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 2ck3_1_D DATA FIRST_RESID 9 DATA SEQUENCE TTGRIVAVIG AVVDVQFDEG LPPILNALEV QGRETRLVLE VAQHLGESTV DATA SEQUENCE RTIAMDGTEG LVRGQKVLDS GAPIRIPVGP ETLGRIMNVI GEPIDERGPI DATA SEQUENCE KTKQFAAIHA EAPEFVEMSV EQEILVTGIK VVDLLAPYAK GGKIGLFGGA DATA SEQUENCE GVGKTVLIME LINNVAKAHG GYSVFAGVGE RTREGNDLYH EMIESGVINL DATA SEQUENCE KDATSKVALV YGQMNEPPGA RARVALTGLT VAEYFRDQEG QDVLLFIDNI DATA SEQUENCE FRFTQAGSEV SALLGRIPSA VGYQPTLATD MGTMQERITT TKKGSITSVQ DATA SEQUENCE AIYVPADDLT DPAPATTFAH LDATTVLSRA IAELGIYPAV DPLDSTSRIM DATA SEQUENCE DPNIVGSEHY DVARGVQKIL QDYKSLQDII AILGMDELSE EDKLTVSRAR DATA SEQUENCE KIQRFLSQPF QVAEVFTGHL GKLVPLKETI KGFQQILAGE YDHLPEQAFY DATA SEQUENCE MVGPIEEAVA KADKLAE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.851 174.700 0.252 0.000 1.109 9 T CA 0.000 62.188 62.100 0.146 0.000 1.349 9 T CB 0.000 68.948 68.868 0.133 0.000 0.612 10 T N 1.572 116.253 114.554 0.211 0.000 2.824 10 T HA 0.804 5.154 4.350 0.000 0.000 0.282 10 T C 0.433 174.971 174.700 -0.270 0.000 0.993 10 T CA -0.445 61.680 62.100 0.042 0.000 0.967 10 T CB 1.614 70.472 68.868 -0.017 0.000 0.960 10 T HN 1.134 nan 8.240 nan 0.000 0.441 11 G N 1.770 110.109 108.800 -0.768 0.000 2.644 11 G HA2 0.769 4.729 3.960 0.000 0.000 0.307 11 G HA3 0.769 4.729 3.960 0.000 0.000 0.307 11 G C -1.191 173.363 174.900 -0.577 0.000 1.250 11 G CA -1.004 43.337 45.100 -1.266 0.000 0.996 11 G HN 0.606 nan 8.290 nan 0.000 0.489 12 R N -0.473 119.759 120.500 -0.447 0.000 2.621 12 R HA 0.390 4.730 4.340 0.000 0.000 0.292 12 R C -0.379 175.809 176.300 -0.186 0.000 0.969 12 R CA -0.799 55.158 56.100 -0.240 0.000 0.887 12 R CB 2.512 32.714 30.300 -0.163 0.000 1.180 12 R HN 0.382 nan 8.270 nan 0.000 0.450 13 I N 3.175 123.671 120.570 -0.124 0.000 2.668 13 I HA -0.114 4.056 4.170 0.000 0.000 0.285 13 I C 1.477 177.557 176.117 -0.062 0.000 1.168 13 I CA 0.293 61.547 61.300 -0.076 0.000 1.424 13 I CB 0.758 38.728 38.000 -0.051 0.000 1.377 13 I HN 0.588 nan 8.210 nan 0.000 0.560 14 V N 2.931 122.818 119.914 -0.046 0.000 3.572 14 V HA 0.584 4.704 4.120 0.000 0.000 0.260 14 V C 0.522 176.603 176.094 -0.021 0.000 1.324 14 V CA 0.368 62.647 62.300 -0.034 0.000 1.068 14 V CB 0.260 32.064 31.823 -0.031 0.000 0.837 14 V HN 0.730 nan 8.190 nan 0.000 0.450 15 A N -0.180 122.630 122.820 -0.016 0.000 2.574 15 A HA 0.824 5.144 4.320 0.000 0.000 0.297 15 A C -1.306 176.274 177.584 -0.007 0.000 1.062 15 A CA -0.401 51.631 52.037 -0.010 0.000 0.686 15 A CB 2.265 21.262 19.000 -0.005 0.000 1.285 15 A HN 0.583 nan 8.150 nan 0.000 0.403 16 V N 2.468 122.378 119.914 -0.006 0.000 2.524 16 V HA 0.518 4.638 4.120 0.000 0.000 0.297 16 V C -0.906 175.186 176.094 -0.003 0.000 1.035 16 V CA -0.056 62.241 62.300 -0.005 0.000 0.867 16 V CB 1.318 33.138 31.823 -0.006 0.000 1.004 16 V HN 0.714 nan 8.190 nan 0.000 0.426 17 I N 4.285 124.854 120.570 -0.002 0.000 2.517 17 I HA 0.622 4.792 4.170 0.000 0.000 0.280 17 I C 1.003 177.118 176.117 -0.003 0.000 1.061 17 I CA -0.072 61.226 61.300 -0.003 0.000 1.091 17 I CB 1.499 39.498 38.000 -0.002 0.000 1.205 17 I HN 0.836 nan 8.210 nan 0.000 0.459 18 G N 4.720 113.518 108.800 -0.003 0.000 2.622 18 G HA2 -0.375 3.585 3.960 0.000 0.000 0.307 18 G HA3 -0.375 3.585 3.960 0.000 0.000 0.307 18 G C 0.908 175.806 174.900 -0.003 0.000 1.226 18 G CA 0.611 45.709 45.100 -0.004 0.000 0.997 18 G HN 0.868 nan 8.290 nan 0.000 0.551 19 A N -0.745 122.072 122.820 -0.004 0.000 2.235 19 A HA 0.544 4.864 4.320 0.000 0.000 0.208 19 A C 0.949 178.533 177.584 0.000 0.000 1.172 19 A CA 1.623 53.659 52.037 -0.003 0.000 0.786 19 A CB -0.037 18.959 19.000 -0.007 0.000 0.804 19 A HN 1.379 nan 8.150 nan 0.000 0.479 20 V N 0.998 120.912 119.914 0.000 0.000 2.370 20 V HA 0.396 4.516 4.120 0.000 0.000 0.283 20 V C -0.625 175.473 176.094 0.006 0.000 1.023 20 V CA -0.427 61.875 62.300 0.004 0.000 0.857 20 V CB 1.404 33.228 31.823 0.002 0.000 0.985 20 V HN 0.073 nan 8.190 nan 0.000 0.443 21 V N 3.972 123.893 119.914 0.012 0.000 2.531 21 V HA 0.473 4.593 4.120 0.000 0.000 0.301 21 V C -0.776 175.330 176.094 0.019 0.000 1.034 21 V CA -0.798 61.509 62.300 0.011 0.000 0.865 21 V CB 2.030 33.860 31.823 0.011 0.000 0.995 21 V HN 0.780 nan 8.190 nan 0.000 0.424 22 D N 3.280 123.688 120.400 0.012 0.000 2.198 22 D HA 0.589 5.229 4.640 0.000 0.000 0.245 22 D C -0.498 175.807 176.300 0.010 0.000 1.079 22 D CA -0.013 53.998 54.000 0.018 0.000 0.854 22 D CB 2.176 42.982 40.800 0.011 0.000 1.148 22 D HN 0.286 nan 8.370 nan 0.000 0.456 23 V N 2.226 122.160 119.914 0.033 0.000 2.531 23 V HA 0.309 4.429 4.120 0.000 0.000 0.301 23 V C -0.133 175.972 176.094 0.019 0.000 1.034 23 V CA -0.933 61.366 62.300 -0.003 0.000 0.865 23 V CB 1.888 33.737 31.823 0.043 0.000 0.995 23 V HN 0.390 nan 8.190 nan 0.000 0.424 24 Q N 2.815 122.557 119.800 -0.096 0.000 2.271 24 Q HA 0.624 4.964 4.340 0.000 0.000 0.258 24 Q C -1.895 173.988 176.000 -0.194 0.000 0.936 24 Q CA -0.474 55.298 55.803 -0.052 0.000 0.909 24 Q CB 1.352 30.057 28.738 -0.055 0.000 1.253 24 Q HN 0.645 nan 8.270 nan 0.000 0.440 25 F N 2.465 122.381 119.950 -0.056 0.000 2.449 25 F HA 0.219 4.746 4.527 0.000 0.000 0.342 25 F C 0.569 176.343 175.800 -0.044 0.000 1.127 25 F CA -0.726 57.243 58.000 -0.050 0.000 0.975 25 F CB 1.714 40.676 39.000 -0.063 0.000 1.146 25 F HN 0.631 nan 8.300 nan 0.000 0.444 26 D N 1.256 121.710 120.400 0.090 0.000 2.224 26 D HA -0.072 4.568 4.640 0.000 0.000 0.205 26 D C 1.214 177.554 176.300 0.067 0.000 0.965 26 D CA 1.328 55.359 54.000 0.053 0.000 0.852 26 D CB 0.488 41.297 40.800 0.016 0.000 0.947 26 D HN 0.542 nan 8.370 nan 0.000 0.494 27 E N -0.544 119.719 120.200 0.106 0.000 3.788 27 E HA 0.250 4.600 4.350 0.000 0.000 0.252 27 E C 0.838 177.472 176.600 0.057 0.000 1.028 27 E CA -0.189 56.253 56.400 0.070 0.000 0.965 27 E CB -0.746 28.990 29.700 0.059 0.000 2.914 27 E HN -0.046 nan 8.360 nan 0.000 0.544 28 G N 2.537 111.364 108.800 0.045 0.000 2.469 28 G HA2 0.269 4.230 3.960 0.000 0.000 0.293 28 G HA3 0.269 4.230 3.960 0.000 0.000 0.293 28 G C -0.248 174.538 174.900 -0.190 0.000 0.982 28 G CA -0.048 45.029 45.100 -0.038 0.000 1.401 28 G HN -0.051 nan 8.290 nan 0.000 0.453 29 L N 5.831 126.922 121.223 -0.219 0.000 2.418 29 L HA 0.305 4.645 4.340 0.000 0.000 0.274 29 L C -1.473 175.150 176.870 -0.411 0.000 1.135 29 L CA -1.593 52.993 54.840 -0.423 0.000 0.870 29 L CB 0.689 42.570 42.059 -0.297 0.000 1.154 29 L HN 0.311 nan 8.230 nan 0.000 0.462 30 P HA 0.245 nan 4.420 nan 0.000 0.276 30 P C -2.741 174.531 177.300 -0.046 0.000 1.230 30 P CA -1.405 61.500 63.100 -0.325 0.000 0.776 30 P CB 0.243 31.701 31.700 -0.404 0.000 0.888 31 P HA 0.150 nan 4.420 nan 0.000 0.272 31 P C 0.455 177.771 177.300 0.025 0.000 1.230 31 P CA -0.164 62.966 63.100 0.050 0.000 0.788 31 P CB 0.706 32.386 31.700 -0.034 0.000 0.949 32 I N 1.934 122.455 120.570 -0.081 0.000 2.815 32 I HA -0.155 4.015 4.170 0.000 0.000 0.291 32 I C 1.621 177.667 176.117 -0.119 0.000 1.209 32 I CA 0.694 61.936 61.300 -0.096 0.000 1.431 32 I CB -0.347 37.553 38.000 -0.167 0.000 1.351 32 I HN 0.446 nan 8.210 nan 0.000 0.585 33 L N 1.663 122.805 121.223 -0.135 0.000 4.110 33 L HA -0.250 4.090 4.340 0.000 0.000 0.404 33 L C 0.245 177.040 176.870 -0.125 0.000 0.763 33 L CA 0.107 54.804 54.840 -0.238 0.000 2.413 33 L CB -1.518 40.294 42.059 -0.412 0.000 1.244 33 L HN 0.687 nan 8.230 nan 0.000 0.614 34 N N 1.163 119.825 118.700 -0.064 0.000 2.479 34 N HA 0.466 5.206 4.740 0.000 0.000 0.257 34 N C 0.249 175.760 175.510 0.001 0.000 1.232 34 N CA 0.940 53.972 53.050 -0.030 0.000 0.920 34 N CB 0.852 39.315 38.487 -0.040 0.000 1.105 34 N HN 0.306 nan 8.380 nan 0.000 0.444 35 A N 2.547 125.377 122.820 0.016 0.000 2.289 35 A HA 0.545 4.865 4.320 0.000 0.000 0.298 35 A C -0.397 177.207 177.584 0.033 0.000 1.208 35 A CA -0.534 51.522 52.037 0.032 0.000 0.845 35 A CB 0.014 19.035 19.000 0.035 0.000 1.125 35 A HN 0.612 nan 8.150 nan 0.000 0.517 36 L N 2.185 123.438 121.223 0.050 0.000 2.334 36 L HA 0.505 4.845 4.340 0.000 0.000 0.276 36 L C -0.265 176.638 176.870 0.055 0.000 1.014 36 L CA -0.765 54.119 54.840 0.074 0.000 0.815 36 L CB 1.722 43.853 42.059 0.120 0.000 1.268 36 L HN 0.589 nan 8.230 nan 0.000 0.428 37 E N 2.711 122.942 120.200 0.051 0.000 2.113 37 E HA 0.287 4.637 4.350 0.000 0.000 0.273 37 E C -0.777 175.837 176.600 0.023 0.000 0.924 37 E CA -0.602 55.816 56.400 0.030 0.000 0.764 37 E CB 2.365 32.076 29.700 0.019 0.000 1.104 37 E HN 0.201 nan 8.360 nan 0.000 0.406 38 V N 4.096 124.019 119.914 0.015 0.000 2.521 38 V HA -0.025 4.095 4.120 0.000 0.000 0.286 38 V C 0.753 176.846 176.094 -0.003 0.000 1.034 38 V CA -0.301 62.000 62.300 0.002 0.000 1.045 38 V CB 0.606 32.430 31.823 0.000 0.000 0.974 38 V HN 0.478 nan 8.190 nan 0.000 0.480 39 Q N 2.447 122.240 119.800 -0.011 0.000 2.317 39 Q HA 0.407 4.747 4.340 0.000 0.000 0.229 39 Q C 1.238 177.230 176.000 -0.012 0.000 0.984 39 Q CA 0.449 56.245 55.803 -0.012 0.000 0.911 39 Q CB 0.875 29.603 28.738 -0.017 0.000 1.217 39 Q HN 1.162 nan 8.270 nan 0.000 0.501 40 G N 1.399 110.192 108.800 -0.010 0.000 2.221 40 G HA2 -0.234 3.726 3.960 0.000 0.000 0.265 40 G HA3 -0.234 3.726 3.960 0.000 0.000 0.265 40 G C -0.207 174.689 174.900 -0.007 0.000 1.041 40 G CA 0.087 45.181 45.100 -0.010 0.000 0.807 40 G HN 0.275 nan 8.290 nan 0.000 0.502 41 R N -0.474 120.023 120.500 -0.005 0.000 2.589 41 R HA 0.452 4.792 4.340 0.000 0.000 0.293 41 R C 0.978 177.277 176.300 -0.001 0.000 0.963 41 R CA -0.524 55.574 56.100 -0.003 0.000 0.905 41 R CB 1.379 31.679 30.300 -0.001 0.000 1.144 41 R HN 0.411 nan 8.270 nan 0.000 0.459 42 E N 1.095 121.295 120.200 -0.001 0.000 2.047 42 E HA -0.097 4.253 4.350 0.000 0.000 0.191 42 E C -0.078 176.523 176.600 0.002 0.000 0.987 42 E CA 1.225 57.625 56.400 0.000 0.000 0.799 42 E CB 0.344 30.044 29.700 0.000 0.000 0.752 42 E HN 0.658 nan 8.360 nan 0.000 0.449 43 T N -1.629 112.927 114.554 0.003 0.000 2.888 43 T HA 0.356 4.706 4.350 0.000 0.000 0.284 43 T C -0.208 174.496 174.700 0.006 0.000 1.017 43 T CA -0.980 61.123 62.100 0.004 0.000 1.022 43 T CB 1.752 70.623 68.868 0.005 0.000 1.013 43 T HN 0.073 nan 8.240 nan 0.000 0.465 44 R N 1.295 121.800 120.500 0.007 0.000 2.486 44 R HA 0.196 4.536 4.340 0.000 0.000 0.303 44 R C -0.948 175.359 176.300 0.011 0.000 0.958 44 R CA -0.347 55.758 56.100 0.008 0.000 1.077 44 R CB -0.168 30.139 30.300 0.010 0.000 0.921 44 R HN 0.583 nan 8.270 nan 0.000 0.406 45 L N 6.195 127.424 121.223 0.011 0.000 2.316 45 L HA 0.335 4.675 4.340 0.000 0.000 0.280 45 L C -1.262 175.618 176.870 0.017 0.000 1.006 45 L CA -0.508 54.340 54.840 0.013 0.000 0.836 45 L CB 1.840 43.905 42.059 0.009 0.000 1.221 45 L HN 0.326 nan 8.230 nan 0.000 0.418 46 V N 6.330 126.257 119.914 0.022 0.000 2.439 46 V HA 0.442 4.562 4.120 0.000 0.000 0.282 46 V C 0.112 176.226 176.094 0.032 0.000 1.039 46 V CA -0.502 61.815 62.300 0.029 0.000 0.913 46 V CB 1.516 33.358 31.823 0.032 0.000 0.983 46 V HN 0.597 nan 8.190 nan 0.000 0.460 47 L N 4.319 125.566 121.223 0.039 0.000 2.307 47 L HA 0.596 4.936 4.340 0.000 0.000 0.284 47 L C 0.092 176.991 176.870 0.048 0.000 1.023 47 L CA -0.331 54.535 54.840 0.043 0.000 0.810 47 L CB 1.637 43.725 42.059 0.048 0.000 1.231 47 L HN 0.629 nan 8.230 nan 0.000 0.423 48 E N 2.243 122.471 120.200 0.047 0.000 2.156 48 E HA 0.331 4.681 4.350 0.000 0.000 0.279 48 E C -1.046 175.574 176.600 0.034 0.000 0.965 48 E CA -0.799 55.628 56.400 0.046 0.000 0.789 48 E CB 1.850 31.591 29.700 0.068 0.000 1.098 48 E HN 0.336 nan 8.360 nan 0.000 0.397 49 V N 4.281 124.209 119.914 0.024 0.000 2.485 49 V HA 0.084 4.204 4.120 0.000 0.000 0.287 49 V C 0.888 176.989 176.094 0.012 0.000 1.022 49 V CA 0.832 63.151 62.300 0.032 0.000 1.067 49 V CB 0.724 32.570 31.823 0.039 0.000 0.967 49 V HN 0.882 nan 8.190 nan 0.000 0.479 50 A N 4.337 127.174 122.820 0.028 0.000 2.013 50 A HA 0.333 4.653 4.320 0.000 0.000 0.204 50 A C 0.712 178.305 177.584 0.016 0.000 1.262 50 A CA 0.240 52.283 52.037 0.009 0.000 0.800 50 A CB 0.378 19.384 19.000 0.010 0.000 0.909 50 A HN 0.759 nan 8.150 nan 0.000 0.472 51 Q N -0.977 118.861 119.800 0.064 0.000 2.418 51 Q HA 0.379 4.719 4.340 0.000 0.000 0.282 51 Q C -1.684 174.455 176.000 0.232 0.000 1.044 51 Q CA -0.576 55.277 55.803 0.084 0.000 0.813 51 Q CB 1.842 30.613 28.738 0.055 0.000 1.428 51 Q HN 0.617 nan 8.270 nan 0.000 0.402 52 H N 1.924 120.986 119.070 -0.013 0.000 2.597 52 H HA 0.242 4.798 4.556 0.000 0.000 0.303 52 H C 0.514 175.843 175.328 0.001 0.000 1.057 52 H CA -0.285 55.759 56.048 -0.007 0.000 1.261 52 H CB 1.079 30.830 29.762 -0.018 0.000 1.397 52 H HN 0.437 nan 8.280 nan 0.000 0.461 53 L N 2.824 124.104 121.223 0.095 0.000 2.418 53 L HA 0.140 4.480 4.340 0.000 0.000 0.218 53 L C 1.226 178.123 176.870 0.044 0.000 1.125 53 L CA 0.529 55.403 54.840 0.056 0.000 0.835 53 L CB -0.051 42.030 42.059 0.036 0.000 0.953 53 L HN 0.897 nan 8.230 nan 0.000 0.454 54 G N 0.247 109.074 108.800 0.043 0.000 2.661 54 G HA2 -0.181 3.779 3.960 0.000 0.000 0.685 54 G HA3 -0.181 3.779 3.960 0.000 0.000 0.685 54 G C -0.010 174.898 174.900 0.014 0.000 1.298 54 G CA -0.406 