786 4.956 4.170 -0.000 0.000 0.282 17 I C 0.601 176.715 176.117 -0.005 0.000 1.059 17 I CA 1.144 62.441 61.300 -0.004 0.000 1.081 17 I CB 1.000 38.998 38.000 -0.004 0.000 1.210 17 I HN 0.906 nan 8.210 nan 0.000 0.450 18 G N 5.872 114.669 108.800 -0.005 0.000 2.651 18 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.315 18 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.315 18 G C 0.955 175.852 174.900 -0.004 0.000 1.258 18 G CA 0.756 45.852 45.100 -0.006 0.000 1.002 18 G HN 1.578 nan 8.290 nan 0.000 0.551 19 A N -0.879 121.937 122.820 -0.006 0.000 2.167 19 A HA 0.522 4.842 4.320 -0.000 0.000 0.214 19 A C 1.174 178.758 177.584 0.001 0.000 1.151 19 A CA 1.760 53.795 52.037 -0.003 0.000 0.735 19 A CB -0.023 18.972 19.000 -0.009 0.000 0.802 19 A HN 1.323 nan 8.150 nan 0.000 0.467 20 V N 1.073 120.987 119.914 0.000 0.000 2.407 20 V HA 0.396 4.516 4.120 -0.000 0.000 0.278 20 V C -0.647 175.452 176.094 0.008 0.000 1.037 20 V CA -0.274 62.029 62.300 0.005 0.000 0.900 20 V CB 1.373 33.198 31.823 0.002 0.000 0.983 20 V HN 0.104 nan 8.190 nan 0.000 0.459 21 V N 4.172 124.095 119.914 0.014 0.000 2.525 21 V HA 0.445 4.564 4.120 -0.000 0.000 0.299 21 V C -0.850 175.258 176.094 0.023 0.000 1.034 21 V CA -0.921 61.388 62.300 0.014 0.000 0.863 21 V CB 2.051 33.882 31.823 0.014 0.000 0.999 21 V HN 0.774 nan 8.190 nan 0.000 0.423 22 D N 3.223 123.633 120.400 0.016 0.000 2.225 22 D HA 0.579 5.219 4.640 -0.000 0.000 0.248 22 D C -0.446 175.859 176.300 0.008 0.000 1.096 22 D CA 0.025 54.038 54.000 0.022 0.000 0.863 22 D CB 2.098 42.906 40.800 0.013 0.000 1.156 22 D HN 0.285 nan 8.370 nan 0.000 0.450 23 V N 2.357 122.289 119.914 0.030 0.000 2.531 23 V HA 0.280 4.400 4.120 -0.000 0.000 0.301 23 V C -0.162 175.913 176.094 -0.031 0.000 1.034 23 V CA -0.932 61.349 62.300 -0.032 0.000 0.865 23 V CB 1.812 33.635 31.823 -0.000 0.000 0.995 23 V HN 0.399 nan 8.190 nan 0.000 0.424 24 Q N 3.132 122.841 119.800 -0.151 0.000 2.257 24 Q HA 0.609 4.949 4.340 -0.000 0.000 0.255 24 Q C -1.785 174.055 176.000 -0.266 0.000 0.920 24 Q CA -0.344 55.398 55.803 -0.102 0.000 0.927 24 Q CB 1.122 29.813 28.738 -0.079 0.000 1.229 24 Q HN 0.625 nan 8.270 nan 0.000 0.433 25 F N 2.425 122.344 119.950 -0.052 0.000 2.482 25 F HA 0.244 4.771 4.527 -0.001 0.000 0.331 25 F C 0.616 176.390 175.800 -0.043 0.000 1.115 25 F CA -0.648 57.323 58.000 -0.048 0.000 0.955 25 F CB 1.799 40.763 39.000 -0.060 0.000 1.136 25 F HN 0.651 nan 8.300 nan 0.000 0.452 26 D N 1.268 121.736 120.400 0.112 0.000 2.183 26 D HA -0.047 4.593 4.640 -0.000 0.000 0.205 26 D C 1.522 177.860 176.300 0.064 0.000 0.962 26 D CA 1.254 55.289 54.000 0.058 0.000 0.849 26 D CB 0.362 41.174 40.800 0.019 0.000 0.978 26 D HN 0.626 nan 8.370 nan 0.000 0.488 27 E N -0.328 119.924 120.200 0.087 0.000 2.184 27 E HA 0.286 4.636 4.350 -0.000 0.000 0.194 27 E C 0.689 177.311 176.600 0.037 0.000 0.978 27 E CA 0.136 56.567 56.400 0.052 0.000 0.998 27 E CB 0.077 29.802 29.700 0.042 0.000 1.240 27 E HN 0.051 nan 8.360 nan 0.000 0.492 28 G N 0.878 109.698 108.800 0.034 0.000 2.338 28 G HA2 0.454 4.414 3.960 -0.000 0.000 0.298 28 G HA3 0.454 4.414 3.960 -0.000 0.000 0.298 28 G C -1.208 173.596 174.900 -0.160 0.000 1.140 28 G CA -0.362 44.712 45.100 -0.045 0.000 0.860 28 G HN 0.096 nan 8.290 nan 0.000 0.470 29 L N 4.697 125.795 121.223 -0.208 0.000 2.272 29 L HA 0.446 4.785 4.340 -0.000 0.000 0.289 29 L C -1.790 174.859 176.870 -0.368 0.000 1.032 29 L CA -1.978 52.636 54.840 -0.377 0.000 0.810 29 L CB 1.626 43.495 42.059 -0.318 0.000 1.205 29 L HN 0.326 nan 8.230 nan 0.000 0.422 30 P HA 0.268 nan 4.420 nan 0.000 0.276 30 P C -2.723 174.566 177.300 -0.019 0.000 1.230 30 P CA -1.397 61.521 63.100 -0.303 0.000 0.776 30 P CB 0.098 31.554 31.700 -0.407 0.000 0.888 31 P HA 0.127 nan 4.420 nan 0.000 0.270 31 P C 0.409 177.701 177.300 -0.013 0.000 1.223 31 P CA -0.132 62.986 63.100 0.031 0.000 0.785 31 P CB 0.687 32.363 31.700 -0.039 0.000 0.923 32 I N 2.109 122.592 120.570 -0.144 0.000 2.775 32 I HA -0.153 4.016 4.170 -0.000 0.000 0.290 32 I C 1.661 177.697 176.117 -0.136 0.000 1.203 32 I CA 0.716 61.929 61.300 -0.145 0.000 1.433 32 I CB -0.356 37.514 38.000 -0.218 0.000 1.354 32 I HN 0.445 nan 8.210 nan 0.000 0.579 33 L N 1.928 123.065 121.223 -0.143 0.000 4.383 33 L HA -0.242 4.097 4.340 -0.000 0.000 0.402 33 L C 0.158 176.963 176.870 -0.108 0.000 0.803 33 L CA 0.127 54.832 54.840 -0.225 0.000 2.175 33 L CB -1.453 40.390 42.059 -0.359 0.000 1.434 33 L HN 0.698 nan 8.230 nan 0.000 0.591 34 N N 1.122 119.789 118.700 -0.056 0.000 2.479 34 N HA 0.460 5.200 4.740 -0.000 0.000 0.257 34 N C 0.274 175.790 175.510 0.009 0.000 1.232 34 N CA 0.904 53.941 53.050 -0.022 0.000 0.920 34 N CB 0.863 39.328 38.487 -0.036 0.000 1.105 34 N HN 0.299 nan 8.380 nan 0.000 0.444 35 A N 2.639 125.473 122.820 0.024 0.000 2.276 35 A HA 0.475 4.795 4.320 -0.000 0.000 0.300 35 A C -0.253 177.355 177.584 0.040 0.000 1.235 35 A CA -0.545 51.516 52.037 0.040 0.000 0.867 35 A CB -0.135 18.891 19.000 0.043 0.000 1.137 35 A HN 0.616 nan 8.150 nan 0.000 0.527 36 L N 2.043 123.302 121.223 0.060 0.000 2.344 36 L HA 0.518 4.857 4.340 -0.000 0.000 0.272 36 L C -0.036 176.873 176.870 0.065 0.000 1.035 36 L CA -0.733 54.159 54.840 0.086 0.000 0.807 36 L CB 1.340 43.483 42.059 0.141 0.000 1.237 36 L HN 0.580 nan 8.230 nan 0.000 0.442 37 E N 2.121 122.358 120.200 0.061 0.000 2.155 37 E HA 0.299 4.649 4.350 -0.000 0.000 0.264 37 E C -0.969 175.651 176.600 0.033 0.000 0.886 37 E CA -0.600 55.823 56.400 0.038 0.000 0.752 37 E CB 2.542 32.258 29.700 0.027 0.000 1.133 37 E HN 0.196 nan 8.360 nan 0.000 0.414 38 V N 4.089 124.017 119.914 0.023 0.000 2.508 38 V HA 0.005 4.125 4.120 -0.000 0.000 0.281 38 V C 0.558 176.654 176.094 0.003 0.000 1.041 38 V CA -0.424 61.882 62.300 0.010 0.000 1.016 38 V CB 0.785 32.612 31.823 0.006 0.000 0.984 38 V HN 0.464 nan 8.190 nan 0.000 0.478 39 Q N 2.626 122.423 119.800 -0.005 0.000 2.299 39 Q HA 0.430 4.770 4.340 -0.000 0.000 0.246 39 Q C 1.142 177.137 176.000 -0.010 0.000 0.935 39 Q CA 0.598 56.396 55.803 -0.007 0.000 0.887 39 Q CB 1.111 29.842 28.738 -0.012 0.000 1.223 39 Q HN 1.156 nan 8.270 nan 0.000 0.439 40 G N 1.957 110.752 108.800 -0.008 0.000 2.171 40 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.238 40 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.238 40 G C -0.211 174.686 174.900 -0.006 0.000 1.039 40 G CA -0.188 44.907 45.100 -0.008 0.000 0.759 40 G HN 0.340 nan 8.290 nan 0.000 0.501 41 R N -0.582 119.916 120.500 -0.003 0.000 2.637 41 R HA 0.481 4.821 4.340 -0.000 0.000 0.291 41 R C 0.908 177.208 176.300 -0.000 0.000 0.963 41 R CA -0.727 55.372 56.100 -0.001 0.000 0.901 41 R CB 1.279 31.580 30.300 0.001 0.000 1.160 41 R HN 0.310 nan 8.270 nan 0.000 0.457 42 E N 0.509 120.709 120.200 0.000 0.000 2.106 42 E HA -0.086 4.264 4.350 -0.000 0.000 0.192 42 E C 0.251 176.853 176.600 0.002 0.000 0.984 42 E CA 1.406 57.806 56.400 0.001 0.000 0.806 42 E CB 0.305 30.006 29.700 0.001 0.000 0.750 42 E HN 0.652 nan 8.360 nan 0.000 0.458 43 T N -1.687 112.869 114.554 0.003 0.000 2.918 43 T HA 0.364 4.714 4.350 -0.000 0.000 0.286 43 T C -0.188 174.516 174.700 0.007 0.000 1.026 43 T CA -1.016 61.087 62.100 0.005 0.000 1.031 43 T CB 1.984 70.855 68.868 0.005 0.000 1.046 43 T HN -0.077 nan 8.240 nan 0.000 0.479 44 R N 1.277 121.782 120.500 0.009 0.000 2.446 44 R HA 0.240 4.580 4.340 -0.000 0.000 0.314 44 R C -0.962 175.346 176.300 0.013 0.000 1.003 44 R CA -0.469 55.638 56.100 0.011 0.000 1.018 44 R CB -0.192 30.116 30.300 0.013 0.000 0.945 44 R HN 0.579 nan 8.270 nan 0.000 0.419 45 L N 6.477 127.708 121.223 0.013 0.000 2.295 45 L HA 0.304 4.644 4.340 -0.000 0.000 0.281 45 L C -1.124 175.759 176.870 0.022 0.000 1.018 45 L CA -0.464 54.386 54.840 0.016 0.000 0.841 45 L CB 1.666 43.732 42.059 0.012 0.000 1.218 45 L HN 0.312 nan 8.230 nan 0.000 0.424 46 V N 6.240 126.170 119.914 0.026 0.000 2.509 46 V HA 0.415 4.535 4.120 -0.000 0.000 0.284 46 V C 0.169 176.286 176.094 0.038 0.000 1.047 46 V CA -0.502 61.818 62.300 0.034 0.000 0.952 46 V CB 1.418 33.263 31.823 0.037 0.000 0.988 46 V HN 0.579 nan 8.190 nan 0.000 0.469 47 L N 4.129 125.380 121.223 0.047 0.000 2.322 47 L HA 0.616 4.956 4.340 -0.000 0.000 0.281 47 L C -0.010 176.895 176.870 0.058 0.000 1.014 47 L CA -0.368 54.502 54.840 0.051 0.000 0.815 47 L CB 1.777 43.870 42.059 0.058 0.000 1.247 47 L HN 0.669 nan 8.230 nan 0.000 0.421 48 E N 2.502 122.736 120.200 0.056 0.000 2.151 48 E HA 0.354 4.704 4.350 -0.000 0.000 0.275 48 E C -1.098 175.526 176.600 0.040 0.000 0.936 48 E CA -0.798 55.635 56.400 0.055 0.000 0.777 48 E CB 1.942 31.690 29.700 0.081 0.000 1.108 48 E HN 0.357 nan 8.360 nan 0.000 0.401 49 V N 4.380 124.311 119.914 0.029 0.000 2.485 49 V HA 0.075 4.195 4.120 -0.000 0.000 0.287 49 V C 0.926 177.023 176.094 0.005 0.000 1.022 49 V CA 0.946 63.268 62.300 0.036 0.000 1.067 49 V CB 0.614 32.463 31.823 0.043 0.000 0.967 49 V HN 0.886 nan 8.190 nan 0.000 0.479 50 A N 4.425 127.260 122.820 0.024 0.000 2.013 50 A HA 0.327 4.647 4.320 -0.000 0.000 0.204 50 A C 0.707 178.292 177.584 0.001 0.000 1.262 50 A CA 0.262 52.301 52.037 0.002 0.000 0.800 50 A CB 0.360 19.367 19.000 0.012 0.000 0.909 50 A HN 0.767 nan 8.150 nan 0.000 0.472 51 Q N -1.034 118.795 119.800 0.049 0.000 2.418 51 Q HA 0.372 4.712 4.340 -0.000 0.000 0.282 51 Q C -1.687 174.436 176.000 0.205 0.000 1.044 51 Q CA -0.545 55.296 55.803 0.064 0.000 0.813 51 Q CB 1.794 30.561 28.738 0.048 0.000 1.428 51 Q HN 0.608 nan 8.270 nan 0.000 0.402 52 H N 1.973 121.039 119.070 -0.006 0.000 2.640 52 H HA 0.238 4.793 4.556 -0.001 0.000 0.297 52 H C 0.508 175.840 175.328 0.006 0.000 1.073 52 H CA -0.276 55.773 56.048 0.000 0.000 1.305 52 H CB 1.009 30.764 29.762 -0.011 0.000 1.404 52 H HN 0.436 nan 8.280 nan 0.000 0.459 53 L N 2.895 124.180 121.223 0.104 0.000 2.492 53 L HA 0.161 4.501 4.340 -0.000 0.000 0.223 53 L C 1.202 178.099 176.870 0.044 0.000 1.132 53 L CA 0.450 55.326 54.840 0.061 0.000 0.850 53 L CB -0.029 42.055 42.059 0.042 0.000 0.966 53 L HN 0.890 nan 8.230 nan 0.000 0.454 54 G N 0.283 109.107 108.800 0.040 0.000 2.661 54 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.685 54 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.685 54 G C 0.004 174.909 174.900 0.008 0.000 1.298 54 G CA -0.426 44.687 45.100 0.022 0.000 0.855 54 G HN 0.334 nan 8.290 nan 0.000 0.560 55 E N -0.979 119.224 120.200 0.005 0.000 2.440 55 E HA -0.214 4.136 4.350 -0.000 0.000 0.246 55 E C 1.008 177.609 176.600 0.000 0.000 1.165 55 E CA 1.062 57.464 56.400 0.002 0.000 0.726 55 E CB -1.528 28.175 29.700 0.004 0.000 1.271 55 E HN 1.982 nan 8.360 nan 0.000 0.397 56 S N -1.892 113.802 115.700 -0.010 0.000 3.476 56 S HA -0.197 4.273 4.470 -0.000 0.000 0.309 56 S C 0.146 174.760 174.600 0.024 0.000 1.222 56 S CA 1.492 59.690 58.200 -0.004 0.000 0.922 56 S CB -0.863 62.348 63.200 0.019 0.000 1.023 56 S HN 0.468 nan 8.310 nan 0.000 0.591 57 T N 1.625 116.183 114.554 0.007 0.000 2.823 57 T HA 0.611 4.961 4.350 -0.000 0.000 0.279 57 T C 0.281 174.994 174.700 0.021 0.000 0.998 57 T CA -0.319 61.800 62.100 0.033 0.000 0.994 57 T CB 1.765 70.645 68.868 0.020 0.000 0.960 57 T HN 0.480 nan 8.240 nan 0.000 0.448 58 V N 1.481 121.440 119.914 0.074 0.000 2.630 58 V HA 0.731 4.851 4.120 -0.000 0.000 0.305 58 V C -0.145 176.006 176.094 0.096 0.000 1.046 58 V CA -1.347 61.004 62.300 0.084 0.000 0.934 58 V CB 1.540 33.422 31.823 0.098 0.000 1.003 58 V HN 0.845 nan 8.190 nan 0.000 0.451 59 R N 2.382 122.937 120.500 0.091 0.000 2.312 59 R HA 0.707 5.046 4.340 -0.000 0.000 0.311 59 R C 0.010 176.350 176.300 0.066 0.000 1.004 59 R CA 0.319 56.458 56.100 0.066 0.000 0.902 59 R CB 1.423 31.752 30.300 0.048 0.000 1.073 59 R HN 1.174 nan 8.270 nan 0.000 0.457 60 T N 1.041 115.628 114.554 0.056 0.000 2.907 60 T HA 0.591 4.941 4.350 -0.000 0.000 0.290 60 T C -0.158 174.563 174.700 0.035 0.000 1.066 60 T CA -0.870 61.262 62.100 0.052 0.000 1.012 60 T CB 1.157 70.065 68.868 0.067 0.000 1.184 60 T HN 0.436 nan 8.240 nan 0.000 0.522 61 I N 1.254 121.844 120.570 0.033 0.000 2.436 61 I HA 0.598 4.768 4.170 -0.000 0.000 0.289 61 I C 0.444 176.578 176.117 0.028 0.000 1.010 61 I CA -1.300 60.014 61.300 0.024 0.000 1.098 61 I CB 1.755 39.767 38.000 0.020 0.000 1.266 61 I HN 0.968 nan 8.210 nan 0.000 0.434 62 A N 6.808 129.641 122.820 0.021 0.000 2.371 62 A HA 0.462 4.782 4.320 -0.000 0.000 0.257 62 A C 0.775 178.371 177.584 0.021 0.000 1.089 62 A CA -0.268 51.782 52.037 0.022 0.000 0.794 62 A CB 0.468 19.477 19.000 0.015 0.000 1.029 62 A HN 0.775 nan 8.150 nan 0.000 0.488 63 M N 0.763 120.378 119.600 0.025 0.000 2.495 63 M HA 0.176 4.656 4.480 -0.000 0.000 0.237 63 M C -0.111 176.200 176.300 0.018 0.000 1.131 63 M CA 0.649 55.964 55.300 0.024 0.000 1.032 63 M CB -0.964 31.655 32.600 0.031 0.000 1.513 63 M HN 0.789 nan 8.290 nan 0.000 0.488 64 D N -1.165 119.244 120.400 0.015 0.000 2.759 64 D HA 0.420 5.060 4.640 -0.000 0.000 0.321 64 D C -0.525 175.780 176.300 0.008 0.000 1.267 64 D CA -0.189 53.818 54.000 0.011 0.000 0.933 64 D CB 1.301 42.108 40.800 0.012 0.000 1.431 64 D HN 0.119 nan 8.370 nan 0.000 0.504 65 G N -0.783 108.020 108.800 0.006 0.000 2.474 65 G HA2 0.295 4.254 3.960 -0.000 0.000 0.233 65 G HA3 0.295 4.254 3.960 -0.000 0.000 0.233 65 G C 0.833 175.735 174.900 0.003 0.000 1.278 65 G CA 0.753 45.855 45.100 0.003 0.000 0.861 65 G HN 0.398 nan 8.290 nan 0.000 0.567 66 T N -1.395 113.159 114.554 0.001 0.000 3.054 66 T HA 0.148 4.498 4.350 -0.000 0.000 0.255 66 T C 0.771 175.470 174.700 -0.002 0.000 1.035 66 T CA 0.103 62.203 62.100 -0.000 0.000 0.941 66 T CB 0.071 68.939 68.868 -0.000 0.000 1.026 66 T HN 0.664 nan 8.240 nan 0.000 0.533 67 E N 2.069 122.268 120.200 -0.002 0.000 2.502 67 E HA 0.238 4.588 4.350 -0.000 0.000 0.261 67 E C 1.167 177.765 176.600 -0.003 0.000 0.974 67 E CA 0.935 57.333 56.400 -0.003 0.000 0.936 67 E CB -0.071 29.628 29.700 -0.002 0.000 0.926 67 E HN 0.544 nan 8.360 nan 0.000 0.459 68 G N 2.871 111.668 108.800 -0.005 0.000 2.213 68 G HA2 -0.253 3.706 3.960 -0.000 0.000 0.236 68 G HA3 -0.253 3.706 3.960 -0.000 0.000 0.236 68 G C 0.307 175.202 174.900 -0.007 0.000 0.991 68 G CA 0.123 45.220 45.100 -0.005 0.000 0.629 68 G HN 0.488 nan 8.290 nan 0.000 0.517 69 L N 1.133 122.351 121.223 -0.008 0.000 2.426 69 L HA 0.552 4.892 4.340 -0.000 0.000 0.271 69 L C 0.540 177.403 176.870 -0.013 0.000 1.169 69 L CA -0.474 54.359 54.840 -0.011 0.000 0.836 69 L CB 1.325 43.378 42.059 -0.010 0.000 1.112 69 L HN -0.006 nan 8.230 nan 0.000 0.465 70 V N 3.248 123.152 119.914 -0.017 0.000 2.769 70 V HA 0.389 4.509 4.120 -0.000 0.000 0.312 70 V C 0.131 176.210 176.094 -0.025 0.000 1.061 70 V CA -0.952 61.336 62.300 -0.019 0.000 0.931 70 V CB 2.068 33.880 31.823 -0.018 0.000 1.010 70 V HN 0.685 nan 8.190 nan 0.000 0.433 71 R N 1.913 122.399 120.500 -0.024 0.000 2.570 71 R HA 0.413 4.753 4.340 -0.000 0.000 0.277 71 R C 1.304 177.582 176.300 -0.036 0.000 1.039 71 R CA 1.097 57.179 56.100 -0.031 0.000 1.065 71 R CB 0.140 30.424 30.300 -0.026 0.000 0.964 71 R HN 1.193 nan 8.270 nan 0.000 0.428 72 G N 1.532 110.303 108.800 -0.049 0.000 2.234 72 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.235 72 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.235 72 G C 0.218 175.082 174.900 -0.060 0.000 0.997 72 G CA 0.078 45.145 45.100 -0.055 0.000 0.623 72 G HN 0.601 nan 8.290 nan 0.000 0.514 73 Q N 1.370 121.139 119.800 -0.053 0.000 2.315 73 Q HA 0.343 4.683 4.340 -0.000 0.000 0.289 73 Q C 0.287 176.245 176.000 -0.070 0.000 1.044 73 Q CA 0.290 56.063 55.803 -0.050 0.000 0.920 73 Q CB 0.401 29.117 28.738 -0.037 0.000 1.214 73 Q HN 0.242 nan 8.270 nan 0.000 0.392 74 K N 2.238 122.600 120.400 -0.064 0.000 2.185 74 K HA 0.392 4.712 4.320 -0.000 0.000 0.271 74 K C -0.965 175.592 176.600 -0.072 0.000 1.013 74 K CA -0.377 55.861 56.287 -0.083 0.000 0.943 74 K CB 1.448 33.911 32.500 -0.060 0.000 0.998 74 K HN 0.424 nan 8.250 nan 0.000 0.468 75 V N 3.402 123.255 119.914 -0.101 0.000 2.760 75 V HA 0.410 4.530 4.120 -0.000 