44.712 45.100 0.029 0.000 0.855 54 G HN 0.337 nan 8.290 nan 0.000 0.560 55 E N -1.057 119.150 120.200 0.011 0.000 2.476 55 E HA -0.190 4.160 4.350 0.000 0.000 0.251 55 E C 0.986 177.590 176.600 0.007 0.000 1.130 55 E CA 1.063 57.467 56.400 0.008 0.000 0.736 55 E CB -1.589 28.115 29.700 0.007 0.000 1.298 55 E HN 2.027 nan 8.360 nan 0.000 0.400 56 S N -1.820 113.881 115.700 0.000 0.000 3.521 56 S HA -0.207 4.263 4.470 0.000 0.000 0.328 56 S C 0.095 174.708 174.600 0.023 0.000 1.165 56 S CA 1.506 59.708 58.200 0.003 0.000 0.941 56 S CB -0.882 62.335 63.200 0.028 0.000 0.951 56 S HN 0.461 nan 8.310 nan 0.000 0.539 57 T N 1.535 116.089 114.554 -0.001 0.000 2.807 57 T HA 0.606 4.956 4.350 0.000 0.000 0.279 57 T C 0.213 174.908 174.700 -0.009 0.000 0.993 57 T CA -0.335 61.778 62.100 0.021 0.000 0.970 57 T CB 1.768 70.647 68.868 0.018 0.000 0.950 57 T HN 0.473 nan 8.240 nan 0.000 0.441 58 V N 1.700 121.629 119.914 0.025 0.000 2.630 58 V HA 0.757 4.877 4.120 0.000 0.000 0.305 58 V C -0.160 175.971 176.094 0.061 0.000 1.046 58 V CA -1.306 61.006 62.300 0.019 0.000 0.934 58 V CB 1.568 33.384 31.823 -0.011 0.000 1.003 58 V HN 0.852 nan 8.190 nan 0.000 0.451 59 R N 2.407 122.946 120.500 0.065 0.000 2.346 59 R HA 0.729 5.069 4.340 0.000 0.000 0.311 59 R C -0.178 176.153 176.300 0.052 0.000 0.983 59 R CA 0.288 56.419 56.100 0.051 0.000 0.880 59 R CB 1.545 31.869 30.300 0.040 0.000 1.100 59 R HN 1.172 nan 8.270 nan 0.000 0.453 60 T N 2.096 116.676 114.554 0.043 0.000 2.916 60 T HA 0.534 4.884 4.350 0.000 0.000 0.292 60 T C 0.001 174.717 174.700 0.028 0.000 1.055 60 T CA -1.028 61.097 62.100 0.041 0.000 1.009 60 T CB 1.134 70.034 68.868 0.054 0.000 1.118 60 T HN 0.598 nan 8.240 nan 0.000 0.497 61 I N 0.276 120.862 120.570 0.026 0.000 2.378 61 I HA 0.825 4.995 4.170 0.000 0.000 0.291 61 I C 0.141 176.272 176.117 0.022 0.000 0.992 61 I CA -1.379 59.931 61.300 0.017 0.000 1.154 61 I CB 1.219 39.224 38.000 0.009 0.000 1.315 61 I HN 0.883 nan 8.210 nan 0.000 0.448 62 A N 6.957 129.787 122.820 0.016 0.000 2.388 62 A HA 0.463 4.783 4.320 0.000 0.000 0.257 62 A C 0.815 178.409 177.584 0.017 0.000 1.095 62 A CA -0.511 51.536 52.037 0.017 0.000 0.791 62 A CB 0.643 19.650 19.000 0.012 0.000 1.029 62 A HN 0.891 nan 8.150 nan 0.000 0.489 63 M N 0.668 120.281 119.600 0.021 0.000 2.502 63 M HA 0.157 4.637 4.480 0.000 0.000 0.243 63 M C -0.029 176.282 176.300 0.018 0.000 1.130 63 M CA 0.703 56.017 55.300 0.022 0.000 1.055 63 M CB -0.885 31.732 32.600 0.028 0.000 1.457 63 M HN 0.793 nan 8.290 nan 0.000 0.488 64 D N -1.142 119.267 120.400 0.015 0.000 2.752 64 D HA 0.472 5.112 4.640 0.000 0.000 0.313 64 D C -0.474 175.832 176.300 0.009 0.000 1.225 64 D CA -0.214 53.793 54.000 0.013 0.000 0.976 64 D CB 1.357 42.165 40.800 0.013 0.000 1.443 64 D HN 0.105 nan 8.370 nan 0.000 0.515 65 G N -0.939 107.865 108.800 0.007 0.000 2.484 65 G HA2 0.307 4.268 3.960 0.000 0.000 0.235 65 G HA3 0.307 4.268 3.960 0.000 0.000 0.235 65 G C 0.854 175.756 174.900 0.004 0.000 1.282 65 G CA 0.616 45.719 45.100 0.005 0.000 0.857 65 G HN 0.411 nan 8.290 nan 0.000 0.571 66 T N -1.471 113.084 114.554 0.002 0.000 3.069 66 T HA 0.127 4.477 4.350 0.000 0.000 0.252 66 T C 0.786 175.486 174.700 -0.001 0.000 1.053 66 T CA 0.108 62.209 62.100 0.001 0.000 0.964 66 T CB 0.029 68.897 68.868 0.000 0.000 1.005 66 T HN 0.651 nan 8.240 nan 0.000 0.532 67 E N 2.067 122.267 120.200 -0.001 0.000 2.465 67 E HA 0.266 4.616 4.350 0.000 0.000 0.260 67 E C 1.152 177.751 176.600 -0.002 0.000 0.980 67 E CA 0.773 57.172 56.400 -0.001 0.000 0.927 67 E CB 0.034 29.734 29.700 -0.001 0.000 0.934 67 E HN 0.501 nan 8.360 nan 0.000 0.459 68 G N 2.852 111.650 108.800 -0.004 0.000 2.195 68 G HA2 -0.261 3.699 3.960 0.000 0.000 0.246 68 G HA3 -0.261 3.699 3.960 0.000 0.000 0.246 68 G C 0.307 175.203 174.900 -0.007 0.000 0.984 68 G CA 0.114 45.211 45.100 -0.005 0.000 0.633 68 G HN 0.489 nan 8.290 nan 0.000 0.525 69 L N 0.939 122.157 121.223 -0.008 0.000 2.456 69 L HA 0.520 4.860 4.340 0.000 0.000 0.272 69 L C 0.518 177.381 176.870 -0.013 0.000 1.189 69 L CA -0.338 54.495 54.840 -0.011 0.000 0.846 69 L CB 1.247 43.301 42.059 -0.010 0.000 1.111 69 L HN 0.001 nan 8.230 nan 0.000 0.475 70 V N 2.965 122.869 119.914 -0.018 0.000 2.656 70 V HA 0.360 4.480 4.120 0.000 0.000 0.307 70 V C -0.023 176.055 176.094 -0.026 0.000 1.051 70 V CA -0.936 61.352 62.300 -0.019 0.000 0.893 70 V CB 1.990 33.801 31.823 -0.019 0.000 0.999 70 V HN 0.663 nan 8.190 nan 0.000 0.426 71 R N 2.529 123.014 120.500 -0.025 0.000 2.458 71 R HA 0.431 4.771 4.340 0.000 0.000 0.303 71 R C 1.227 177.506 176.300 -0.036 0.000 1.013 71 R CA 0.993 57.075 56.100 -0.030 0.000 1.026 71 R CB 0.054 30.339 30.300 -0.025 0.000 0.948 71 R HN 1.197 nan 8.270 nan 0.000 0.417 72 G N 1.974 110.744 108.800 -0.048 0.000 2.253 72 G HA2 -0.276 3.685 3.960 0.000 0.000 0.209 72 G HA3 -0.276 3.685 3.960 0.000 0.000 0.209 72 G C 0.166 175.029 174.900 -0.061 0.000 0.997 72 G CA -0.390 44.678 45.100 -0.054 0.000 0.640 72 G HN 0.572 nan 8.290 nan 0.000 0.496 73 Q N 1.479 121.246 119.800 -0.055 0.000 2.330 73 Q HA 0.413 4.753 4.340 0.000 0.000 0.279 73 Q C 0.303 176.258 176.000 -0.076 0.000 1.024 73 Q CA 0.306 56.077 55.803 -0.053 0.000 0.900 73 Q CB 0.298 29.012 28.738 -0.040 0.000 1.221 73 Q HN 0.467 nan 8.270 nan 0.000 0.396 74 K N 1.766 122.123 120.400 -0.071 0.000 2.270 74 K HA 0.340 4.660 4.320 0.000 0.000 0.276 74 K C -1.077 175.474 176.600 -0.083 0.000 1.023 74 K CA -0.425 55.808 56.287 -0.091 0.000 0.955 74 K CB 1.132 33.592 32.500 -0.067 0.000 0.975 74 K HN 0.287 nan 8.250 nan 0.000 0.471 75 V N 4.083 123.925 119.914 -0.120 0.000 2.577 75 V HA 0.300 4.420 4.120 0.000 0.000 0.303 75 V C -0.561 175.534 176.094 0.002 0.000 1.042 75 V CA -0.917 61.347 62.300 -0.059 0.000 0.872 75 V CB 1.426 33.212 31.823 -0.061 0.000 0.998 75 V HN 0.602 nan 8.190 nan 0.000 0.423 76 L N 3.087 124.347 121.223 0.060 0.000 2.307 76 L HA 0.518 4.858 4.340 0.000 0.000 0.282 76 L C -0.132 176.827 176.870 0.149 0.000 1.051 76 L CA -0.466 54.438 54.840 0.106 0.000 0.804 76 L CB 1.572 43.663 42.059 0.052 0.000 1.197 76 L HN 0.638 nan 8.230 nan 0.000 0.431 77 D N 0.961 121.471 120.400 0.183 0.000 2.317 77 D HA 0.031 4.672 4.640 0.000 0.000 0.252 77 D C 1.089 177.410 176.300 0.035 0.000 1.174 77 D CA -0.128 53.923 54.000 0.085 0.000 0.866 77 D CB 1.405 42.200 40.800 -0.007 0.000 1.127 77 D HN 0.518 nan 8.370 nan 0.000 0.467 78 S N 2.722 118.432 115.700 0.017 0.000 2.481 78 S HA 0.095 4.565 4.470 0.000 0.000 0.231 78 S C 1.759 176.349 174.600 -0.017 0.000 0.996 78 S CA 0.456 58.654 58.200 -0.003 0.000 0.942 78 S CB -0.321 62.873 63.200 -0.009 0.000 0.768 78 S HN 0.977 nan 8.310 nan 0.000 0.520 79 G N 0.307 109.095 108.800 -0.021 0.000 2.143 79 G HA2 0.113 4.073 3.960 0.000 0.000 0.249 79 G HA3 0.113 4.073 3.960 0.000 0.000 0.249 79 G C 0.118 175.003 174.900 -0.026 0.000 0.981 79 G CA -0.081 45.002 45.100 -0.029 0.000 0.665 79 G HN 1.622 nan 8.290 nan 0.000 0.528 80 A N -1.233 121.575 122.820 -0.020 0.000 2.608 80 A HA 0.879 5.199 4.320 0.000 0.000 0.292 80 A C -2.936 174.650 177.584 0.004 0.000 1.066 80 A CA -0.671 51.359 52.037 -0.011 0.000 0.676 80 A CB 1.077 20.070 19.000 -0.012 0.000 1.277 80 A HN 0.088 nan 8.150 nan 0.000 0.413 81 P HA 0.292 nan 4.420 nan 0.000 0.272 81 P C -0.295 177.053 177.300 0.080 0.000 1.254 81 P CA -0.210 62.931 63.100 0.069 0.000 0.795 81 P CB 0.229 32.007 31.700 0.131 0.000 1.022 82 I N 0.780 121.419 120.570 0.115 0.000 2.741 82 I HA -0.068 4.102 4.170 0.000 0.000 0.288 82 I C 1.078 177.237 176.117 0.070 0.000 1.192 82 I CA 0.970 62.318 61.300 0.079 0.000 1.426 82 I CB -0.152 37.895 38.000 0.078 0.000 1.367 82 I HN 0.129 nan 8.210 nan 0.000 0.563 83 R N 7.176 127.710 120.500 0.056 0.000 2.494 83 R HA 0.705 5.045 4.340 0.000 0.000 0.305 83 R C -0.801 175.600 176.300 0.168 0.000 0.959 83 R CA -0.750 55.404 56.100 0.090 0.000 0.864 83 R CB 1.874 32.198 30.300 0.041 0.000 1.159 83 R HN 0.583 nan 8.270 nan 0.000 0.446 84 I N -1.054 119.634 120.570 0.197 0.000 2.892 84 I HA 0.652 4.822 4.170 0.000 0.000 0.306 84 I C -2.676 173.481 176.117 0.067 0.000 1.078 84 I CA -3.334 58.067 61.300 0.168 0.000 1.032 84 I CB 2.277 40.300 38.000 0.039 0.000 1.229 84 I HN 0.312 nan 8.210 nan 0.000 0.435 85 P HA 0.204 nan 4.420 nan 0.000 0.271 85 P C -0.479 176.577 177.300 -0.407 0.000 1.220 85 P CA -0.149 62.635 63.100 -0.527 0.000 0.768 85 P CB 0.940 32.395 31.700 -0.407 0.000 0.848 86 V N 0.276 119.862 119.914 -0.547 0.000 3.182 86 V HA 1.008 5.128 4.120 0.000 0.000 0.311 86 V C 0.262 175.822 176.094 -0.891 0.000 1.221 86 V CA -0.326 61.567 62.300 -0.679 0.000 1.060 86 V CB 0.939 32.342 31.823 -0.701 0.000 1.164 86 V HN 0.918 nan 8.190 nan 0.000 0.466 87 G N -0.032 107.956 108.800 -1.353 0.000 2.655 87 G HA2 -0.036 3.924 3.960 0.000 0.000 0.680 87 G HA3 -0.036 3.924 3.960 0.000 0.000 0.680 87 G C -1.982 172.741 174.900 -0.295 0.000 1.302 87 G CA -0.090 44.416 45.100 -0.991 0.000 0.872 87 G HN 0.826 nan 8.290 nan 0.000 0.540 88 P HA -0.042 nan 4.420 nan 0.000 0.225 88 P C 1.339 178.640 177.300 0.001 0.000 1.148 88 P CA 1.785 64.924 63.100 0.065 0.000 0.779 88 P CB -0.019 31.704 31.700 0.039 0.000 0.780 89 E N 0.004 120.170 120.200 -0.057 0.000 2.482 89 E HA -0.070 4.280 4.350 0.000 0.000 0.196 89 E C 1.377 177.949 176.600 -0.047 0.000 1.047 89 E CA 1.280 57.646 56.400 -0.057 0.000 0.869 89 E CB -1.282 28.365 29.700 -0.089 0.000 0.836 89 E HN 0.360 nan 8.360 nan 0.000 0.520 90 T N -0.623 113.907 114.554 -0.040 0.000 3.043 90 T HA 0.073 4.423 4.350 0.000 0.000 0.263 90 T C 1.191 175.928 174.700 0.062 0.000 1.094 90 T CA -0.121 61.977 62.100 -0.003 0.000 1.127 90 T CB -0.385 68.471 68.868 -0.020 0.000 0.905 90 T HN 0.014 nan 8.240 nan 0.000 0.490 91 L N 2.046 123.310 121.223 0.068 0.000 2.462 91 L HA 0.443 4.783 4.340 0.000 0.000 0.272 91 L C 1.684 178.588 176.870 0.058 0.000 1.166 91 L CA 0.807 55.679 54.840 0.054 0.000 0.880 91 L CB 0.055 42.105 42.059 -0.015 0.000 1.142 91 L HN 0.539 nan 8.230 nan 0.000 0.473 92 G N 1.842 110.692 108.800 0.084 0.000 2.179 92 G HA2 -0.213 3.747 3.960 0.000 0.000 0.260 92 G HA3 -0.213 3.747 3.960 0.000 0.000 0.260 92 G C 0.380 175.355 174.900 0.125 0.000 0.977 92 G CA -0.344 44.815 45.100 0.097 0.000 0.641 92 G HN 0.469 nan 8.290 nan 0.000 0.533 93 R N -0.253 120.304 120.500 0.094 0.000 2.758 93 R HA 0.784 5.124 4.340 0.000 0.000 0.265 93 R C 0.244 176.573 176.300 0.048 0.000 1.016 93 R CA -0.909 55.228 56.100 0.062 0.000 1.040 93 R CB 0.864 31.181 30.300 0.028 0.000 1.152 93 R HN 0.309 nan 8.270 nan 0.000 0.503 94 I N 1.574 122.130 120.570 -0.024 0.000 2.406 94 I HA 0.429 4.599 4.170 0.000 0.000 0.290 94 I C 0.112 176.230 176.117 0.002 0.000 0.999 94 I CA -0.397 60.890 61.300 -0.022 0.000 1.124 94 I CB 1.582 39.469 38.000 -0.189 0.000 1.289 94 I HN 0.201 nan 8.210 nan 0.000 0.441 95 M N 5.449 125.081 119.600 0.054 0.000 2.664 95 M HA 0.410 4.890 4.480 0.000 0.000 0.314 95 M C -0.203 176.137 176.300 0.065 0.000 1.200 95 M CA -0.541 54.783 55.300 0.040 0.000 0.916 95 M CB 2.577 35.193 32.600 0.026 0.000 1.717 95 M HN 0.713 nan 8.290 nan 0.000 0.470 96 N N -0.301 118.427 118.700 0.047 0.000 2.681 96 N HA 0.364 5.104 4.740 0.000 0.000 0.311 96 N C 0.506 176.040 175.510 0.040 0.000 1.303 96 N CA -0.917 52.166 53.050 0.053 0.000 0.926 96 N CB 0.768 39.281 38.487 0.042 0.000 1.136 96 N HN 0.331 nan 8.380 nan 0.000 0.592 97 V N -0.191 119.744 119.914 0.036 0.000 2.332 97 V HA -0.239 3.881 4.120 0.000 0.000 0.248 97 V C 2.090 178.199 176.094 0.025 0.000 1.055 97 V CA 1.871 64.186 62.300 0.025 0.000 1.038 97 V CB -1.236 30.603 31.823 0.026 0.000 0.651 97 V HN 0.738 nan 8.190 nan 0.000 0.450 98 I N -1.832 118.757 120.570 0.032 0.000 3.875 98 I HA 0.637 4.808 4.170 0.000 0.000 0.329 98 I C 1.375 177.523 176.117 0.052 0.000 1.295 98 I CA 0.690 62.014 61.300 0.039 0.000 1.129 98 I CB 0.069 38.091 38.000 0.036 0.000 1.008 98 I HN 0.336 nan 8.210 nan 0.000 0.413 99 G N 1.089 109.916 108.800 0.045 0.000 2.176 99 G HA2 -0.230 3.731 3.960 0.000 0.000 0.232 99 G HA3 -0.230 3.731 3.960 0.000 0.000 0.232 99 G C -0.098 174.830 174.900 0.046 0.000 0.986 99 G CA -0.136 44.993 45.100 0.050 0.000 0.643 99 G HN 0.605 nan 8.290 nan 0.000 0.522 100 E N 2.111 122.335 120.200 0.040 0.000 2.373 100 E HA 0.363 4.713 4.350 0.000 0.000 0.267 100 E C -2.189 174.421 176.600 0.016 0.000 1.032 100 E CA -1.533 54.886 56.400 0.031 0.000 0.889 100 E CB 1.055 30.771 29.700 0.026 0.000 0.984 100 E HN 0.223 nan 8.360 nan 0.000 0.425 101 P HA 0.027 nan 4.420 nan 0.000 0.276 101 P C -0.001 177.287 177.300 -0.019 0.000 1.235 101 P CA 0.354 63.449 63.100 -0.008 0.000 0.772 101 P CB 0.284 31.979 31.700 -0.007 0.000 0.871 102 I N -0.333 120.211 120.570 -0.043 0.000 3.707 102 I HA 0.277 4.447 4.170 0.000 0.000 0.330 102 I C 0.002 176.046 176.117 -0.122 0.000 1.572 102 I CA -0.320 60.941 61.300 -0.065 0.000 1.104 102 I CB -0.026 37.942 38.000 -0.055 0.000 1.240 102 I HN 0.042 nan 8.210 nan 0.000 0.475 103 D N 0.117 120.448 120.400 -0.116 0.000 2.440 103 D HA 0.039 4.679 4.640 0.000 0.000 0.216 103 D C 0.449 176.718 176.300 -0.051 0.000 1.150 103 D CA -0.249 53.659 54.000 -0.153 0.000 0.832 103 D CB -0.094 40.592 40.800 -0.191 0.000 0.992 103 D HN 0.418 nan 8.370 nan 0.000 0.502 104 E N -0.050 120.132 120.200 -0.031 0.000 2.722 104 E HA -0.264 4.086 4.350 0.000 0.000 0.265 104 E C 0.282 176.888 176.600 0.010 0.000 1.081 104 E CA 0.346 56.744 56.400 -0.004 0.000 0.781 104 E CB -1.109 28.595 29.700 0.005 0.000 1.372 104 E HN 0.443 nan 8.360 nan 0.000 0.423 105 R N -0.009 120.496 120.500 0.008 0.000 2.507 105 R HA 0.271 4.611 4.340 0.000 0.000 0.298 105 R C 0.913 177.220 176.300 0.012 0.000 0.999 105 R CA 0.349 56.460 56.100 0.018 0.000 1.082 105 R CB 1.039 31.357 30.300 0.030 0.000 1.246 105 R HN 0.306 nan 8.270 nan 0.000 0.553 106 G N 2.077 110.881 108.800 0.008 0.000 2.693 106 G HA2 -0.241 3.719 3.960 0.000 0.000 0.226 106 G HA3 -0.241 3.719 3.960 0.000 0.000 0.226 106 G C -2.537 172.367 174.900 0.007 0.000 1.354 106 G CA -1.171 43.934 45.100 0.008 0.000 0.873 106 G HN 0.067 nan 8.290 nan 0.000 0.562 107 P HA 0.360 nan 4.420 nan 0.000 0.269 107 P C 0.509 177.808 177.300 -0.001 0.000 1.215 107 P CA -0.491 62.615 63.100 0.011 0.000 0.780 107 P CB 0.338 32.048 31.700 0.018 0.000 0.898 108 I N 2.274 122.839 120.570 -0.009 0.000 2.483 108 I HA -0.002 4.168 4.170 0.000 0.000 0.291 108 I C 1.042 177.128 176.117 -0.052 0.000 1.112 108 I CA 0.326 61.602 61.300 -0.040 0.000 1.350 108 I CB -0.755 37.203 38.000 -0.070 0.000 1.419 108 I HN 0.309 nan 8.210 nan 0.000 0.523 109 K N 4.337 124.710 120.400 -0.044 0.000 2.989 109 K HA 0.071 4.391 4.320 0.000 0.000 0.264 109 K C 0.433 176.990 176.600 -0.072 0.000 1.228 109 K CA 0.105 56.368 56.287 -0.039 0.000 1.186 109 K CB -0.096 32.391 32.500 -0.023 0.000 1.409 109 K HN 0.592 nan 8.250 nan 0.000 0.271 110 T N -0.092 114.393 114.554 -0.115 0.000 2.865 110 T HA 0.349 4.699 4.350 0.000 0.000 0.294 110 T C -0.463 174.125 174.700 -0.186 0.000 1.119 110 T CA -0.814 61.171 62.100 -0.192 0.000 1.007 110 T CB 1.064 69.732 68.868 -0.333 0.000 1.225 110 T HN 0.448 nan 8.240 nan 0.000 0.515 111 K N 1.457 121.747 120.400 -0.184 0.000 2.609 111 K HA 0.225 4.545 4.320 0.000 0.000 0.195 111 K C -0.160 176.427 176.600 -0.023 0.000 1.144 111 K CA -0.540 55.741 56.287 -0.010 0.000 1.084 111 K CB 0.301 32.858 32.500 0.094 0.000 0.877 111 K HN 0.640 nan 8.250 nan 0.000 0.540 112 Q N 0.991 120.626 119.800 -0.276 0.000 2.290 112 Q HA 0.476 4.816 4.340 0.000 0.000 0.259 112 Q C -1.282 174.448 176.000 -0.450 0.000 0.941 112 Q CA -0.590 55.090 55.803 -0.206 0.000 0.912 112 Q CB 0.790 29.404 28.738 -0.207 0.000 1.244 112 Q HN 0.022 nan 8.270 nan 0.000 0.441 113 F N 0.637 120.535 119.950 -0.087 0.000 2.593 113 F HA 0.814 5.341 4.527 0.000 0.000 0.320 113 F C -0.384 175.380 175.800 -0.060 0.000 1.060 113 F CA -0.895 57.057 58.000 -0.081 0.000 0.940 113 F CB 2.491 41.461 39.000 -0.050 0.000 1.268 113 F HN 0.786 nan 8.300 nan 0.000 0.475 114 A N 0.960 123.859 122.820 0.132 0.000 2.455 114 A HA 0.813 5.133 4.320 0.000 0.000 0.300 114 A C -1.208 176.418 177.584 0.071 0.000 1.040 114 A CA -0.714 51.366 52.037 0.072 0.000 0.697 114 A CB 0.980 19.990 19.000 0.017 0.000 1.265 114 A HN 1.059 nan 8.150 nan 0.000 0.407 115 A N 1.443 124.301 122.820 0.063 0.000 2.477 115 A HA 0.461 4.781 4.320 0.000 0.000 0.246 115 A C 1.095 178.699 177.584 0.034 0.000 1.078 115 A CA 0.227 52.303 52.037 0.064 0.000 0.770 115 A CB -0.428 18.618 19.000 0.078 0.000 1.011 115 A HN 1.716 nan 8.150 nan 0.000 0.494 116 I N -0.601 119.973 120.570 0.006 0.000 3.111 116 I HA 0.044 4.214 4.170 0.000 0.000 0.272 116 I C 0.148 176.126 176.117 -0.231 0.000 1.268 116 I CA 0.431 61.664 61.300 -0.111 0.000 1.467 116 I CB -0.340 37.568 38.000 -0.153 0.000 1.087 116 I HN 0.499 nan 8.210 nan 0.000 0.467 117 H N 2.415 121.492 119.070 0.012 0.000 2.476 117 H HA 0.805 5.361 4.556 0.000 0.000 0.328 117 H C -0.535 174.797 175.328 0.006 0.000 1.073 117 H CA -0.273 55.782 56.048 0.011 0.000 1.229 117 H CB 1.749 31.519 29.762 0.013 0.000 1.432 117 H HN 0.389 nan 8.280 nan 0.000 0.477 118 A N 3.127 126.006 122.820 0.098 0.000 2.606 118 A HA 0.307 4.627 4.320 0.000 0.000 0.293 118 A C -0.560 177.050 177.584 0.043 0.000 1.082 118 A CA -0.927 51.143 52.037 0.055 0.000 0.685 118 A CB 1.701 20.716 19.000 0.025 0.000 1.284 118 A HN 0.599 nan 8.150 nan 0.000 0.408 119 E N 0.823 121.043 120.200 0.033 0.000 2.373 119 E HA 0.425 4.775 4.350 0.000 0.000 0.267 119 E C 0.475 177.086 176.600 0.018 0.000 1.032 119 E CA 0.148 56.564 56.400 0.027 0.000 0.889 119 E CB 1.459 31.173 29.700 0.023 0.000 0.984 119 E HN 0.805 nan 8.360 nan 0.000 0.425 120 A N 4.525 127.356 122.820 0.019 0.000 2.407 120 A HA 0.313 4.634 4.320 0.000 0.000 0.248 120 A C -2.055 175.540 177.584 0.018 0.000 1.082 120 A CA -1.096 50.949 52.037 0.014 0.000 0.785 120 A CB -0.369 18.644 19.000 0.021 0.000 1.020 120 A HN 0.312 nan 8.150 nan 0.000 0.489 121 P HA 0.085 nan 4.420 nan 0.000 0.266 121 P C -0.058 177.261 177.300 0.031 0.000 1.195 121 P CA 0.136 63.243 63.100 0.011 0.000 0.768 121 P CB 0.435 32.133 31.700 -0.004 0.000 0.838 122 E N 1.472 121.693 120.200 0.036 0.000 2.391 122 E HA 0.010 4.360 4.350 0.000 0.000 0.255 122 E C 0.836 177.495 176.600 0.099 0.000 1.187 122 E CA -0.281 56.164 56.400 0.075 0.000 0.941 122 E CB 0.077 29.818 29.700 0.070 0.000 1.010 122 E HN 0.397 nan 8.360 nan 0.000 0.458 123 F N 1.657 121.607 119.950 0.001 0.000 2.161 123 F HA -0.232 4.295 4.527 0.000 0.000 0.300 123 F C 1.905 177.704 175.800 -0.001 0.000 1.089 123 F CA 1.736 59.736 58.000 0.000 0.000 1.282 123 F CB -0.244 38.757 39.000 0.000 0.000 1.010 123 F HN 0.256 nan 8.300 nan 0.000 0.485 124 V N -1.927 117.983 119.914 -0.007 0.000 2.720 124 V HA -0.202 3.918 4.120 0.000 0.000 0.256 124 V C 1.499 177.512 176.094 -0.134 0.000 1.082 124 V CA 1.993 64.237 62.300 -0.094 0.000 1.101 124 V CB -1.126 30.703 31.823 0.011 0.000 0.693 124 V HN 0.433 nan 8.190 nan 0.000 0.479 125 E N 0.002 120.139 120.200 -0.105 0.000 2.489 125 E HA 0.194 4.544 4.350 0.000 0.000 0.193 125 E C 0.520 177.051 176.600 -0.114 0.000 1.057 125 E CA -0.253 56.097 56.400 -0.085 0.000 0.866 125 E CB 0.046 29.720 29.700 -0.043 0.000 0.916 125 E HN 0.473 nan 8.360 nan 0.000 0.500 126 M N 0.897 120.382 119.600 -0.193 0.000 2.233 126 M HA 0.133 4.613 4.480 0.000 0.000 0.350 126 M C 0.325 176.531 176.300 -0.157 0.000 1.176 126 M CA 0.082 55.271 55.300 -0.185 0.000 1.150 126 M CB 1.211 33.646 32.600 -0.275 0.000 1.530 126 M HN -0.165 nan 8.290 nan 0.000 0.459 127 S N 1.358 116.996 115.700 -0.104 0.000 2.475 127 S HA 0.539 5.009 4.470 0.000 0.000 0.298 127 S C 0.624 175.184 174.600 -0.068 0.000 1.119 127 S CA -0.864 57.289 58.200 -0.078 0.000 1.085 127 S CB 0.874 64.042 63.200 -0.054 0.000 1.028 127 S HN 0.553 nan 8.310 nan 0.000 0.489 128 V N 1.215 121.094 119.914 -0.059 0.000 3.578 128 V HA 0.435 4.555 4.120 0.000 0.000 0.290 128 V C 0.342 176.420 176.094 -0.025 0.000 1.376 128 V CA -0.300 61.975 62.300 -0.041 0.000 1.083 128 V CB -0.476 31.323 31.823 -0.040 0.000 0.911 128 V HN 0.720 nan 8.190 nan 0.000 0.433 129 E N 3.616 123.801 120.200 -0.025 0.000 2.415 129 E HA 0.225 4.575 4.350 0.000 0.000 0.263 129 E C -0.242 176.353 176.600 -0.008 0.000 0.995 129 E CA 0.465 56.856 56.400 -0.015 0.000 0.915 129 E CB 0.666 30.357 29.700 -0.015 0.000 0.951 129 E HN 0.886 nan 8.360 nan 0.000 0.449 130 Q N 1.267 121.066 119.800 -0.002 0.000 2.483 130 Q HA 0.349 4.689 4.340 0.000 0.000 0.245 130 Q C -0.931 175.077 176.000 0.013 0.000 0.902 130 Q CA -0.645 55.162 55.803 0.007 0.000 0.767 130 Q CB 1.102 29.844 28.738 0.008 0.000 1.341 130 Q HN 0.479 nan 8.270 nan 0.000 0.453 131 E N 2.728 122.940 120.200 0.019 0.000 2.256 131 E HA 0.519 4.869 4.350 0.000 0.000 0.267 131 E C -0.739 175.886 176.600 0.042 0.000 0.892 131 E CA -1.124 55.291 56.400 0.026 0.000 0.775 131 E CB 2.311 32.024 29.700 0.023 0.000 1.207 131 E HN 0.635 nan 8.360 nan 0.000 0.420 132 I N 2.466 123.065 120.570 0.048 0.000 2.775 132 I HA -0.067 4.103 4.170 0.000 0.000 0.290 132 I C -0.807 175.353 176.117 0.072 0.000 1.203 132 I CA -0.166 61.174 61.300 0.066 0.000 1.433 132 I CB 0.409 38.452 38.000 0.072 0.000 1.354 132 I HN 0.525 nan 8.210 nan 0.000 0.579 133 L N 9.057 130.336 121.223 0.093 0.000 2.301 133 L HA 0.376 4.716 4.340 0.000 0.000 0.278 133 L C -0.673 176.245 176.870 0.081 0.000 1.022 133 L CA -0.358 54.540 54.840 0.096 0.000 0.854 133 L CB 1.144 43.279 42.059 0.126 0.000 1.226 133 L HN 0.322 nan 8.230 nan 0.000 0.429 134 V N 4.221 124.169 119.914 0.057 0.000 2.572 134 V HA 0.146 4.266 4.120 0.000 0.000 0.291 134 V C 1.491 177.596 176.094 0.018 0.000 1.039 134 V CA 0.718 63.036 62.300 0.029 0.000 1.055 134 V CB 0.879 32.721 31.823 0.032 0.000 0.969 134 V HN 0.932 nan 8.190 nan 0.000 0.482 135 T N 0.046 114.585 114.554 -0.026 0.000 3.015 135 T HA 0.255 4.605 4.350 0.000 0.000 0.250 135 T C 1.465 176.142 174.700 -0.038 0.000 1.057 135 T CA 0.720 62.802 62.100 -0.031 0.000 1.066 135 T CB 0.409 69.222 68.868 -0.092 0.000 0.959 135 T HN 1.507 nan 8.240 nan 0.000 0.488 136 G N 1.624 110.406 108.800 -0.029 0.000 2.159 136 G HA2 -0.203 3.757 3.960 0.000 0.000 0.256 136 G HA3 -0.203 3.757 3.960 0.000 0.000 0.256 136 G C -0.002 174.891 174.900 -0.011 0.000 0.977 136 G CA 0.165 45.253 45.100 -0.019 0.000 0.652 136 G HN 0.663 nan 8.290 nan 0.000 0.531 137 I N 0.846 121.404 120.570 -0.020 0.000 2.307 137 I HA 0.260 4.430 4.170 0.000 0.000 0.289 137 I C 1.563 177.692 176.117 0.020 0.000 1.021 137 I CA -0.782 60.543 61.300 0.043 0.000 1.224 137 I CB 1.305 39.338 38.000 0.055 0.000 1.376 137 I HN -0.015 nan 8.210 nan 0.000 0.470 138 K N 3.563 123.983 120.400 0.034 0.000 2.020 138 K HA -0.187 4.133 4.320 0.000 0.000 0.212 138 K C 1.847 178.440 176.600 -0.012 0.000 1.050 138 K CA 1.392 57.695 56.287 0.026 0.000 0.929 138 K CB -0.091 32.423 32.500 0.023 0.000 0.714 138 K HN 0.563 nan 8.250 nan 0.000 0.443 139 V N 1.002 120.912 119.914 -0.006 0.000 2.343 139 V HA -0.209 3.911 4.120 0.000 0.000 0.247 139 V C 2.077 178.136 176.094 -0.058 0.000 1.051 139 V CA 1.551 63.821 62.300 -0.050 0.000 1.036 139 V CB -0.017 31.806 31.823 0.000 0.000 0.654 139 V HN 0.127 nan 8.190 nan 0.000 0.451 140 V N 0.474 120.355 119.914 -0.055 0.000 2.237 140 V HA -0.222 3.898 4.120 0.000 0.000 0.245 140 V C 2.395 178.399 176.094 -0.151 0.000 1.046 140 V CA 2.522 64.732 62.300 -0.150 0.000 1.007 140 V CB -0.855 30.777 31.823 -0.319 0.000 0.638 140 V HN 0.573 nan 8.190 nan 0.000 0.445 141 D N -0.287 120.043 120.400 -0.118 0.000 2.149 141 D HA -0.155 4.485 4.640 0.000 0.000 0.198 141 D C 1.899 178.235 176.300 0.061 0.000 0.990 141 D CA 1.238 55.215 54.000 -0.039 0.000 0.839 141 D CB -0.241 40.538 40.800 -0.034 0.000 0.948 141 D HN 0.362 nan 8.370 nan 0.000 0.460 142 L N -0.245 120.969 121.223 -0.016 0.000 2.044 142 L HA -0.016 4.324 4.340 0.000 0.000 0.205 142 L C 2.008 178.941 176.870 0.105 0.000 1.075 142 L CA 1.361 56.190 54.840 -0.019 0.000 0.747 142 L CB -0.061 41.845 42.059 -0.254 0.000 0.903 142 L HN -0.017 nan 8.230 nan 0.000 0.435 143 L N -1.184 120.032 121.223 -0.011 0.000 2.316 143 L HA 0.324 4.664 4.340 0.000 0.000 0.207 143 L C 0.779 177.655 176.870 0.009 0.000 1.070 143 L CA 0.500 55.324 54.840 -0.027 0.000 0.820 143 L CB -0.095 41.920 42.059 -0.074 0.000 0.992 143 L HN 0.239 nan 8.230 nan 0.000 0.466 144 A N 0.542 123.376 122.820 0.023 0.000 3.409 144 A HA 0.443 4.763 4.320 0.000 0.000 0.282 144 A C -2.648 174.973 177.584 0.061 0.000 1.064 144 A CA -0.843 51.231 52.037 0.061 0.000 0.889 144 A CB -0.189 18.870 19.000 0.100 0.000 1.251 144 A HN -0.142 nan 8.150 nan 0.000 0.538 145 P HA 0.133 nan 4.420 nan 0.000 0.272 145 P C -0.507 176.888 177.300 0.160 0.000 1.223 145 P CA 0.409 63.513 63.100 0.007 0.000 0.784 145 P CB 0.405 32.137 31.700 0.053 0.000 0.923 146 Y N 0.042 120.374 120.300 0.054 0.000 2.300 146 Y HA 0.448 4.998 4.550 0.000 0.000 0.328 146 Y C 1.097 177.013 175.900 0.028 0.000 1.270 146 Y CA -1.270 56.853 58.100 0.038 0.000 1.352 146 Y CB 0.900 39.382 38.460 0.035 0.000 1.286 146 Y HN 0.372 nan 8.280 nan 0.000 0.536 147 A N 2.335 125.264 122.820 0.182 0.000 2.350 147 A HA 0.451 4.771 4.320 0.000 0.000 0.324 147 A C -0.964 176.654 177.584 0.056 0.000 1.118 147 A CA -1.125 50.968 52.037 0.093 0.000 0.783 147 A CB 0.815 19.850 19.000 0.059 0.000 1.236 147 A HN 0.760 nan 8.150 nan 0.000 0.457 148 K N 0.735 121.161 120.400 0.044 0.000 2.412 148 K HA 0.375 4.695 4.320 0.000 0.000 0.281 148 K C 1.125 177.723 176.600 -0.003 0.000 1.027 148 K CA 1.157 57.456 56.287 0.020 0.000 0.989 148 K CB 0.382 32.899 32.500 0.028 0.000 0.935 148 K HN 1.513 nan 8.250 nan 0.000 0.475 149 G N 1.919 110.702 108.800 -0.028 0.000 2.168 149 G HA2 -0.259 3.702 3.960 0.000 0.000 0.263 149 G HA3 -0.259 3.702 3.960 0.000 0.000 0.263 149 G C 0.441 175.312 174.900 -0.047 0.000 0.977 149 G CA 0.064 45.140 45.100 -0.039 0.000 0.659 149 G HN 0.856 nan 8.290 nan 0.000 0.533 150 G N -0.782 107.989 108.800 -0.049 0.000 2.511 150 G HA2 0.599 4.560 3.960 0.000 0.000 0.316 150 G HA3 0.599 4.560 3.960 0.000 0.000 0.316 150 G C -0.223 174.624 174.900 -0.089 0.000 1.210 150 G CA -0.768 44.303 45.100 -0.047 0.000 0.969 150 G HN 0.333 nan 8.290 nan 0.000 0.492 151 K N 0.270 120.625 120.400 -0.074 0.000 2.263 151 K HA 0.405 4.725 4.320 0.000 0.000 0.272 151 K C -0.831 175.694 176.600 -0.124 0.000 1.033 151 K CA -0.129 56.097 56.287 -0.101 0.000 0.884 151 K CB 1.657 34.124 32.500 -0.054 0.000 1.107 151 K HN 0.251 nan 8.250 nan 0.000 0.460 152 I N 1.507 121.947 120.570 -0.218 0.000 2.404 152 I HA 0.337 4.507 4.170 0.000 0.000 0.293 152 I C 0.361 176.331 176.117 -0.245 0.000 0.992 152 I CA -0.584 60.529 61.300 -0.311 0.000 1.149 152 I CB 2.104 39.712 38.000 -0.653 0.000 1.315 152 I HN 0.596 nan 8.210 nan 0.000 0.446 153 G N 6.630 115.332 108.800 -0.164 0.000 2.513 153 G HA2 0.714 4.674 3.960 0.000 0.000 0.317 153 G HA3 0.714 4.674 3.960 0.000 0.000 0.317 153 G C -0.959 173.854 174.900 -0.145 0.000 1.277 153 G CA -0.535 44.426 45.100 -0.232 0.000 0.955 153 G HN 0.467 nan 8.290 nan 0.000 0.484 154 L N 2.359 123.450 121.223 -0.220 0.000 2.313 154 L HA 0.422 4.762 4.340 0.000 0.000 0.273 154 L C -0.778 176.014 176.870 -0.131 0.000 1.028 154 L CA -0.612 54.202 54.840 -0.043 0.000 0.871 154 L CB 0.576 42.653 42.059 0.031 0.000 1.242 154 L HN 0.315 nan 8.230 nan 0.000 0.434 155 F N 1.268 121.212 119.950 -0.011 0.000 2.389 155 F HA 0.733 5.260 4.527 0.000 0.000 0.337 155 F C 1.079 176.878 175.800 -0.002 0.000 1.112 155 F CA -0.198 57.777 58.000 -0.042 0.000 1.192 155 F CB 1.754 40.711 39.000 -0.071 0.000 1.185 155 F HN 0.439 nan 8.300 nan 0.000 0.552 156 G N 0.665 109.545 108.800 0.135 0.000 2.596 156 G HA2 0.469 4.429 3.960 0.000 0.000 0.296 156 G HA3 0.469 4.429 3.960 0.000 0.000 0.296 156 G C -0.693 174.171 174.900 -0.059 0.000 1.513 156 G CA -0.415 44.724 45.100 0.066 0.000 0.851 156 G HN 0.920 nan 8.290 nan 0.000 0.548 157 G N -0.327 108.419 108.800 -0.090 0.000 2.683 157 G HA2 0.635 4.595 3.960 0.000 0.000 0.260 157 G HA3 0.635 4.595 3.960 0.000 0.000 0.260 157 G C 0.836 175.730 174.900 -0.010 0.000 1.238 157 G CA 0.421 45.409 45.100 -0.186 0.000 0.934 157 G HN 1.772 nan 8.290 nan 0.000 0.534 158 A N -1.042 121.833 122.820 0.092 0.000 2.522 158 A HA 0.514 4.834 4.320 0.000 0.000 0.256 158 A C 1.513 179.171 177.584 0.123 0.000 1.086 158 A CA 1.065 53.243 52.037 0.236 0.000 0.763 158 A CB -0.718 18.447 19.000 0.275 0.000 1.024 158 A HN 2.575 nan 8.150 nan 0.000 0.502 159 G N 0.957 109.824 108.800 0.113 0.000 2.160 159 G HA2 -0.155 3.805 3.960 0.000 0.000 0.244 159 G HA3 -0.155 3.805 3.960 0.000 0.000 0.244 159 G C 0.683 175.628 174.900 0.075 0.000 1.022 159 G CA 0.775 45.917 45.100 0.070 0.000 0.741 159 G HN 2.168 nan 8.290 nan 0.000 0.508 160 V N -3.679 116.290 119.914 0.092 0.000 3.471 160 V HA 0.667 4.787 4.120 0.000 0.000 0.258 160 V C 1.665 177.854 176.094 0.158 0.000 1.192 160 V CA 1.411 63.783 62.300 0.119 0.000 1.116 160 V CB 0.466 32.340 31.823 0.084 0.000 0.792 160 V HN 2.124 nan 8.190 nan 0.000 0.459 161 G N 0.305 109.176 108.800 0.118 0.000 2.174 161 G HA2 -0.148 3.812 3.960 0.000 0.000 0.140 161 G HA3 -0.148 3.812 3.960 0.000 0.000 0.140 161 G C 0.523 175.507 174.900 0.140 0.000 1.031 161 G CA 0.157 45.327 45.100 0.117 0.000 0.728 161 G HN 0.400 nan 8.290 nan 0.000 0.496 162 K N -0.051 120.426 120.400 0.128 0.000 2.009 162 K HA -0.086 4.234 4.320 0.000 0.000 0.210 162 K C 2.509 179.191 176.600 0.137 0.000 1.049 162 K CA 2.023 58.387 56.287 0.128 0.000 0.929 162 K CB -0.253 32.312 32.500 0.108 0.000 0.714 162 K HN 0.293 nan 8.250 nan 0.000 0.440 163 T N 1.041 115.673 114.554 0.130 0.000 2.770 163 T HA -0.080 4.270 4.350 0.000 0.000 0.263 163 T C 2.069 176.857 174.700 0.146 0.000 1.039 163 T CA 1.000 63.185 62.100 0.143 0.000 1.142 163 T CB -0.177 68.775 68.868 0.139 0.000 0.868 163 T HN -0.064 nan 8.240 nan 0.000 0.435 164 V N 1.749 121.749 119.914 0.143 0.000 2.324 164 V HA -0.152 3.968 4.120 0.000 0.000 0.250 164 V C 2.413 178.649 176.094 0.236 0.000 1.060 164 V CA 1.492 63.906 62.300 0.190 0.000 1.042 164 V CB -0.662 31.258 31.823 0.163 0.000 0.650 164 V HN 0.329 nan 8.190 nan 0.000 0.450 165 L N -0.308 121.071 121.223 0.259 0.000 2.027 165 L HA -0.108 4.232 4.340 0.000 0.000 0.206 165 L C 2.134 179.085 176.870 0.135 0.000 1.074 165 L CA 1.780 56.780 54.840 0.268 0.000 0.745 165 L CB -0.554 41.688 42.059 0.304 0.000 0.898 165 L HN 0.252 nan 8.230 nan 0.000 0.433 166 I N -1.196 119.457 120.570 0.138 0.000 2.286 166 I HA -0.315 3.856 4.170 0.000 0.000 0.248 166 I C 2.095 178.213 176.117 0.002 0.000 1.115 166 I CA 1.071 62.439 61.300 0.113 0.000 1.392 166 I CB 0.040 38.137 38.000 0.162 0.000 1.065 166 I HN 0.313 nan 8.210 nan 0.000 0.418 167 M N -0.311 119.301 119.600 0.019 0.000 2.175 167 M HA -0.194 4.286 4.480 0.000 0.000 0.264 167 M C 2.129 178.375 176.300 -0.091 0.000 1.063 167 M CA 1.506 56.778 55.300 -0.046 0.000 1.119 167 M CB -1.433 31.175 32.600 0.012 0.000 1.377 167 M HN 0.172 nan 8.290 nan 0.000 0.415 168 E N 0.834 120.976 120.200 -0.097 0.000 2.110 168 E HA -0.091 4.259 4.350 0.000 0.000 0.193 168 E C 2.053 178.528 176.600 -0.209 0.000 0.988 168 E CA 1.096 57.347 56.400 -0.248 0.000 0.804 168 E CB -0.287 29.019 29.700 -0.657 0.000 0.745 168 E HN 0.483 nan 8.360 nan 0.000 0.458 169 L N -0.021 121.133 121.223 -0.115 0.000 2.046 169 L HA -0.140 4.200 4.340 0.000 0.000 0.208 169 L C 2.448 179.293 176.870 -0.040 0.000 1.077 169 L CA 1.035 55.872 54.840 -0.004 0.000 0.747 169 L CB -0.374 41.785 42.059 0.167 0.000 0.896 169 L HN 0.217 nan 8.230 nan 0.000 0.432 170 I N 0.003 120.434 120.570 -0.232 0.000 2.264 170 I HA -0.322 3.848 4.170 0.000 0.000 0.248 170 I C 2.269 178.300 176.117 -0.144 0.000 1.111 170 I CA 1.520 62.610 61.300 -0.350 0.000 1.382 170 I CB -0.338 37.348 38.000 -0.523 0.000 1.060 170 I HN 0.349 nan 8.210 nan 0.000 0.418 171 N N 0.904 119.530 118.700 -0.123 0.000 2.142 171 N HA -0.162 4.578 4.740 0.000 0.000 0.186 171 N C 1.527 177.004 175.510 -0.054 0.000 1.023 171 N CA 1.462 54.462 53.050 -0.083 0.000 0.852 171 N CB 0.026 38.459 38.487 -0.091 0.000 0.998 171 N HN 0.177 nan 8.380 nan 0.000 0.424 172 N N -1.155 117.509 118.700 -0.060 0.000 2.415 172 N HA 0.054 4.794 4.740 0.000 0.000 0.176 172 N C 0.958 176.476 175.510 0.013 0.000 1.042 172 N CA 0.475 53.504 53.050 -0.035 0.000 0.902 172 N CB 0.492 38.938 38.487 -0.069 0.000 0.986 172 N HN 0.126 nan 8.380 nan 0.000 0.447 173 V N -0.640 119.301 119.914 0.045 0.000 2.996 173 V HA 0.302 4.422 4.120 0.000 0.000 0.235 173 V C 1.890 178.052 176.094 0.113 0.000 1.205 173 V CA 0.926 63.280 62.300 0.091 0.000 1.225 173 V CB -0.238 31.668 31.823 0.138 0.000 0.995 173 V HN 0.144 nan 8.190 nan 0.000 0.484 174 A N -0.103 122.788 122.820 0.119 0.000 1.975 174 A HA -0.045 4.275 4.320 0.000 0.000 0.215 174 A C 2.096 179.756 177.584 0.126 0.000 1.170 174 A CA 1.149 53.277 52.037 0.151 0.000 0.656 174 A CB -0.278 18.820 19.000 0.163 0.000 0.821 174 A HN 0.438 nan 8.150 nan 0.000 0.449 175 K N -0.359 120.078 120.400 0.062 0.000 2.283 175 K HA 0.011 4.331 4.320 0.000 0.000 0.202 175 K C 1.015 177.645 176.600 0.049 0.000 1.048 175 K CA 0.968 57.279 56.287 0.040 0.000 0.948 175 K CB -0.107 32.397 32.500 0.007 0.000 0.742 175 K HN 0.398 nan 8.250 nan 0.000 0.458 176 A N 0.844 123.705 122.820 0.068 0.000 2.701 176 A HA 0.078 4.398 4.320 0.000 0.000 0.297 176 A C -0.709 176.930 177.584 0.092 0.000 1.197 176 A CA -0.412 51.659 52.037 0.056 0.000 0.963 176 A CB -0.270 18.753 19.000 0.038 0.000 1.175 176 A HN 0.198 nan 8.150 nan 0.000 0.531 177 H N -0.966 118.106 119.070 0.003 0.000 2.487 177 H HA 0.505 5.061 4.556 0.000 0.000 0.333 177 H C 1.301 176.599 175.328 -0.050 0.000 1.114 177 H CA 0.387 56.430 56.048 -0.008 0.000 1.310 177 H CB 1.516 31.290 29.762 0.020 0.000 1.462 177 H HN 0.073 nan 8.280 nan 0.000 0.516 178 G N 2.288 110.691 108.800 -0.661 0.000 2.985 178 G HA2 0.237 4.198 3.960 0.000 0.000 0.209 178 G HA3 0.237 4.198 3.960 0.000 0.000 0.209 178 G C 0.627 175.094 174.900 -0.721 0.000 1.165 178 G CA 0.429 45.205 45.100 -0.540 0.000 0.776 178 G HN 0.801 nan 8.290 nan 0.000 0.541 179 G N -1.003 107.064 108.800 -1.221 0.000 3.264 179 G HA2 0.566 4.526 3.960 0.000 0.000 0.168 179 G HA3 0.566 4.526 3.960 0.000 0.000 0.168 179 G C -1.294 173.283 174.900 -0.537 0.000 1.145 179 G CA -0.992 43.612 45.100 -0.825 0.000 0.855 179 G HN 0.103 nan 8.290 nan 0.000 0.629 180 Y N -0.241 120.038 120.300 -0.035 0.000 2.457 180 Y HA 0.653 5.203 4.550 0.000 0.000 0.333 180 Y C 0.417 176.342 175.900 0.041 0.000 1.119 180 Y CA -0.703 57.327 58.100 -0.116 0.000 1.143 180 Y CB 2.444 40.556 38.460 -0.581 0.000 1.230 180 Y HN 0.290 nan 8.280 nan 0.000 0.469 181 S N 1.098 116.931 115.700 0.221 0.000 2.536 181 S HA 0.688 5.158 4.470 0.000 0.000 0.298 181 S C -1.122 173.609 174.600 0.218 0.000 1.083 181 S CA -0.815 57.515 58.200 0.216 0.000 0.995 181 S CB 1.823 65.214 63.200 0.318 0.000 1.058 181 S HN 0.336 nan 8.310 nan 0.000 0.488 182 V N 3.002 123.048 119.914 0.220 0.000 2.487 182 V HA 0.489 4.609 4.120 0.000 0.000 0.298 182 V C -1.089 175.163 176.094 0.264 0.000 1.028 182 V CA -0.654 61.779 62.300 0.223 0.000 0.860 182 V CB 1.175 33.101 31.823 0.171 0.000 0.991 182 V HN 0.852 nan 8.190 nan 0.000 0.427 183 F N 4.123 124.150 119.950 0.128 0.000 2.427 183 F HA 0.776 5.303 4.527 0.000 0.000 0.346 183 F C 0.296 176.038 175.800 -0.097 0.000 1.120 183 F CA -0.493 57.554 58.000 0.078 0.000 1.033 183 F CB 1.296 40.340 39.000 0.074 0.000 1.126 183 F HN 0.541 nan 8.300 nan 0.000 0.462 184 A N 4.775 127.291 122.820 -0.507 0.000 2.277 184 A HA 0.596 4.916 4.320 0.000 0.000 0.318 184 A C -0.009 177.209 177.584 -0.609 0.000 1.339 184 A CA -0.390 51.388 52.037 -0.432 0.000 0.875 184 A CB 0.134 18.960 19.000 -0.291 0.000 1.158 184 A HN 1.018 nan 8.150 nan 0.000 0.514 185 G N 1.334 109.750 108.800 -0.639 0.000 2.365 185 G HA2 0.484 4.444 3.960 0.000 0.000 0.293 185 G HA3 0.484 4.444 3.960 0.000 0.000 0.293 185 G C -0.519 174.295 174.900 -0.143 0.000 1.128 185 G CA -0.064 44.810 45.100 -0.375 0.000 0.971 185 G HN 0.723 nan 8.290 nan 0.000 0.422 186 V N 2.834 122.705 119.914 -0.070 0.000 2.349 186 V HA 0.585 4.705 4.120 0.000 0.000 0.284 186 V C 1.077 177.192 176.094 0.035 0.000 1.014 186 V CA 0.238 62.527 62.300 -0.019 0.000 0.826 186 V CB 0.828 32.624 31.823 -0.045 0.000 1.009 186 V HN 1.349 nan 8.190 nan 0.000 0.431 187 G N 3.347 112.179 108.800 0.053 0.000 2.225 187 G HA2 -0.195 3.765 3.960 0.000 0.000 0.267 187 G HA3 -0.195 3.765 3.960 0.000 0.000 0.267 187 G C 0.200 175.141 174.900 0.069 0.000 1.024 187 G CA 0.542 45.674 45.100 0.053 0.000 0.784 187 G HN 0.581 nan 8.290 nan 0.000 0.507 188 E N -0.666 119.598 120.200 0.105 0.000 2.819 188 E HA 0.475 4.825 4.350 0.000 0.000 0.241 188 E C 0.920 177.593 176.600 0.121 0.000 0.987 188 E CA -0.889 55.580 56.400 0.116 0.000 1.024 188 E CB 0.499 30.290 29.700 0.152 0.000 1.448 188 E HN 0.405 nan 8.360 nan 0.000 0.484 189 R N 0.210 120.783 120.500 0.123 0.000 2.340 189 R HA 0.220 4.560 4.340 0.000 0.000 0.300 189 R C 1.148 177.509 176.300 0.102 0.000 1.069 189 R CA 0.039 56.197 56.100 0.096 0.000 0.984 189 R CB 0.356 30.706 30.300 0.083 0.000 1.003 189 R HN 0.391 nan 8.270 nan 0.000 0.459 190 T N 1.889 116.480 114.554 0.062 0.000 2.788 190 T HA -0.168 4.182 4.350 0.000 0.000 0.268 190 T C 1.742 176.440 174.700 -0.004 0.000 1.044 190 T CA 1.126 63.236 62.100 0.016 0.000 1.139 190 T CB -0.122 68.746 68.868 -0.000 0.000 0.867 190 T HN 0.526 nan 8.240 nan 0.000 0.454 191 R N 1.139 121.653 120.500 0.024 0.000 2.105 191 R HA -0.141 4.199 4.340 0.000 0.000 0.239 191 R C 2.148 178.471 176.300 0.037 0.000 1.135 191 R CA 1.637 57.754 56.100 0.028 0.000 0.967 191 R CB -0.124 30.198 30.300 0.038 0.000 0.861 191 R HN 0.508 nan 8.270 nan 0.000 0.442 192 E N -1.129 119.107 120.200 0.061 0.000 2.150 192 E HA -0.110 4.241 4.350 0.000 0.000 0.193 192 E C 1.847 178.476 176.600 0.048 0.000 0.985 192 E CA 0.982 57.429 56.400 0.079 0.000 0.814 192 E CB -0.128 29.651 29.700 0.132 0.000 0.752 192 E HN 0.576 nan 8.360 nan 0.000 0.466 193 G N 1.183 109.981 108.800 -0.003 0.000 2.402 193 G HA2 -0.332 3.629 3.960 0.000 0.000 0.216 193 G HA3 -0.332 3.629 3.960 0.000 0.000 0.216 193 G C 1.439 176.213 174.900 -0.211 0.000 1.162 193 G CA 1.000 45.935 45.100 -0.276 0.000 0.777 193 G HN 0.193 nan 8.290 nan 0.000 0.539 194 N N 0.569 119.217 118.700 -0.086 0.000 2.142 194 N HA -0.090 4.650 4.740 0.000 0.000 0.186 194 N C 1.723 177.328 175.510 0.158 0.000 1.023 194 N CA 1.535 54.628 53.050 0.072 0.000 0.852 194 N CB -0.119 38.424 38.487 0.093 0.000 0.998 194 N HN 0.117 nan 8.380 nan 0.000 0.424 195 D N 0.012 120.458 120.400 0.076 0.000 2.092 195 D HA -0.159 4.481 4.640 0.000 0.000 0.193 195 D C 1.848 178.172 176.300 0.040 0.000 0.994 195 D CA 0.777 54.813 54.000 0.061 0.000 0.828 195 D CB -0.512 40.310 40.800 0.037 0.000 0.963 195 D HN 0.238 nan 8.370 nan 0.000 0.450 196 L N -0.172 121.048 121.223 -0.006 0.000 2.056 196 L HA -0.152 4.188 4.340 0.000 0.000 0.207 196 L C 2.171 179.026 176.870 -0.025 0.000 1.078 196 L CA 1.451 56.250 54.840 -0.068 0.000 0.749 196 L CB -0.860 41.083 42.059 -0.193 0.000 0.901 196 L HN 0.052 nan 8.230 nan 0.000 0.433 197 Y N -0.309 119.905 120.300 -0.144 0.000 2.114 197 Y HA -0.279 4.271 4.550 0.000 0.000 0.284 197 Y C 2.749 178.527 175.900 -0.203 0.000 1.143 197 Y CA 2.199 60.183 58.100 -0.192 0.000 1.135 197 Y CB -0.534 37.759 38.460 -0.278 0.000 0.980 197 Y HN 0.361 nan 8.280 nan 0.000 0.499 198 H N -0.153 118.817 119.070 -0.166 0.000 2.462 198 H HA -0.067 4.489 4.556 0.000 0.000 0.292 198 H C 1.998 177.225 175.328 -0.168 0.000 1.049 198 H CA 1.548 57.458 56.048 -0.229 0.000 1.334 198 H CB 0.059 29.752 29.762 -0.115 0.000 1.404 198 H HN 0.575 nan 8.280 nan 0.000 0.544 199 E N 0.265 120.454 120.200 -0.018 0.000 2.072 199 E HA -0.087 4.263 4.350 0.000 0.000 0.191 199 E C 2.095 178.651 176.600 -0.073 0.000 0.985 199 E CA 0.570 56.945 56.400 -0.042 0.000 0.801 199 E CB 0.090 29.765 29.700 -0.042 0.000 0.750 199 E HN 0.350 nan 8.360 nan 0.000 0.452 200 M N 0.087 119.627 119.600 -0.100 0.000 2.394 200 M HA -0.060 4.420 4.480 0.000 0.000 0.264 200 M C 1.966 178.195 176.300 -0.118 0.000 1.073 200 M CA 0.917 56.161 55.300 -0.093 0.000 1.111 200 M CB 0.032 32.590 32.600 -0.071 0.000 1.401 200 M HN 0.134 nan 8.290 nan 0.000 0.448 201 I N -0.388 120.067 120.570 -0.191 0.000 2.286 201 I HA -0.210 3.961 4.170 0.000 0.000 0.245 201 I C 2.345 178.400 176.117 -0.103 0.000 1.104 201 I CA 1.004 62.192 61.300 -0.187 0.000 1.397 201 I CB -0.247 37.574 38.000 -0.298 0.000 1.072 201 I HN 0.190 nan 8.210 nan 0.000 0.417 202 E N 0.953 121.105 120.200 -0.081 0.000 2.150 202 E HA -0.186 4.164 4.350 0.000 0.000 0.193 202 E C 2.214 178.787 176.600 -0.045 0.000 0.985 202 E CA 1.573 57.942 56.400 -0.051 0.000 0.814 202 E CB -0.026 29.649 29.700 -0.040 0.000 0.752 202 E HN 0.469 nan 8.360 nan 0.000 0.466 203 S N -1.990 113.681 115.700 -0.048 0.000 2.478 203 S HA 0.186 4.656 4.470 0.000 0.000 0.222 203 S C 1.728 176.309 174.600 -0.032 0.000 1.008 203 S CA 0.620 58.798 58.200 -0.037 0.000 0.928 203 S CB 0.328 63.506 63.200 -0.037 0.000 0.781 203 S HN 0.443 nan 8.310 nan 0.000 0.518 204 G N 0.378 109.155 108.800 -0.039 0.000 2.175 204 G HA2 -0.278 3.682 3.960 0.000 0.000 0.244 204 G HA3 -0.278 3.682 3.960 0.000 0.000 0.244 204 G C 0.728 175.618 174.900 -0.017 0.000 0.982 204 G CA 0.221 45.303 45.100 -0.029 0.000 0.641 204 G HN 0.650 nan 8.290 nan 0.000 0.527 205 V N 0.427 120.332 119.914 -0.015 0.000 2.626 205 V HA 0.164 4.284 4.120 0.000 0.000 0.252 205 V C 1.533 177.635 176.094 0.013 0.000 1.067 205 V CA 1.679 63.983 62.300 0.006 0.000 1.081 205 V CB -0.176 31.654 31.823 0.010 0.000 0.686 205 V HN 0.508 nan 8.190 nan 0.000 0.468 206 I N 1.018 121.579 120.570 -0.015 0.000 2.378 206 I HA 0.356 4.526 4.170 0.000 0.000 0.291 206 I C -0.331 175.764 176.117 -0.037 0.000 0.992 206 I CA -0.147 61.144 61.300 -0.014 0.000 1.154 206 I CB 1.497 39.477 38.000 -0.033 0.000 1.315 206 I HN 0.116 nan 8.210 nan 0.000 0.448 207 N N 6.779 125.472 118.700 -0.013 0.000 2.399 207 N HA 0.357 5.097 4.740 0.000 0.000 0.280 207 N C 0.104 175.609 175.510 -0.008 0.000 1.008 207 N CA -0.440 52.600 53.050 -0.017 0.000 0.894 207 N CB 2.085 40.569 38.487 -0.005 0.000 1.273 207 N HN 0.586 nan 8.380 nan 0.000 0.486 208 L N 2.323 123.535 121.223 -0.019 0.000 2.591 208 L HA 0.126 4.466 4.340 0.000 0.000 0.228 208 L C 1.421 178.293 176.870 0.004 0.000 1.133 208 L CA 0.475 55.313 54.840 -0.003 0.000 0.880 208 L CB 0.048 42.099 42.059 -0.013 0.000 1.033 208 L HN 0.311 nan 8.230 nan 0.000 0.450 209 K N -0.472 119.928 120.400 0.001 0.000 2.462 209 K HA 0.160 4.480 4.320 0.000 0.000 0.201 209 K C 0.154 176.757 176.600 0.006 0.000 1.268 209 K CA 0.343 56.632 56.287 0.003 0.000 0.933 209 K CB 0.485 32.984 32.500 -0.000 0.000 1.162 209 K HN 0.331 nan 8.250 nan 0.000 0.527 210 D N -1.110 119.294 120.400 0.006 0.000 2.621 210 D HA 0.426 5.066 4.640 0.000 0.000 0.255 210 D C -0.127 176.182 176.300 0.015 0.000 1.122 210 D CA -0.826 53.179 54.000 0.010 0.000 1.096 210 D CB 0.646 41.451 40.800 0.009 0.000 1.282 210 D HN -0.123 nan 8.370 nan 0.000 0.619 211 A N -0.747 122.084 122.820 0.019 0.000 2.577 211 A HA 0.272 4.592 4.320 0.000 0.000 0.280 211 A C 1.072 178.677 177.584 0.036 0.000 1.331 211 A CA 0.220 52.272 52.037 0.026 0.000 0.935 211 A CB -1.069 17.946 19.000 0.026 0.000 1.082 211 A HN 0.583 nan 8.150 nan 0.000 0.525 212 T N -2.703 111.870 114.554 0.031 0.000 3.188 212 T HA 0.162 4.512 4.350 0.000 0.000 0.250 212 T C 0.604 175.331 174.700 0.045 0.000 1.077 212 T CA 0.165 62.287 62.100 0.036 0.000 0.967 212 T CB -0.416 68.464 68.868 0.021 0.000 1.006 212 T HN 0.145 nan 8.240 nan 0.000 0.552 213 S N 1.689 117.416 115.700 0.046 0.000 2.549 213 S HA 0.216 4.686 4.470 0.000 0.000 0.286 213 S C 0.959 175.609 174.600 0.084 0.000 1.314 213 S CA -0.432 57.799 58.200 0.052 0.000 1.062 213 S CB 0.939 64.168 63.200 0.047 0.000 0.865 213 S HN 0.501 nan 8.310 nan 0.000 0.498 214 K N 1.164 121.621 120.400 0.094 0.000 2.360 214 K HA 0.221 4.541 4.320 0.000 0.000 0.196 214 K C -0.492 176.197 176.600 0.149 0.000 1.049 214 K CA 0.229 56.604 56.287 0.146 0.000 1.049 214 K CB 0.663 33.229 32.500 0.110 0.000 0.881 214 K HN 0.322 nan 8.250 nan 0.000 0.542 215 V N 1.391 121.375 119.914 0.117 0.000 2.540 215 V HA 0.522 4.642 4.120 0.000 0.000 0.302 215 V C -0.850 175.327 176.094 0.137 0.000 1.035 215 V CA -1.197 61.187 62.300 0.140 0.000 0.873 215 V CB 1.576 33.488 31.823 0.148 0.000 0.992 215 V HN 0.120 nan 8.190 nan 0.000 0.428 216 A N 5.847 128.767 122.820 0.165 0.000 2.292 216 A HA 0.878 5.198 4.320 0.000 0.000 0.319 216 A C -0.805 176.897 177.584 0.198 0.000 1.206 216 A CA -0.460 51.683 52.037 0.176 0.000 0.835 216 A CB 0.566 19.704 19.000 0.229 0.000 1.164 216 A HN 0.801 nan 8.150 nan 0.000 0.505 217 L N 2.776 124.114 121.223 0.190 0.000 2.329 217 L HA 0.658 4.998 4.340 0.000 0.000 0.279 217 L C -0.875 176.112 176.870 0.196 0.000 1.014 217 L CA -0.862 54.127 54.840 0.247 0.000 0.814 217 L CB 1.872 44.135 42.059 0.341 0.000 1.257 217 L HN 0.412 nan 8.230 nan 0.000 0.424 218 V N 3.002 122.988 119.914 0.121 0.000 2.577 218 V HA 0.480 4.600 4.120 0.000 0.000 0.303 218 V C -1.314 174.746 176.094 -0.056 0.000 1.042 218 V CA -0.656 61.682 62.300 0.063 0.000 0.872 218 V CB 1.893 33.715 31.823 -0.001 0.000 0.998 218 V HN 0.454 nan 8.190 nan 0.000 0.423 219 Y N 1.522 121.853 120.300 0.052 0.000 2.457 219 Y HA 0.758 5.308 4.550 0.000 0.000 0.343 219 Y C 0.467 176.386 175.900 0.032 0.000 0.994 219 Y CA -0.655 57.480 58.100 0.058 0.000 1.031 219 Y CB 2.873 41.361 38.460 0.048 0.000 1.246 219 Y HN 0.717 nan 8.280 nan 0.000 0.449 220 G N 3.663 112.566 108.800 0.172 0.000 2.975 220 G HA2 0.370 4.330 3.960 0.000 0.000 0.299 220 G HA3 0.370 4.330 3.960 0.000 0.000 0.299 220 G C -1.136 173.832 174.900 0.113 0.000 1.587 220 G CA -0.565 44.603 45.100 0.113 0.000 1.052 220 G HN 0.290 nan 8.290 nan 0.000 0.545 221 Q N 1.283 121.162 119.800 0.132 0.000 2.189 221 Q HA 0.288 4.629 4.340 0.000 0.000 0.193 221 Q C 1.991 178.035 176.000 0.073 0.000 1.034 221 Q CA -0.772 55.106 55.803 0.125 0.000 1.062 221 Q CB 0.788 29.613 28.738 0.145 0.000 1.118 221 Q HN 0.756 nan 8.270 nan 0.000 0.569 222 M N -0.156 119.481 119.600 0.063 0.000 2.686 222 M HA -0.008 4.472 4.480 0.000 0.000 0.246 222 M C 0.613 176.930 176.300 0.030 0.000 1.096 222 M CA 0.965 56.288 55.300 0.038 0.000 1.076 222 M CB -0.349 32.270 32.600 0.031 0.000 1.504 222 M HN 0.331 nan 8.290 nan 0.000 0.524 223 N N 0.324 119.044 118.700 0.034 0.000 2.412 223 N HA 0.018 4.758 4.740 0.000 0.000 0.184 223 N C -0.243 175.280 175.510 0.021 0.000 1.101 223 N CA 0.372 53.437 53.050 0.025 0.000 0.881 223 N CB -0.134 38.367 38.487 0.024 0.000 0.969 223 N HN 0.435 nan 8.380 nan 0.000 0.459 224 E N 1.883 122.098 120.200 0.025 0.000 2.283 224 E HA 0.357 4.707 4.350 0.000 0.000 0.271 224 E C -2.218 174.389 176.600 0.012 0.000 1.031 224 E CA -2.009 54.403 56.400 0.021 0.000 0.868 224 E CB 1.015 30.732 29.700 0.028 0.000 1.094 224 E HN 0.198 nan 8.360 nan 0.000 0.401 225 P HA 0.062 nan 4.420 nan 0.000 0.272 225 P C -1.977 175.320 177.300 -0.005 0.000 1.240 225 P CA -1.082 62.019 63.100 0.001 0.000 0.791 225 P CB 0.175 31.876 31.700 0.002 0.000 0.978 226 P HA -0.161 nan 4.420 nan 0.000 0.218 226 P C 1.663 178.943 177.300 -0.033 0.000 1.148 226 P CA 1.805 64.885 63.100 -0.033 0.000 0.822 226 P CB -0.650 31.024 31.700 -0.042 0.000 0.784 227 G N 0.693 109.482 108.800 -0.017 0.000 2.446 227 G HA2 -0.248 3.712 3.960 0.000 0.000 0.217 227 G HA3 -0.248 3.712 3.960 0.000 0.000 0.217 227 G C 1.818 176.720 174.900 0.003 0.000 1.168 227 G CA 1.195 46.291 45.100 -0.008 0.000 0.771 227 G HN 0.362 nan 8.290 nan 0.000 0.551 228 A N 0.872 123.697 122.820 0.008 0.000 1.865 228 A HA -0.056 4.264 4.320 0.000 0.000 0.217 228 A C 2.442 180.035 177.584 0.016 0.000 1.191 228 A CA 1.762 53.809 52.037 0.017 0.000 0.623 228 A CB -0.454 18.559 19.000 0.021 0.000 0.826 228 A HN 0.355 nan 8.150 nan 0.000 0.444 229 R N -0.690 119.813 120.500 0.005 0.000 2.152 229 R HA -0.033 4.307 4.340 0.000 0.000 0.232 229 R C 2.292 178.592 176.300 -0.001 0.000 1.117 229 R CA 0.999 57.100 56.100 0.003 0.000 0.981 229 R CB -0.374 29.918 30.300 -0.014 0.000 0.870 229 R HN 0.527 nan 8.270 nan 0.000 0.451 230 A N 0.619 123.419 122.820 -0.033 0.000 2.066 230 A HA -0.053 4.267 4.320 0.000 0.000 0.218 230 A C 1.829 179.448 177.584 0.059 0.000 1.157 230 A CA 0.937 52.929 52.037 -0.074 0.000 0.670 230 A CB 0.065 18.985 19.000 -0.133 0.000 0.804 230 A HN 0.072 nan 8.150 nan 0.000 0.453 231 R N -1.600 118.933 120.500 0.054 0.000 2.287 231 R HA 0.168 4.508 4.340 0.000 0.000 0.197 231 R C 1.803 178.116 176.300 0.022 0.000 0.900 231 R CA 0.702 56.832 56.100 0.050 0.000 1.052 231 R CB -0.923 29.395 30.300 0.030 0.000 1.117 231 R HN 0.320 nan 8.270 nan 0.000 0.568 232 V N 2.073 122.000 119.914 0.022 0.000 2.439 232 V HA -0.308 3.812 4.120 0.000 0.000 0.253 232 V C 2.414 178.486 176.094 -0.036 0.000 1.074 232 V CA 2.204 64.501 62.300 -0.003 0.000 1.076 232 V CB -0.612 31.214 31.823 0.004 0.000 0.664 232 V HN 0.322 nan 8.190 nan 0.000 0.461 233 A N -0.712 122.093 122.820 -0.025 0.000 1.930 233 A HA -0.109 4.211 4.320 0.000 0.000 0.217 233 A C 2.135 179.644 177.584 -0.125 0.000 1.175 233 A CA 1.564 53.542 52.037 -0.099 0.000 0.627 233 A CB -0.378 18.538 19.000 -0.140 0.000 0.815 233 A HN 0.524 nan 8.150 nan 0.000 0.443 234 L N -0.669 120.494 121.223 -0.100 0.000 2.083 234 L HA -0.151 4.189 4.340 0.000 0.000 0.209 234 L C 2.747 179.546 176.870 -0.118 0.000 1.083 234 L CA 1.749 56.506 54.840 -0.138 0.000 0.752 234 L CB -1.201 40.741 42.059 -0.195 0.000 0.899 234 L HN 0.346 nan 8.230 nan 0.000 0.433 235 T N -0.048 114.453 114.554 -0.087 0.000 2.674 235 T HA -0.134 4.216 4.350 0.000 0.000 0.265 235 T C 1.901 176.564 174.700 -0.061 0.000 1.039 235 T CA 1.448 63.510 62.100 -0.062 0.000 1.150 235 T CB -0.660 68.188 68.868 -0.034 0.000 0.864 235 T HN 0.543 nan 8.240 nan 0.000 0.427 236 G N 2.168 110.927 108.800 -0.069 0.000 2.440 236 G HA2 -0.167 3.793 3.960 0.000 0.000 0.218 236 G HA3 -0.167 3.793 3.960 0.000 0.000 0.218 236 G C 1.567 176.430 174.900 -0.062 0.000 1.154 236 G CA 1.329 46.388 45.100 -0.068 0.000 0.767 236 G HN 0.588 nan 8.290 nan 0.000 0.552 237 L N -1.069 120.101 121.223 -0.089 0.000 2.313 237 L HA 0.254 4.594 4.340 0.000 0.000 0.214 237 L C 2.421 179.257 176.870 -0.057 0.000 1.119 237 L CA 2.163 56.954 54.840 -0.083 0.000 0.809 237 L CB -1.058 40.927 42.059 -0.124 0.000 0.933 237 L HN -0.014 nan 8.230 nan 0.000 0.449 238 T N 0.036 114.552 114.554 -0.063 0.000 2.746 238 T HA -0.121 4.229 4.350 0.000 0.000 0.267 238 T C 2.023 176.692 174.700 -0.051 0.000 1.039 238 T CA 1.798 63.867 62.100 -0.052 0.000 1.142 238 T CB -0.458 68.375 68.868 -0.057 0.000 0.866 238 T HN 0.229 nan 8.240 nan 0.000 0.444 239 V N 1.771 121.648 119.914 -0.062 0.000 2.332 239 V HA -0.213 3.907 4.120 0.000 0.000 0.248 239 V C 2.865 178.948 176.094 -0.018 0.000 1.055 239 V CA 1.782 64.025 62.300 -0.095 0.000 1.038 239 V CB -1.204 30.604 31.823 -0.025 0.000 0.651 239 V HN 0.546 nan 8.190 nan 0.000 0.450 240 A N -0.505 122.359 122.820 0.074 0.000 1.898 240 A HA -0.225 4.095 4.320 0.000 0.000 0.216 240 A C 2.174 179.827 177.584 0.116 0.000 1.181 240 A CA 1.737 53.867 52.037 0.155 0.000 0.620 240 A CB -0.475 18.564 19.000 0.065 0.000 0.819 240 A HN 0.605 nan 8.150 nan 0.000 0.442 241 E N -1.602 118.620 120.200 0.038 0.000 2.118 241 E HA -0.235 4.115 4.350 0.000 0.000 0.195 241 E C 1.806 178.415 176.600 0.015 0.000 0.992 241 E CA 1.532 57.943 56.400 0.018 0.000 0.804 241 E CB -0.326 29.372 29.700 -0.004 0.000 0.741 241 E HN 0.812 nan 8.360 nan 0.000 0.458 242 Y N 0.319 120.535 120.300 -0.140 0.000 2.145 242 Y HA -0.241 4.309 4.550 0.000 0.000 0.286 242 Y C 1.791 177.610 175.900 -0.135 0.000 1.145 242 Y CA 1.666 59.639 58.100 -0.213 0.000 1.148 242 Y CB -0.378 37.835 38.460 -0.412 0.000 0.981 242 Y HN -0.028 nan 8.280 nan 0.000 0.507 243 F N 0.009 120.039 119.950 0.133 0.000 2.269 243 F HA -0.157 4.371 4.527 0.000 0.000 0.301 243 F C 2.721 178.531 175.800 0.016 0.000 1.082 243 F CA 1.212 59.269 58.000 0.094 0.000 1.360 243 F CB -0.225 38.899 39.000 0.207 0.000 1.041 243 F HN 0.010 nan 8.300 nan 0.000 0.512 244 R N 0.447 121.036 120.500 0.149 0.000 2.062 244 R HA -0.104 4.236 4.340 0.000 0.000 0.226 244 R C 1.484 177.777 176.300 -0.012 0.000 1.125 244 R CA 1.718 57.858 56.100 0.067 0.000 0.966 244 R CB -0.136 30.190 30.300 0.043 0.000 0.861 244 R HN 0.138 nan 8.270 nan 0.000 0.433 245 D N -0.101 120.255 120.400 -0.073 0.000 2.259 245 D HA -0.055 4.585 4.640 0.000 0.000 0.216 245 D C 1.788 177.997 176.300 -0.153 0.000 0.961 245 D CA 0.712 54.655 54.000 -0.096 0.000 0.878 245 D CB 0.116 40.867 40.800 -0.082 0.000 1.009 245 D HN 0.202 nan 8.370 nan 0.000 0.490 246 Q N 0.302 119.917 119.800 -0.309 0.000 2.424 246 Q HA 0.039 4.379 4.340 0.000 0.000 0.204 246 Q C 1.143 176.992 176.000 -0.253 0.000 0.933 246 Q CA 0.707 56.290 55.803 -0.367 0.000 0.929 246 Q CB 0.607 28.895 28.738 -0.749 0.000 1.037 246 Q HN 0.253 nan 8.270 nan 0.000 0.511 247 E N -0.566 119.531 120.200 -0.171 0.000 2.182 247 E HA 0.209 4.559 4.350 0.000 0.000 0.195 247 E C 1.053 177.653 176.600 -0.001 0.000 0.933 247 E CA 1.249 57.636 56.400 -0.020 0.000 0.940 247 E CB 0.170 29.945 29.700 0.126 0.000 0.945 247 E HN 0.292 nan 8.360 nan 0.000 0.477 248 G N 0.032 108.836 108.800 0.007 0.000 2.195 248 G HA2 -0.250 3.710 3.960 0.000 0.000 0.224 248 G HA3 -0.250 3.710 3.960 0.000 0.000 0.224 248 G C 0.173 175.080 174.900 0.011 0.000 0.990 248 G CA 0.286 45.387 45.100 0.002 0.000 0.639 248 G HN 0.179 nan 8.290 nan 0.000 0.514 249 Q N 1.192 121.009 119.800 0.029 0.000 2.396 249 Q HA 0.520 4.860 4.340 0.000 0.000 0.221 249 Q C -0.084 175.930 176.000 0.022 0.000 1.025 249 Q CA -0.025 55.775 55.803 -0.004 0.000 0.946 249 Q CB 0.521 29.226 28.738 -0.056 0.000 1.224 249 Q HN 0.336 nan 8.270 nan 0.000 0.539 250 D N -0.119 120.282 120.400 0.001 0.000 2.304 250 D HA 0.300 4.940 4.640 0.000 0.000 0.250 250 D C -0.906 175.489 176.300 0.159 0.000 1.107 250 D CA -0.120 53.924 54.000 0.073 0.000 0.885 250 D CB 0.948 41.813 40.800 0.109 0.000 1.192 250 D HN 0.069 nan 8.370 nan 0.000 0.436 251 V N 2.599 122.588 119.914 0.124 0.000 2.604 251 V HA 0.390 4.510 4.120 0.000 0.000 0.305 251 V C -0.057 176.002 176.094 -0.059 0.000 1.043 251 V CA -0.866 61.502 62.300 0.113 0.000 0.888 251 V CB 1.813 33.714 31.823 0.131 0.000 0.995 251 V HN 0.314 nan 8.190 nan 0.000 0.429 252 L N 5.132 126.262 121.223 -0.156 0.000 2.296 252 L HA 0.623 4.963 4.340 0.000 0.000 0.286 252 L C -0.848 175.816 176.870 -0.344 0.000 1.023 252 L CA -0.608 54.004 54.840 -0.380 0.000 0.812 252 L CB 1.584 43.357 42.059 -0.478 0.000 1.223 252 L HN 0.441 nan 8.230 nan 0.000 0.421 253 L N 4.064 124.988 121.223 -0.498 0.000 2.343 253 L HA 0.583 4.923 4.340 0.000 0.000 0.278 253 L C -1.307 175.226 176.870 -0.561 0.000 0.996 253 L CA 0.104 54.728 54.840 -0.360 0.000 0.831 253 L CB 0.992 42.922 42.059 -0.215 0.000 1.232 253 L HN 0.218 nan 8.230 nan 0.000 0.413 254 F N 5.951 125.808 119.950 -0.154 0.000 2.427 254 F HA 0.625 5.152 4.527 0.000 0.000 0.346 254 F C 0.026 175.493 175.800 -0.554 0.000 1.120 254 F CA -0.519 57.325 58.000 -0.261 0.000 1.033 254 F CB 1.446 40.394 39.000 -0.088 0.000 1.126 254 F HN 0.237 nan 8.300 nan 0.000 0.462 255 I N 2.796 123.174 120.570 -0.319 0.000 2.447 255 I HA 0.327 4.497 4.170 0.000 0.000 0.287 255 I C -1.352 174.571 176.117 -0.323 0.000 1.023 255 I CA -0.550 60.504 61.300 -0.411 0.000 1.083 255 I CB 2.000 39.831 38.000 -0.283 0.000 1.245 255 I HN 0.435 nan 8.210 nan 0.000 0.434 256 D N 6.028 126.209 120.400 -0.365 0.000 2.476 256 D HA 0.266 4.906 4.640 0.000 0.000 0.251 256 D C -1.412 174.860 176.300 -0.046 0.000 1.291 256 D CA -0.238 53.695 54.000 -0.113 0.000 0.939 256 D CB 1.243 42.067 40.800 0.039 0.000 1.221 256 D HN 0.438 nan 8.370 nan 0.000 0.567 257 N N 4.229 122.931 118.700 0.002 0.000 2.295 257 N HA 0.167 4.907 4.740 0.000 0.000 0.293 257 N C 0.496 176.034 175.510 0.046 0.000 1.040 257 N CA -0.498 52.573 53.050 0.034 0.000 0.840 257 N CB 1.693 40.251 38.487 0.118 0.000 1.468 257 N HN 0.302 nan 8.380 nan 0.000 0.478 258 I N 3.995 124.565 120.570 -0.001 0.000 2.614 258 I HA -0.069 4.101 4.170 0.000 0.000 0.258 258 I C 1.680 177.867 176.117 0.116 0.000 1.189 258 I CA 0.680 61.971 61.300 -0.014 0.000 1.462 258 I CB -0.559 37.359 38.000 -0.136 0.000 1.092 258 I HN 0.620 nan 8.210 nan 0.000 0.442 259 F N 1.543 121.521 119.950 0.048 0.000 2.154 259 F HA -0.251 4.276 4.527 0.000 0.000 0.301 259 F C 2.307 178.197 175.800 0.149 0.000 1.087 259 F CA 1.606 59.683 58.000 0.129 0.000 1.274 259 F CB -0.380 38.743 39.000 0.205 0.000 1.009 259 F HN -0.014 nan 8.300 nan 0.000 0.485 260 R N -0.016 120.483 120.500 -0.001 0.000 2.193 260 R HA -0.193 4.147 4.340 0.000 0.000 0.229 260 R C 2.206 178.434 176.300 -0.121 0.000 1.110 260 R CA 1.381 57.404 56.100 -0.128 0.000 0.988 260 R CB -1.709 28.606 30.300 0.025 0.000 0.871 260 R HN 0.524 nan 8.270 nan 0.000 0.458 261 F N 1.555 121.400 119.950 -0.176 0.000 2.134 261 F HA -0.183 4.344 4.527 0.000 0.000 0.299 261 F C 1.911 177.614 175.800 -0.162 0.000 1.097 261 F CA 1.658 59.573 58.000 -0.142 0.000 1.264 261 F CB -0.240 38.691 39.000 -0.116 0.000 1.001 261 F HN -0.135 nan 8.300 nan 0.000 0.479 262 T N 0.041 114.469 114.554 -0.209 0.000 2.851 262 T HA -0.175 4.175 4.350 0.000 0.000 0.262 262 T C 1.874 176.391 174.700 -0.306 0.000 1.043 262 T CA 1.277 63.206 62.100 -0.284 0.000 1.140 262 T CB -0.322 68.506 68.868 -0.066 0.000 0.872 262 T HN 0.418 nan 8.240 nan 0.000 0.446 263 Q N 0.695 120.174 119.800 -0.535 0.000 2.096 263 Q HA -0.133 4.207 4.340 0.000 0.000 0.204 263 Q C 2.468 178.327 176.000 -0.235 0.000 0.982 263 Q CA 1.592 57.136 55.803 -0.432 0.000 0.850 263 Q CB -0.270 28.079 28.738 -0.649 0.000 0.901 263 Q HN 0.537 nan 8.270 nan 0.000 0.422 264 A N 0.292 122.966 122.820 -0.245 0.000 1.933 264 A HA -0.105 4.215 4.320 0.000 0.000 0.218 264 A C 2.251 179.728 177.584 -0.177 0.000 1.175 264 A CA 1.559 53.490 52.037 -0.176 0.000 0.628 264 A CB -1.229 17.676 19.000 -0.158 0.000 0.814 264 A HN 0.602 nan 8.150 nan 0.000 0.444 265 G N 0.082 108.728 108.800 -0.256 0.000 2.442 265 G HA2 -0.236 3.724 3.960 0.000 0.000 0.219 265 G HA3 -0.236 3.724 3.960 0.000 0.000 0.219 265 G C 1.966 176.801 174.900 -0.108 0.000 1.141 265 G CA 1.848 46.821 45.100 -0.212 0.000 0.763 265 G HN 0.876 nan 8.290 nan 0.000 0.554 266 S N 0.365 116.018 115.700 -0.078 0.000 2.406 266 S HA -0.003 4.467 4.470 0.000 0.000 0.228 266 S C 1.927 176.489 174.600 -0.064 0.000 1.020 266 S CA 1.369 59.545 58.200 -0.040 0.000 0.965 266 S CB -0.242 62.934 63.200 -0.039 0.000 0.798 266 S HN 0.550 nan 8.310 nan 0.000 0.488 267 E N 0.957 121.113 120.200 -0.074 0.000 2.153 267 E HA -0.088 4.262 4.350 0.000 0.000 0.194 267 E C 2.022 178.595 176.600 -0.045 0.000 0.988 267 E CA 1.627 57.992 56.400 -0.058 0.000 0.811 267 E CB -0.231 29.435 29.700 -0.056 0.000 0.746 267 E HN 0.720 nan 8.360 nan 0.000 0.466 268 V N -2.671 117.214 119.914 -0.048 0.000 3.660 268 V HA 0.147 4.267 4.120 0.000 0.000 0.276 268 V C 2.011 178.088 176.094 -0.028 0.000 1.317 268 V CA 0.558 62.837 62.300 -0.035 0.000 1.097 268 V CB 0.760 32.562 31.823 -0.036 0.000 0.863 268 V HN 0.015 nan 8.190 nan 0.000 0.438 269 S N 1.670 117.352 115.700 -0.030 0.000 2.359 269 S HA -0.172 4.298 4.470 0.000 0.000 0.224 269 S C 2.203 176.797 174.600 -0.010 0.000 1.035 269 S CA 2.209 60.398 58.200 -0.018 0.000 1.018 269 S CB -0.434 62.760 63.200 -0.010 0.000 0.876 269 S HN 0.973 nan 8.310 nan 0.000 0.448 270 A N 1.163 123.976 122.820 -0.012 0.000 1.933 270 A HA 0.036 4.356 4.320 0.000 0.000 0.218 270 A C 2.132 179.713 177.584 -0.005 0.000 1.175 270 A CA 1.399 53.432 52.037 -0.007 0.000 0.628 270 A CB -0.719 18.275 19.000 -0.010 0.000 0.814 270 A HN 0.589 nan 8.150 nan 0.000 0.444 271 L N -0.826 120.393 121.223 -0.008 0.000 2.376 271 L HA -0.016 4.324 4.340 0.000 0.000 0.219 271 L C 1.670 178.539 176.870 -0.001 0.000 1.133 271 L CA 0.398 55.235 54.840 -0.005 0.000 0.816 271 L CB -0.314 41.741 42.059 -0.006 0.000 0.933 271 L HN 0.331 nan 8.230 nan 0.000 0.449 272 L N -0.158 121.063 121.223 -0.002 0.000 2.612 272 L HA 0.167 4.507 4.340 0.000 0.000 0.230 272 L C 1.318 178.191 176.870 0.005 0.000 1.140 272 L CA 0.372 55.213 54.840 0.002 0.000 0.896 272 L CB -0.364 41.694 42.059 -0.003 0.000 1.065 272 L HN 0.429 nan 8.230 nan 0.000 0.447 273 G N 0.631 109.433 108.800 0.004 0.000 2.137 273 G HA2 -0.285 3.675 3.960 0.000 0.000 0.237 273 G HA3 -0.285 3.675 3.960 0.000 0.000 0.237 273 G C 0.090 174.994 174.900 0.007 0.000 1.002 273 G CA -0.244 44.859 45.100 0.006 0.000 0.702 273 G HN 0.312 nan 8.290 nan 0.000 0.515 274 R N 0.254 120.757 120.500 0.006 0.000 2.297 274 R HA 0.599 4.939 4.340 0.000 0.000 0.308 274 R C 1.333 177.639 176.300 0.010 0.000 1.029 274 R CA -0.542 55.564 56.100 0.009 0.000 0.929 274 R CB 0.765 31.071 30.300 0.011 0.000 1.046 274 R HN 0.591 nan 8.270 nan 0.000 0.461 275 I N 1.202 121.780 120.570 0.013 0.000 2.496 275 I HA 0.353 4.523 4.170 0.000 0.000 0.285 275 I C -1.871 174.259 176.117 0.021 0.000 1.080 275 I CA -2.110 59.199 61.300 0.015 0.000 1.404 275 I CB 0.629 38.637 38.000 0.014 0.000 1.403 275 I HN 0.385 nan 8.210 nan 0.000 0.539 276 P HA 0.071 nan 4.420 nan 0.000 0.269 276 P C -0.302 177.025 177.300 0.045 0.000 1.215 276 P CA -0.172 62.947 63.100 0.031 0.000 0.780 276 P CB 1.279 32.990 31.700 0.019 0.000 0.898 277 S N 0.754 116.496 115.700 0.071 0.000 2.623 277 S HA 0.593 5.063 4.470 0.000 0.000 0.278 277 S C 0.051 174.712 174.600 0.101 0.000 1.148 277 S CA -0.394 57.857 58.200 0.084 0.000 1.028 277 S CB 0.156 63.416 63.200 0.101 0.000 1.145 277 S HN 0.628 nan 8.310 nan 0.000 0.523 278 A N 0.355 123.242 122.820 0.112 0.000 2.531 278 A HA 0.390 4.710 4.320 0.000 0.000 0.236 278 A C 0.873 178.569 177.584 0.186 0.000 1.062 278 A CA 0.363 52.472 52.037 0.121 0.000 0.760 278 A CB -0.779 18.286 19.000 0.109 0.000 0.995 278 A HN 1.650 nan 8.150 nan 0.000 0.501 279 V N 1.280 121.274 119.914 0.133 0.000 4.654 279 V HA -0.284 3.836 4.120 0.000 0.000 0.261 279 V C 1.721 177.801 176.094 -0.023 0.000 0.471 279 V CA 1.539 63.910 62.300 0.118 0.000 0.802 279 V CB -2.554 29.420 31.823 0.251 0.000 0.768 279 V HN 2.903 nan 8.190 nan 0.000 1.286 280 G N -2.237 106.550 108.800 -0.022 0.000 2.175 280 G HA2 -0.359 3.601 3.960 0.000 0.000 0.265 280 G HA3 -0.359 3.601 3.960 0.000 0.000 0.265 280 G C -0.109 174.705 174.900 -0.144 0.000 0.979 280 G CA 0.689 45.728 45.100 -0.101 0.000 0.663 280 G HN 0.905 nan 8.290 nan 0.000 0.533 281 Y N 1.122 121.446 120.300 0.041 0.000 2.300 281 Y HA 0.424 4.974 4.550 0.000 0.000 0.328 281 Y C 1.356 177.265 175.900 0.015 0.000 1.270 281 Y CA -0.318 57.801 58.100 0.031 0.000 1.352 281 Y CB 0.550 39.040 38.460 0.051 0.000 1.286 281 Y HN 0.368 nan 8.280 nan 0.000 0.536 282 Q N 2.377 122.295 119.800 0.196 0.000 2.361 282 Q HA 0.039 4.379 4.340 0.000 0.000 0.276 282 Q C -2.410 173.647 176.000 0.094 0.000 1.022 282 Q CA -1.457 54.404 55.803 0.097 0.000 0.898 282 Q CB 0.685 29.453 28.738 0.050 0.000 1.246 282 Q HN 0.411 nan 8.270 nan 0.000 0.410 283 P HA -0.109 nan 4.420 nan 0.000 0.221 283 P C 0.970 178.297 177.300 0.045 0.000 1.145 283 P CA 1.748 64.880 63.100 0.053 0.000 0.795 283 P CB 0.013 31.736 31.700 0.038 0.000 0.775 284 T N -4.227 110.350 114.554 0.038 0.000 3.107 284 T HA 0.113 4.463 4.350 0.000 0.000 0.249 284 T C 1.544 176.268 174.700 0.040 0.000 1.096 284 T CA -0.236 61.884 62.100 0.034 0.000 1.012 284 T CB -1.031 67.850 68.868 0.022 0.000 0.977 284 T HN -0.003 nan 8.240 nan 0.000 0.527 285 L N 1.033 122.280 121.223 0.040 0.000 2.034 285 L HA -0.216 4.124 4.340 0.000 0.000 0.217 285 L C 2.765 179.671 176.870 0.060 0.000 1.077 285 L CA 2.211 57.069 54.840 0.029 0.000 0.769 285 L CB -0.683 41.367 42.059 -0.016 0.000 0.890 285 L HN 0.416 nan 8.230 nan 0.000 0.435 286 A N -1.157 121.701 122.820 0.064 0.000 1.930 286 A HA -0.142 4.178 4.320 0.000 0.000 0.215 286 A C 2.290 179.940 177.584 0.111 0.000 1.176 286 A CA 1.684 53.778 52.037 0.094 0.000 0.632 286 A CB -0.956 18.091 19.000 0.078 0.000 0.819 286 A HN 0.633 nan 8.150 nan 0.000 0.445 287 T N -2.007 112.599 114.554 0.086 0.000 2.812 287 T HA -0.117 4.233 4.350 0.000 0.000 0.264 287 T C 1.373 176.133 174.700 0.100 0.000 1.042 287 T CA 1.315 63.465 62.100 0.084 0.000 1.140 287 T CB -0.467 68.436 68.868 0.059 0.000 0.870 287 T HN 0.295 nan 8.240 nan 0.000 0.445 288 D N 1.179 121.645 120.400 0.110 0.000 2.106 288 D HA -0.115 4.525 4.640 0.000 0.000 0.191 288 D C 1.978 178.443 176.300 0.274 0.000 0.997 288 D CA 1.313 55.417 54.000 0.174 0.000 0.834 288 D CB -0.467 40.400 40.800 0.110 0.000 0.956 288 D HN 0.374 nan 8.370 nan 0.000 0.448 289 M N 0.284 120.025 119.600 0.235 0.000 2.117 289 M HA -0.099 4.381 4.480 0.000 0.000 0.262 289 M C 2.048 178.295 176.300 -0.088 0.000 1.065 289 M CA 2.060 57.422 55.300 0.104 0.000 1.114 289 M CB -0.227 32.426 32.600 0.090 0.000 1.361 289 M HN 0.047 nan 8.290 nan 0.000 0.408 290 G N -0.643 108.187 108.800 0.050 0.000 2.418 290 G HA2 -0.259 3.701 3.960 0.000 0.000 0.217 290 G HA3 -0.259 3.701 3.960 0.000 0.000 0.217 290 G C 1.427 176.345 174.900 0.030 0.000 1.158 290 G CA 1.493 46.652 45.100 0.099 0.000 0.771 290 G HN 0.608 nan 8.290 nan 0.000 0.545 291 T N -1.946 112.631 114.554 0.037 0.000 2.951 291 T