0.000 0.309 75 V C -0.416 175.694 176.094 0.025 0.000 1.077 75 V CA -0.971 61.306 62.300 -0.039 0.000 0.910 75 V CB 1.909 33.709 31.823 -0.038 0.000 1.008 75 V HN 0.537 nan 8.190 nan 0.000 0.424 76 L N 2.634 123.908 121.223 0.085 0.000 2.317 76 L HA 0.565 4.905 4.340 -0.000 0.000 0.281 76 L C -0.252 176.716 176.870 0.163 0.000 1.024 76 L CA -0.596 54.324 54.840 0.134 0.000 0.810 76 L CB 1.719 43.819 42.059 0.068 0.000 1.240 76 L HN 0.611 nan 8.230 nan 0.000 0.427 77 D N 0.915 121.425 120.400 0.183 0.000 2.383 77 D HA -0.002 4.638 4.640 -0.000 0.000 0.252 77 D C 1.114 177.431 176.300 0.029 0.000 1.166 77 D CA 0.070 54.108 54.000 0.065 0.000 0.879 77 D CB 1.402 42.173 40.800 -0.048 0.000 1.164 77 D HN 0.553 nan 8.370 nan 0.000 0.462 78 S N 2.760 118.469 115.700 0.015 0.000 2.489 78 S HA 0.104 4.574 4.470 -0.000 0.000 0.228 78 S C 1.729 176.319 174.600 -0.017 0.000 0.995 78 S CA 0.648 58.846 58.200 -0.002 0.000 0.934 78 S CB -0.212 62.986 63.200 -0.004 0.000 0.771 78 S HN 0.956 nan 8.310 nan 0.000 0.522 79 G N 0.232 109.018 108.800 -0.023 0.000 2.176 79 G HA2 0.046 4.006 3.960 -0.000 0.000 0.253 79 G HA3 0.046 4.006 3.960 -0.000 0.000 0.253 79 G C 0.164 175.048 174.900 -0.027 0.000 0.979 79 G CA -0.081 45.001 45.100 -0.031 0.000 0.641 79 G HN 1.536 nan 8.290 nan 0.000 0.530 80 A N -0.731 122.078 122.820 -0.018 0.000 2.583 80 A HA 0.948 5.268 4.320 -0.000 0.000 0.289 80 A C -2.997 174.593 177.584 0.010 0.000 1.151 80 A CA -0.904 51.129 52.037 -0.007 0.000 0.695 80 A CB 1.234 20.231 19.000 -0.005 0.000 1.290 80 A HN 0.099 nan 8.150 nan 0.000 0.419 81 P HA 0.366 nan 4.420 nan 0.000 0.274 81 P C -0.373 176.980 177.300 0.089 0.000 1.256 81 P CA -0.259 62.886 63.100 0.075 0.000 0.795 81 P CB 0.172 31.951 31.700 0.131 0.000 1.038 82 I N 1.021 121.661 120.570 0.118 0.000 2.906 82 I HA -0.131 4.039 4.170 -0.000 0.000 0.301 82 I C 1.159 177.322 176.117 0.078 0.000 1.221 82 I CA 1.113 62.464 61.300 0.085 0.000 1.435 82 I CB -0.265 37.783 38.000 0.080 0.000 1.345 82 I HN 0.154 nan 8.210 nan 0.000 0.558 83 R N 7.161 127.706 120.500 0.074 0.000 2.637 83 R HA 0.763 5.103 4.340 -0.000 0.000 0.291 83 R C -0.793 175.619 176.300 0.187 0.000 0.963 83 R CA -0.862 55.306 56.100 0.113 0.000 0.901 83 R CB 2.170 32.527 30.300 0.094 0.000 1.160 83 R HN 0.603 nan 8.270 nan 0.000 0.457 84 I N -1.373 119.307 120.570 0.184 0.000 2.828 84 I HA 0.610 4.780 4.170 -0.000 0.000 0.302 84 I C -2.722 173.362 176.117 -0.056 0.000 1.101 84 I CA -3.294 58.078 61.300 0.120 0.000 1.031 84 I CB 2.408 40.414 38.000 0.011 0.000 1.231 84 I HN 0.300 nan 8.210 nan 0.000 0.427 85 P HA 0.179 nan 4.420 nan 0.000 0.268 85 P C -0.748 176.272 177.300 -0.468 0.000 1.204 85 P CA -0.095 62.617 63.100 -0.646 0.000 0.768 85 P CB 0.801 32.213 31.700 -0.480 0.000 0.842 86 V N 0.198 119.755 119.914 -0.595 0.000 3.040 86 V HA 1.015 5.135 4.120 -0.000 0.000 0.312 86 V C 0.095 175.523 176.094 -1.110 0.000 1.115 86 V CA -0.191 61.664 62.300 -0.742 0.000 0.998 86 V CB 1.432 32.867 31.823 -0.647 0.000 1.042 86 V HN 0.939 nan 8.190 nan 0.000 0.433 87 G N 2.498 110.344 108.800 -1.591 0.000 2.422 87 G HA2 0.051 4.011 3.960 -0.000 0.000 0.607 87 G HA3 0.051 4.011 3.960 -0.000 0.000 0.607 87 G C -2.521 172.104 174.900 -0.459 0.000 1.270 87 G CA -0.042 44.262 45.100 -1.327 0.000 0.992 87 G HN 0.680 nan 8.290 nan 0.000 0.499 88 P HA -0.018 nan 4.420 nan 0.000 0.218 88 P C 1.508 178.789 177.300 -0.032 0.000 1.148 88 P CA 1.806 64.911 63.100 0.008 0.000 0.822 88 P CB 0.041 31.763 31.700 0.037 0.000 0.784 89 E N -0.731 119.413 120.200 -0.094 0.000 2.409 89 E HA -0.109 4.241 4.350 -0.000 0.000 0.198 89 E C 1.677 178.237 176.600 -0.066 0.000 1.024 89 E CA 1.564 57.918 56.400 -0.078 0.000 0.861 89 E CB -1.385 28.250 29.700 -0.109 0.000 0.788 89 E HN 0.444 nan 8.360 nan 0.000 0.521 90 T N -0.863 113.644 114.554 -0.077 0.000 2.985 90 T HA 0.014 4.364 4.350 -0.000 0.000 0.266 90 T C 1.267 175.993 174.700 0.043 0.000 1.076 90 T CA -0.007 62.074 62.100 -0.032 0.000 1.135 90 T CB -0.323 68.513 68.868 -0.054 0.000 0.890 90 T HN -0.012 nan 8.240 nan 0.000 0.480 91 L N 1.942 123.197 121.223 0.054 0.000 2.499 91 L HA 0.419 4.759 4.340 -0.000 0.000 0.273 91 L C 1.795 178.698 176.870 0.056 0.000 1.195 91 L CA 0.838 55.703 54.840 0.042 0.000 0.882 91 L CB 0.024 42.068 42.059 -0.026 0.000 1.133 91 L HN 0.557 nan 8.230 nan 0.000 0.483 92 G N 1.730 110.580 108.800 0.084 0.000 2.212 92 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.266 92 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.266 92 G C 0.425 175.408 174.900 0.140 0.000 0.978 92 G CA -0.233 44.932 45.100 0.108 0.000 0.632 92 G HN 0.476 nan 8.290 nan 0.000 0.537 93 R N -0.033 120.526 120.500 0.098 0.000 2.536 93 R HA 0.731 5.071 4.340 -0.000 0.000 0.279 93 R C 0.244 176.577 176.300 0.055 0.000 1.001 93 R CA -0.869 55.272 56.100 0.069 0.000 1.027 93 R CB 0.805 31.123 30.300 0.030 0.000 1.096 93 R HN 0.327 nan 8.270 nan 0.000 0.502 94 I N 3.342 123.904 120.570 -0.014 0.000 2.362 94 I HA 0.384 4.554 4.170 -0.000 0.000 0.289 94 I C 0.536 176.651 176.117 -0.004 0.000 0.994 94 I CA -0.594 60.692 61.300 -0.023 0.000 1.158 94 I CB 1.327 39.207 38.000 -0.200 0.000 1.315 94 I HN 0.400 nan 8.210 nan 0.000 0.451 95 M N 4.399 124.025 119.600 0.043 0.000 2.724 95 M HA 0.637 5.117 4.480 -0.000 0.000 0.310 95 M C -0.959 175.373 176.300 0.053 0.000 1.217 95 M CA -0.709 54.609 55.300 0.029 0.000 0.894 95 M CB 2.003 34.611 32.600 0.013 0.000 1.719 95 M HN 0.503 nan 8.290 nan 0.000 0.479 96 N N 0.511 119.234 118.700 0.038 0.000 2.643 96 N HA 0.257 4.997 4.740 -0.000 0.000 0.305 96 N C 0.484 176.012 175.510 0.030 0.000 1.283 96 N CA -0.819 52.258 53.050 0.045 0.000 0.946 96 N CB 0.407 38.915 38.487 0.035 0.000 1.149 96 N HN 0.619 nan 8.380 nan 0.000 0.600 97 V N -0.258 119.672 119.914 0.027 0.000 2.370 97 V HA -0.196 3.924 4.120 -0.000 0.000 0.252 97 V C 1.600 177.703 176.094 0.016 0.000 1.068 97 V CA 2.286 64.596 62.300 0.016 0.000 1.061 97 V CB -0.804 31.030 31.823 0.018 0.000 0.656 97 V HN 0.666 nan 8.190 nan 0.000 0.455 98 I N -2.451 118.135 120.570 0.025 0.000 3.861 98 I HA 0.543 4.713 4.170 -0.000 0.000 0.329 98 I C 1.358 177.502 176.117 0.044 0.000 1.321 98 I CA 0.613 61.934 61.300 0.034 0.000 1.126 98 I CB -0.164 37.857 38.000 0.035 0.000 1.018 98 I HN 0.319 nan 8.210 nan 0.000 0.407 99 G N 1.002 109.822 108.800 0.034 0.000 2.179 99 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.260 99 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.260 99 G C -0.019 174.903 174.900 0.038 0.000 0.977 99 G CA 0.065 45.185 45.100 0.033 0.000 0.641 99 G HN 0.638 nan 8.290 nan 0.000 0.533 100 E N 2.034 122.256 120.200 0.037 0.000 2.392 100 E HA 0.292 4.642 4.350 -0.000 0.000 0.264 100 E C -2.036 174.573 176.600 0.015 0.000 1.024 100 E CA -1.257 55.161 56.400 0.030 0.000 0.903 100 E CB 0.885 30.600 29.700 0.025 0.000 0.963 100 E HN 0.270 nan 8.360 nan 0.000 0.432 101 P HA 0.028 nan 4.420 nan 0.000 0.275 101 P C 0.077 177.367 177.300 -0.016 0.000 1.228 101 P CA 0.350 63.447 63.100 -0.005 0.000 0.786 101 P CB 0.414 32.112 31.700 -0.004 0.000 0.927 102 I N -1.384 119.162 120.570 -0.039 0.000 3.813 102 I HA 0.272 4.442 4.170 -0.000 0.000 0.323 102 I C 0.069 176.119 176.117 -0.112 0.000 1.536 102 I CA -0.309 60.955 61.300 -0.060 0.000 1.083 102 I CB 0.106 38.075 38.000 -0.051 0.000 1.265 102 I HN 0.035 nan 8.210 nan 0.000 0.507 103 D N 0.281 120.618 120.400 -0.104 0.000 2.431 103 D HA 0.051 4.691 4.640 -0.000 0.000 0.213 103 D C 0.486 176.764 176.300 -0.036 0.000 1.130 103 D CA -0.174 53.748 54.000 -0.130 0.000 0.834 103 D CB -0.008 40.697 40.800 -0.158 0.000 0.985 103 D HN 0.434 nan 8.370 nan 0.000 0.504 104 E N -0.217 119.971 120.200 -0.021 0.000 2.637 104 E HA -0.240 4.110 4.350 -0.000 0.000 0.265 104 E C 0.184 176.794 176.600 0.018 0.000 1.073 104 E CA 0.270 56.672 56.400 0.003 0.000 0.778 104 E CB -0.964 28.742 29.700 0.010 0.000 1.362 104 E HN 0.375 nan 8.360 nan 0.000 0.413 105 R N -0.182 120.329 120.500 0.018 0.000 2.586 105 R HA 0.276 4.615 4.340 -0.000 0.000 0.336 105 R C 0.819 177.131 176.300 0.020 0.000 1.060 105 R CA 0.321 56.438 56.100 0.029 0.000 1.079 105 R CB 1.091 31.417 30.300 0.044 0.000 1.317 105 R HN 0.306 nan 8.270 nan 0.000 0.568 106 G N 2.095 110.904 108.800 0.015 0.000 2.741 106 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.222 106 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.222 106 G C -2.514 172.394 174.900 0.013 0.000 1.364 106 G CA -1.200 43.909 45.100 0.014 0.000 0.866 106 G HN 0.060 nan 8.290 nan 0.000 0.555 107 P HA 0.382 nan 4.420 nan 0.000 0.267 107 P C 0.124 177.429 177.300 0.008 0.000 1.200 107 P CA -0.079 63.033 63.100 0.020 0.000 0.772 107 P CB 0.316 32.033 31.700 0.027 0.000 0.855 108 I N 3.060 123.630 120.570 -0.001 0.000 2.269 108 I HA 0.109 4.278 4.170 -0.000 0.000 0.293 108 I C 0.956 177.042 176.117 -0.053 0.000 1.106 108 I CA -0.334 60.945 61.300 -0.036 0.000 1.248 108 I CB -0.138 37.825 38.000 -0.062 0.000 1.444 108 I HN 0.160 nan 8.210 nan 0.000 0.497 109 K N 5.021 125.397 120.400 -0.039 0.000 2.183 109 K HA 0.325 4.645 4.320 -0.000 0.000 0.272 109 K C -0.257 176.296 176.600 -0.079 0.000 1.113 109 K CA -0.444 55.826 56.287 -0.029 0.000 0.949 109 K CB -0.220 32.282 32.500 0.004 0.000 1.365 109 K HN 0.498 nan 8.250 nan 0.000 0.420 110 T N 0.236 114.692 114.554 -0.162 0.000 2.943 110 T HA 0.283 4.632 4.350 -0.000 0.000 0.284 110 T C 0.709 175.320 174.700 -0.148 0.000 1.015 110 T CA -0.980 60.972 62.100 -0.247 0.000 1.042 110 T CB 1.802 70.367 68.868 -0.505 0.000 1.055 110 T HN 0.288 nan 8.240 nan 0.000 0.500 111 K N 0.309 120.637 120.400 -0.119 0.000 2.044 111 K HA 0.116 4.436 4.320 -0.000 0.000 0.204 111 K C 0.590 177.193 176.600 0.005 0.000 1.049 111 K CA 1.023 57.298 56.287 -0.021 0.000 0.945 111 K CB -0.098 32.397 32.500 -0.009 0.000 0.724 111 K HN 0.573 nan 8.250 nan 0.000 0.440 112 Q N -0.645 119.084 119.800 -0.119 0.000 2.235 112 Q HA 0.497 4.836 4.340 -0.000 0.000 0.256 112 Q C -0.982 174.863 176.000 -0.258 0.000 0.951 112 Q CA -0.321 55.441 55.803 -0.068 0.000 0.890 112 Q CB 1.157 29.859 28.738 -0.061 0.000 1.279 112 Q HN -0.061 nan 8.270 nan 0.000 0.444 113 F N 0.249 120.160 119.950 -0.066 0.000 2.546 113 F HA 0.817 5.344 4.527 -0.000 0.000 0.320 113 F C -0.297 175.476 175.800 -0.046 0.000 1.076 113 F CA -0.922 57.038 58.000 -0.066 0.000 0.928 113 F CB 1.946 40.920 39.000 -0.044 0.000 1.189 113 F HN 0.565 nan 8.300 nan 0.000 0.465 114 A N 1.327 124.208 122.820 0.102 0.000 2.414 114 A HA 0.863 5.182 4.320 -0.000 0.000 0.306 114 A C -1.068 176.556 177.584 0.067 0.000 1.054 114 A CA -0.750 51.325 52.037 0.064 0.000 0.724 114 A CB 1.058 20.066 19.000 0.014 0.000 1.267 114 A HN 0.981 nan 8.150 nan 0.000 0.418 115 A N 1.234 124.091 122.820 0.062 0.000 2.388 115 A HA 0.484 4.804 4.320 -0.000 0.000 0.257 115 A C 1.051 178.651 177.584 0.027 0.000 1.095 115 A CA 0.112 52.187 52.037 0.063 0.000 0.791 115 A CB -0.329 18.718 19.000 0.079 0.000 1.029 115 A HN 1.663 nan 8.150 nan 0.000 0.489 116 I N -0.650 119.914 120.570 -0.009 0.000 3.111 116 I HA 0.040 4.210 4.170 -0.000 0.000 0.272 116 I C 0.153 176.114 176.117 -0.260 0.000 1.268 116 I CA 0.431 61.653 61.300 -0.130 0.000 1.467 116 I CB -0.326 37.571 38.000 -0.171 0.000 1.087 116 I HN 0.494 nan 8.210 nan 0.000 0.467 117 H N 2.378 121.452 119.070 0.007 0.000 2.467 117 H HA 0.806 5.362 4.556 -0.000 0.000 0.326 117 H C -0.434 174.894 175.328 0.001 0.000 1.094 117 H CA -0.170 55.880 56.048 0.004 0.000 1.253 117 H CB 1.693 31.460 29.762 0.007 0.000 1.439 117 H HN 0.405 nan 8.280 nan 0.000 0.479 118 A N 3.020 125.899 122.820 0.099 0.000 2.610 118 A HA 0.341 4.661 4.320 -0.000 0.000 0.291 118 A C -0.641 176.970 177.584 0.044 0.000 1.086 118 A CA -0.909 51.162 52.037 0.056 0.000 0.677 118 A CB 1.701 20.716 19.000 0.025 0.000 1.278 118 A HN 0.671 nan 8.150 nan 0.000 0.414 119 E N 0.576 120.795 120.200 0.031 0.000 2.349 119 E HA 0.487 4.837 4.350 -0.000 0.000 0.265 119 E C 0.268 176.878 176.600 0.016 0.000 1.064 119 E CA -0.254 56.161 56.400 0.026 0.000 0.886 119 E CB 1.501 31.215 29.700 0.023 0.000 1.036 119 E HN 0.820 nan 8.360 nan 0.000 0.413 120 A N 3.479 126.310 122.820 0.017 0.000 2.425 120 A HA 0.267 4.587 4.320 -0.000 0.000 0.249 120 A C -2.122 175.473 177.584 0.018 0.000 1.084 120 A CA -1.160 50.884 52.037 0.012 0.000 0.781 120 A CB -0.392 18.620 19.000 0.020 0.000 1.019 120 A HN 0.313 nan 8.150 nan 0.000 0.490 121 P HA 0.019 nan 4.420 nan 0.000 0.263 121 P C 0.031 177.349 177.300 0.029 0.000 1.175 121 P CA 0.346 63.451 63.100 0.009 0.000 0.761 121 P CB 0.408 32.104 31.700 -0.006 0.000 0.794 122 E N 1.886 122.108 120.200 0.037 0.000 2.416 122 E HA -0.035 4.315 4.350 -0.000 0.000 0.254 122 E C 0.916 177.577 176.600 0.103 0.000 1.241 122 E CA -0.181 56.265 56.400 0.077 0.000 0.969 122 E CB 0.005 29.749 29.700 0.073 0.000 0.999 122 E HN 0.388 nan 8.360 nan 0.000 0.481 123 F N 1.577 121.528 119.950 0.002 0.000 2.126 123 F HA -0.234 4.293 4.527 -0.000 0.000 0.299 123 F C 1.960 177.760 175.800 -0.000 0.000 1.096 123 F CA 1.914 59.915 58.000 0.001 0.000 1.255 123 F CB -0.287 38.714 39.000 0.002 0.000 0.997 123 F HN 0.254 nan 8.300 nan 0.000 0.479 124 V N -2.115 117.806 119.914 0.012 0.000 3.078 124 V HA -0.141 3.979 4.120 -0.000 0.000 0.265 124 V C 1.483 177.505 176.094 -0.120 0.000 1.122 124 V CA 1.834 64.082 62.300 -0.086 0.000 1.141 124 V CB -1.006 30.834 31.823 0.029 0.000 0.735 124 V HN 0.452 nan 8.190 nan 0.000 0.498 125 E N -0.053 120.089 120.200 -0.097 0.000 2.478 125 E HA 0.168 4.518 4.350 -0.000 0.000 0.194 125 E C 0.636 177.171 176.600 -0.108 0.000 1.045 125 E CA -0.210 56.143 56.400 -0.078 0.000 0.868 125 E CB 0.036 29.713 29.700 -0.039 0.000 0.885 125 E HN 0.481 nan 8.360 nan 0.000 0.505 126 M N 0.886 120.377 119.600 -0.182 0.000 2.245 126 M HA 0.071 4.551 4.480 -0.000 0.000 0.330 126 M C 0.457 176.669 176.300 -0.146 0.000 1.098 126 M CA 0.204 55.398 55.300 -0.177 0.000 1.172 126 M CB 0.966 33.403 32.600 -0.272 0.000 1.467 126 M HN -0.162 nan 8.290 nan 0.000 0.454 127 S N 1.273 116.912 115.700 -0.101 0.000 2.475 127 S HA 0.549 5.018 4.470 -0.000 0.000 0.298 127 S C 0.357 174.915 174.600 -0.069 0.000 1.119 127 S CA -0.843 57.311 58.200 -0.076 0.000 1.085 127 S CB 0.831 64.000 63.200 -0.051 0.000 1.028 127 S HN 0.572 nan 8.310 nan 0.000 0.489 128 V N 1.292 121.169 119.914 -0.062 0.000 3.319 128 V HA 0.509 4.629 4.120 -0.000 0.000 0.317 128 V C 0.204 176.281 176.094 -0.028 0.000 1.411 128 V CA -0.262 62.010 62.300 -0.047 0.000 1.112 128 V CB -0.791 31.002 31.823 -0.051 0.000 1.031 128 V HN 0.776 nan 8.190 nan 0.000 0.448 129 E N 1.545 121.730 120.200 -0.025 0.000 2.301 129 E HA 0.515 4.864 4.350 -0.000 0.000 0.275 129 E C -0.589 176.007 176.600 -0.006 0.000 1.030 129 E CA -0.190 56.201 56.400 -0.014 0.000 0.852 129 E CB 0.990 30.682 29.700 -0.014 0.000 1.060 129 E HN 0.567 nan 8.360 nan 0.000 0.401 130 Q N 2.334 122.134 119.800 0.000 0.000 2.304 130 Q HA 0.362 4.702 4.340 -0.000 0.000 0.270 130 Q C -1.118 174.892 176.000 0.016 0.000 1.035 130 Q CA -0.416 55.392 55.803 0.009 0.000 0.781 130 Q CB 2.524 31.267 28.738 0.008 0.000 1.261 130 Q HN 0.437 nan 8.270 nan 0.000 0.444 131 E N 2.772 122.987 120.200 0.026 0.000 2.291 131 E HA 0.303 4.653 4.350 -0.000 0.000 0.276 131 E C -1.290 175.340 176.600 0.051 0.000 0.896 131 E CA -0.641 55.780 56.400 0.034 0.000 0.774 131 E CB 2.179 31.896 29.700 0.029 0.000 1.227 131 E HN 0.637 nan 8.360 nan 0.000 0.413 132 I N 4.456 125.062 120.570 0.061 0.000 2.710 132 I HA -0.026 4.144 4.170 -0.000 0.000 0.286 132 I C -0.643 175.525 176.117 0.085 0.000 1.181 132 I CA -0.014 61.335 61.300 0.082 0.000 1.430 132 I CB 0.332 38.389 38.000 0.096 0.000 1.367 132 I HN 0.433 nan 8.210 nan 0.000 0.577 133 L N 9.126 130.415 121.223 0.109 0.000 2.264 133 L HA 0.394 4.734 4.340 -0.000 0.000 0.287 133 L C -0.766 176.165 176.870 0.103 0.000 1.039 133 L CA -0.216 54.692 54.840 0.113 0.000 0.829 133 L CB 1.131 43.273 42.059 0.139 0.000 1.211 133 L HN 0.338 nan 8.230 nan 0.000 0.427 134 