HA 0.011 4.361 4.350 0.000 0.000 0.268 291 T C 2.170 176.855 174.700 -0.024 0.000 1.073 291 T CA 1.427 63.545 62.100 0.030 0.000 1.134 291 T CB -0.066 68.843 68.868 0.068 0.000 0.884 291 T HN 0.154 nan 8.240 nan 0.000 0.479 292 M N 0.263 119.804 119.600 -0.099 0.000 2.299 292 M HA 0.088 4.568 4.480 0.000 0.000 0.264 292 M C 2.177 178.309 176.300 -0.279 0.000 1.095 292 M CA 1.256 56.412 55.300 -0.241 0.000 1.165 292 M CB -0.592 31.690 32.600 -0.529 0.000 1.349 292 M HN 0.129 nan 8.290 nan 0.000 0.446 293 Q N 0.726 120.324 119.800 -0.337 0.000 2.124 293 Q HA -0.116 4.224 4.340 0.000 0.000 0.202 293 Q C 1.700 177.609 176.000 -0.150 0.000 0.977 293 Q CA 1.220 56.817 55.803 -0.345 0.000 0.850 293 Q CB -0.389 27.916 28.738 -0.722 0.000 0.901 293 Q HN 0.564 nan 8.270 nan 0.000 0.429 294 E N 0.344 120.503 120.200 -0.068 0.000 2.472 294 E HA -0.096 4.255 4.350 0.000 0.000 0.200 294 E C 1.707 178.295 176.600 -0.019 0.000 1.046 294 E CA 0.354 56.758 56.400 0.007 0.000 0.871 294 E CB 0.068 29.798 29.700 0.050 0.000 0.806 294 E HN 0.318 nan 8.360 nan 0.000 0.533 295 R N -0.006 120.460 120.500 -0.057 0.000 2.173 295 R HA 0.181 4.521 4.340 0.000 0.000 0.208 295 R C 1.034 177.292 176.300 -0.070 0.000 1.035 295 R CA 0.173 56.239 56.100 -0.056 0.000 1.004 295 R CB 0.237 30.497 30.300 -0.067 0.000 0.917 295 R HN 0.049 nan 8.270 nan 0.000 0.462 296 I N 2.085 122.595 120.570 -0.100 0.000 2.349 296 I HA 0.023 4.193 4.170 0.000 0.000 0.302 296 I C -0.015 176.053 176.117 -0.081 0.000 1.180 296 I CA 0.405 61.639 61.300 -0.110 0.000 1.405 296 I CB 0.246 38.151 38.000 -0.158 0.000 1.474 296 I HN -0.012 nan 8.210 nan 0.000 0.632 297 T N 2.785 117.301 114.554 -0.063 0.000 2.893 297 T HA 0.221 4.571 4.350 0.000 0.000 0.337 297 T C -0.369 174.305 174.700 -0.043 0.000 1.587 297 T CA -0.430 61.641 62.100 -0.048 0.000 1.066 297 T CB 1.534 70.385 68.868 -0.028 0.000 1.414 297 T HN 0.292 nan 8.240 nan 0.000 0.488 298 T N 3.412 117.941 114.554 -0.041 0.000 2.907 298 T HA 0.592 4.943 4.350 0.000 0.000 0.298 298 T C 0.442 175.120 174.700 -0.037 0.000 1.017 298 T CA -0.066 62.013 62.100 -0.036 0.000 1.118 298 T CB 0.707 69.554 68.868 -0.035 0.000 0.948 298 T HN 0.899 nan 8.240 nan 0.000 0.531 299 T N -0.343 114.190 114.554 -0.034 0.000 2.831 299 T HA 0.470 4.820 4.350 0.000 0.000 0.287 299 T C 0.914 175.590 174.700 -0.040 0.000 1.070 299 T CA -1.095 60.981 62.100 -0.041 0.000 1.010 299 T CB 1.458 70.305 68.868 -0.035 0.000 1.264 299 T HN 0.373 nan 8.240 nan 0.000 0.532 300 K N -0.006 120.366 120.400 -0.047 0.000 2.360 300 K HA -0.004 4.316 4.320 0.000 0.000 0.201 300 K C 1.958 178.539 176.600 -0.032 0.000 1.046 300 K CA 1.027 57.289 56.287 -0.042 0.000 0.945 300 K CB -0.065 32.406 32.500 -0.047 0.000 0.750 300 K HN 0.476 nan 8.250 nan 0.000 0.464 301 K N -0.461 119.921 120.400 -0.029 0.000 2.186 301 K HA 0.035 4.355 4.320 0.000 0.000 0.202 301 K C 0.745 177.332 176.600 -0.020 0.000 1.052 301 K CA 0.608 56.880 56.287 -0.026 0.000 0.965 301 K CB 0.648 33.131 32.500 -0.029 0.000 0.746 301 K HN 0.172 nan 8.250 nan 0.000 0.457 302 G N -0.315 108.475 108.800 -0.017 0.000 2.489 302 G HA2 0.181 4.142 3.960 0.000 0.000 0.291 302 G HA3 0.181 4.142 3.960 0.000 0.000 0.291 302 G C -1.725 173.171 174.900 -0.006 0.000 1.487 302 G CA -0.646 44.450 45.100 -0.006 0.000 0.795 302 G HN -0.095 nan 8.290 nan 0.000 0.513 303 S N -0.513 115.188 115.700 0.002 0.000 2.462 303 S HA 0.744 5.214 4.470 0.000 0.000 0.294 303 S C -0.197 174.399 174.600 -0.007 0.000 1.144 303 S CA -0.665 57.531 58.200 -0.005 0.000 1.088 303 S CB 0.340 63.541 63.200 0.000 0.000 1.009 303 S HN 0.458 nan 8.310 nan 0.000 0.484 304 I N 4.231 124.781 120.570 -0.034 0.000 2.410 304 I HA 0.230 4.401 4.170 0.000 0.000 0.286 304 I C -0.272 175.781 176.117 -0.106 0.000 1.009 304 I CA -0.531 60.730 61.300 -0.064 0.000 1.111 304 I CB 2.131 40.092 38.000 -0.066 0.000 1.262 304 I HN 0.491 nan 8.210 nan 0.000 0.443 305 T N 4.378 118.841 114.554 -0.151 0.000 2.739 305 T HA 0.230 4.580 4.350 0.000 0.000 0.298 305 T C 0.250 174.763 174.700 -0.311 0.000 0.929 305 T CA -0.513 61.467 62.100 -0.201 0.000 1.014 305 T CB 0.282 69.029 68.868 -0.201 0.000 0.914 305 T HN 0.654 nan 8.240 nan 0.000 0.509 306 S N 2.343 117.877 115.700 -0.276 0.000 2.451 306 S HA 0.672 5.142 4.470 0.000 0.000 0.301 306 S C -0.378 174.021 174.600 -0.335 0.000 1.116 306 S CA -0.836 57.171 58.200 -0.323 0.000 1.093 306 S CB 1.265 64.323 63.200 -0.236 0.000 1.017 306 S HN 0.377 nan 8.310 nan 0.000 0.482 307 V N 3.723 123.411 119.914 -0.377 0.000 2.376 307 V HA 0.417 4.537 4.120 0.000 0.000 0.287 307 V C -0.565 175.429 176.094 -0.166 0.000 1.015 307 V CA -0.525 61.626 62.300 -0.247 0.000 0.834 307 V CB 1.102 32.867 31.823 -0.097 0.000 1.001 307 V HN 0.957 nan 8.190 nan 0.000 0.428 308 Q N 3.241 122.927 119.800 -0.190 0.000 2.333 308 Q HA 0.734 5.074 4.340 0.000 0.000 0.268 308 Q C -0.158 175.730 176.000 -0.187 0.000 1.007 308 Q CA -0.563 55.124 55.803 -0.194 0.000 0.810 308 Q CB 2.596 31.193 28.738 -0.234 0.000 1.264 308 Q HN 0.854 nan 8.270 nan 0.000 0.452 309 A N 3.674 126.421 122.820 -0.123 0.000 2.409 309 A HA 0.497 4.817 4.320 0.000 0.000 0.262 309 A C -0.349 177.160 177.584 -0.126 0.000 1.113 309 A CA -0.133 51.850 52.037 -0.090 0.000 0.790 309 A CB 0.024 19.025 19.000 0.001 0.000 1.046 309 A HN 0.750 nan 8.150 nan 0.000 0.496 310 I N 2.832 123.282 120.570 -0.200 0.000 2.448 310 I HA 0.167 4.337 4.170 0.000 0.000 0.281 310 I C -0.673 175.402 176.117 -0.070 0.000 1.027 310 I CA -0.450 60.711 61.300 -0.231 0.000 1.111 310 I CB 1.233 38.777 38.000 -0.760 0.000 1.236 310 I HN 0.733 nan 8.210 nan 0.000 0.452 311 Y N 7.071 127.319 120.300 -0.087 0.000 2.411 311 Y HA 0.379 4.929 4.550 0.000 0.000 0.333 311 Y C -0.332 175.386 175.900 -0.303 0.000 1.186 311 Y CA -0.027 57.942 58.100 -0.219 0.000 1.381 311 Y CB 0.910 39.147 38.460 -0.371 0.000 1.273 311 Y HN 0.272 nan 8.280 nan 0.000 0.546 312 V N 8.847 128.202 119.914 -0.932 0.000 2.325 312 V HA 0.290 4.410 4.120 0.000 0.000 0.280 312 V C -2.338 173.197 176.094 -0.932 0.000 1.016 312 V CA -2.066 59.857 62.300 -0.629 0.000 0.818 312 V CB 0.942 32.629 31.823 -0.228 0.000 1.019 312 V HN 0.719 nan 8.190 nan 0.000 0.434 313 P HA 0.184 nan 4.420 nan 0.000 0.268 313 P C 0.633 177.838 177.300 -0.159 0.000 1.204 313 P CA 0.642 63.536 63.100 -0.344 0.000 0.768 313 P CB 0.783 32.504 31.700 0.035 0.000 0.842 314 A N 3.780 126.550 122.820 -0.083 0.000 2.826 314 A HA -0.258 4.062 4.320 0.000 0.000 0.274 314 A C 0.946 178.497 177.584 -0.056 0.000 1.443 314 A CA 1.184 53.203 52.037 -0.029 0.000 0.833 314 A CB -2.612 16.397 19.000 0.014 0.000 1.023 314 A HN 0.634 nan 8.150 nan 0.000 0.600 315 D N -1.574 118.755 120.400 -0.118 0.000 3.070 315 D HA -0.184 4.456 4.640 0.000 0.000 0.220 315 D C -0.123 176.143 176.300 -0.057 0.000 1.176 315 D CA 2.029 55.972 54.000 -0.094 0.000 0.924 315 D CB -1.038 39.733 40.800 -0.048 0.000 1.124 315 D HN 0.908 nan 8.370 nan 0.000 0.411 316 D N 0.214 120.585 120.400 -0.048 0.000 2.380 316 D HA 0.193 4.833 4.640 0.000 0.000 0.230 316 D C 1.457 177.766 176.300 0.015 0.000 1.154 316 D CA -0.325 53.670 54.000 -0.007 0.000 0.859 316 D CB 0.370 41.179 40.800 0.015 0.000 1.045 316 D HN 0.131 nan 8.370 nan 0.000 0.495 317 L N 2.705 123.944 121.223 0.026 0.000 2.456 317 L HA -0.103 4.237 4.340 0.000 0.000 0.224 317 L C 2.203 179.135 176.870 0.103 0.000 1.148 317 L CA 1.120 56.009 54.840 0.081 0.000 0.825 317 L CB -0.265 41.826 42.059 0.054 0.000 0.937 317 L HN 0.464 nan 8.230 nan 0.000 0.450 318 T N -4.993 109.593 114.554 0.053 0.000 3.107 318 T HA -0.049 4.301 4.350 0.000 0.000 0.249 318 T C 0.782 175.532 174.700 0.084 0.000 1.096 318 T CA -0.428 61.703 62.100 0.051 0.000 1.012 318 T CB -0.250 68.629 68.868 0.019 0.000 0.977 318 T HN 0.171 nan 8.240 nan 0.000 0.527 319 D N 2.845 123.306 120.400 0.103 0.000 2.533 319 D HA 0.019 4.659 4.640 0.000 0.000 0.236 319 D C -1.456 174.912 176.300 0.114 0.000 1.137 319 D CA -1.312 52.775 54.000 0.145 0.000 0.867 319 D CB 1.482 42.381 40.800 0.165 0.000 1.170 319 D HN 0.039 nan 8.370 nan 0.000 0.474 320 P HA -0.205 nan 4.420 nan 0.000 0.217 320 P C 0.861 178.071 177.300 -0.150 0.000 1.151 320 P CA 1.923 64.971 63.100 -0.086 0.000 0.849 320 P CB 0.145 31.717 31.700 -0.213 0.000 0.787 321 A N 0.154 122.841 122.820 -0.222 0.000 1.835 321 A HA -0.119 4.201 4.320 0.000 0.000 0.215 321 A C 0.013 177.687 177.584 0.151 0.000 1.199 321 A CA 2.276 54.301 52.037 -0.021 0.000 0.615 321 A CB -2.248 16.923 19.000 0.284 0.000 0.838 321 A HN 0.215 nan 8.150 nan 0.000 0.444 322 P HA -0.118 nan 4.420 nan 0.000 0.217 322 P C 1.602 179.083 177.300 0.301 0.000 1.150 322 P CA 1.985 65.243 63.100 0.264 0.000 0.832 322 P CB -0.226 31.641 31.700 0.278 0.000 0.787 323 A N 0.089 123.094 122.820 0.309 0.000 1.908 323 A HA -0.164 4.156 4.320 0.000 0.000 0.218 323 A C 2.272 180.058 177.584 0.337 0.000 1.181 323 A CA 2.539 54.798 52.037 0.370 0.000 0.627 323 A CB -1.950 17.155 19.000 0.176 0.000 0.818 323 A HN 0.232 nan 8.150 nan 0.000 0.445 324 T N -0.506 114.176 114.554 0.214 0.000 3.023 324 T HA -0.043 4.307 4.350 0.000 0.000 0.266 324 T C 1.793 176.655 174.700 0.270 0.000 1.093 324 T CA 1.573 63.788 62.100 0.191 0.000 1.129 324 T CB -0.293 68.649 68.868 0.122 0.000 0.899 324 T HN 0.569 nan 8.240 nan 0.000 0.491 325 T N 1.639 116.350 114.554 0.262 0.000 2.904 325 T HA 0.071 4.421 4.350 0.000 0.000 0.267 325 T C 1.500 176.374 174.700 0.289 0.000 1.059 325 T CA 0.593 62.841 62.100 0.247 0.000 1.137 325 T CB -0.463 68.449 68.868 0.075 0.000 0.879 325 T HN 0.329 nan 8.240 nan 0.000 0.467 326 F N 2.142 122.281 119.950 0.315 0.000 2.091 326 F HA -0.142 4.385 4.527 0.000 0.000 0.299 326 F C 2.699 178.568 175.800 0.116 0.000 1.103 326 F CA 1.122 59.253 58.000 0.218 0.000 1.228 326 F CB -0.619 38.390 39.000 0.014 0.000 0.984 326 F HN 0.143 nan 8.300 nan 0.000 0.477 327 A N -1.475 121.471 122.820 0.210 0.000 2.178 327 A HA -0.167 4.153 4.320 0.000 0.000 0.218 327 A C 1.579 179.100 177.584 -0.104 0.000 1.157 327 A CA 1.236 53.276 52.037 0.006 0.000 0.689 327 A CB -0.925 18.014 19.000 -0.102 0.000 0.787 327 A HN 0.483 nan 8.150 nan 0.000 0.465 328 H N -1.122 118.001 119.070 0.088 0.000 2.539 328 H HA 0.326 4.882 4.556 0.000 0.000 0.269 328 H C -0.130 175.211 175.328 0.022 0.000 0.980 328 H CA 0.275 56.344 56.048 0.036 0.000 1.152 328 H CB 0.048 29.810 29.762 0.000 0.000 1.407 328 H HN 0.352 nan 8.280 nan 0.000 0.564 329 L N 0.152 121.460 121.223 0.142 0.000 2.333 329 L HA 0.229 4.570 4.340 0.000 0.000 0.269 329 L C 0.744 177.665 176.870 0.085 0.000 1.010 329 L CA -0.629 54.271 54.840 0.099 0.000 0.818 329 L CB 1.930 44.068 42.059 0.132 0.000 1.306 329 L HN -0.119 nan 8.230 nan 0.000 0.430 330 D N 0.649 121.081 120.400 0.054 0.000 2.380 330 D HA 0.204 4.844 4.640 0.000 0.000 0.212 330 D C 0.220 176.570 176.300 0.083 0.000 1.021 330 D CA 0.524 54.558 54.000 0.056 0.000 0.884 330 D CB 1.072 41.891 40.800 0.031 0.000 1.001 330 D HN 0.494 nan 8.370 nan 0.000 0.506 331 A N 0.738 123.609 122.820 0.086 0.000 2.422 331 A HA 0.585 4.905 4.320 0.000 0.000 0.302 331 A C -0.482 177.202 177.584 0.166 0.000 1.041 331 A CA -0.586 51.538 52.037 0.146 0.000 0.708 331 A CB 1.523 20.650 19.000 0.211 0.000 1.257 331 A HN -0.022 nan 8.150 nan 0.000 0.414 332 T N -0.608 114.091 114.554 0.241 0.000 2.841 332 T HA 0.683 5.033 4.350 0.000 0.000 0.285 332 T C -0.525 174.366 174.700 0.318 0.000 0.991 332 T CA -0.492 61.800 62.100 0.320 0.000 0.966 332 T CB 1.293 70.387 68.868 0.377 0.000 0.962 332 T HN 0.457 nan 8.240 nan 0.000 0.438 333 T N 3.221 117.983 114.554 0.346 0.000 2.788 333 T HA 0.491 4.841 4.350 0.000 0.000 0.296 333 T C -0.181 174.711 174.700 0.320 0.000 1.009 333 T CA -0.547 61.738 62.100 0.309 0.000 0.949 333 T CB 0.886 69.954 68.868 0.334 0.000 0.946 333 T HN 0.632 nan 8.240 nan 0.000 0.453 334 V N 5.462 125.526 119.914 0.250 0.000 2.350 334 V HA 0.386 4.506 4.120 0.000 0.000 0.276 334 V C -0.300 175.889 176.094 0.159 0.000 1.028 334 V CA -0.815 61.620 62.300 0.225 0.000 0.860 334 V CB 0.966 32.873 31.823 0.141 0.000 0.990 334 V HN 0.626 nan 8.190 nan 0.000 0.453 335 L N 4.128 125.448 121.223 0.161 0.000 2.343 335 L HA 0.641 4.981 4.340 0.000 0.000 0.275 335 L C 0.332 177.246 176.870 0.075 0.000 1.056 335 L CA 0.523 55.431 54.840 0.113 0.000 0.804 335 L CB 1.757 43.891 42.059 0.126 0.000 1.203 335 L HN 0.672 nan 8.230 nan 0.000 0.440 336 S N 1.409 117.134 115.700 0.041 0.000 2.557 336 S HA 0.415 4.885 4.470 0.000 0.000 0.291 336 S C 0.803 175.401 174.600 -0.004 0.000 1.116 336 S CA -0.693 57.516 58.200 0.015 0.000 0.992 336 S CB 1.118 64.321 63.200 0.005 0.000 1.028 336 S HN 0.699 nan 8.310 nan 0.000 0.484 337 R N 3.252 123.750 120.500 -0.003 0.000 2.120 337 R HA -0.044 4.296 4.340 0.000 0.000 0.234 337 R C 2.035 178.319 176.300 -0.027 0.000 1.123 337 R CA 1.713 57.809 56.100 -0.008 0.000 0.975 337 R CB -0.557 29.744 30.300 0.001 0.000 0.866 337 R HN 0.762 nan 8.270 nan 0.000 0.446 338 A N 0.708 123.513 122.820 -0.025 0.000 1.978 338 A HA -0.134 4.186 4.320 0.000 0.000 0.220 338 A C 2.006 179.563 177.584 -0.045 0.000 1.170 