V N 4.811 124.768 119.914 0.071 0.000 2.488 134 V HA 0.197 4.317 4.120 -0.000 0.000 0.277 134 V C 1.409 177.522 176.094 0.031 0.000 1.046 134 V CA 0.569 62.893 62.300 0.040 0.000 0.986 134 V CB 0.989 32.832 31.823 0.034 0.000 0.989 134 V HN 0.953 nan 8.190 nan 0.000 0.475 135 T N 0.194 114.742 114.554 -0.009 0.000 3.022 135 T HA 0.240 4.590 4.350 -0.000 0.000 0.250 135 T C 1.466 176.147 174.700 -0.032 0.000 1.060 135 T CA 0.683 62.777 62.100 -0.010 0.000 1.013 135 T CB 0.410 69.243 68.868 -0.059 0.000 0.982 135 T HN 1.427 nan 8.240 nan 0.000 0.508 136 G N 1.622 110.404 108.800 -0.030 0.000 2.184 136 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.264 136 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.264 136 G C 0.013 174.896 174.900 -0.029 0.000 0.975 136 G CA 0.269 45.352 45.100 -0.027 0.000 0.642 136 G HN 0.666 nan 8.290 nan 0.000 0.536 137 I N 0.711 121.258 120.570 -0.039 0.000 2.304 137 I HA 0.257 4.427 4.170 -0.000 0.000 0.291 137 I C 1.581 177.698 176.117 -0.000 0.000 1.018 137 I CA -0.738 60.568 61.300 0.010 0.000 1.260 137 I CB 1.341 39.357 38.000 0.027 0.000 1.390 137 I HN -0.019 nan 8.210 nan 0.000 0.475 138 K N 3.684 124.097 120.400 0.022 0.000 2.009 138 K HA -0.176 4.144 4.320 -0.000 0.000 0.210 138 K C 1.835 178.428 176.600 -0.012 0.000 1.049 138 K CA 1.382 57.679 56.287 0.018 0.000 0.929 138 K CB -0.090 32.416 32.500 0.009 0.000 0.714 138 K HN 0.566 nan 8.250 nan 0.000 0.440 139 V N 0.999 120.908 119.914 -0.007 0.000 2.407 139 V HA -0.198 3.921 4.120 -0.000 0.000 0.248 139 V C 2.037 178.095 176.094 -0.060 0.000 1.055 139 V CA 1.528 63.798 62.300 -0.049 0.000 1.049 139 V CB 0.014 31.836 31.823 -0.001 0.000 0.662 139 V HN 0.124 nan 8.190 nan 0.000 0.455 140 V N 0.367 120.240 119.914 -0.068 0.000 2.270 140 V HA -0.180 3.940 4.120 -0.000 0.000 0.245 140 V C 2.376 178.374 176.094 -0.160 0.000 1.043 140 V CA 2.432 64.628 62.300 -0.172 0.000 1.014 140 V CB -0.763 30.840 31.823 -0.366 0.000 0.645 140 V HN 0.567 nan 8.190 nan 0.000 0.447 141 D N -0.315 120.013 120.400 -0.120 0.000 2.178 141 D HA -0.131 4.509 4.640 -0.000 0.000 0.201 141 D C 1.864 178.207 176.300 0.072 0.000 0.980 141 D CA 1.117 55.092 54.000 -0.043 0.000 0.842 141 D CB -0.106 40.666 40.800 -0.047 0.000 0.948 141 D HN 0.347 nan 8.370 nan 0.000 0.472 142 L N -0.057 121.175 121.223 0.015 0.000 2.022 142 L HA -0.003 4.337 4.340 -0.000 0.000 0.204 142 L C 2.121 179.068 176.870 0.129 0.000 1.076 142 L CA 1.307 56.185 54.840 0.062 0.000 0.749 142 L CB -0.327 41.630 42.059 -0.170 0.000 0.903 142 L HN -0.058 nan 8.230 nan 0.000 0.439 143 L N -0.733 120.479 121.223 -0.019 0.000 2.168 143 L HA 0.199 4.539 4.340 -0.000 0.000 0.203 143 L C 0.999 177.867 176.870 -0.005 0.000 1.078 143 L CA 0.668 55.486 54.840 -0.038 0.000 0.780 143 L CB -0.340 41.672 42.059 -0.078 0.000 0.939 143 L HN 0.321 nan 8.230 nan 0.000 0.451 144 A N 0.265 123.091 122.820 0.010 0.000 3.355 144 A HA 0.420 4.740 4.320 -0.000 0.000 0.290 144 A C -2.553 175.061 177.584 0.050 0.000 0.973 144 A CA -1.005 51.062 52.037 0.050 0.000 0.933 144 A CB -0.285 18.770 19.000 0.092 0.000 1.138 144 A HN -0.103 nan 8.150 nan 0.000 0.490 145 P HA 0.077 nan 4.420 nan 0.000 0.268 145 P C -0.517 176.876 177.300 0.155 0.000 1.205 145 P CA 0.499 63.609 63.100 0.017 0.000 0.771 145 P CB 0.401 32.151 31.700 0.082 0.000 0.858 146 Y N 0.496 120.834 120.300 0.062 0.000 2.314 146 Y HA 0.401 4.951 4.550 0.000 0.000 0.334 146 Y C 1.142 177.065 175.900 0.037 0.000 1.266 146 Y CA -1.226 56.901 58.100 0.046 0.000 1.391 146 Y CB 0.833 39.317 38.460 0.040 0.000 1.306 146 Y HN 0.381 nan 8.280 nan 0.000 0.558 147 A N 2.508 125.442 122.820 0.190 0.000 2.342 147 A HA 0.389 4.709 4.320 -0.000 0.000 0.323 147 A C -0.894 176.728 177.584 0.063 0.000 1.125 147 A CA -1.106 50.992 52.037 0.102 0.000 0.785 147 A CB 0.696 19.736 19.000 0.067 0.000 1.221 147 A HN 0.751 nan 8.150 nan 0.000 0.463 148 K N 1.047 121.481 120.400 0.056 0.000 2.491 148 K HA 0.270 4.590 4.320 -0.000 0.000 0.279 148 K C 1.148 177.754 176.600 0.010 0.000 1.026 148 K CA 1.334 57.642 56.287 0.035 0.000 1.070 148 K CB 0.152 32.678 32.500 0.042 0.000 0.887 148 K HN 1.577 nan 8.250 nan 0.000 0.481 149 G N 2.167 110.959 108.800 -0.014 0.000 2.153 149 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.252 149 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.252 149 G C 0.406 175.280 174.900 -0.042 0.000 0.994 149 G CA 0.015 45.097 45.100 -0.031 0.000 0.698 149 G HN 0.855 nan 8.290 nan 0.000 0.521 150 G N -0.791 107.982 108.800 -0.046 0.000 2.488 150 G HA2 0.605 4.565 3.960 -0.000 0.000 0.318 150 G HA3 0.605 4.565 3.960 -0.000 0.000 0.318 150 G C -0.153 174.693 174.900 -0.090 0.000 1.188 150 G CA -0.811 44.261 45.100 -0.046 0.000 0.944 150 G HN 0.340 nan 8.290 nan 0.000 0.495 151 K N 0.291 120.646 120.400 -0.073 0.000 2.234 151 K HA 0.421 4.741 4.320 -0.000 0.000 0.277 151 K C -0.876 175.648 176.600 -0.126 0.000 1.038 151 K CA -0.141 56.085 56.287 -0.102 0.000 0.888 151 K CB 1.744 34.212 32.500 -0.054 0.000 1.091 151 K HN 0.248 nan 8.250 nan 0.000 0.467 152 I N 1.314 121.752 120.570 -0.221 0.000 2.433 152 I HA 0.343 4.513 4.170 -0.000 0.000 0.292 152 I C 0.201 176.171 176.117 -0.246 0.000 1.001 152 I CA -0.583 60.529 61.300 -0.314 0.000 1.119 152 I CB 2.224 39.828 38.000 -0.660 0.000 1.289 152 I HN 0.622 nan 8.210 nan 0.000 0.438 153 G N 6.574 115.274 108.800 -0.166 0.000 2.590 153 G HA2 0.712 4.672 3.960 -0.000 0.000 0.310 153 G HA3 0.712 4.672 3.960 -0.000 0.000 0.310 153 G C -1.049 173.742 174.900 -0.181 0.000 1.347 153 G CA -0.511 44.438 45.100 -0.252 0.000 0.963 153 G HN 0.450 nan 8.290 nan 0.000 0.494 154 L N 2.386 123.464 121.223 -0.241 0.000 2.313 154 L HA 0.419 4.758 4.340 -0.000 0.000 0.273 154 L C -0.805 175.987 176.870 -0.130 0.000 1.028 154 L CA -0.610 54.200 54.840 -0.050 0.000 0.871 154 L CB 0.678 42.758 42.059 0.035 0.000 1.242 154 L HN 0.333 nan 8.230 nan 0.000 0.434 155 F N 1.431 121.381 119.950 -0.001 0.000 2.410 155 F HA 0.694 5.221 4.527 -0.001 0.000 0.348 155 F C 1.042 176.829 175.800 -0.021 0.000 1.106 155 F CA -0.253 57.721 58.000 -0.042 0.000 1.163 155 F CB 1.757 40.719 39.000 -0.065 0.000 1.129 155 F HN 0.432 nan 8.300 nan 0.000 0.516 156 G N 1.297 110.152 108.800 0.093 0.000 2.716 156 G HA2 0.470 4.430 3.960 -0.000 0.000 0.299 156 G HA3 0.470 4.430 3.960 -0.000 0.000 0.299 156 G C -0.520 174.296 174.900 -0.139 0.000 1.450 156 G CA -0.433 44.678 45.100 0.017 0.000 0.968 156 G HN 0.928 nan 8.290 nan 0.000 0.566 157 G N -0.111 108.580 108.800 -0.181 0.000 2.647 157 G HA2 0.611 4.571 3.960 -0.000 0.000 0.271 157 G HA3 0.611 4.571 3.960 -0.000 0.000 0.271 157 G C 0.855 175.650 174.900 -0.174 0.000 1.300 157 G CA 0.421 45.324 45.100 -0.329 0.000 0.997 157 G HN 1.737 nan 8.290 nan 0.000 0.533 158 A N -1.301 121.471 122.820 -0.081 0.000 2.492 158 A HA 0.524 4.844 4.320 -0.000 0.000 0.254 158 A C 1.545 179.187 177.584 0.097 0.000 1.091 158 A CA 1.096 53.236 52.037 0.173 0.000 0.768 158 A CB -0.501 18.655 19.000 0.260 0.000 1.028 158 A HN 2.572 nan 8.150 nan 0.000 0.498 159 G N 0.785 109.649 108.800 0.108 0.000 2.148 159 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.254 159 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.254 159 G C 0.832 175.771 174.900 0.066 0.000 0.981 159 G CA 0.890 46.030 45.100 0.067 0.000 0.670 159 G HN 2.154 nan 8.290 nan 0.000 0.528 160 V N -3.077 116.883 119.914 0.077 0.000 3.235 160 V HA 0.624 4.744 4.120 -0.000 0.000 0.259 160 V C 1.694 177.878 176.094 0.150 0.000 1.133 160 V CA 1.578 63.937 62.300 0.098 0.000 1.128 160 V CB 0.313 32.166 31.823 0.050 0.000 0.757 160 V HN 2.120 nan 8.190 nan 0.000 0.469 161 G N 0.044 108.916 108.800 0.119 0.000 2.240 161 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.181 161 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.181 161 G C 0.516 175.501 174.900 0.142 0.000 1.028 161 G CA 0.144 45.321 45.100 0.128 0.000 0.760 161 G HN 0.403 nan 8.290 nan 0.000 0.508 162 K N -0.008 120.469 120.400 0.128 0.000 2.002 162 K HA -0.051 4.269 4.320 -0.000 0.000 0.209 162 K C 2.516 179.202 176.600 0.144 0.000 1.048 162 K CA 1.940 58.306 56.287 0.132 0.000 0.930 162 K CB -0.271 32.299 32.500 0.116 0.000 0.714 162 K HN 0.255 nan 8.250 nan 0.000 0.438 163 T N 1.251 115.886 114.554 0.136 0.000 2.777 163 T HA -0.097 4.253 4.350 -0.000 0.000 0.266 163 T C 2.071 176.854 174.700 0.138 0.000 1.040 163 T CA 1.010 63.196 62.100 0.142 0.000 1.141 163 T CB -0.221 68.725 68.868 0.131 0.000 0.868 163 T HN -0.064 nan 8.240 nan 0.000 0.444 164 V N 1.625 121.620 119.914 0.135 0.000 2.282 164 V HA -0.147 3.972 4.120 -0.000 0.000 0.249 164 V C 2.400 178.644 176.094 0.251 0.000 1.057 164 V CA 1.518 63.923 62.300 0.175 0.000 1.032 164 V CB -0.608 31.303 31.823 0.147 0.000 0.645 164 V HN 0.343 nan 8.190 nan 0.000 0.447 165 L N -0.436 120.954 121.223 0.279 0.000 2.093 165 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 165 L C 2.079 179.061 176.870 0.187 0.000 1.085 165 L CA 1.739 56.771 54.840 0.320 0.000 0.755 165 L CB -0.541 41.712 42.059 0.324 0.000 0.904 165 L HN 0.260 nan 8.230 nan 0.000 0.435 166 I N -1.286 119.384 120.570 0.167 0.000 2.394 166 I HA -0.267 3.902 4.170 -0.000 0.000 0.251 166 I C 2.002 178.141 176.117 0.038 0.000 1.136 166 I CA 0.836 62.224 61.300 0.146 0.000 1.425 166 I CB 0.067 38.180 38.000 0.188 0.000 1.079 166 I HN 0.284 nan 8.210 nan 0.000 0.425 167 M N -0.393 119.229 119.600 0.036 0.000 2.200 167 M HA -0.160 4.320 4.480 -0.000 0.000 0.265 167 M C 2.118 178.376 176.300 -0.069 0.000 1.066 167 M CA 1.423 56.700 55.300 -0.038 0.000 1.127 167 M CB -1.316 31.286 32.600 0.003 0.000 1.379 167 M HN 0.142 nan 8.290 nan 0.000 0.420 168 E N 0.794 120.956 120.200 -0.063 0.000 2.106 168 E HA -0.077 4.273 4.350 -0.000 0.000 0.192 168 E C 2.031 178.532 176.600 -0.165 0.000 0.984 168 E CA 0.992 57.270 56.400 -0.203 0.000 0.806 168 E CB -0.247 29.115 29.700 -0.564 0.000 0.750 168 E HN 0.472 nan 8.360 nan 0.000 0.458 169 L N -0.008 121.178 121.223 -0.062 0.000 2.093 169 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 169 L C 2.376 179.264 176.870 0.030 0.000 1.085 169 L CA 0.934 55.804 54.840 0.050 0.000 0.755 169 L CB -0.356 41.829 42.059 0.210 0.000 0.904 169 L HN 0.215 nan 8.230 nan 0.000 0.435 170 I N -0.133 120.352 120.570 -0.142 0.000 2.226 170 I HA -0.310 3.860 4.170 -0.000 0.000 0.245 170 I C 2.270 178.324 176.117 -0.105 0.000 1.100 170 I CA 1.535 62.673 61.300 -0.270 0.000 1.374 170 I CB -0.374 37.332 38.000 -0.490 0.000 1.057 170 I HN 0.337 nan 8.210 nan 0.000 0.413 171 N N 1.128 119.771 118.700 -0.096 0.000 2.043 171 N HA -0.203 4.536 4.740 -0.000 0.000 0.193 171 N C 1.571 177.059 175.510 -0.038 0.000 1.037 171 N CA 1.782 54.793 53.050 -0.065 0.000 0.851 171 N CB -0.004 38.437 38.487 -0.077 0.000 1.027 171 N HN 0.181 nan 8.380 nan 0.000 0.422 172 N N -1.016 117.657 118.700 -0.046 0.000 2.409 172 N HA -0.012 4.728 4.740 -0.000 0.000 0.179 172 N C 1.070 176.595 175.510 0.025 0.000 1.032 172 N CA 0.582 53.616 53.050 -0.025 0.000 0.898 172 N CB 0.261 38.711 38.487 -0.061 0.000 0.971 172 N HN 0.159 nan 8.380 nan 0.000 0.441 173 V N -0.541 119.409 119.914 0.060 0.000 2.996 173 V HA 0.278 4.398 4.120 -0.000 0.000 0.235 173 V C 2.014 178.176 176.094 0.114 0.000 1.205 173 V CA 0.908 63.268 62.300 0.100 0.000 1.225 173 V CB -0.461 31.447 31.823 0.142 0.000 0.995 173 V HN 0.158 nan 8.190 nan 0.000 0.484 174 A N 0.144 123.038 122.820 0.124 0.000 1.873 174 A HA -0.176 4.144 4.320 -0.000 0.000 0.215 174 A C 2.163 179.817 177.584 0.117 0.000 1.186 174 A CA 1.982 54.098 52.037 0.132 0.000 0.616 174 A CB -0.486 18.592 19.000 0.130 0.000 0.823 174 A HN 0.435 nan 8.150 nan 0.000 0.442 175 K N -0.503 119.935 120.400 0.064 0.000 2.066 175 K HA -0.234 4.086 4.320 -0.000 0.000 0.221 175 K C 1.088 177.725 176.600 0.060 0.000 1.056 175 K CA 1.668 57.982 56.287 0.045 0.000 0.950 175 K CB -0.361 32.151 32.500 0.019 0.000 0.726 175 K HN 0.441 nan 8.250 nan 0.000 0.456 176 A N 1.444 124.306 122.820 0.070 0.000 3.245 176 A HA 0.090 4.410 4.320 -0.000 0.000 0.282 176 A C -0.886 176.765 177.584 0.112 0.000 1.417 176 A CA -0.327 51.748 52.037 0.063 0.000 1.149 176 A CB -0.259 18.766 19.000 0.041 0.000 1.155 176 A HN 0.341 nan 8.150 nan 0.000 0.602 177 H N 0.219 119.291 119.070 0.003 0.000 2.609 177 H HA 0.384 4.940 4.556 -0.000 0.000 0.344 177 H C 0.618 175.920 175.328 -0.043 0.000 1.040 177 H CA 0.113 56.157 56.048 -0.008 0.000 1.216 177 H CB 1.824 31.597 29.762 0.017 0.000 1.529 177 H HN 0.333 nan 8.280 nan 0.000 0.519 178 G N 2.943 111.442 108.800 -0.502 0.000 3.262 178 G HA2 0.212 4.172 3.960 -0.000 0.000 0.228 178 G HA3 0.212 4.172 3.960 -0.000 0.000 0.228 178 G C 0.563 175.165 174.900 -0.498 0.000 1.197 178 G CA 0.413 45.280 45.100 -0.389 0.000 0.819 178 G HN 0.644 nan 8.290 nan 0.000 0.531 179 G N -0.981 107.424 108.800 -0.657 0.000 3.262 179 G HA2 0.590 4.550 3.960 -0.000 0.000 0.229 179 G HA3 0.590 4.550 3.960 -0.000 0.000 0.229 179 G C -1.219 173.526 174.900 -0.258 0.000 1.280 179 G CA -1.061 43.770 45.100 -0.449 0.000 0.951 179 G HN 0.124 nan 8.290 nan 0.000 0.589 180 Y N -0.623 119.677 120.300 0.001 0.000 2.488 180 Y HA 0.639 5.189 4.550 -0.000 0.000 0.325 180 Y C 0.637 176.496 175.900 -0.068 0.000 1.204 180 Y CA -0.525 57.481 58.100 -0.157 0.000 1.229 180 Y CB 2.328 40.416 38.460 -0.621 0.000 1.274 180 Y HN 0.353 nan 8.280 nan 0.000 0.493 181 S N 0.550 116.321 115.700 0.119 0.000 2.599 181 S HA 0.734 5.204 4.470 -0.000 0.000 0.287 181 S C -1.416 173.263 174.600 0.132 0.000 1.105 181 S CA -0.794 57.484 58.200 0.130 0.000 0.899 181 S CB 2.042 65.388 63.200 0.244 0.000 1.100 181 S HN 0.310 nan 8.310 nan 0.000 0.482 182 V N 2.424 122.440 119.914 0.170 0.000 2.577 182 V HA 0.512 4.632 4.120 -0.000 0.000 0.303 182 V C -1.375 174.867 176.094 0.246 0.000 1.042 182 V CA -0.636 61.773 62.300 0.182 0.000 0.872 182 V CB 1.435 33.336 31.823 0.130 0.000 0.998 182 V HN 0.856 nan 8.190 nan 0.000 0.423 183 F N 3.931 123.949 119.950 0.113 0.000 2.426 183 F HA 0.794 5.320 4.527 -0.000 0.000 0.348 183 F C 0.294 176.023 175.800 -0.118 0.000 1.124 183 F CA -0.474 57.566 58.000 0.067 0.000 1.008 183 F CB 1.287 40.331 39.000 0.074 0.000 1.139 183 F HN 0.578 nan 8.300 nan 0.000 0.452 184 A N 4.779 127.307 122.820 -0.487 0.000 2.267 184 A HA 0.623 4.943 4.320 -0.000 0.000 0.315 184 A C 0.027 177.248 177.584 -0.606 0.000 1.297 184 A CA -0.375 51.402 52.037 -0.432 0.000 0.865 184 A CB 0.221 19.038 19.000 -0.306 0.000 1.165 184 A HN 0.991 nan 8.150 nan 0.000 0.513 185 G N 1.110 109.518 108.800 -0.653 0.000 2.349 185 G HA2 0.498 4.458 3.960 -0.000 0.000 0.281 185 G HA3 0.498 4.458 3.960 -0.000 0.000 0.281 185 G C -0.620 174.175 174.900 -0.175 0.000 1.182 185 G CA -0.110 44.770 45.100 -0.368 0.000 0.899 185 G HN 0.767 nan 8.290 nan 0.000 0.455 186 V N 2.570 122.436 119.914 -0.080 0.000 2.409 186 V HA 0.588 4.708 4.120 -0.000 0.000 0.290 186 V C 1.019 177.126 176.094 0.022 0.000 1.017 186 V CA 0.234 62.516 62.300 -0.030 0.000 0.841 186 V CB 0.972 32.765 31.823 -0.049 0.000 1.003 186 V HN 1.447 nan 8.190 nan 0.000 0.426 187 G N 3.354 112.176 108.800 0.037 0.000 2.258 187 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.274 187 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.274 187 G C 0.223 175.153 174.900 0.050 0.000 1.021 187 G CA 0.668 45.789 45.100 0.035 0.000 0.798 187 G HN 0.586 nan 8.290 nan 0.000 0.507 188 E N -0.633 119.619 120.200 0.088 0.000 3.029 188 E HA 0.496 4.846 4.350 -0.000 0.000 0.249 188 E C 0.998 177.663 176.600 0.109 0.000 1.089 188 E CA -0.933 55.528 56.400 0.103 0.000 1.089 188 E CB 0.407 30.194 29.700 0.145 0.000 1.428 188 E HN 0.393 nan 8.360 nan 0.000 0.555 189 R N 0.144 120.711 120.500 0.111 0.000 2.340 189 R HA 0.207 4.547 4.340 -0.000 0.000 0.300 189 R C 1.157 177.510 176.300 0.088 0.000 1.069 189 R CA 0.069 56.220 56.100 0.084 0.000 0.984 189 R CB 0.369 30.711 30.300 0.069 0.000 1.003 189 R HN 0.390 nan 8.270 nan 0.000 0.459 190 T N 2.891 117.476 114.554 0.052 0.000 2.788 190 T HA -0.181 4.169 4.350 -0.000 0.000 0.268 190 T C 1.685 176.364 174.700 -0.035 0.000 1.044 190 T CA 1.752 63.854 62.100 0.004 0.000 1.139 190 T CB -0.093 68.768 68.868 -0.011 0.000 0.867 190 T HN 0.587 nan 8.240 nan 0.000 0.454 191 R N 1.950 122.449 120.500 -0.003 0.000 2.148 191 R HA 0.039 4.379 4.340 -0.000 0.000 0.227 191 R C 1.881 178.180 176.300 -0.003 0.000 1.103 191 R CA 1.432 57.530 56.100 -0.003 0.000 0.983 191 R CB -0.628 29.684 30.300 0.019 0.000 0.874 191 R HN 0.387 nan 8.270 nan 0.000 0.451 192 E N 0.411 120.624 120.200 0.022 0.000 2.077 192 E HA -0.086 4.264 4.350 -0.000 0.000 0.193 192 E C 2.102 178.690 176.600 -0.020 0.000 0.989 192 E CA 1.187 57.607 56.400 0.033 0.000 0.800 192 E CB -0.283 29.472 29.700 0.093 0.000 0.746 192 E HN 0.651 nan 8.360 nan 0.000 0.452 193 G N 1.165 109.925 108.800 -0.066 0.000 2.418 193 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.217 193 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.217 193 G C 1.397 176.088 174.900 -0.349 0.000 1.158 193 G CA 1.096 45.974 45.100 -0.371 0.000 0.771 193 G HN 0.217 nan 8.290 nan 0.000 0.545 194 N N 0.501 119.058 118.700 -0.239 0.000 2.120 194 N HA -0.108 4.632 4.740 -0.000 0.000 0.188 194 N C 1.716 177.165 175.510 -0.102 0.000 1.024 194 N CA 1.614 54.552 53.050 -0.186 0.000 0.852 194 N CB -0.091 38.356 38.487 -0.068 0.000 1.003 194 N HN 0.142 nan 8.380 nan 0.000 0.424 195 D N 0.401 120.779 120.400 -0.037 0.000 2.084 195 D HA -0.171 4.469 4.640 -0.000 0.000 0.194 195 D C 1.997 178.275 176.300 -0.038 0.000 0.990 195 D CA 0.734 54.736 54.000 0.003 0.000 0.826 195 D CB -0.527 40.277 40.800 0.007 0.000 0.971 195 D HN 0.312 nan 8.370 nan 0.000 0.453 196 L N -0.267 120.899 121.223 -0.095 0.000 2.012 196 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 196 L C 2.475 179.293 176.870 -0.086 0.000 1.073 196 L CA 1.366 56.121 54.840 -0.142 0.000 0.748 196 L CB -0.304 41.589 42.059 -0.276 0.000 0.891 196 L HN 0.013 nan 8.230 nan 0.000 0.431 197 Y N 0.072 120.221 120.300 -0.253 0.000 2.114 197 Y HA -0.313 4.237 4.550 0.000 0.000 0.284 197 Y C 2.452 178.243 175.900 -0.181 0.000 1.143 197 Y CA 2.261 60.206 58.100 -0.258 0.000 1.135 197 Y CB -0.595 37.620 38.460 -0.407 0.000 0.980 197 Y HN 0.353 nan 8.280 nan 0.000 0.499 198 H N -1.021 117.972 119.070 -0.129 0.000 2.462 198 H HA -0.081 4.475 4.556 -0.000 0.000 0.292 198 H C 2.199 177.432 175.328 -0.160 0.000 1.049 198 H CA 0.887 56.811 56.048 -0.207 0.000 1.334 198 H CB 0.148 29.852 29.762 -0.097 0.000 1.404 198 H HN 0.376 nan 8.280 nan 0.000 0.544 199 E N 0.729 120.925 120.200 -0.007 0.000 2.072 199 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 199 E C 1.963 178.525 176.600 -0.063 0.000 0.985 199 E CA 0.817 57.196 56.400 -0.034 0.000 0.801 199 E CB 0.078 29.754 29.700 -0.040 0.000 0.750 199 E HN 0.519 nan 8.360 nan 0.000 0.452 200 M N 0.035 119.582 119.600 -0.088 0.000 2.229 200 M HA -0.111 4.369 4.480 -0.000 0.000 0.264 200 M C 2.217 178.456 176.300 -0.100 0.000 1.063 200 M CA 0.965 56.215 55.300 -0.082 0.000 1.114 200 M CB -0.121 32.441 32.600 -0.063 0.000 1.387 200 M HN 0.103 nan 8.290 nan 0.000 0.420 201 I N -0.440 120.032 120.570 -0.164 0.000 2.353 201 I HA -0.217 3.953 4.170 -0.000 0.000 0.248 201 I C 2.570 178.633 176.117 -0.091 0.000 1.119 201 I CA 0.907 62.112 61.300 -0.157 0.000 1.417 201 I CB -0.392 37.464 38.000 -0.239 0.000 1.078 201 I HN 0.251 nan 8.210 nan 0.000 0.421 202 E N 0.885 121.041 120.200 -0.074 0.000 2.110 202 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 202 E C 2.360 178.934 176.600 -0.043 0.000 0.988 202 E CA 1.862 58.230 56.400 -0.053 0.000 0.804 202 E CB 0.013 29.687 29.700 -0.045 0.000 0.745 202 E HN 0.527 nan 8.360 nan 0.000 0.458 203 S N -1.654 114.020 115.700 -0.042 0.000 2.425 203 S HA 0.093 4.563 4.470 -0.000 0.000 0.225 203 S C 1.669 176.254 174.600 -0.025 0.000 1.024 203 S CA 1.037 59.218 58.200 -0.031 0.000 0.951 203 S CB 0.407 63.589 63.200 -0.030 0.000 0.796 203 S HN 0.320 nan 8.310 nan 0.000 0.498 204 G N 0.569 109.352 108.800 -0.030 0.000 2.179 204 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.220 204 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.220 204 G C 0.863 175.760 174.900 -0.004 0.000 0.990 204 G CA 0.498 45.586 45.100 -0.019 0.000 0.646 204 G HN 1.371 nan 8.290 nan 0.000 0.517 205 V N -1.416 118.496 119.914 -0.002 0.000 2.626 205 V HA 0.373 4.493 4.120 -0.000 0.000 0.252 205 V C 1.306 177.416 176.094 0.027 0.000 1.067 205 V CA 1.486 63.798 62.300 0.021 0.000 1.081 205 V CB -0.193 31.645 31.823 0.026 0.000 0.686 205 V HN 0.462 nan 8.190 nan 0.000 0.468 206 I N 2.103 122.674 120.570 0.002 0.000 2.378 206 I HA 0.449 4.619 4.170 -0.000 0.000 0.291 206 I C -0.478 175.628 176.117 -0.019 0.000 0.992 206 I CA -0.204 61.098 61.300 0.002 0.000 1.154 206 I CB 1.444 39.437 38.000 -0.013 0.000 1.315 206 I HN 0.188 nan 8.210 nan 0.000 0.448 207 N N 6.822 125.525 118.700 0.004 0.000 2.399 207 N HA 0.348 5.088 4.740 -0.000 0.000 0.280 207 N C 0.116 175.631 175.510 0.009 0.000 1.008 207 N CA -0.421 52.629 53.050 -0.000 0.000 0.894 207 N CB 2.091 40.585 38.487 0.011 0.000 1.273 207 N HN 0.588 nan 8.380 nan 0.000 0.486 208 L N 2.521 123.743 121.223 -0.001 0.000 2.554 208 L HA 0.085 4.425 4.340 -0.000 0.000 0.226 208 L C 1.369 178.250 176.870 0.018 0.000 1.137 208 L CA 0.722 55.570 54.840 0.014 0.000 0.863 208 L CB 0.189 42.252 42.059 0.007 0.000 0.985 208 L HN 0.400 nan 8.230 nan 0.000 0.451 209 K N -1.236 119.172 120.400 0.013 0.000 2.380 209 K HA 0.121 4.441 4.320 -0.000 0.000 0.200 209 K C 0.318 176.928 176.600 0.017 0.000 1.201 209 K CA -0.050 56.245 56.287 0.013 0.000 0.916 209 K CB 0.488 32.992 32.500 0.008 0.000 1.187 209 K HN -0.000 nan 8.250 nan 0.000 0.498 210 D N -0.049 120.362 120.400 0.017 0.000 2.393 210 D HA 0.147 4.787 4.640 -0.000 0.000 0.246 210 D C 0.055 176.372 176.300 0.029 0.000 1.275 210 D CA 0.179 54.192 54.000 0.022 0.000 0.979 210 D CB 0.660 41.473 40.800 0.022 0.000 1.101 210 D HN 0.178 nan 8.370 nan 0.000 0.505 211 A N -0.377 122.464 122.820 0.034 0.000 2.708 211 A HA 0.180 4.499 4.320 -0.000 0.000 0.293 211 A C 1.011 178.630 177.584 0.059 0.000 1.303 211 A CA -0.187 51.877 52.037 0.044 0.000 0.949 211 A CB -0.612 18.414 19.000 0.044 0.000 1.121 211 A HN 0.461 nan 8.150 nan 0.000 0.542 212 T N -2.644 111.941 114.554 0.052 0.000 3.144 212 T HA 0.151 4.501 4.350 -0.000 0.000 0.249 212 T C 0.612 175.354 174.700 0.072 0.000 1.089 212 T CA 0.187 62.324 62.100 0.061 0.000 0.989 212 T CB -0.369 68.523 68.868 0.040 0.000 0.992 212 T HN 0.168 nan 8.240 nan 0.000 0.540 213 S N 2.271 118.013 115.700 0.069 0.000 2.537 213 S HA 0.194 4.663 4.470 -0.000 0.000 0.286 213 S C 1.008 175.675 174.600 0.111 0.000 1.299 213 S CA -0.540 57.704 58.200 0.073 0.000 1.067 213 S CB 0.764 64.002 63.200 0.063 0.000 0.864 213 S HN 0.294 nan 8.310 nan 0.000 0.494 214 K N 1.227 121.699 120.400 0.120 0.000 2.355 214 K HA 0.205 4.525 4.320 -0.000 0.000 0.198 214 K C -0.272 176.417 176.600 0.149 0.000 1.039 214 K CA 0.293 56.693 56.287 0.188 0.000 1.075 214 K CB 0.588 33.175 32.500 0.144 0.000 0.870 214 K HN 0.407 nan 8.250 nan 0.000 0.540 215 V N 1.326 121.303 119.914 0.105 0.000 2.540 215 V HA 0.524 4.644 4.120 -0.000 0.000 0.302 215 V C -0.350 175.810 176.094 0.111 0.000 1.035 215 V CA -1.368 61.001 62.300 0.114 0.000 0.873 215 V CB 1.585 33.491 31.823 0.138 0.000 0.992 215 V HN 0.086 nan 8.190 nan 0.000 0.428 216 A N 5.748 128.641 122.820 0.121 0.000 2.301 216 A HA 0.886 5.206 4.320 -0.000 0.000 0.312 216 A C -0.715 176.980 177.584 0.185 0.000 1.182 216 A CA -0.493 51.634 52.037 0.150 0.000 0.826 216 A CB 0.602 19.716 19.000 0.190 0.000 1.134 216 A HN 0.821 nan 8.150 nan 0.000 0.501 217 L N 2.687 124.022 121.223 0.188 0.000 2.341 217 L HA 0.634 4.974 4.340 -0.000 0.000 0.278 217 L C -0.966 176.027 176.870 0.206 0.000 1.005 217 L CA -0.885 54.110 54.840 0.258 0.000 0.818 217 L CB 1.855 44.125 42.059 0.352 0.000 1.259 217 L HN 0.409 nan 8.230 nan 0.000 0.418 218 V N 2.958 122.945 119.914 0.122 0.000 2.531 218 V HA 0.475 4.595 4.120 -0.000 0.000 0.301 218 V C -1.296 174.734 176.094 -0.106 0.000 1.034 218 V CA -0.644 61.683 62.300 0.045 0.000 0.865 218 V CB 1.862 33.674 31.823 -0.019 0.000 0.995 218 V HN 0.454 nan 8.190 nan 0.000 0.424 219 Y N 1.608 121.929 120.300 0.036 0.000 2.421 219 Y HA 0.736 5.285 4.550 -0.000 0.000 0.339 219 Y C 0.513 176.424 175.900 0.018 0.000 0.996 219 Y CA -0.616 57.507 58.100 0.039 0.000 1.046 219 Y CB 2.825 41.297 38.460 0.019 0.000 1.226 219 Y HN 0.716 nan 8.280 nan 0.000 0.445 220 G N 3.831 112.712 108.800 0.135 0.000 3.582 220 G HA2 0.283 4.243 3.960 -0.000 0.000 0.302 220 G HA3 0.283 4.243 3.960 -0.000 0.000 0.302 220 G C -0.901 174.050 174.900 0.085 0.000 1.418 220 G CA -0.527 44.625 45.100 0.087 0.000 0.718 220 G HN 0.324 nan 8.290 nan 0.000 0.479 221 Q N 0.791 120.661 119.800 0.117 0.000 2.179 221 Q HA 0.287 4.626 4.340 -0.000 0.000 0.174 221 Q C 1.951 177.987 176.000 0.060 0.000 1.044 221 Q CA -0.677 55.193 55.803 0.111 0.000 1.105 221 Q CB 0.587 29.414 28.738 0.149 0.000 1.213 221 Q HN 0.690 nan 8.270 nan 0.000 0.574 222 M N -0.972 118.658 119.600 0.051 0.000 2.691 222 M HA 0.055 4.535 4.480 -0.000 0.000 0.227 222 M C 0.564 176.876 176.300 0.019 0.000 1.120 222 M CA 1.073 56.389 55.300 0.025 0.000 1.034 222 M CB -0.710 31.900 32.600 0.017 0.000 1.675 222 M HN 0.514 nan 8.290 nan 0.000 0.514 223 N N -0.592 118.123 118.700 0.025 0.000 2.373 223 N HA 0.059 4.799 4.740 -0.000 0.000 0.181 223 N C -0.225 175.294 175.510 0.014 0.000 1.082 223 N CA -0.279 52.781 53.050 0.017 0.000 0.885 223 N CB 0.182 38.678 38.487 0.016 0.000 0.977 223 N HN 0.282 nan 8.380 nan 0.000 0.462 224 E N 2.146 122.356 120.200 0.018 0.000 2.343 224 E HA 0.233 4.583 4.350 -0.000 0.000 0.269 224 E C -2.141 174.462 176.600 0.004 0.000 1.047 224 E CA -2.090 54.318 56.400 0.014 0.000 0.874 224 E CB 0.713 30.426 29.700 0.021 0.000 1.033 224 E HN 0.232 nan 8.360 nan 0.000 0.409 225 P HA 0.052 nan 4.420 nan 0.000 0.272 225 P C -1.966 175.327 177.300 -0.012 0.000 1.240 225 P CA -1.095 62.002 63.100 -0.006 0.000 0.791 225 P CB 0.176 31.875 31.700 -0.003 0.000 0.978 226 P HA -0.188 nan 4.420 nan 0.000 0.215 226 P C 1.708 178.986 177.300 -0.037 0.000 1.153 226 P CA 1.994 65.070 63.100 -0.041 0.000 0.853 226 P CB -0.756 30.914 31.700 -0.050 0.000 0.788 227 G N 0.419 109.206 108.800 -0.021 0.000 2.469 227 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.220 227 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.220 227 G C 1.798 176.701 174.900 0.004 0.000 1.136 227 G CA 1.282 46.377 45.100 -0.007 0.000 0.759 227 G HN 0.402 nan 8.290 nan 0.000 0.562 228 A N 0.589 123.412 122.820 0.005 0.000 1.872 228 A HA 0.093 4.413 4.320 -0.000 0.000 0.214 228 A C 2.431 180.024 177.584 0.014 0.000 1.187 228 A CA 1.471 53.516 52.037 0.014 0.000 0.614 228 A CB -0.358 18.651 19.000 0.016 0.000 0.826 228 A HN 0.326 nan 8.150 nan 0.000 0.442 229 R N -0.457 120.045 120.500 0.003 0.000 2.120 229 R HA -0.052 4.288 4.340 -0.000 0.000 0.234 229 R C 2.209 178.518 176.300 0.016 0.000 1.123 229 R CA 1.053 57.154 56.100 0.003 0.000 0.975 229 R CB -0.358 29.931 30.300 -0.019 0.000 0.866 229 R HN 0.505 nan 8.270 nan 0.000 0.446 230 A N 0.467 123.278 122.820 -0.015 0.000 2.119 230 A HA -0.040 4.279 4.320 -0.000 0.000 0.217 230 A C 1.733 179.390 177.584 0.122 0.000 1.153 230 A CA 0.881 52.896 52.037 -0.037 0.000 0.692 230 A CB 0.080 19.005 19.000 -0.126 0.000 0.799 230 A HN 0.091 nan 8.150 nan 0.000 0.458 231 R N -1.007 119.543 120.500 0.083 0.000 2.369 231 R HA 0.069 4.409 4.340 -0.000 0.000 0.210 231 R C 1.848 178.159 176.300 0.017 0.000 0.881 231 R CA 1.177 57.316 56.100 0.064 0.000 1.031 231 R CB -0.593 29.728 30.300 0.035 0.000 1.184 231 R HN 0.458 nan 8.270 nan 0.000 0.581 232 V N 0.060 119.984 119.914 0.017 0.000 2.453 232 V HA -0.204 3.916 4.120 -0.000 0.000 0.252 232 V C 2.468 178.529 176.094 -0.055 0.000 1.068 232 V CA 1.981 64.271 62.300 -0.016 0.000 1.070 232 V CB -1.316 30.498 31.823 -0.014 0.000 0.664 232 V HN 0.156 nan 8.190 nan 0.000 0.461 233 A N 1.084 123.874 122.820 -0.050 0.000 1.883 233 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 233 A C 2.265 179.755 177.584 -0.157 0.000 1.186 233 A CA 2.222 54.178 52.037 -0.134 0.000 0.624 233 A CB -0.635 18.243 19.000 -0.203 0.000 0.822 233 A HN 0.561 nan 8.150 nan 0.000 0.444 234 L N -0.728 120.412 121.223 -0.138 0.000 2.046 234 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 234 L C 2.769 179.558 176.870 -0.135 0.000 1.077 234 L CA 1.838 56.580 54.840 -0.164 0.000 0.747 234 L CB -1.427 40.504 42.059 -0.214 0.000 0.896 234 L HN 0.366 nan 8.230 nan 0.000 0.432 235 T N 0.077 114.568 114.554 -0.105 0.000 2.674 235 T HA -0.139 4.211 4.350 -0.000 0.000 0.265 235 T C 1.898 176.556 174.700 -0.069 0.000 1.039 235 T CA 1.515 63.570 62.100 -0.075 0.000 1.150 235 T CB -0.674 68.165 68.868 -0.048 0.000 0.864 235 T HN 0.549 nan 8.240 nan 0.000 0.427 236 G N 1.352 110.105 108.800 -0.078 0.000 2.422 236 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.218 236 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.218 236 G C 1.541 176.401 174.900 -0.067 0.000 1.146 236 G CA 0.746 45.802 45.100 -0.073 0.000 0.769 236 G HN 0.511 nan 8.290 nan 0.000 0.547 237 L N 0.364 121.529 121.223 -0.097 0.000 2.093 237 L HA -0.034 4.305 4.340 -0.000 0.000 0.208 237 L C 2.760 179.595 176.870 -0.058 0.000 1.085 237 L CA 1.990 56.773 54.840 -0.095 0.000 0.755 237 L CB -0.571 41.404 42.059 -0.140 0.000 0.904 237 L HN 0.184 nan 8.230 nan 0.000 0.435 238 T N -0.099 114.417 114.554 -0.064 0.000 2.746 238 T HA -0.166 4.183 4.350 -0.000 0.000 0.267 238 T C 1.983 176.661 174.700 -0.036 0.000 1.039 238 T CA 1.611 63.682 62.100 -0.049 0.000 1.142 238 T CB -0.376 68.456 68.868 -0.060 0.000 0.866 238 T HN 0.237 nan 8.240 nan 0.000 0.444 239 V N 1.816 121.707 119.914 -0.038 0.000 2.324 239 V HA -0.230 3.890 4.120 -0.000 0.000 0.250 239 V C 2.885 179.026 176.094 0.078 0.000 1.060 239 V CA 1.844 64.123 62.300 -0.036 0.000 1.042 239 V CB -1.227 30.614 31.823 0.029 0.000 0.650 239 V HN 0.554 nan 8.190 nan 0.000 0.450 240 A N -0.689 122.209 122.820 0.130 0.000 1.930 240 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 240 A C 2.180 179.856 177.584 0.153 0.000 1.175 240 A CA 1.780 53.939 52.037 0.203 0.000 0.627 240 A CB -0.457 18.589 19.000 0.077 0.000 0.815 240 A HN 0.620 nan 8.150 nan 0.000 0.443 241 E N -1.510 118.725 120.200 0.058 0.000 2.058 241 E HA -0.236 4.114 4.350 -0.000 0.000 0.194 241 E C 1.832 178.443 176.600 0.019 0.000 0.997 241 E CA 1.528 57.944 56.400 0.027 0.000 0.801 241 E CB -0.367 29.332 29.700 -0.001 0.000 0.746 241 E HN 0.785 nan 8.360 nan 0.000 0.450 242 Y N 0.571 120.788 120.300 -0.138 0.000 2.081 242 Y HA -0.319 4.231 4.550 -0.000 0.000 0.280 242 Y C 1.890 177.694 175.900 -0.160 0.000 1.163 242 Y CA 1.919 59.882 58.100 -0.229 0.000 1.135 242 Y CB -0.512 37.682 38.460 -0.443 0.000 0.970 242 Y HN -0.010 nan 8.280 nan 0.000 0.498 243 F N 0.012 120.032 119.950 0.117 0.000 2.171 243 F HA -0.187 4.339 4.527 -0.000 0.000 0.300 243 F C 2.809 178.605 175.800 -0.007 0.000 1.090 243 F CA 1.521 59.567 58.000 0.077 0.000 1.293 243 F CB -0.439 38.682 39.000 0.202 0.000 1.013 243 F HN -0.030 nan 8.300 nan 0.000 0.486 244 R N 0.565 121.166 120.500 0.167 0.000 2.083 244 R HA -0.174 4.166 4.340 -0.000 0.000 0.237 244 R C 1.372 177.668 176.300 -0.008 0.000 1.137 244 R CA 2.240 58.382 56.100 0.071 0.000 0.951 244 R CB -0.259 30.066 30.300 0.041 0.000 0.851 244 R HN 0.217 nan 8.270 nan 0.000 0.434 245 D N -0.470 119.883 120.400 -0.079 0.000 2.338 245 D HA -0.036 4.604 4.640 -0.000 0.000 0.224 245 D C 1.277 177.473 176.300 -0.174 0.000 0.967 245 D CA 0.572 54.507 54.000 -0.107 0.000 0.896 245 D CB -0.016 40.728 40.800 -0.093 0.000 1.028 245 D HN 0.176 nan 8.370 nan 0.000 0.493 246 Q N 0.427 120.010 119.800 -0.362 0.000 2.282 246 Q HA 0.141 4.480 4.340 -0.000 0.000 0.205 246 Q C 0.342 176.139 176.000 -0.338 0.000 0.915 246 Q CA 0.349 55.881 55.803 -0.453 0.000 0.949 246 Q CB 1.030 29.242 28.738 -0.877 0.000 1.035 246 Q HN 0.378 nan 8.270 nan 0.000 0.484 247 E N -1.157 118.943 120.200 -0.167 0.000 2.671 247 E HA 0.166 4.516 4.350 -0.000 0.000 0.204 247 E C 0.368 176.976 176.600 0.014 0.000 0.940 247 E CA 0.365 56.761 56.400 -0.007 0.000 1.328 247 E CB 0.697 30.491 29.700 0.158 0.000 1.214 247 E HN 0.324 nan 8.360 nan 0.000 0.624 248 G N 2.124 110.914 108.800 -0.017 0.000 2.379 248 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.297 248 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.297 248 G C 0.147 175.052 174.900 0.009 0.000 1.004 248 G CA 1.143 46.238 45.100 -0.009 0.000 0.921 248 G HN 0.143 nan 8.290 nan 0.000 0.511 249 Q N -0.503 119.322 119.800 0.040 0.000 2.252 249 Q HA 0.563 4.903 4.340 -0.000 0.000 0.256 249 Q C -0.459 175.568 176.000 0.045 0.000 1.020 249 Q CA -0.912 54.914 55.803 0.038 0.000 0.913 249 Q CB 0.904 29.687 28.738 0.075 0.000 1.286 249 Q HN 0.190 nan 8.270 nan 0.000 0.480 250 D N 0.309 120.725 120.400 0.027 0.000 2.316 250 D HA 0.313 4.952 4.640 -0.000 0.000 0.245 250 D C -1.011 175.402 176.300 0.187 0.000 1.171 250 D CA 0.062 54.118 54.000 0.093 0.000 0.856 250 D CB 0.747 41.602 40.800 0.091 0.000 1.090 250 D HN 0.108 nan 8.370 nan 0.000 0.476 251 V N 3.622 123.608 119.914 0.121 0.000 2.555 251 V HA 0.395 4.515 4.120 -0.000 0.000 0.302 251 V C 0.177 176.223 176.094 -0.080 0.000 1.038 251 V CA -0.880 61.467 62.300 0.078 0.000 0.887 251 V CB 1.842 33.726 31.823 0.102 0.000 0.991 251 V HN 0.326 nan 8.190 nan 0.000 0.434 252 L N 5.147 126.267 121.223 -0.172 0.000 2.295 252 L HA 0.614 4.954 4.340 -0.000 0.000 0.285 252 L C -0.799 175.864 176.870 -0.345 0.000 1.035 252 L CA -0.594 54.023 54.840 -0.371 0.000 0.806 252 L CB 1.610 43.418 42.059 -0.419 0.000 1.214 252 L HN 0.455 nan 8.230 nan 0.000 0.426 253 L N 4.055 124.965 121.223 -0.522 0.000 2.372 253 L HA 0.555 4.895 4.340 -0.000 0.000 0.273 253 L C -1.296 175.210 176.870 -0.606 0.000 0.989 253 L CA 0.115 54.719 54.840 -0.394 0.000 0.841 253 L CB 1.099 43.014 42.059 -0.241 0.000 1.225 253 L HN 0.204 nan 8.230 nan 0.000 0.414 254 F N 5.980 125.812 119.950 -0.196 0.000 2.427 254 F HA 0.629 5.156 4.527 -0.000 0.000 0.346 254 F C 0.013 175.435 175.800 -0.630 0.000 1.120 254 F CA -0.515 57.295 58.000 -0.317 0.000 1.033 254 F CB 1.353 40.261 39.000 -0.154 0.000 1.126 254 F HN 0.214 nan 8.300 nan 0.000 0.462 255 I N 2.788 123.133 120.570 -0.375 0.000 2.447 255 I HA 0.333 4.503 4.170 -0.000 0.000 0.287 255 I C -1.347 174.570 176.117 -0.334 0.000 1.023 255 I CA -0.545 60.487 61.300 -0.446 0.000 1.083 255 I CB 2.013 39.833 38.000 -0.301 0.000 1.245 255 I HN 0.429 nan 8.210 nan 0.000 0.434 256 D N 5.956 126.144 120.400 -0.354 0.000 2.386 256 D HA 0.275 4.915 4.640 -0.000 0.000 0.247 256 D C -1.460 174.823 176.300 -0.028 0.000 1.336 256 D CA -0.246 53.703 54.000 -0.086 0.000 0.976 256 D CB 1.139 41.993 40.800 0.091 0.000 1.257 256 D HN 0.431 nan 8.370 nan 0.000 0.570 257 N N 4.276 122.978 118.700 0.004 0.000 2.310 257 N HA 0.171 4.911 4.740 -0.000 0.000 0.292 257 N C 0.337 175.873 175.510 0.044 0.000 1.049 257 N CA -0.505 52.568 53.050 0.039 0.000 0.849 257 N CB 1.649 40.213 38.487 0.128 0.000 1.532 257 N HN 0.288 nan 8.380 nan 0.000 0.479 258 I N 3.737 124.311 120.570 0.006 0.000 2.614 258 I HA -0.033 4.137 4.170 -0.000 0.000 0.258 258 I C 1.695 177.880 176.117 0.114 0.000 1.189 258 I CA 0.628 61.923 61.300 -0.009 0.000 1.462 258 I CB -0.600 37.329 38.000 -0.118 0.000 1.092 258 I HN 0.627 nan 8.210 nan 0.000 0.442 259 F N 1.491 121.471 119.950 0.050 0.000 2.202 259 F HA -0.235 4.292 4.527 -0.000 0.000 0.301 259 F C 2.294 178.176 175.800 0.136 0.000 1.082 259 F CA 1.522 59.595 58.000 0.120 0.000 1.313 259 F CB -0.338 38.771 39.000 0.181 0.000 1.024 259 F HN -0.020 nan 8.300 nan 0.000 0.495 260 R N 0.011 120.477 120.500 -0.057 0.000 2.152 260 R HA -0.191 4.149 4.340 -0.000 0.000 0.232 260 R C 2.210 178.410 176.300 -0.166 0.000 1.117 260 R CA 1.408 57.400 56.100 -0.181 0.000 0.981 260 R CB -1.741 28.553 30.300 -0.010 0.000 0.870 260 R HN 0.506 nan 8.270 nan 0.000 0.451 261 F N 1.832 121.664 119.950 -0.197 0.000 2.095 261 F HA -0.233 4.295 4.527 0.002 0.000 0.298 261 F C 1.979 177.675 175.800 -0.174 0.000 1.104 261 F CA 1.897 59.803 58.000 -0.156 0.000 1.232 261 F CB -0.410 38.515 39.000 -0.125 0.000 0.987 261 F HN -0.112 nan 8.300 nan 0.000 0.475 262 T N 0.063 114.465 114.554 -0.254 0.000 2.857 262 T HA -0.203 4.147 4.350 -0.000 0.000 0.266 262 T C 1.867 176.381 174.700 -0.309 0.000 1.048 262 T CA 1.409 63.311 62.100 -0.330 0.000 1.139 262 T CB -0.322 68.499 68.868 -0.078 0.000 0.874 262 T HN 0.482 nan 8.240 nan 0.000 0.455 263 Q N 0.669 120.164 119.800 -0.508 0.000 2.079 263 Q HA -0.069 4.271 4.340 -0.000 0.000 0.200 263 Q C 2.483 178.337 176.000 -0.242 0.000 0.974 263 Q CA 1.408 56.980 55.803 -0.384 0.000 0.840 263 Q CB -0.284 28.094 28.738 -0.599 0.000 0.898 263 Q HN 0.509 nan 8.270 nan 0.000 0.430 264 A N 0.749 123.411 122.820 -0.263 0.000 1.865 264 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 264 A C 2.335 179.797 177.584 -0.202 0.000 1.191 264 A CA 1.799 53.719 52.037 -0.194 0.000 0.623 264 A CB -1.629 17.269 19.000 -0.171 0.000 0.826 264 A HN 0.620 nan 8.150 nan 0.000 0.444 265 G N -0.655 107.960 108.800 -0.307 0.000 2.469 265 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.219 265 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.219 265 G C 1.961 176.776 174.900 -0.142 0.000 1.150 265 G CA 1.862 46.801 45.100 -0.268 0.000 0.763 265 G HN 0.703 nan 8.290 nan 0.000 0.561 266 S N 0.470 116.106 115.700 -0.108 0.000 2.383 266 S HA -0.136 4.334 4.470 -0.000 0.000 0.229 266 S C 2.204 176.755 174.600 -0.081 0.000 1.030 266 S CA 1.931 60.094 58.200 -0.061 0.000 1.002 266 S CB -0.346 62.810 63.200 -0.074 0.000 0.829 266 S HN 0.619 nan 8.310 nan 0.000 0.467 267 E N 0.263 120.408 120.200 -0.090 0.000 2.150 267 E HA -0.078 4.272 4.350 -0.000 0.000 0.193 267 E C 2.069 178.637 176.600 -0.054 0.000 0.985 267 E CA 1.455 57.813 56.400 -0.071 0.000 0.814 267 E CB -0.147 29.513 29.700 -0.067 0.000 0.752 267 E HN 0.691 nan 8.360 nan 0.000 0.466 268 V N -2.298 117.582 119.914 -0.057 0.000 3.590 268 V HA 0.085 4.205 4.120 -0.000 0.000 0.265 268 V C 2.070 178.145 176.094 -0.032 0.000 1.239 268 V CA 0.922 63.197 62.300 -0.041 0.000 1.117 268 V CB 0.646 32.444 31.823 -0.041 0.000 0.818 268 V HN 0.081 nan 8.190 nan 0.000 0.451 269 S N 1.416 117.095 115.700 -0.036 0.000 2.368 269 S HA -0.109 4.361 4.470 -0.000 0.000 0.225 269 S C 2.163 176.755 174.600 -0.013 0.000 1.030 269 S CA 1.961 60.148 58.200 -0.022 0.000 0.999 269 S CB -0.437 62.754 63.200 -0.015 0.000 0.844 269 S HN 0.985 nan 8.310 nan 0.000 0.459 270 A N 1.306 124.116 122.820 -0.016 0.000 1.933 270 A HA 0.086 4.406 4.320 -0.000 0.000 0.218 270 A C 2.092 179.671 177.584 -0.009 0.000 1.175 270 A CA 1.386 53.416 52.037 -0.011 0.000 0.628 270 A CB -0.724 18.266 19.000 -0.016 0.000 0.814 270 A HN 0.599 nan 8.150 nan 0.000 0.444 271 L N -0.878 120.338 121.223 -0.011 0.000 2.376 271 L HA -0.001 4.339 4.340 -0.000 0.000 0.219 271 L C 1.742 178.610 176.870 -0.003 0.000 1.133 271 L CA 0.379 55.215 54.840 -0.008 0.000 0.816 271 L CB -0.362 41.691 42.059 -0.010 0.000 0.933 271 L HN 0.288 nan 8.230 nan 0.000 0.449 272 L N 0.037 121.258 121.223 -0.003 0.000 2.591 272 L HA 0.200 4.540 4.340 -0.000 0.000 0.228 272 L C 1.341 178.214 176.870 0.005 0.000 1.133 272 L CA 0.316 55.157 54.840 0.002 0.000 0.880 272 L CB -0.314 41.744 42.059 -0.001 0.000 1.033 272 L HN 0.443 nan 8.230 nan 0.000 0.450 273 G N 0.818 109.620 108.800 0.003 0.000 2.176 273 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.252 273 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.252 273 G C 0.135 175.039 174.900 0.007 0.000 1.024 273 G CA -0.082 45.021 45.100 0.005 0.000 0.755 273 G HN 0.290 nan 8.290 nan 0.000 0.507 274 R N -0.595 119.909 120.500 0.006 0.000 2.441 274 R HA 0.614 4.954 4.340 -0.000 0.000 0.284 274 R C 1.170 177.477 176.300 0.011 0.000 1.070 274 R CA -0.568 55.537 56.100 0.010 0.000 1.047 274 R CB 0.592 30.898 30.300 0.011 0.000 1.016 274 R HN 0.341 nan 8.270 nan 0.000 0.477 275 I N 5.573 126.151 120.570 0.014 0.000 2.618 275 I HA 0.099 4.269 4.170 -0.000 0.000 0.284 275 I C -1.543 174.587 176.117 0.022 0.000 1.146 275 I CA -1.491 59.819 61.300 0.016 0.000 1.425 275 I CB 0.533 38.543 38.000 0.016 0.000 1.383 275 I HN 0.380 nan 8.210 nan 0.000 0.562 276 P HA 0.108 nan 4.420 nan 0.000 0.274 276 P C -0.447 176.882 177.300 0.048 0.000 1.237 276 P CA -0.306 62.815 63.100 0.034 0.000 0.793 276 P CB 1.394 33.108 31.700 0.023 0.000 0.977 277 S N 0.304 116.048 115.700 0.074 0.000 2.667 277 S HA 0.644 5.114 4.470 -0.000 0.000 0.292 277 S C -0.162 174.501 174.600 0.106 0.000 1.108 277 S CA -0.469 57.782 58.200 0.084 0.000 0.992 277 S CB 0.132 63.389 63.200 0.094 0.000 1.269 277 S HN 0.595 nan 8.310 nan 0.000 0.528 278 A N 0.496 123.386 122.820 0.117 0.000 2.540 278 A HA 0.419 4.739 4.320 -0.000 0.000 0.239 278 A C 0.920 178.627 177.584 0.204 0.000 1.061 278 A CA 0.392 52.506 52.037 0.129 0.000 0.758 278 A CB -0.951 18.115 19.000 0.110 0.000 0.991 278 A HN 1.703 nan 8.150 nan 0.000 0.502 279 V N 1.079 121.082 119.914 0.147 0.000 4.654 279 V HA -0.301 3.819 4.120 -0.000 0.000 0.261 279 V C 1.763 177.875 176.094 0.029 0.000 0.471 279 V CA 1.423 63.798 62.300 0.126 0.000 0.802 279 V CB -2.624 29.330 31.823 0.219 0.000 0.768 279 V HN 2.924 nan 8.190 nan 0.000 1.286 280 G N -2.318 106.500 108.800 0.030 0.000 2.212 280 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.266 280 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.266 280 G C 0.015 174.884 174.900 -0.050 0.000 0.978 280 G CA 0.524 45.603 45.100 -0.035 0.000 0.632 280 G HN 0.984 nan 8.290 nan 0.000 0.537 281 Y N 2.102 122.420 120.300 0.030 0.000 2.511 281 Y HA 0.270 4.820 4.550 0.001 0.000 0.347 281 Y C 1.613 177.516 175.900 0.005 0.000 1.257 281 Y CA 0.235 58.346 58.100 0.019 0.000 1.469 281 Y CB 0.443 38.925 38.460 0.037 0.000 1.353 281 Y HN 0.449 nan 8.280 nan 0.000 0.617 282 Q N 3.209 123.122 119.800 0.189 0.000 2.310 282 Q HA -0.050 4.289 4.340 -0.000 0.000 0.315 282 Q C -2.333 173.720 176.000 0.089 0.000 1.081 282 Q CA -1.112 54.747 55.803 0.094 0.000 0.981 282 Q CB 0.385 29.152 28.738 0.048 0.000 1.184 282 Q HN 0.404 nan 8.270 nan 0.000 0.389 283 P HA -0.079 nan 4.420 nan 0.000 0.225 283 P C 0.868 178.193 177.300 0.040 0.000 1.148 283 P CA 1.451 64.580 63.100 0.049 0.000 0.779 283 P CB -0.007 31.714 31.700 0.036 0.000 0.780 284 T N -4.412 110.163 114.554 0.035 0.000 3.145 284 T HA 0.172 4.522 4.350 -0.000 0.000 0.255 284 T C 1.452 176.174 174.700 0.035 0.000 1.039 284 T CA -0.328 61.791 62.100 0.031 0.000 0.928 284 T CB -0.966 67.915 68.868 0.022 0.000 1.029 284 T HN -0.029 nan 8.240 nan 0.000 0.554 285 L N 1.043 122.284 121.223 0.030 0.000 2.021 285 L HA -0.124 4.216 4.340 -0.000 0.000 0.215 285 L C 2.741 179.645 176.870 0.056 0.000 1.074 285 L CA 2.121 56.971 54.840 0.016 0.000 0.760 285 L CB -0.612 41.422 42.059 -0.043 0.000 0.889 285 L HN 0.419 nan 8.230 nan 0.000 0.433 286 A N -1.015 121.841 122.820 0.061 0.000 1.898 286 A HA -0.152 4.168 4.320 -0.000 0.000 0.214 286 A C 2.329 179.983 177.584 0.116 0.000 1.183 286 A CA 1.709 53.803 52.037 0.095 0.000 0.622 286 A CB -1.039 18.007 19.000 0.076 0.000 0.824 286 A HN 0.616 nan 8.150 nan 0.000 0.444 287 T N -2.108 112.499 114.554 0.089 0.000 2.857 287 T HA -0.122 4.228 4.350 -0.000 0.000 0.266 287 T C 1.310 176.071 174.700 0.103 0.000 1.048 287 T CA 1.424 63.576 62.100 0.087 0.000 1.139 287 T CB -0.435 68.469 68.868 0.061 0.000 0.874 287 T HN 0.314 nan 8.240 nan 0.000 0.455 288 D N 0.997 121.469 120.400 0.120 0.000 2.097 288 D HA -0.049 4.591 4.640 -0.000 0.000 0.195 288 D C 1.980 178.456 176.300 0.294 0.000 0.989 288 D CA 1.098 55.216 54.000 0.197 0.000 0.827 288 D CB -0.402 40.485 40.800 0.145 0.000 0.966 288 D HN 0.398 nan 8.370 nan 0.000 0.456 289 M N 0.414 120.164 119.600 0.250 0.000 2.175 289 M HA -0.057 4.423 4.480 -0.000 0.000 0.264 289 M C 2.030 178.263 176.300 -0.111 0.000 1.063 289 M CA 1.799 57.166 55.300 0.112 0.000 1.119 289 M CB -0.164 32.510 32.600 0.123 0.000 1.377 289 M HN 0.013 nan 8.290 nan 0.000 0.415 290 G N -0.114 108.708 108.800 0.036 0.000 2.459 290 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.217 290 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.217 290 G C 1.422 176.324 174.900 0.003 0.000 1.183 290 G CA 1.688 46.833 45.100 0.075 0.000 0.776 290 G HN 0.595 nan 8.290 nan 0.000 0.552 291 T N -1.476 113.091 114.554 0.023 0.000 2.833 291 T HA -0.055 4.295 4.350 -0.000 0.000 0.269 291 T C 2.205 176.880 174.700 -0.042 0.000 1.054 291 T CA 1.577 63.687 62.100 0.016 0.000 1.135 291 T CB -0.132 68.770 68.868 0.056 0.000 0.869 291 T HN 0.165 nan 8.240 nan 0.000 0.466 292 M N 0.455 119.986 119.600 -0.115 0.000 2.191 292 M HA 0.026 4.506 4.480 -0.000 0.000 0.262 292 M C 2.283 178.407 176.300 -0.293 0.000 1.083 292 M CA 1.405 56.550 55.300 -0.258 0.000 1.154 292 M CB -0.669 31.605 32.600 -0.544 0.000 1.344 292 M HN 0.139 nan 8.290 nan 0.000 0.431 293 Q N 0.609 120.191 119.800 -0.364 0.000 2.124 293 Q HA -0.141 4.198 4.340 -0.000 0.000 0.202 293 Q C 1.771 177.658 176.000 -0.190 0.000 0.977 293 Q CA 1.274 56.849 55.803 -0.379 0.000 0.850 293 Q CB -0.400 27.884 28.738 -0.756 0.000 0.901 293 Q HN 0.570 nan 8.270 nan 0.000 0.429 294 E N 0.352 120.489 120.200 -0.105 0.000 2.338 294 E HA -0.111 4.239 4.350 -0.000 0.000 0.197 294 E C 1.838 178.419 176.600 -0.032 0.000 1.007 294 E CA 0.419 56.811 56.400 -0.012 0.000 0.849 294 E CB 0.007 29.730 29.700 0.037 0.000 0.774 294 E HN 0.329 nan 8.360 nan 0.000 0.506 295 R N 0.147 120.607 120.500 -0.066 0.000 2.153 295 R HA 0.107 4.447 4.340 -0.000 0.000 0.218 295 R C 1.045 177.299 176.300 -0.078 0.000 1.072 295 R CA 0.319 56.380 56.100 -0.065 0.000 0.990 295 R CB 0.057 30.311 30.300 -0.077 0.000 0.889 295 R HN 0.069 nan 8.270 nan 0.000 0.452 296 I N 1.878 122.384 120.570 -0.107 0.000 2.270 296 I HA 0.023 4.193 4.170 -0.000 0.000 0.300 296 I C -0.002 176.064 176.117 -0.085 0.000 1.186 296 I CA 0.305 61.536 61.300 -0.115 0.000 1.431 296 I CB 0.369 38.272 38.000 -0.162 0.000 1.485 296 I HN -0.046 nan 8.210 nan 0.000 0.650 297 T N 2.704 117.219 114.554 -0.065 0.000 2.885 297 T HA 0.255 4.605 4.350 -0.000 0.000 0.322 297 T C -0.287 174.387 174.700 -0.043 0.000 1.387 297 T CA -0.388 61.683 62.100 -0.049 0.000 1.041 297 T CB 1.554 70.403 68.868 -0.031 0.000 1.287 297 T HN 0.260 nan 8.240 nan 0.000 0.491 298 T N 3.621 118.150 114.554 -0.041 0.000 2.919 298 T HA 0.539 4.889 4.350 -0.000 0.000 0.302 298 T C 0.457 175.136 174.700 -0.036 0.000 1.031 298 T CA -0.073 62.007 62.100 -0.034 0.000 1.127 298 T CB 0.524 69.373 68.868 -0.032 0.000 0.952 298 T HN 0.863 nan 8.240 nan 0.000 0.540 299 T N 0.058 114.592 114.554 -0.033 0.000 2.888 299 T HA 0.477 4.827 4.350 -0.000 0.000 0.288 299 T C 1.119 175.796 174.700 -0.039 0.000 1.063 299 T CA -1.148 60.928 62.100 -0.040 0.000 1.010 299 T CB 1.566 70.413 68.868 -0.035 0.000 1.214 299 T HN 0.391 nan 8.240 nan 0.000 0.533 300 K N 0.108 120.481 120.400 -0.046 0.000 2.127 300 K HA -0.155 4.165 4.320 -0.000 0.000 0.208 300 K C 2.129 178.710 176.600 -0.031 0.000 1.047 300 K CA 1.550 57.812 56.287 -0.041 0.000 0.927 300 K CB -0.153 32.320 32.500 -0.045 0.000 0.716 300 K HN 0.545 nan 8.250 nan 0.000 0.450 301 K N -0.201 120.181 120.400 -0.030 0.000 2.217 301 K HA -0.038 4.282 4.320 -0.000 0.000 0.202 301 K C 0.342 176.929 176.600 -0.021 0.000 1.051 301 K CA 0.826 57.097 56.287 -0.027 0.000 0.952 301 K CB 0.355 32.837 32.500 -0.030 0.000 0.736 301 K HN 0.251 nan 8.250 nan 0.000 0.453 302 G N -0.791 107.999 108.800 -0.018 0.000 2.519 302 G HA2 0.150 4.110 3.960 -0.000 0.000 0.292 302 G HA3 0.150 4.110 3.960 -0.000 0.000 0.292 302 G C -1.783 173.113 174.900 -0.005 0.000 1.507 302 G CA -0.697 44.400 45.100 -0.006 0.000 0.806 302 G HN -0.044 nan 8.290 nan 0.000 0.523 303 S N 0.066 115.769 115.700 0.005 0.000 2.429 303 S HA 0.698 5.168 4.470 -0.000 0.000 0.302 303 S C -0.060 174.540 174.600 -0.000 0.000 1.115 303 S CA -0.700 57.500 58.200 -0.001 0.000 1.095 303 S CB 0.209 63.414 63.200 0.007 0.000 0.987 303 S HN 0.494 nan 8.310 nan 0.000 0.474 304 I N 4.684 125.238 120.570 -0.027 0.000 2.330 304 I HA 0.238 4.408 4.170 -0.000 0.000 0.289 304 I C -0.020 176.039 176.117 -0.097 0.000 1.001 304 I CA -0.517 60.749 61.300 -0.057 0.000 1.193 304 I CB 1.865 39.825 38.000 -0.065 0.000 1.345 304 I HN 0.501 nan 8.210 nan 0.000 0.461 305 T N 4.718 119.189 114.554 -0.138 0.000 2.727 305 T HA 0.257 4.607 4.350 -0.000 0.000 0.298 305 T C 0.206 174.727 174.700 -0.299 0.000 0.942 305 T CA -0.551 61.437 62.100 -0.187 0.000 0.997 305 T CB 0.383 69.142 68.868 -0.182 0.000 0.917 305 T HN 0.673 nan 8.240 nan 0.000 0.487 306 S N 2.295 117.830 115.700 -0.274 0.000 2.454 306 S HA 0.718 5.187 4.470 -0.000 0.000 0.306 306 S C -0.450 173.944 174.600 -0.343 0.000 1.100 306 S CA -0.847 57.156 58.200 -0.329 0.000 1.087 306 S CB 1.379 64.433 63.200 -0.244 0.000 1.019 306 S HN 0.383 nan 8.310 nan 0.000 0.480 307 V N 3.273 122.955 119.914 -0.387 0.000 2.407 307 V HA 0.446 4.566 4.120 -0.000 0.000 0.291 307 V C -0.633 175.348 176.094 -0.190 0.000 1.018 307 V CA -0.535 61.605 62.300 -0.266 0.000 0.842 307 V CB 1.252 32.995 31.823 -0.133 0.000 0.996 307 V HN 0.963 nan 8.190 nan 0.000 0.426 308 Q N 3.252 122.935 119.800 -0.195 0.000 2.339 308 Q HA 0.700 5.039 4.340 -0.000 0.000 0.268 308 Q C -0.147 175.745 176.000 -0.179 0.000 1.027 308 Q CA -0.513 55.174 55.803 -0.193 0.000 0.759 308 Q CB 2.440 31.041 28.738 -0.228 0.000 1.244 308 Q HN 0.891 nan 8.270 nan 0.000 0.464 309 A N 3.780 126.536 122.820 -0.107 0.000 2.440 309 A HA 0.456 4.776 4.320 -0.000 0.000 0.251 309 A C -0.256 177.271 177.584 -0.096 0.000 1.089 309 A CA 0.027 52.022 52.037 -0.070 0.000 0.779 309 A CB 0.058 19.073 19.000 0.024 0.000 1.022 309 A HN 0.776 nan 8.150 nan 0.000 0.492 310 I N 2.859 123.338 120.570 -0.151 0.000 2.493 310 I HA 0.146 4.315 4.170 -0.000 0.000 0.279 310 I C -0.744 175.352 176.117 -0.035 0.000 1.045 310 I CA -0.403 60.799 61.300 -0.163 0.000 1.106 310 I CB 1.095 38.722 38.000 -0.622 0.000 1.216 310 I HN 0.761 nan 8.210 nan 0.000 0.459 311 Y N 6.879 127.149 120.300 -0.049 0.000 2.497 311 Y HA 0.346 4.896 4.550 -0.000 0.000 0.334 311 Y C -0.289 175.392 175.900 -0.365 0.000 1.199 311 Y CA 0.137 58.129 58.100 -0.180 0.000 1.425 311 Y CB 0.910 39.257 38.460 -0.189 0.000 1.291 311 Y HN 0.254 nan 8.280 nan 0.000 0.562 312 V N 8.688 128.090 119.914 -0.852 0.000 2.325 312 V HA 0.284 4.403 4.120 -0.000 0.000 0.280 312 V C -2.252 173.384 176.094 -0.763 0.000 1.016 312 V CA -1.984 59.977 62.300 -0.565 0.000 0.818 312 V CB 0.967 32.640 31.823 -0.249 0.000 1.019 312 V HN 0.699 nan 8.190 nan 0.000 0.434 313 P HA 0.124 nan 4.420 nan 0.000 0.268 313 P C 0.565 177.799 177.300 -0.111 0.000 1.204 313 P CA 0.685 63.666 63.100 -0.199 0.000 0.768 313 P CB 1.027 32.752 31.700 0.043 0.000 0.842 314 A N 3.366 126.154 122.820 -0.053 0.000 2.771 314 A HA -0.248 4.072 4.320 -0.000 0.000 0.294 314 A C 0.824 178.374 177.584 -0.056 0.000 1.500 314 A CA 1.346 53.368 52.037 -0.025 0.000 0.829 314 A CB -2.590 16.420 19.000 0.018 0.000 0.998 314 A HN 0.601 nan 8.150 nan 0.000 0.526 315 D N -1.872 118.456 120.400 -0.120 0.000 3.039 315 D HA -0.185 4.455 4.640 -0.000 0.000 0.222 315 D C -0.185 176.078 176.300 -0.061 0.000 1.179 315 D CA 2.172 56.111 54.000 -0.101 0.000 0.880 315 D CB -0.985 39.777 40.800 -0.063 0.000 1.115 315 D HN 0.956 nan 8.370 nan 0.000 0.416 316 D N 0.079 120.450 120.400 -0.049 0.000 2.428 316 D HA 0.237 4.877 4.640 -0.000 0.000 0.221 316 D C 1.364 177.672 176.300 0.014 0.000 1.123 316 D CA -0.363 53.633 54.000 -0.007 0.000 0.869 316 D CB 0.301 41.112 40.800 0.019 0.000 1.032 316 D HN 0.105 nan 8.370 nan 0.000 0.506 317 L N 2.527 123.765 121.223 0.026 0.000 2.362 317 L HA -0.065 4.275 4.340 -0.000 0.000 0.219 317 L C 2.214 179.151 176.870 0.112 0.000 1.134 317 L CA 1.234 56.123 54.840 0.081 0.000 0.807 317 L CB -0.288 41.813 42.059 0.071 0.000 0.927 317 L HN 0.501 nan 8.230 nan 0.000 0.447 318 T N -4.600 109.992 114.554 0.063 0.000 3.129 318 T HA -0.067 4.283 4.350 -0.000 0.000 0.251 318 T C 0.766 175.516 174.700 0.083 0.000 1.117 318 T CA -0.385 61.752 62.100 0.062 0.000 1.034 318 T CB -0.331 68.555 68.868 0.031 0.000 0.968 318 T HN 0.205 nan 8.240 nan 0.000 0.526 319 D N 2.620 123.079 120.400 0.098 0.000 2.493 319 D HA 0.026 4.666 4.640 -0.000 0.000 0.240 319 D C -1.452 174.907 176.300 0.099 0.000 1.142 319 D CA -1.430 52.649 54.000 0.131 0.000 0.872 319 D CB 1.478 42.374 40.800 0.160 0.000 1.173 319 D HN 0.017 nan 8.370 nan 0.000 0.467 320 P HA -0.223 nan 4.420 nan 0.000 0.218 320 P C 0.833 178.055 177.300 -0.129 0.000 1.152 320 P CA 2.034 65.080 63.100 -0.089 0.000 0.857 320 P CB 0.143 31.696 31.700 -0.246 0.000 0.787 321 A N -0.214 122.512 122.820 -0.157 0.000 1.841 321 A HA -0.093 4.227 4.320 -0.000 0.000 0.214 321 A C -0.005 177.674 177.584 0.159 0.000 1.195 321 A CA 2.080 54.125 52.037 0.013 0.000 0.611 321 A CB -2.184 17.010 19.000 0.323 0.000 0.835 321 A HN 0.216 nan 8.150 nan 0.000 0.443 322 P HA -0.115 nan 4.420 nan 0.000 0.216 322 P C 1.643 179.063 177.300 0.200 0.000 1.153 322 P CA 2.003 65.227 63.100 0.206 0.000 0.848 322 P CB -0.240 31.581 31.700 0.202 0.000 0.787 323 A N 0.067 123.032 122.820 0.242 0.000 1.917 323 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 323 A C 2.284 180.056 177.584 0.313 0.000 1.182 323 A CA 2.658 54.896 52.037 0.334 0.000 0.633 323 A CB -2.002 17.102 19.000 0.175 0.000 0.819 323 A HN 0.237 nan 8.150 nan 0.000 0.448 324 T N -0.552 114.117 114.554 0.191 0.000 3.055 324 T HA -0.034 4.316 4.350 -0.000 0.000 0.265 324 T C 1.766 176.608 174.700 0.236 0.000 1.111 324 T CA 1.560 63.762 62.100 0.171 0.000 1.118 324 T CB -0.265 68.670 68.868 0.112 0.000 0.909 324 T HN 0.584 nan 8.240 nan 0.000 0.501 325 T N 1.525 116.215 114.554 0.226 0.000 2.942 325 T HA 0.098 4.448 4.350 -0.000 0.000 0.265 325 T C 1.503 176.354 174.700 0.251 0.000 1.062 325 T CA 0.461 62.699 62.100 0.230 0.000 1.139 325 T CB -0.457 68.460 68.868 0.082 0.000 0.883 325 T HN 0.327 nan 8.240 nan 0.000 0.468 326 F N 2.235 122.363 119.950 0.298 0.000 2.085 326 F HA -0.223 4.304 4.527 -0.000 0.000 0.299 326 F C 2.671 178.532 175.800 0.101 0.000 1.096 326 F CA 1.252 59.375 58.000 0.205 0.000 1.227 326 F CB -0.535 38.478 39.000 0.022 0.000 0.983 326 F HN 0.151 nan 8.300 nan 0.000 0.482 327 A N -1.754 121.178 122.820 0.187 0.000 2.248 327 A HA -0.142 4.178 4.320 -0.000 0.000 0.210 327 A C 1.393 178.895 177.584 -0.137 0.000 1.174 327 A CA 1.042 53.071 52.037 -0.013 0.000 0.750 327 A CB -0.896 18.037 19.000 -0.112 0.000 0.780 327 A HN 0.480 nan 8.150 nan 0.000 0.478 328 H N -1.069 118.058 119.070 0.095 0.000 2.529 328 H HA 0.366 4.921 4.556 -0.000 0.000 0.277 328 H C -0.282 175.062 175.328 0.026 0.000 1.004 328 H CA 0.195 56.266 56.048 0.040 0.000 1.167 328 H CB 0.119 29.884 29.762 0.004 0.000 1.445 328 H HN 0.336 nan 8.280 nan 0.000 0.554 329 L N 0.318 121.628 121.223 0.145 0.000 2.342 329 L HA 0.240 4.580 4.340 -0.000 0.000 0.271 329 L C 0.680 177.606 176.870 0.093 0.000 1.008 329 L CA -0.581 54.324 54.840 0.109 0.000 0.818 329 L CB 2.236 44.387 42.059 0.153 0.000 1.296 329 L HN -0.110 nan 8.230 nan 0.000 0.427 330 D N 1.415 121.850 120.400 0.058 0.000 2.367 330 D HA 0.222 4.862 4.640 -0.000 0.000 0.207 330 D C 0.205 176.558 176.300 0.089 0.000 1.034 330 D CA 0.499 54.534 54.000 0.059 0.000 0.861 330 D CB 1.194 42.013 40.800 0.032 0.000 0.943 330 D HN 0.510 nan 8.370 nan 0.000 0.515 331 A N 0.660 123.540 122.820 0.101 0.000 2.491 331 A HA 0.501 4.821 4.320 -0.000 0.000 0.293 331 A C -0.459 177.242 177.584 0.195 0.000 1.047 331 A CA -0.717 51.422 52.037 0.169 0.000 0.735 331 A CB 1.237 20.383 19.000 0.243 0.000 1.281 331 A HN -0.039 nan 8.150 nan 0.000 0.398 332 T N -0.324 114.392 114.554 0.270 0.000 2.797 332 T HA 0.706 5.056 4.350 -0.000 0.000 0.279 332 T C -0.311 174.598 174.700 0.349 0.000 0.991 332 T CA -0.505 61.815 62.100 0.366 0.000 0.979 332 T CB 1.307 70.446 68.868 0.452 0.000 0.943 332 T HN 0.505 nan 8.240 nan 0.000 0.444 333 T N 3.183 117.960 114.554 0.372 0.000 2.821 333 T HA 0.456 4.806 4.350 -0.000 0.000 0.307 333 T C -0.069 174.835 174.700 0.340 0.000 1.034 333 T CA -0.577 61.717 62.100 0.322 0.000 0.953 333 T CB 0.701 69.769 68.868 0.334 0.000 0.968 333 T HN 0.622 nan 8.240 nan 0.000 0.462 334 V N 5.853 125.926 119.914 0.265 0.000 2.364 334 V HA 0.363 4.483 4.120 -0.000 0.000 0.272 334 V C 0.261 176.445 176.094 0.151 0.000 1.036 334 V CA -0.776 61.662 62.300 0.229 0.000 0.880 334 V CB 0.586 32.483 31.823 0.123 0.000 0.991 334 V HN 0.741 nan 8.190 nan 0.000 0.460 335 L N 3.781 125.093 121.223 0.148 0.000 2.399 335 L HA 0.620 4.960 4.340 -0.000 0.000 0.266 335 L C 0.431 177.329 176.870 0.046 0.000 1.114 335 L CA 0.095 54.988 54.840 0.089 0.000 0.804 335 L CB 1.546 43.662 42.059 0.096 0.000 1.146 335 L HN 0.663 nan 8.230 nan 0.000 0.451 336 S N 0.861 116.565 115.700 0.007 0.000 2.557 336 S HA 0.325 4.794 4.470 -0.000 0.000 0.291 336 S C 0.579 175.156 174.600 -0.039 0.000 1.116 336 S CA -0.798 57.393 58.200 -0.016 0.000 0.992 336 S CB 1.741 64.928 63.200 -0.022 0.000 1.028 336 S HN 0.723 nan 8.310 nan 0.000 0.484 337 R N 3.424 123.904 120.500 -0.034 0.000 2.092 337 R HA -0.025 4.315 4.340 -0.000 0.000 0.231 337 R C 2.005 178.275 176.300 -0.049 0.000 1.119 337 R CA 1.794 57.872 56.100 -0.036 0.000 0.970 337 R CB -0.646 29.639 30.300 -0.024 0.000 0.864 337 R HN 0.754 nan 8.270 nan 0.000 0.440 338 A N 0.952 123.745 122.820 -0.046 0.000 1.933 338 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 338 A C 2.104 179.650 177.584 -0.064 0.000 1.175 338 A CA 1.217 53.225 52.037 -0.047 0.000 0.628 338 A CB -0.376 18.599 19.000 -0.042 0.000 0.814 338 A HN 0.368 nan 8.150 nan 0.000 0.444 339 I N -0.609 119.915 120.570 -0.077 0.000 2.286 339 I HA -0.200 3.970 4.170 -0.000 0.000 0.245 339 I C 2.957 178.962 176.117 -0.188 0.000 1.104 339 I CA 0.864 62.105 61.300 -0.098 0.000 1.397 339 I CB -0.343 37.611 38.000 -0.078 0.000 1.072 339 I HN 0.357 nan 8.210 nan 0.000 0.417 340 A N 0.609 123.282 122.820 -0.246 0.000 1.902 340 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 340 A C 2.184 179.613 177.584 -0.258 0.000 1.181 340 A CA 1.655 53.422 52.037 -0.450 0.000 0.623 340 A CB -0.592 18.239 19.000 -0.282 0.000 0.818 340 A HN 0.418 nan 8.150 nan 0.000 0.443 341 E N -0.231 119.903 120.200 -0.111 0.000 2.153 341 E HA -0.111 4.239 4.350 -0.000 0.000 0.194 341 E C 1.531 178.108 176.600 -0.037 0.000 0.988 341 E CA 0.783 57.158 56.400 -0.041 0.000 0.811 341 E CB -0.275 29.412 29.700 -0.022 0.000 0.746 341 E HN 0.629 nan 8.360 nan 0.000 0.466 342 L N -0.236 120.949 121.223 -0.063 0.000 2.633 342 L HA -0.014 4.326 4.340 -0.000 0.000 0.235 342 L C 1.538 178.378 176.870 -0.051 0.000 1.163 342 L CA 0.566 55.375 54.840 -0.052 0.000 0.859 342 L CB -0.348 41.684 42.059 -0.045 0.000 0.973 342 L HN 0.332 nan 8.230 nan 0.000 0.451 343 G N -0.027 108.746 108.800 -0.045 0.000 2.176 343 G HA2 -0.253 3.706 3.960 -0.000 0.000 0.253 343 G HA3 -0.253 3.706 3.960 -0.000 0.000 0.253 343 G C 0.341 175.318 174.900 0.127 0.000 0.979 343 G CA -0.316 44.836 45.100 0.086 0.000 0.641 343 G HN 0.181 nan 8.290 nan 0.000 0.530 344 I N 1.343 121.875 120.570 -0.063 0.000 2.483 344 I HA 0.353 4.523 4.170 -0.000 0.000 0.291 344 I C 0.077 176.010 176.117 -0.307 0.000 1.112 344 I CA -0.201 61.094 61.300 -0.009 0.000 1.350 344 I CB -0.912 37.088 38.000 -0.001 0.000 1.419 344 I HN 0.101 nan 8.210 nan 0.000 0.523 345 Y N 7.300 127.608 120.300 0.013 0.000 2.462 345 Y HA 0.403 4.953 4.550 -0.000 0.000 0.346 345 Y C -2.017 173.726 175.900 -0.261 0.000 0.976 345 Y CA -2.451 55.567 58.100 -0.137 0.000 1.044 345 Y CB 2.096 40.448 38.460 -0.180 0.000 1.230 345 Y HN 0.420 nan 8.280 nan 0.000 0.455 346 P HA 0.049 nan 4.420 nan 0.000 0.271 346 P C -0.445 176.839 177.300 -0.027 0.000 1.216 346 P CA -0.082 62.970 63.100 -0.079 0.000 0.776 346 P CB 1.066 32.751 31.700 -0.024 0.000 0.881 347 A N 3.876 126.670 122.820 -0.045 0.000 2.810 347 A HA 0.198 4.518 4.320 -0.000 0.000 0.247 347 A C 0.527 178.097 177.584 -0.023 0.000 1.576 347 A CA -0.265 51.697 52.037 -0.125 0.000 1.294 347 A CB -1.197 17.682 19.000 -0.202 0.000 0.976 347 A HN 0.380 nan 8.150 nan 0.000 0.631 348 V N 1.203 121.126 119.914 0.015 0.000 2.555 348 V HA 0.047 4.167 4.120 -0.000 0.000 0.286 348 V C 0.414 176.525 176.094 0.027 0.000 1.044 348 V CA -0.461 61.869 62.300 0.049 0.000 1.026 348 V CB 1.198 33.063 31.823 0.070 0.000 0.981 348 V HN 0.607 nan 8.190 nan 0.000 0.480 349 D N 7.852 128.272 120.400 0.033 0.000 2.352 349 D HA 0.170 4.810 4.640 -0.000 0.000 0.245 349 D C -1.378 174.931 176.300 0.015 0.000 1.224 349 D CA -2.000 52.009 54.000 0.016 0.000 0.879 349 D CB 1.737 42.543 40.800 0.009 0.000 1.057 349 D HN 0.281 nan 8.370 nan 0.000 0.491 350 P HA -0.015 nan 4.420 nan 0.000 0.237 350 P C 1.055 178.345 177.300 -0.017 0.000 1.178 350 P CA 0.450 63.545 63.100 -0.008 0.000 0.766 350 P CB 0.384 32.074 31.700 -0.017 0.000 0.876 351 L N -1.241 119.972 121.223 -0.016 0.000 2.693 351 L HA 0.276 4.616 4.340 -0.000 0.000 0.235 351 L C 1.280 178.129 176.870 -0.034 0.000 1.127 351 L CA 0.312 55.135 54.840 -0.027 0.000 0.914 351 L CB 0.022 42.063 42.059 -0.030 0.000 1.193 351 L HN -0.166 nan 8.230 nan 0.000 0.502 352 D N -0.889 119.498 120.400 -0.022 0.000 2.500 352 D HA 0.094 4.734 4.640 -0.000 0.000 0.217 352 D C 0.121 176.423 176.300 0.003 0.000 1.159 352 D CA 0.246 54.226 54.000 -0.035 0.000 0.828 352 D CB 0.772 41.546 40.800 -0.043 0.000 1.039 352 D HN -0.057 nan 8.370 nan 0.000 0.512 353 S N -0.074 115.648 115.700 0.037 0.000 2.462 353 S HA 0.636 5.106 4.470 -0.000 0.000 0.294 353 S C 0.066 174.708 174.600 0.071 0.000 1.144 353 S CA -0.677 57.577 58.200 0.090 0.000 1.088 353 S CB 1.708 64.974 63.200 0.110 0.000 1.009 353 S HN 0.259 nan 8.310 nan 0.000 0.484 354 T N -0.966 113.649 114.554 0.102 0.000 2.901 354 T HA 0.808 5.158 4.350 -0.000 0.000 0.293 354 T C -0.665 174.105 174.700 0.117 0.000 1.084 354 T CA -0.883 61.264 62.100 0.079 0.000 1.008 354 T CB 1.857 70.756 68.868 0.051 0.000 1.170 354 T HN 0.465 nan 8.240 nan 0.000 0.509 355 S N -0.571 115.185 115.700 0.093 0.000 2.575 355 S HA 0.390 4.860 4.470 -0.000 0.000 0.278 355 S C 0.608 175.253 174.600 0.074 0.000 1.139 355 S CA -0.881 57.382 58.200 0.106 0.000 0.954 355 S CB 1.552 64.819 63.200 0.112 0.000 1.054 355 S HN 0.769 nan 8.310 nan 0.000 0.483 356 R N 2.437 122.980 120.500 0.072 0.000 2.285 356 R HA 0.063 4.403 4.340 -0.000 0.000 0.213 356 R C 1.557 177.879 176.300 0.037 0.000 1.068 356 R CA 1.598 57.728 56.100 0.050 0.000 1.004 356 R CB -0.516 29.812 30.300 0.046 0.000 0.873 356 R HN 0.819 nan 8.270 nan 0.000 0.467 357 I N -3.111 117.484 120.570 0.041 0.000 3.956 357 I HA 0.200 4.370 4.170 -0.000 0.000 0.333 357 I C 0.542 176.661 176.117 0.003 0.000 1.302 357 I CA -0.399 60.914 61.300 0.022 0.000 1.122 357 I CB 0.199 38.217 38.000 0.029 0.000 1.013 357 I HN -0.086 nan 8.210 nan 0.000 0.405 358 M N 3.450 123.062 119.600 0.020 0.000 2.869 358 M HA 0.270 4.750 4.480 -0.000 0.000 0.299 358 M C -0.964 175.402 176.300 0.110 0.000 1.508 358 M CA 0.048 55.369 55.300 0.035 0.000 1.551 358 M CB -1.379 31.245 32.600 0.040 0.000 1.384 358 M HN 0.334 nan 8.290 nan 0.000 0.491 359 D N 5.322 125.744 120.400 0.037 0.000 2.966 359 D HA 0.361 5.000 4.640 -0.000 0.000 0.222 359 D C -2.509 173.663 176.300 -0.214 0.000 1.292 359 D CA -1.311 52.624 54.000 -0.108 0.000 0.907 359 D CB 2.162 42.918 40.800 -0.074 0.000 1.621 359 D HN 0.181 nan 8.370 nan 0.000 0.557 360 P HA -0.108 nan 4.420 nan 0.000 0.218 360 P C 0.739 177.941 177.300 -0.164 0.000 1.148 360 P CA 0.787 63.664 63.100 -0.371 0.000 0.822 360 P CB 0.453 31.815 31.700 -0.564 0.000 0.784 361 N N -0.511 118.097 118.700 -0.153 0.000 2.459 361 N HA 0.001 4.741 4.740 -0.000 0.000 0.181 361 N C 1.824 177.305 175.510 -0.049 0.000 1.046 361 N CA 0.786 53.786 53.050 -0.083 0.000 0.904 361 N CB -0.146 38.295 38.487 -0.076 0.000 0.964 361 N HN 0.324 nan 8.380 nan 0.000 0.444 362 I N -0.327 120.212 120.570 -0.051 0.000 2.947 362 I HA -0.064 4.106 4.170 -0.000 0.000 0.263 362 I C 1.868 177.983 176.117 -0.004 0.000 1.130 362 I CA 0.332 61.619 61.300 -0.022 0.000 1.448 362 I CB 0.139 38.127 38.000 -0.020 0.000 1.222 362 I HN -0.110 nan 8.210 nan 0.000 0.453 363 V N -1.253 118.648 119.914 -0.022 0.000 3.650 363 V HA 0.555 4.675 4.120 -0.000 0.000 0.271 363 V C 0.849 176.993 176.094 0.084 0.000 1.281 363 V CA 0.199 62.504 62.300 0.009 0.000 1.120 363 V CB -0.962 30.726 31.823 -0.226 0.000 0.856 363 V HN 0.473 nan 8.190 nan 0.000 0.443 364 G N 0.989 109.816 108.800 0.046 0.000 2.692 364 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.686 364 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.686 364 G C 0.410 175.370 174.900 0.100 0.000 1.243 364 G CA 0.290 45.431 45.100 0.068 0.000 0.782 364 G HN 1.354 nan 8.290 nan 0.000 0.625 365 S N -0.482 115.269 115.700 0.085 0.000 2.428 365 S HA -0.026 4.444 4.470 -0.000 0.000 0.230 365 S C 1.725 176.438 174.600 0.189 0.000 1.014 365 S CA 1.720 59.996 58.200 0.126 0.000 0.957 365 S CB 0.056 63.301 63.200 0.075 0.000 0.784 365 S HN 0.894 nan 8.310 nan 0.000 0.499 366 E N 1.067 121.361 120.200 0.157 0.000 2.028 366 E HA -0.228 4.122 4.350 -0.000 0.000 0.191 366 E C 2.051 178.773 176.600 0.204 0.000 0.988 366 E CA 1.063 57.554 56.400 0.151 0.000 0.799 366 E CB -0.423 29.346 29.700 0.115 0.000 0.755 366 E HN 0.839 nan 8.360 nan 0.000 0.447 367 H N -1.267 117.862 119.070 0.099 0.000 2.289 367 H HA -0.252 4.304 4.556 -0.000 0.000 0.296 367 H C 2.191 177.577 175.328 0.097 0.000 1.091 367 H CA 1.817 57.919 56.048 0.089 0.000 1.274 367 H CB -0.187 29.626 29.762 0.086 0.000 1.364 367 H HN 0.296 nan 8.280 nan 0.000 0.490 368 Y N 1.556 121.911 120.300 0.090 0.000 2.165 368 Y HA -0.252 4.298 4.550 -0.000 0.000 0.286 368 Y C 1.963 177.884 175.900 0.034 0.000 1.155 368 Y CA 2.037 60.133 58.100 -0.006 0.000 1.164 368 Y CB -0.323 38.117 38.460 -0.033 0.000 0.978 368 Y HN 0.334 nan 8.280 nan 0.000 0.513 369 D N -0.598 119.861 120.400 0.099 0.000 2.097 369 D HA -0.165 4.474 4.640 -0.000 0.000 0.197 369 D C 2.420 178.700 176.300 -0.033 0.000 0.984 369 D CA 1.715 55.720 54.000 0.008 0.000 0.826 369 D CB -0.520 40.340 40.800 0.100 0.000 0.973 369 D HN 0.298 nan 8.370 nan 0.000 0.460 370 V N 1.390 121.326 119.914 0.036 0.000 2.332 370 V HA -0.257 3.862 4.120 -0.000 0.000 0.248 370 V C 2.480 178.563 176.094 -0.018 0.000 1.055 370 V CA 1.858 64.185 62.300 0.044 0.000 1.038 370 V CB -0.889 30.996 31.823 0.102 0.000 0.651 370 V HN 0.187 nan 8.190 nan 0.000 0.450 371 A N 0.035 122.830 122.820 -0.041 0.000 1.858 371 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 371 A C 2.337 179.815 177.584 -0.176 0.000 1.190 371 A CA 1.670 53.641 52.037 -0.110 0.000 0.617 371 A CB -0.517 18.432 19.000 -0.085 0.000 0.827 371 A HN 0.384 nan 8.150 nan 0.000 0.443 372 R N -0.339 119.989 120.500 -0.286 0.000 2.105 372 R HA -0.118 4.222 4.340 -0.000 0.000 0.239 372 R C 2.316 178.531 176.300 -0.142 0.000 1.135 372 R CA 1.329 57.264 56.100 -0.275 0.000 0.967 372 R CB -1.768 28.273 30.300 -0.432 0.000 0.861 372 R HN 0.558 nan 8.270 nan 0.000 0.442 373 G N 0.221 108.959 108.800 -0.102 0.000 2.433 373 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.216 373 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.216 373 G C 1.600 176.482 174.900 -0.029 0.000 1.186 373 G CA 0.907 45.980 45.100 -0.044 0.000 0.779 373 G HN 0.192 nan 8.290 nan 0.000 0.543 374 V N 0.685 120.576 119.914 -0.037 0.000 2.332 374 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 374 V C 2.933 179.003 176.094 -0.040 0.000 1.055 374 V CA 2.313 64.593 62.300 -0.034 0.000 1.038 374 V CB -0.612 31.136 31.823 -0.125 0.000 0.651 374 V HN 0.449 nan 8.190 nan 0.000 0.450 375 Q N -0.486 119.274 119.800 -0.067 0.000 2.167 375 Q HA -0.229 4.111 4.340 -0.000 0.000 0.202 375 Q C 2.380 178.362 176.000 -0.031 0.000 0.970 375 Q CA 1.451 57.221 55.803 -0.054 0.000 0.855 375 Q CB -0.182 28.510 28.738 -0.077 0.000 0.911 375 Q HN 0.588 nan 8.270 nan 0.000 0.438 376 K N 0.999 121.380 120.400 -0.032 0.000 2.062 376 K HA -0.098 4.221 4.320 -0.000 0.000 0.205 376 K C 1.954 178.558 176.600 0.006 0.000 1.051 376 K CA 0.696 56.973 56.287 -0.016 0.000 0.941 376 K CB -0.027 32.460 32.500 -0.021 0.000 0.719 376 K HN 0.156 nan 8.250 nan 0.000 0.440 377 I N 1.012 121.589 120.570 0.011 0.000 2.394 377 I HA -0.231 3.939 4.170 -0.000 0.000 0.251 377 I C 1.785 177.942 176.117 0.066 0.000 1.136 377 I CA 0.779 62.096 61.300 0.027 0.000 1.425 377 I CB 0.172 38.179 38.000 0.012 0.000 1.079 377 I HN 0.198 nan 8.210 nan 0.000 0.425 378 L N -0.145 121.116 121.223 0.064 0.000 2.072 378 L HA -0.189 4.151 4.340 -0.000 0.000 0.205 378 L C 2.523 179.450 176.870 0.094 0.000 1.079 378 L CA 0.914 55.820 54.840 0.110 0.000 0.752 378 L CB -0.547 41.552 42.059 0.067 0.000 0.906 378 L HN 0.261 nan 8.230 nan 0.000 0.436 379 Q N 0.364 120.188 119.800 0.041 0.000 2.079 379 Q HA -0.205 4.135 4.340 -0.000 0.000 0.200 379 Q C 1.701 177.717 176.000 0.027 0.000 0.974 379 Q CA 1.735 57.547 55.803 0.015 0.000 0.840 379 Q CB -0.091 28.644 28.738 -0.004 0.000 0.898 379 Q HN 0.359 nan 8.270 nan 0.000 0.430 380 D N -0.943 119.486 120.400 0.049 0.000 2.117 380 D HA -0.167 4.472 4.640 -0.000 0.000 0.197 380 D C 1.530 177.897 176.300 0.111 0.000 0.987 380 D CA 1.042 55.077 54.000 0.058 0.000 0.829 380 D CB -0.425 40.405 40.800 0.050 0.000 0.961 380 D HN 0.320 nan 8.370 nan 0.000 0.460 381 Y N 1.947 122.239 120.300 -0.014 0.000 2.145 381 Y HA -0.185 4.365 4.550 0.000 0.000 0.286 381 Y C 2.186 178.078 175.900 -0.014 0.000 1.145 381 Y CA 1.470 59.562 58.100 -0.013 0.000 1.148 381 Y CB -0.322 38.131 38.460 -0.012 0.000 0.981 381 Y HN -0.161 nan 8.280 nan 0.000 0.507 382 K N -0.576 119.751 120.400 -0.121 0.000 2.103 382 K HA -0.148 4.172 4.320 -0.000 0.000 0.207 382 K C 2.157 178.670 176.600 -0.145 0.000 1.048 382 K CA 1.630 57.788 56.287 -0.215 0.000 0.930 382 K CB -0.199 32.232 32.500 -0.115 0.000 0.716 382 K HN 0.264 nan 8.250 nan 0.000 0.444 383 S N 0.736 116.395 115.700 -0.068 0.000 2.453 383 S HA 0.001 4.471 4.470 -0.000 0.000 0.231 383 S C 1.507 176.084 174.600 -0.039 0.000 1.005 383 S CA 0.671 58.844 58.200 -0.045 0.000 0.949 383 S CB 0.006 63.195 63.200 -0.018 0.000 0.774 383 S HN 0.271 nan 8.310 nan 0.000 0.510 384 L N 0.838 122.042 121.223 -0.031 0.000 2.558 384 L HA 0.118 4.458 4.340 -0.000 0.000 0.225 384 L C 2.224 179.070 176.870 -0.040 0.000 1.128 384 L CA 0.367 55.205 54.840 -0.005 0.000 0.868 384 L CB -0.300 41.799 42.059 0.068 0.000 1.006 384 L HN 0.270 nan 8.230 nan 0.000 0.454 385 Q N -0.016 119.713 119.800 -0.119 0.000 2.230 385 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 385 Q C 1.339 177.291 176.000 -0.081 0.000 0.963 385 Q CA 1.077 56.792 55.803 -0.146 0.000 0.866 385 Q CB 0.114 28.693 28.738 -0.264 0.000 0.931 385 Q HN 0.413 nan 8.270 nan 0.000 0.452 386 D N 0.701 121.063 120.400 -0.063 0.000 2.097 386 D HA -0.135 4.504 4.640 -0.000 0.000 0.195 386 D C 1.679 177.963 176.300 -0.026 0.000 0.989 386 D CA 1.016 54.990 54.000 -0.042 0.000 0.827 386 D CB -0.076 40.703 40.800 -0.036 0.000 0.966 386 D HN 0.197 nan 8.370 nan 0.000 0.456 387 I N 0.437 120.996 120.570 -0.019 0.000 2.163 387 I HA -0.250 3.920 4.170 -0.000 0.000 0.243 387 I C 2.255 178.372 176.117 -0.001 0.000 1.085 387 I CA 0.836 62.133 61.300 -0.006 0.000 1.347 387 I CB -0.241 37.760 38.000 0.001 0.000 1.044 387 I HN -0.000 nan 8.210 nan 0.000 0.408 388 I N 0.812 121.383 120.570 0.002 0.000 2.226 388 I HA -0.291 3.879 4.170 -0.000 0.000 0.245 388 I C 2.785 178.905 176.117 0.004 0.000 1.100 388 I CA 1.421 62.730 61.300 0.014 0.000 1.374 388 I CB -0.514 37.506 38.000 0.034 0.000 1.057 388 I HN 0.188 nan 8.210 nan 0.000 0.413 389 A N 0.864 123.678 122.820 -0.011 0.000 1.933 389 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 389 A C 2.269 179.849 177.584 -0.007 0.000 1.175 389 A CA 1.364 53.394 52.037 -0.012 0.000 0.628 389 A CB -0.456 18.530 19.000 -0.024 0.000 0.814 389 A HN 0.309 nan 8.150 nan 0.000 0.444 390 I N -0.816 119.750 120.570 -0.007 0.000 2.260 390 I HA -0.070 4.099 4.170 -0.000 0.000 0.237 390 I C 2.375 178.492 176.117 -0.000 0.000 1.075 390 I CA 1.102 62.399 61.300 -0.004 0.000 1.376 390 I CB -1.186 36.810 38.000 -0.006 0.000 1.107 390 I HN 0.251 nan 8.210 nan 0.000 0.420 391 L N -0.129 121.095 121.223 0.002 0.000 2.249 391 L HA 0.260 4.600 4.340 -0.000 0.000 0.207 391 L C 1.082 177.957 176.870 0.008 0.000 1.090 391 L CA 0.561 55.404 54.840 0.005 0.000 0.802 391 L CB -0.364 41.698 42.059 0.005 0.000 0.947 391 L HN 0.496 nan 8.230 nan 0.000 0.453 392 G N -1.220 107.587 108.800 0.012 0.000 2.661 392 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.685 392 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.685 392 G C 0.237 175.150 174.900 0.023 0.000 1.298 392 G CA -0.290 44.820 45.100 0.017 0.000 0.855 392 G HN -0.180 nan 8.290 nan 0.000 0.560 393 M N 0.199 119.816 119.600 0.028 0.000 2.143 393 M HA -0.100 4.380 4.480 -0.000 0.000 0.258 393 M C 1.982 178.295 176.300 0.021 0.000 1.071 393 M CA 2.447 57.764 55.300 0.029 0.000 1.088 393 M CB -1.159 31.456 32.600 0.025 0.000 1.360 393 M HN 0.654 nan 8.290 nan 0.000 0.404 394 D N -0.153 120.257 120.400 0.016 0.000 2.310 394 D HA -0.116 4.524 4.640 -0.000 0.000 0.212 394 D C 1.260 177.567 176.300 0.011 0.000 0.965 394 D CA 0.752 54.759 54.000 0.012 0.000 0.879 394 D CB -0.057 40.749 40.800 0.010 0.000 0.921 394 D HN 0.357 nan 8.370 nan 0.000 0.510 395 E N 0.200 120.408 120.200 0.013 0.000 2.444 395 E HA 0.152 4.502 4.350 -0.000 0.000 0.191 395 E C 0.471 177.079 176.600 0.013 0.000 1.041 395 E CA -0.127 56.280 56.400 0.011 0.000 0.883 395 E CB 0.437 30.142 29.700 0.009 0.000 1.024 395 E HN 0.344 nan 8.360 nan 0.000 0.470 396 L N 1.485 122.717 121.223 0.015 0.000 2.325 396 L HA 0.219 4.558 4.340 -0.000 0.000 0.279 396 L C 0.919 177.796 176.870 0.013 0.000 1.054 396 L CA -0.682 54.168 54.840 0.017 0.000 0.804 396 L CB 1.221 43.295 42.059 0.025 0.000 1.200 396 L HN -0.046 nan 8.230 nan 0.000 0.436 397 S N 0.431 116.138 115.700 0.012 0.000 2.572 397 S HA -0.045 4.425 4.470 -0.000 0.000 0.267 397 S C 0.838 175.443 174.600 0.008 0.000 1.361 397 S CA -0.384 57.821 58.200 0.009 0.000 1.009 397 S CB 1.028 64.233 63.200 0.008 0.000 0.888 397 S HN 0.681 nan 8.310 nan 0.000 0.553 398 E N 0.552 120.755 120.200 0.005 0.000 2.204 398 E HA -0.113 4.236 4.350 -0.000 0.000 0.195 398 E C 1.875 178.476 176.600 0.002 0.000 0.990 398 E CA 1.527 57.929 56.400 0.003 0.000 0.821 398 E CB -0.201 29.501 29.700 0.003 0.000 0.750 398 E HN 0.838 nan 8.360 nan 0.000 0.477 399 E N -0.284 119.918 120.200 0.003 0.000 2.072 399 E HA -0.167 4.183 4.350 -0.000 0.000 0.191 399 E C 1.299 177.901 176.600 0.003 0.000 0.985 399 E CA 1.262 57.663 56.400 0.002 0.000 0.801 399 E CB 0.089 29.792 29.700 0.004 0.000 0.750 399 E HN 0.246 nan 8.360 nan 0.000 0.452 400 D N 0.351 120.757 120.400 0.010 0.000 2.117 400 D HA -0.124 4.516 4.640 -0.000 0.000 0.198 400 D C 1.660 177.966 176.300 0.011 0.000 0.982 400 D CA 0.978 54.989 54.000 0.018 0.000 0.828 400 D CB -0.082 40.734 40.800 0.027 0.000 0.967 400 D HN 0.069 nan 8.370 nan 0.000 0.464 401 K N -0.013 120.390 120.400 0.005 0.000 2.152 401 K HA -0.141 4.179 4.320 -0.000 0.000 0.206 401 K C 1.959 178.542 176.600 -0.028 0.000 1.048 401 K CA 0.444 56.727 56.287 -0.006 0.000 0.933 401 K CB -0.076 32.423 32.500 -0.002 0.000 0.721 401 K HN 0.060 nan 8.250 nan 0.000 0.447 402 L N 0.858 122.066 121.223 -0.024 0.000 2.095 402 L HA -0.126 4.214 4.340 -0.000 0.000 0.204 402 L C 2.170 179.006 176.870 -0.057 0.000 1.080 402 L CA 1.804 56.623 54.840 -0.035 0.000 0.759 402 L CB -0.697 41.350 42.059 -0.020 0.000 0.914 402 L HN 0.211 nan 8.230 nan 0.000 0.439 403 T N -2.965 111.564 114.554 -0.042 0.000 2.684 403 T HA -0.193 4.157 4.350 -0.000 0.000 0.267 403 T C 1.921 176.540 174.700 -0.134 0.000 1.036 403 T CA 1.595 63.664 62.100 -0.051 0.000 1.148 403 T CB -1.184 67.684 68.868 0.000 0.000 0.863 403 T HN 0.150 nan 8.240 nan 0.000 0.436 404 V N 2.704 122.533 119.914 -0.142 0.000 2.287 404 V HA -0.214 3.906 4.120 -0.000 0.000 0.248 404 V C 3.180 179.038 176.094 -0.394 0.000 1.053 404 V CA 2.232 64.327 62.300 -0.341 0.000 1.027 404 V CB -1.136 30.617 31.823 -0.116 0.000 0.646 404 V HN 0.794 nan 8.190 nan 0.000 0.447 405 S N 0.117 115.691 115.700 -0.210 0.000 2.368 405 S HA -0.207 4.263 4.470 -0.000 0.000 0.224 405 S C 2.102 176.580 174.600 -0.202 0.000 1.029 405 S CA 1.312 59.408 58.200 -0.175 0.000 0.988 405 S CB -0.456 62.687 63.200 -0.095 0.000 0.838 405 S HN 0.536 nan 8.310 nan 0.000 0.462 406 R N 1.216 121.608 120.500 -0.180 0.000 2.075 406 R HA 0.125 4.465 4.340 -0.000 0.000 0.232 406 R C 2.782 178.964 176.300 -0.196 0.000 1.126 406 R CA 1.234 57.228 56.100 -0.177 0.000 0.963 406 R CB -0.748 29.485 30.300 -0.110 0.000 0.858 406 R HN 0.582 nan 8.270 nan 0.000 0.435 407 A N 1.068 123.750 122.820 -0.231 0.000 1.877 407 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 407 A C 2.057 179.500 177.584 -0.235 0.000 1.186 407 A CA 1.301 53.207 52.037 -0.218 0.000 0.620 407 A CB -0.377 18.442 19.000 -0.303 0.000 0.822 407 A HN 0.219 nan 8.150 nan 0.000 0.443 408 R N -0.391 119.883 120.500 -0.377 0.000 2.120 408 R HA -0.090 4.250 4.340 -0.000 0.000 0.234 408 R C 2.072 178.292 176.300 -0.133 0.000 1.123 408 R CA 1.597 57.561 56.100 -0.227 0.000 0.975 408 R CB -0.190 29.968 30.300 -0.237 0.000 0.866 408 R HN 0.518 nan 8.270 nan 0.000 0.446 409 K N 0.126 120.385 120.400 -0.236 0.000 2.167 409 K HA -0.006 4.314 4.320 -0.000 0.000 0.203 409 K C 1.932 178.337 176.600 -0.325 0.000 1.052 409 K CA 0.872 56.901 56.287 -0.429 0.000 0.956 409 K CB 0.074 32.051 32.500 -0.871 0.000 0.735 409 K HN 0.120 nan 8.250 nan 0.000 0.451 410 I N 1.376 121.861 120.570 -0.143 0.000 2.202 410 I HA -0.288 3.882 4.170 -0.000 0.000 0.242 410 I C 2.375 178.648 176.117 0.260 0.000 1.091 410 I CA 1.278 62.663 61.300 0.143 0.000 1.368 410 I CB -0.152 37.957 38.000 0.181 0.000 1.058 410 I HN 0.209 nan 8.210 nan 0.000 0.410 411 Q N 0.281 120.166 119.800 0.141 0.000 2.112 411 Q HA -0.273 4.067 4.340 -0.000 0.000 0.206 411 Q C 2.358 178.476 176.000 0.196 0.000 0.987 411 Q CA 1.770 57.666 55.803 0.155 0.000 0.858 411 Q CB -0.134 28.678 28.738 0.123 0.000 0.905 411 Q HN 0.433 nan 8.270 nan 0.000 0.420 412 R N -0.790 119.834 120.500 0.206 0.000 2.090 412 R HA -0.071 4.269 4.340 -0.000 0.000 0.228 412 R C 1.804 178.308 176.300 0.340 0.000 1.110 412 R CA 0.854 57.138 56.100 0.306 0.000 0.973 412 R CB -0.128 30.369 30.300 0.328 0.000 0.869 412 R HN 0.155 nan 8.270 nan 0.000 0.440 413 F N 0.716 120.752 119.950 0.143 0.000 2.604 413 F HA 0.051 4.578 4.527 -0.000 0.000 0.298 413 F C 1.332 177.286 175.800 0.256 0.000 1.131 413 F CA 0.749 58.794 58.000 0.075 0.000 1.457 413 F CB 0.155 39.018 39.000 -0.228 0.000 1.095 413 F HN -0.058 nan 8.300 nan 0.000 0.574 414 L N -0.612 120.815 121.223 0.340 0.000 2.313 414 L HA -0.021 4.319 4.340 -0.000 0.000 0.214 414 L C 1.480 178.395 176.870 0.076 0.000 1.119 414 L CA 0.370 55.356 54.840 0.244 0.000 0.809 414 L CB -0.712 41.457 42.059 0.183 0.000 0.933 414 L HN 0.104 nan 8.230 nan 0.000 0.449 415 S N -0.365 115.373 115.700 0.064 0.000 2.603 415 S HA 0.344 4.814 4.470 -0.000 0.000 0.268 415 S C -0.354 174.195 174.600 -0.086 0.000 1.317 415 S CA -0.480 57.719 58.200 -0.002 0.000 1.012 415 S CB 1.879 65.101 63.200 0.036 0.000 0.926 415 S HN 0.268 nan 8.310 nan 0.000 0.539 416 Q N 0.635 120.373 119.800 -0.104 0.000 2.352 416 Q HA 0.416 4.756 4.340 -0.000 0.000 0.270 416 Q C -3.101 172.869 176.000 -0.049 0.000 1.006 416 Q CA -2.044 53.726 55.803 -0.055 0.000 0.880 416 Q CB 2.349 31.140 28.738 0.089 0.000 1.392 416 Q HN 0.522 nan 8.270 nan 0.000 0.401 417 P HA 0.158 nan 4.420 nan 0.000 0.282 417 P C -1.071 176.417 177.300 0.313 0.000 1.274 417 P CA 0.385 63.544 63.100 0.098 0.000 0.770 417 P CB 0.107 31.860 31.700 0.089 0.000 0.867 418 F N 1.684 121.656 119.950 0.037 0.000 2.394 418 F HA 0.184 4.711 4.527 -0.000 0.000 0.340 418 F C 2.285 178.106 175.800 0.035 0.000 1.105 418 F CA -0.694 57.327 58.000 0.036 0.000 1.124 418 F CB 1.709 40.737 39.000 0.047 0.000 1.145 418 F HN 0.382 nan 8.300 nan 0.000 0.505 419 Q N 1.912 121.808 119.800 0.159 0.000 2.152 419 Q HA -0.159 4.181 4.340 -0.000 0.000 0.206 419 Q C 1.614 177.669 176.000 0.092 0.000 0.985 419 Q CA 1.638 57.492 55.803 0.084 0.000 0.863 419 Q CB -0.009 28.742 28.738 0.023 0.000 0.904 419 Q HN 0.631 nan 8.270 nan 0.000 0.422 420 V N 0.091 120.076 119.914 0.118 0.000 2.970 420 V HA -0.068 4.052 4.120 -0.000 0.000 0.260 420 V C 1.336 177.543 176.094 0.188 0.000 1.100 420 V CA 1.423 63.797 62.300 0.124 0.000 1.122 420 V CB 0.040 31.925 31.823 0.104 0.000 0.721 420 V HN 0.478 nan 8.190 nan 0.000 0.483 421 A N -1.417 121.547 122.820 0.239 0.000 2.594 421 A HA 0.279 4.599 4.320 -0.000 0.000 0.287 421 A C 1.495 179.186 177.584 0.178 0.000 1.227 421 A CA -0.195 52.017 52.037 0.291 0.000 0.952 421 A CB -0.094 19.043 19.000 0.228 0.000 1.161 421 A HN 0.479 nan 8.150 nan 0.000 0.524 422 E N -0.386 119.860 120.200 0.076 0.000 2.118 422 E HA -0.150 4.200 4.350 -0.000 0.000 0.195 422 E C 1.626 178.168 176.600 -0.097 0.000 0.992 422 E CA 1.381 57.786 56.400 0.007 0.000 0.804 422 E CB -0.106 29.595 29.700 0.002 0.000 0.741 422 E HN 0.416 nan 8.360 nan 0.000 0.458 423 V N 0.401 120.176 119.914 -0.231 0.000 2.469 423 V HA -0.249 3.871 4.120 -0.000 0.000 0.251 423 V C 1.641 177.446 176.094 -0.482 0.000 1.064 423 V CA 1.718 63.749 62.300 -0.448 0.000 1.066 423 V CB -0.446 30.938 31.823 -0.732 0.000 0.667 423 V HN 0.248 nan 8.190 nan 0.000 0.461 424 F N 0.142 120.047 119.950 -0.076 0.000 2.446 424 F HA -0.021 4.506 4.527 0.000 0.000 0.292 424 F C 2.592 178.325 175.800 -0.112 0.000 1.096 424 F CA 1.093 59.032 58.000 -0.102 0.000 1.438 424 F CB -0.698 38.211 39.000 -0.152 0.000 1.107 424 F HN 0.212 nan 8.300 nan 0.000 0.546 425 T N -3.069 111.511 114.554 0.044 0.000 2.937 425 T HA 0.236 4.586 4.350 -0.000 0.000 0.260 425 T C 1.964 176.501 174.700 -0.271 0.000 1.051 425 T CA 0.759 62.837 62.100 -0.037 0.000 1.141 425 T CB -0.539 68.357 68.868 0.046 0.000 0.879 425 T HN 0.401 nan 8.240 nan 0.000 0.459 426 G N 1.438 110.102 108.800 -0.228 0.000 2.153 426 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.252 426 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.252 426 G C -0.115 174.553 174.900 -0.386 0.000 0.994 426 G CA 0.469 45.394 45.100 -0.291 0.000 0.698 426 G HN 0.861 nan 8.290 nan 0.000 0.521 427 H N -1.859 117.209 119.070 -0.004 0.000 2.731 427 H HA 0.665 5.221 4.556 -0.000 0.000 0.368 427 H C -0.087 175.241 175.328 -0.001 0.000 1.168 427 H CA -1.240 54.804 56.048 -0.007 0.000 1.181 427 H CB 1.614 31.364 29.762 -0.021 0.000 1.743 427 H HN 0.139 nan 8.280 nan 0.000 0.547 428 L N 1.675 122.983 121.223 0.140 0.000 2.410 428 L HA 0.242 4.582 4.340 -0.000 0.000 0.273 428 L C 0.897 177.817 176.870 0.084 0.000 1.152 428 L CA 0.355 55.242 54.840 0.078 0.000 0.855 428 L CB 0.403 42.493 42.059 0.051 0.000 1.129 428 L HN 0.855 nan 8.230 nan 0.000 0.463 429 G N 4.125 112.972 108.800 0.078 0.000 2.432 429 G HA2 0.231 4.191 3.960 -0.000 0.000 0.239 429 G HA3 0.231 4.191 3.960 -0.000 0.000 0.239 429 G C -0.438 174.500 174.900 0.064 0.000 1.291 429 G CA -0.434 44.723 45.100 0.095 0.000 0.863 429 G HN 0.472 nan 8.290 nan 0.000 0.560 430 K N 0.776 121.221 120.400 0.075 0.000 2.375 430 K HA 0.496 4.816 4.320 -0.000 0.000 0.249 430 K C -1.217 175.400 176.600 0.028 0.000 0.942 430 K CA -0.812 55.499 56.287 0.039 0.000 0.806 430 K CB 2.828 35.341 32.500 0.022 0.000 1.227 430 K HN 0.371 nan 8.250 nan 0.000 0.430 431 L N 1.970 123.198 121.223 0.007 0.000 2.372 431 L HA 0.382 4.722 4.340 -0.000 0.000 0.274 431 L C -1.248 175.621 176.870 -0.000 0.000 0.988 431 L CA -0.841 53.996 54.840 -0.006 0.000 0.833 431 L CB 1.691 43.741 42.059 -0.015 0.000 1.236 431 L HN 0.233 nan 8.230 nan 0.000 0.410 432 V N 6.147 126.059 119.914 -0.002 0.000 2.370 432 V HA 0.429 4.548 4.120 -0.000 0.000 0.279 432 V C -2.047 174.051 176.094 0.008 0.000 1.029 432 V CA -1.734 60.569 62.300 0.005 0.000 0.870 432 V CB 1.178 32.998 31.823 -0.005 0.000 0.984 432 V HN 0.643 nan 8.190 nan 0.000 0.451 433 P HA 0.092 nan 4.420 nan 0.000 0.269 433 P C 0.754 178.060 177.300 0.011 0.000 1.209 433 P CA -0.344 62.764 63.100 0.013 0.000 0.776 433 P CB 0.760 32.470 31.700 0.018 0.000 0.876 434 L N 3.900 125.122 121.223 -0.003 0.000 1.990 434 L HA -0.245 4.094 4.340 -0.000 0.000 0.213 434 L C 1.887 178.737 176.870 -0.035 0.000 1.072 434 L CA 2.072 56.892 54.840 -0.034 0.000 0.755 434 L CB -0.887 41.148 42.059 -0.041 0.000 0.889 434 L HN 0.255 nan 8.230 nan 0.000 0.432 435 K N -0.263 120.133 120.400 -0.007 0.000 2.103 435 K HA -0.222 4.098 4.320 -0.000 0.000 0.207 435 K C 2.035 178.659 176.600 0.039 0.000 1.048 435 K CA 2.023 58.316 56.287 0.010 0.000 0.930 435 K CB -0.299 32.214 32.500 0.022 0.000 0.716 435 K HN 0.562 nan 8.250 nan 0.000 0.444 436 E N -0.097 120.134 120.200 0.051 0.000 2.216 436 E HA -0.056 4.294 4.350 -0.000 0.000 0.192 436 E C 1.874 178.559 176.600 0.141 0.000 0.988 436 E CA 0.855 57.306 56.400 0.086 0.000 0.834 436 E CB 0.110 29.855 29.700 0.074 0.000 0.772 436 E HN 0.213 nan 8.360 nan 0.000 0.479 437 T N 1.128 115.757 114.554 0.124 0.000 2.674 437 T HA -0.129 4.221 4.350 -0.000 0.000 0.265 437 T C 1.909 176.794 174.700 0.310 0.000 1.039 437 T CA 0.968 63.197 62.100 0.214 0.000 1.150 437 T CB -0.205 68.731 68.868 0.113 0.000 0.864 437 T HN 0.102 nan 8.240 nan 0.000 0.427 438 I N 1.027 121.676 120.570 0.132 0.000 2.151 438 I HA -0.260 3.910 4.170 -0.000 0.000 0.243 438 I C 2.605 178.833 176.117 0.185 0.000 1.080 438 I CA 1.557 62.927 61.300 0.117 0.000 1.339 438 I CB -0.366 37.631 38.000 -0.006 0.000 1.039 438 I HN 0.218 nan 8.210 nan 0.000 0.409 439 K N 1.129 121.618 120.400 0.148 0.000 2.026 439 K HA -0.146 4.174 4.320 -0.000 0.000 0.208 439 K C 2.196 178.881 176.600 0.142 0.000 1.048 439 K CA 1.626 57.989 56.287 0.127 0.000 0.929 439 K CB -0.472 32.086 32.500 0.096 0.000 0.713 439 K HN 0.354 nan 8.250 nan 0.000 0.439 440 G N 0.338 109.237 108.800 0.166 0.000 2.476 440 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.218 440 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.218 440 G C 1.254 176.109 174.900 -0.074 0.000 1.164 440 G CA 0.962 46.078 45.100 0.027 0.000 0.768 440 G HN 0.312 nan 8.290 nan 0.000 0.560 441 F N 0.164 120.235 119.950 0.201 0.000 2.335 441 F HA 0.109 4.636 4.527 -0.000 0.000 0.296 441 F C 2.859 178.704 175.800 0.076 0.000 1.091 441 F CA 1.137 59.223 58.000 0.143 0.000 1.399 441 F CB -0.181 38.914 39.000 0.159 0.000 1.067 441 F HN 0.135 nan 8.300 nan 0.000 0.520 442 Q N 0.398 120.344 119.800 0.242 0.000 2.096 442 Q HA -0.276 4.064 4.340 -0.000 0.000 0.204 442 Q C 2.039 178.091 176.000 0.086 0.000 0.982 442 Q CA 1.955 57.841 55.803 0.139 0.000 0.850 442 Q CB -0.071 28.734 28.738 0.112 0.000 0.901 442 Q HN 0.503 nan 8.270 nan 0.000 0.422 443 Q N -0.325 119.522 119.800 0.079 0.000 2.123 443 Q HA -0.074 4.266 4.340 -0.000 0.000 0.199 443 Q C 2.098 178.108 176.000 0.016 0.000 0.966 443 Q CA 1.120 56.939 55.803 0.026 0.000 0.845 443 Q CB 0.076 28.862 28.738 0.080 0.000 0.907 443 Q HN 0.467 nan 8.270 nan 0.000 0.439 444 I N 0.593 121.203 120.570 0.066 0.000 2.315 444 I HA -0.267 3.903 4.170 -0.000 0.000 0.248 444 I C 2.122 178.236 176.117 -0.005 0.000 1.117 444 I CA 1.023 62.335 61.300 0.020 0.000 1.404 444 I CB -0.226 37.694 38.000 -0.134 0.000 1.071 444 I HN 0.210 nan 8.210 nan 0.000 0.419 445 L N 0.672 121.916 121.223 0.034 0.000 2.141 445 L HA -0.155 4.185 4.340 -0.000 0.000 0.209 445 L C 2.643 179.514 176.870 0.003 0.000 1.094 445 L CA 1.125 55.981 54.840 0.026 0.000 0.763 445 L CB -0.515 41.577 42.059 0.056 0.000 0.908 445 L HN 0.240 nan 8.230 nan 0.000 0.437 446 A N -0.618 122.199 122.820 -0.006 0.000 2.209 446 A HA 0.173 4.493 4.320 -0.000 0.000 0.212 446 A C 1.731 179.291 177.584 -0.041 0.000 1.158 446 A CA 0.886 52.909 52.037 -0.023 0.000 0.742 446 A CB -0.487 18.494 19.000 -0.032 0.000 0.790 446 A HN 0.554 nan 8.150 nan 0.000 0.472 447 G N -0.850 107.924 108.800 -0.044 0.000 2.141 447 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.242 447 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.242 447 G C 0.504 175.368 174.900 -0.061 0.000 0.982 447 G CA 0.542 45.619 45.100 -0.038 0.000 0.662 447 G HN 0.580 nan 8.290 nan 0.000 0.527 448 E N -1.068 119.033 120.200 -0.164 0.000 2.268 448 E HA -0.002 4.348 4.350 -0.000 0.000 0.195 448 E C 0.786 177.146 176.600 -0.399 0.000 0.995 448 E CA 0.931 57.126 56.400 -0.342 0.000 0.836 448 E CB -0.035 29.324 29.700 -0.567 0.000 0.763 448 E HN 0.797 nan 8.360 nan 0.000 0.491 449 Y N -0.403 119.921 120.300 0.040 0.000 2.715 449 Y HA 0.139 4.689 4.550 -0.000 0.000 0.255 449 Y C 0.604 176.427 175.900 -0.128 0.000 1.139 449 Y CA -0.640 57.396 58.100 -0.108 0.000 1.151 449 Y CB 0.604 39.086 38.460 0.036 0.000 1.201 449 Y HN -0.111 nan 8.280 nan 0.000 0.556 450 D N -0.021 120.431 120.400 0.088 0.000 2.309 450 D HA -0.178 4.462 4.640 -0.000 0.000 0.212 450 D C 1.948 178.300 176.300 0.087 0.000 0.968 450 D CA 1.369 55.407 54.000 0.063 0.000 0.882 450 D CB -0.129 40.704 40.800 0.055 0.000 0.918 450 D HN 0.639 nan 8.370 nan 0.000 0.503 451 H N -0.669 118.456 119.070 0.091 0.000 2.525 451 H HA 0.117 4.673 4.556 -0.000 0.000 0.275 451 H C 0.886 176.271 175.328 0.095 0.000 0.984 451 H CA -0.037 56.055 56.048 0.074 0.000 1.264 451 H CB -0.124 29.670 29.762 0.054 0.000 1.432 451 H HN 0.091 nan 8.280 nan 0.000 0.549 452 L N 3.428 124.473 121.223 -0.297 0.000 2.395 452 L HA 0.272 4.612 4.340 -0.000 0.000 0.269 452 L C -1.947 174.949 176.870 0.043 0.000 1.133 452 L CA -1.956 52.797 54.840 -0.144 0.000 0.812 452 L CB 0.980 42.896 42.059 -0.238 0.000 1.125 452 L HN 0.082 nan 8.230 nan 0.000 0.452 453 P HA 0.114 nan 4.420 nan 0.000 0.277 453 P C 0.082 177.477 177.300 0.158 0.000 1.240 453 P CA -0.380 62.758 63.100 0.063 0.000 0.798 453 P CB 1.131 32.843 31.700 0.019 0.000 0.979 454 E N 0.724 121.016 120.200 0.154 0.000 2.048 454 E HA -0.296 4.054 4.350 -0.000 0.000 0.202 454 E C 1.897 178.642 176.600 0.242 0.000 1.021 454 E CA 1.682 58.205 56.400 0.205 0.000 0.825 454 E CB -0.166 29.581 29.700 0.079 0.000 0.756 454 E HN 0.501 nan 8.360 nan 0.000 0.454 455 Q N 0.110 119.982 119.800 0.120 0.000 2.248 455 Q HA -0.193 4.147 4.340 -0.000 0.000 0.208 455 Q C 1.782 177.845 176.000 0.104 0.000 0.984 455 Q CA 1.613 57.480 55.803 0.107 0.000 0.875 455 Q CB -0.202 28.569 28.738 0.055 0.000 0.910 455 Q HN 0.316 nan 8.270 nan 0.000 0.433 456 A N -1.049 121.762 122.820 -0.014 0.000 2.070 456 A HA -0.106 4.214 4.320 -0.000 0.000 0.220 456 A C 1.376 178.766 177.584 -0.322 0.000 1.159 456 A CA 1.014 52.911 52.037 -0.234 0.000 0.656 456 A CB -0.537 18.193 19.000 -0.450 0.000 0.800 456 A HN 0.487 nan 8.150 nan 0.000 0.453 457 F N -2.718 117.235 119.950 0.005 0.000 2.754 457 F HA 0.203 4.730 4.527 -0.000 0.000 0.297 457 F C 0.797 176.704 175.800 0.179 0.000 1.122 457 F CA -0.309 57.726 58.000 0.057 0.000 1.400 457 F CB -0.115 38.893 39.000 0.014 0.000 1.117 457 F HN 0.268 nan 8.300 nan 0.000 0.587 458 Y N 1.209 121.607 120.300 0.163 0.000 2.346 458 Y HA 0.240 4.790 4.550 -0.000 0.000 0.330 458 Y C 0.843 176.758 175.900 0.025 0.000 1.178 458 Y CA -1.480 56.685 58.100 0.109 0.000 1.331 458 Y CB 0.363 38.878 38.460 0.093 0.000 1.253 458 Y HN 0.020 nan 8.280 nan 0.000 0.529 459 M N 5.233 124.444 119.600 -0.648 0.000 2.175 459 M HA -0.167 4.313 4.480 -0.000 0.000 0.192 459 M C -1.102 174.961 176.300 -0.395 0.000 0.473 459 M CA 1.088 56.023 55.300 -0.608 0.000 0.414 459 M CB -2.653 29.478 32.600 -0.782 0.000 1.069 459 M HN 0.445 nan 8.290 nan 0.000 0.933 460 V N -3.497 116.293 119.914 -0.205 0.000 3.155 460 V HA 1.071 5.191 4.120 -0.000 0.000 0.313 460 V C 0.803 176.841 176.094 -0.093 0.000 1.162 460 V CA -0.203 62.020 62.300 -0.129 0.000 1.048 460 V CB 1.548 33.346 31.823 -0.042 0.000 1.092 460 V HN 0.372 nan 8.190 nan 0.000 0.447 461 G N 0.293 109.065 108.800 -0.047 0.000 2.908 461 G HA2 0.424 4.384 3.960 -0.000 0.000 0.188 461 G HA3 0.424 4.384 3.960 -0.000 0.000 0.188 461 G C -2.142 172.765 174.900 0.011 0.000 1.903 461 G CA -0.126 44.950 45.100 -0.039 0.000 0.883 461 G HN 0.771 nan 8.290 nan 0.000 0.515 462 P HA 0.164 nan 4.420 nan 0.000 0.274 462 P C 0.708 178.166 177.300 0.263 0.000 1.246 462 P CA -0.609 62.598 63.100 0.178 0.000 0.795 462 P CB 1.458 33.211 31.700 0.089 0.000 1.006 463 I N 1.045 121.757 120.570 0.237 0.000 2.335 463 I HA -0.265 3.905 4.170 -0.000 0.000 0.251 463 I C 1.879 177.873 176.117 -0.205 0.000 1.129 463 I CA 1.766 62.966 61.300 -0.166 0.000 1.402 463 I CB -0.938 36.903 38.000 -0.266 0.000 1.069 463 I HN 0.302 nan 8.210 nan 0.000 0.424 464 E N 0.403 120.558 120.200 -0.075 0.000 2.118 464 E HA -0.243 4.107 4.350 -0.000 0.000 0.195 464 E C 2.119 178.654 176.600 -0.109 0.000 0.992 464 E CA 1.587 57.940 56.400 -0.078 0.000 0.804 464 E CB -0.284 29.403 29.700 -0.022 0.000 0.741 464 E HN 0.580 nan 8.360 nan 0.000 0.458 465 E N 0.013 120.165 120.200 -0.080 0.000 2.150 465 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 465 E C 2.038 178.537 176.600 -0.170 0.000 0.985 465 E CA 0.798 57.143 56.400 -0.091 0.000 0.814 465 E CB -0.115 29.556 29.700 -0.047 0.000 0.752 465 E HN 0.297 nan 8.360 nan 0.000 0.466 466 A N 1.041 123.707 122.820 -0.257 0.000 1.873 466 A HA -0.135 4.185 4.320 -0.000 0.000 0.215 466 A C 2.514 179.769 177.584 -0.548 0.000 1.186 466 A CA 1.119 52.859 52.037 -0.495 0.000 0.616 466 A CB -0.653 17.858 19.000 -0.815 0.000 0.823 466 A HN 0.094 nan 8.150 nan 0.000 0.442 467 V N 0.069 119.695 119.914 -0.479 0.000 2.233 467 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 467 V C 3.067 179.041 176.094 -0.201 0.000 1.050 467 V CA 2.132 64.233 62.300 -0.332 0.000 1.010 467 V CB -1.483 30.222 31.823 -0.196 0.000 0.637 467 V HN 0.605 nan 8.190 nan 0.000 0.444 468 A N -0.610 122.120 122.820 -0.151 0.000 1.986 468 A HA -0.297 4.023 4.320 -0.000 0.000 0.220 468 A C 2.357 179.878 177.584 -0.105 0.000 1.171 468 A CA 2.297 54.275 52.037 -0.099 0.000 0.640 468 A CB -0.553 18.403 19.000 -0.074 0.000 0.811 468 A HN 0.546 nan 8.150 nan 0.000 0.451 469 K N -0.584 119.727 120.400 -0.148 0.000 2.155 469 K HA 0.019 4.339 4.320 -0.000 0.000 0.203 469 K C 2.127 178.649 176.600 -0.131 0.000 1.052 469 K CA 0.916 57.124 56.287 -0.131 0.000 0.948 469 K CB -0.242 32.165 32.500 -0.155 0.000 0.728 469 K HN 0.404 nan 8.250 nan 0.000 0.448 470 A N 1.548 124.259 122.820 -0.183 0.000 1.898 470 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 470 A C 1.546 179.084 177.584 -0.076 0.000 1.181 470 A CA 1.755 53.702 52.037 -0.151 0.000 0.620 470 A CB -0.389 18.484 19.000 -0.211 0.000 0.819 470 A HN 0.308 nan 8.150 nan 0.000 0.442 471 D N -0.318 120.042 120.400 -0.066 0.000 2.117 471 D HA -0.135 4.504 4.640 -0.000 0.000 0.197 471 D C 1.809 178.093 176.300 -0.027 0.000 0.987 471 D CA 1.411 55.391 54.000 -0.032 0.000 0.829 471 D CB -0.259 40.524 40.800 -0.028 0.000 0.961 471 D HN 0.487 nan 8.370 nan 0.000 0.460 472 K N 0.170 120.549 120.400 -0.035 0.000 2.283 472 K HA 0.033 4.353 4.320 -0.000 0.000 0.202 472 K C 1.689 178.280 176.600 -0.016 0.000 1.048 472 K CA 0.189 56.462 56.287 -0.023 0.000 0.948 472 K CB -0.006 32.479 32.500 -0.024 0.000 0.742 472 K HN 0.103 nan 8.250 nan 0.000 0.458 473 L N 1.134 122.344 121.223 -0.022 0.000 2.675 473 L HA 0.064 4.404 4.340 -0.000 0.000 0.239 473 L C 0.551 177.418 176.870 -0.005 0.000 1.151 473 L CA -0.096 54.737 54.840 -0.012 0.000 0.905 473 L CB -0.810 41.239 42.059 -0.017 0.000 1.057 473 L HN 0.223 nan 8.230 nan 0.000 0.435 474 A N 0.000 122.817 122.820 -0.005 0.000 2.254 474 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 474 A CA 0.000 52.037 52.037 0.000 0.000 0.836 474 A CB 0.000 19.001 19.000 0.002 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486