338 A CA 1.281 53.300 52.037 -0.029 0.000 0.636 338 A CB -0.316 18.671 19.000 -0.023 0.000 0.810 338 A HN 0.360 nan 8.150 nan 0.000 0.448 339 I N -1.096 119.440 120.570 -0.057 0.000 2.429 339 I HA -0.083 4.088 4.170 0.000 0.000 0.247 339 I C 2.918 178.925 176.117 -0.183 0.000 1.099 339 I CA 0.738 61.986 61.300 -0.086 0.000 1.422 339 I CB -0.395 37.567 38.000 -0.063 0.000 1.112 339 I HN 0.301 nan 8.210 nan 0.000 0.430 340 A N 0.815 123.503 122.820 -0.220 0.000 1.908 340 A HA -0.297 4.023 4.320 0.000 0.000 0.218 340 A C 2.256 179.668 177.584 -0.285 0.000 1.181 340 A CA 2.158 53.944 52.037 -0.419 0.000 0.627 340 A CB -0.768 18.131 19.000 -0.167 0.000 0.818 340 A HN 0.539 nan 8.150 nan 0.000 0.445 341 E N -0.381 119.746 120.200 -0.121 0.000 2.267 341 E HA -0.166 4.185 4.350 0.000 0.000 0.197 341 E C 1.072 177.635 176.600 -0.063 0.000 0.998 341 E CA 0.966 57.333 56.400 -0.056 0.000 0.830 341 E CB -0.085 29.596 29.700 -0.031 0.000 0.751 341 E HN 0.448 nan 8.360 nan 0.000 0.491 342 L N -0.339 120.824 121.223 -0.100 0.000 2.591 342 L HA 0.213 4.553 4.340 0.000 0.000 0.228 342 L C 1.685 178.500 176.870 -0.093 0.000 1.133 342 L CA 1.183 55.973 54.840 -0.085 0.000 0.880 342 L CB -0.782 41.233 42.059 -0.073 0.000 1.033 342 L HN 0.417 nan 8.230 nan 0.000 0.450 343 G N 0.379 109.109 108.800 -0.117 0.000 2.143 343 G HA2 -0.248 3.712 3.960 0.000 0.000 0.249 343 G HA3 -0.248 3.712 3.960 0.000 0.000 0.249 343 G C 0.399 175.317 174.900 0.030 0.000 0.981 343 G CA -0.234 44.867 45.100 0.002 0.000 0.665 343 G HN 0.216 nan 8.290 nan 0.000 0.528 344 I N 1.099 121.566 120.570 -0.171 0.000 2.308 344 I HA 0.398 4.568 4.170 0.000 0.000 0.293 344 I C -0.011 175.896 176.117 -0.350 0.000 1.078 344 I CA -0.293 60.958 61.300 -0.081 0.000 1.292 344 I CB -0.378 37.601 38.000 -0.035 0.000 1.423 344 I HN 0.112 nan 8.210 nan 0.000 0.493 345 Y N 7.334 127.616 120.300 -0.030 0.000 2.425 345 Y HA 0.387 4.937 4.550 0.000 0.000 0.344 345 Y C -2.047 173.670 175.900 -0.305 0.000 0.969 345 Y CA -2.369 55.637 58.100 -0.156 0.000 1.052 345 Y CB 2.337 40.692 38.460 -0.175 0.000 1.215 345 Y HN 0.416 nan 8.280 nan 0.000 0.451 346 P HA 0.062 nan 4.420 nan 0.000 0.271 346 P C -0.389 176.925 177.300 0.023 0.000 1.218 346 P CA -0.167 62.911 63.100 -0.037 0.000 0.780 346 P CB 1.154 32.851 31.700 -0.005 0.000 0.901 347 A N 3.301 126.155 122.820 0.057 0.000 2.604 347 A HA 0.185 4.505 4.320 0.000 0.000 0.248 347 A C 0.528 178.127 177.584 0.025 0.000 1.466 347 A CA -0.248 51.770 52.037 -0.032 0.000 1.222 347 A CB -1.222 17.744 19.000 -0.057 0.000 0.945 347 A HN 0.374 nan 8.150 nan 0.000 0.600 348 V N 1.303 121.246 119.914 0.048 0.000 2.521 348 V HA 0.022 4.142 4.120 0.000 0.000 0.286 348 V C 0.414 176.534 176.094 0.043 0.000 1.034 348 V CA -0.421 61.921 62.300 0.069 0.000 1.045 348 V CB 0.935 32.809 31.823 0.085 0.000 0.974 348 V HN 0.556 nan 8.190 nan 0.000 0.480 349 D N 8.377 128.806 120.400 0.049 0.000 2.342 349 D HA 0.135 4.775 4.640 0.000 0.000 0.260 349 D C -1.257 175.059 176.300 0.026 0.000 1.278 349 D CA -1.891 52.127 54.000 0.031 0.000 0.910 349 D CB 1.690 42.507 40.800 0.028 0.000 1.079 349 D HN 0.294 nan 8.370 nan 0.000 0.496 350 P HA -0.031 nan 4.420 nan 0.000 0.233 350 P C 0.964 178.258 177.300 -0.009 0.000 1.167 350 P CA 0.502 63.599 63.100 -0.004 0.000 0.770 350 P CB 0.339 32.029 31.700 -0.017 0.000 0.837 351 L N -0.884 120.336 121.223 -0.005 0.000 2.818 351 L HA 0.312 4.652 4.340 0.000 0.000 0.243 351 L C 0.759 177.617 176.870 -0.020 0.000 1.185 351 L CA 0.305 55.136 54.840 -0.014 0.000 0.988 351 L CB -0.026 42.025 42.059 -0.014 0.000 1.292 351 L HN -0.170 nan 8.230 nan 0.000 0.519 352 D N -0.950 119.446 120.400 -0.007 0.000 2.615 352 D HA 0.107 4.747 4.640 0.000 0.000 0.274 352 D C -0.287 176.028 176.300 0.026 0.000 1.512 352 D CA 0.199 54.190 54.000 -0.015 0.000 0.803 352 D CB 0.837 41.622 40.800 -0.025 0.000 1.182 352 D HN -0.109 nan 8.370 nan 0.000 0.473 353 S N -0.114 115.614 115.700 0.046 0.000 2.473 353 S HA 0.734 5.204 4.470 0.000 0.000 0.307 353 S C -0.140 174.507 174.600 0.079 0.000 1.094 353 S CA -0.605 57.651 58.200 0.094 0.000 1.070 353 S CB 1.871 65.134 63.200 0.106 0.000 1.019 353 S HN 0.262 nan 8.310 nan 0.000 0.480 354 T N -0.916 113.705 114.554 0.112 0.000 2.883 354 T HA 0.840 5.190 4.350 0.000 0.000 0.296 354 T C -0.726 174.048 174.700 0.123 0.000 1.117 354 T CA -0.876 61.279 62.100 0.092 0.000 1.006 354 T CB 1.870 70.781 68.868 0.072 0.000 1.191 354 T HN 0.470 nan 8.240 nan 0.000 0.508 355 S N -0.677 115.083 115.700 0.100 0.000 2.543 355 S HA 0.391 4.861 4.470 0.000 0.000 0.271 355 S C 0.751 175.397 174.600 0.077 0.000 1.148 355 S CA -0.758 57.506 58.200 0.107 0.000 0.914 355 S CB 1.953 65.224 63.200 0.119 0.000 1.096 355 S HN 0.942 nan 8.310 nan 0.000 0.471 356 R N 2.464 123.005 120.500 0.070 0.000 2.117 356 R HA -0.088 4.252 4.340 0.000 0.000 0.243 356 R C 1.759 178.080 176.300 0.035 0.000 1.143 356 R CA 2.484 58.613 56.100 0.048 0.000 0.968 356 R CB -0.527 29.798 30.300 0.041 0.000 0.863 356 R HN 0.837 nan 8.270 nan 0.000 0.444 357 I N -2.014 118.578 120.570 0.037 0.000 3.684 357 I HA 0.130 4.300 4.170 0.000 0.000 0.304 357 I C 0.545 176.659 176.117 -0.005 0.000 1.278 357 I CA -0.150 61.157 61.300 0.013 0.000 1.272 357 I CB 0.040 38.050 38.000 0.017 0.000 1.029 357 I HN 0.000 nan 8.210 nan 0.000 0.458 358 M N 3.288 122.903 119.600 0.024 0.000 3.070 358 M HA 0.249 4.729 4.480 0.000 0.000 0.275 358 M C -0.865 175.516 176.300 0.136 0.000 1.510 358 M CA -0.063 55.274 55.300 0.061 0.000 1.608 358 M CB -1.440 31.204 32.600 0.073 0.000 1.266 358 M HN 0.294 nan 8.290 nan 0.000 0.514 359 D N 4.773 125.190 120.400 0.028 0.000 2.977 359 D HA 0.354 4.994 4.640 0.000 0.000 0.220 359 D C -2.466 173.688 176.300 -0.244 0.000 1.267 359 D CA -1.323 52.581 54.000 -0.160 0.000 0.884 359 D CB 2.385 43.125 40.800 -0.101 0.000 1.667 359 D HN 0.150 nan 8.370 nan 0.000 0.536 360 P HA -0.099 nan 4.420 nan 0.000 0.219 360 P C 0.734 177.946 177.300 -0.147 0.000 1.146 360 P CA 0.799 63.708 63.100 -0.318 0.000 0.808 360 P CB 0.462 31.894 31.700 -0.446 0.000 0.779 361 N N -0.568 118.043 118.700 -0.149 0.000 2.494 361 N HA 0.022 4.762 4.740 0.000 0.000 0.182 361 N C 1.779 177.257 175.510 -0.053 0.000 1.076 361 N CA 0.775 53.775 53.050 -0.082 0.000 0.908 361 N CB 0.013 38.454 38.487 -0.078 0.000 0.967 361 N HN 0.333 nan 8.380 nan 0.000 0.449 362 I N -0.248 120.288 120.570 -0.058 0.000 3.136 362 I HA -0.059 4.111 4.170 0.000 0.000 0.262 362 I C 1.913 178.018 176.117 -0.021 0.000 1.132 362 I CA 0.340 61.620 61.300 -0.033 0.000 1.450 362 I CB 0.018 37.999 38.000 -0.033 0.000 1.315 362 I HN -0.134 nan 8.210 nan 0.000 0.460 363 V N -0.868 119.019 119.914 -0.045 0.000 3.406 363 V HA 0.518 4.638 4.120 0.000 0.000 0.263 363 V C 0.908 177.038 176.094 0.059 0.000 1.172 363 V CA 0.199 62.476 62.300 -0.037 0.000 1.140 363 V CB -1.148 30.487 31.823 -0.313 0.000 0.784 363 V HN 0.523 nan 8.190 nan 0.000 0.467 364 G N 0.901 109.725 108.800 0.040 0.000 2.690 364 G HA2 -0.109 3.851 3.960 0.000 0.000 0.686 364 G HA3 -0.109 3.851 3.960 0.000 0.000 0.686 364 G C 0.423 175.388 174.900 0.108 0.000 1.277 364 G CA 0.298 45.440 45.100 0.069 0.000 0.799 364 G HN 1.235 nan 8.290 nan 0.000 0.613 365 S N -0.323 115.432 115.700 0.091 0.000 2.383 365 S HA -0.088 4.382 4.470 0.000 0.000 0.227 365 S C 1.836 176.538 174.600 0.170 0.000 1.026 365 S CA 1.874 60.148 58.200 0.124 0.000 0.981 365 S CB -0.171 63.076 63.200 0.078 0.000 0.818 365 S HN 1.025 nan 8.310 nan 0.000 0.472 366 E N 1.152 121.437 120.200 0.142 0.000 2.023 366 E HA -0.297 4.053 4.350 0.000 0.000 0.196 366 E C 2.065 178.776 176.600 0.185 0.000 1.003 366 E CA 1.516 57.998 56.400 0.136 0.000 0.809 366 E CB -0.503 29.259 29.700 0.105 0.000 0.755 366 E HN 0.841 nan 8.360 nan 0.000 0.449 367 H N -1.621 117.505 119.070 0.092 0.000 2.289 367 H HA -0.242 4.314 4.556 0.000 0.000 0.296 367 H C 2.150 177.533 175.328 0.090 0.000 1.091 367 H CA 1.842 57.941 56.048 0.085 0.000 1.274 367 H CB -0.183 29.630 29.762 0.084 0.000 1.364 367 H HN 0.322 nan 8.280 nan 0.000 0.490 368 Y N 1.451 121.842 120.300 0.152 0.000 2.181 368 Y HA -0.220 4.330 4.550 0.000 0.000 0.288 368 Y C 1.998 177.937 175.900 0.065 0.000 1.146 368 Y CA 1.894 60.024 58.100 0.051 0.000 1.164 368 Y CB -0.298 38.160 38.460 -0.003 0.000 0.982 368 Y HN 0.324 nan 8.280 nan 0.000 0.515 369 D N -0.559 119.922 120.400 0.135 0.000 2.117 369 D HA -0.180 4.460 4.640 0.000 0.000 0.197 369 D C 2.360 178.651 176.300 -0.015 0.000 0.987 369 D CA 1.796 55.823 54.000 0.044 0.000 0.829 369 D CB -0.447 40.415 40.800 0.103 0.000 0.961 369 D HN 0.307 nan 8.370 nan 0.000 0.460 370 V N 1.145 121.078 119.914 0.032 0.000 2.358 370 V HA -0.190 3.930 4.120 0.000 0.000 0.246 370 V C 2.490 178.564 176.094 -0.033 0.000 1.047 370 V CA 1.657 63.974 62.300 0.028 0.000 1.035 370 V CB -0.891 30.974 31.823 0.070 0.000 0.658 370 V HN 0.176 nan 8.190 nan 0.000 0.452 371 A N 0.173 122.963 122.820 -0.049 0.000 1.877 371 A HA -0.196 4.124 4.320 0.000 0.000 0.216 371 A C 2.354 179.828 177.584 -0.183 0.000 1.186 371 A CA 1.587 53.555 52.037 -0.114 0.000 0.620 371 A CB -0.442 18.519 19.000 -0.064 0.000 0.822 371 A HN 0.387 nan 8.150 nan 0.000 0.443 372 R N -0.504 119.826 120.500 -0.283 0.000 2.092 372 R HA -0.061 4.279 4.340 0.000 0.000 0.231 372 R C 2.335 178.557 176.300 -0.131 0.000 1.119 372 R CA 1.169 57.111 56.100 -0.263 0.000 0.970 372 R CB -1.604 28.460 30.300 -0.393 0.000 0.864 372 R HN 0.535 nan 8.270 nan 0.000 0.440 373 G N 0.383 109.128 108.800 -0.093 0.000 2.418 373 G HA2 -0.198 3.762 3.960 0.000 0.000 0.217 373 G HA3 -0.198 3.762 3.960 0.000 0.000 0.217 373 G C 1.571 176.455 174.900 -0.026 0.000 1.158 373 G CA 0.772 45.850 45.100 -0.038 0.000 0.771 373 G HN 0.170 nan 8.290 nan 0.000 0.545 374 V N 0.500 120.390 119.914 -0.041 0.000 2.295 374 V HA -0.249 3.871 4.120 0.000 0.000 0.246 374 V C 2.928 178.998 176.094 -0.041 0.000 1.049 374 V CA 2.303 64.581 62.300 -0.038 0.000 1.024 374 V CB -0.566 31.182 31.823 -0.126 0.000 0.648 374 V HN 0.436 nan 8.190 nan 0.000 0.447 375 Q N -0.402 119.359 119.800 -0.066 0.000 2.084 375 Q HA -0.243 4.097 4.340 0.000 0.000 0.202 375 Q C 2.385 178.370 176.000 -0.025 0.000 0.978 375 Q CA 1.743 57.516 55.803 -0.050 0.000 0.844 375 Q CB -0.228 28.468 28.738 -0.070 0.000 0.898 375 Q HN 0.566 nan 8.270 nan 0.000 0.426 376 K N 0.984 121.367 120.400 -0.028 0.000 2.009 376 K HA -0.174 4.146 4.320 0.000 0.000 0.210 376 K C 2.028 178.634 176.600 0.010 0.000 1.049 376 K CA 1.198 57.478 56.287 -0.011 0.000 0.929 376 K CB -0.195 32.297 32.500 -0.014 0.000 0.714 376 K HN 0.186 nan 8.250 nan 0.000 0.440 377 I N 1.049 121.627 120.570 0.013 0.000 2.286 377 I HA -0.281 3.889 4.170 0.000 0.000 0.248 377 I C 1.891 178.047 176.117 0.065 0.000 1.115 377 I CA 1.103 62.422 61.300 0.030 0.000 1.392 377 I CB 0.091 38.100 38.000 0.016 0.000 1.065 377 I HN 0.238 nan 8.210 nan 0.000 0.418 378 L N -0.088 121.171 121.223 0.059 0.000 2.109 378 L HA -0.205 4.136 4.340 0.000 0.000 0.207 378 L C 2.530 179.459 176.870 0.098 0.000 1.086 378 L CA 0.989 55.890 54.840 0.101 0.000 0.760 378 L CB -0.565 41.533 42.059 0.065 0.000 0.910 378 L HN 0.302 nan 8.230 nan 0.000 0.437 379 Q N 0.270 120.098 119.800 0.046 0.000 2.123 379 Q HA -0.182 4.158 4.340 0.000 0.000 0.199 379 Q C 1.688 177.702 176.000 0.024 0.000 0.966 379 Q CA 1.550 57.365 55.803 0.021 0.000 0.845 379 Q CB -0.023 28.715 28.738 0.001 0.000 0.907 379 Q HN 0.353 nan 8.270 nan 0.000 0.439 380 D N -0.887 119.540 120.400 0.044 0.000 2.097 380 D HA -0.182 4.458 4.640 0.000 0.000 0.195 380 D C 1.550 177.899 176.300 0.081 0.000 0.989 380 D CA 1.239 55.269 54.000 0.049 0.000 0.827 380 D CB -0.453 40.377 40.800 0.051 0.000 0.966 380 D HN 0.344 nan 8.370 nan 0.000 0.456 381 Y N 1.789 122.082 120.300 -0.012 0.000 2.145 381 Y HA -0.175 4.375 4.550 0.000 0.000 0.286 381 Y C 2.234 178.127 175.900 -0.012 0.000 1.145 381 Y CA 1.665 59.758 58.100 -0.011 0.000 1.148 381 Y CB -0.216 38.238 38.460 -0.010 0.000 0.981 381 Y HN -0.186 nan 8.280 nan 0.000 0.507 382 K N -0.428 119.878 120.400 -0.157 0.000 2.074 382 K HA -0.185 4.135 4.320 0.000 0.000 0.209 382 K C 2.174 178.657 176.600 -0.195 0.000 1.048 382 K CA 1.870 58.020 56.287 -0.229 0.000 0.926 382 K CB -0.302 32.147 32.500 -0.085 0.000 0.713 382 K HN 0.309 nan 8.250 nan 0.000 0.444 383 S N 0.674 116.306 115.700 -0.113 0.000 2.447 383 S HA -0.024 4.446 4.470 0.000 0.000 0.233 383 S C 1.687 176.231 174.600 -0.093 0.000 1.006 383 S CA 0.729 58.880 58.200 -0.083 0.000 0.957 383 S CB -0.002 63.172 63.200 -0.044 0.000 0.773 383 S HN 0.254 nan 8.310 nan 0.000 0.507 384 L N 0.786 121.939 121.223 -0.117 0.000 2.202 384 L HA 0.027 4.367 4.340 0.000 0.000 0.205 384 L C 2.555 179.339 176.870 -0.144 0.000 1.083 384 L CA 0.514 55.299 54.840 -0.092 0.000 0.790 384 L CB -0.429 41.617 42.059 -0.020 0.000 0.942 384 L HN 0.250 nan 8.230 nan 0.000 0.452 385 Q N 0.402 120.021 119.800 -0.302 0.000 2.103 385 Q HA -0.311 4.029 4.340 0.000 0.000 0.213 385 Q C 1.628 177.539 176.000 -0.149 0.000 1.008 385 Q CA 2.336 57.953 55.803 -0.310 0.000 0.879 385 Q CB -0.220 28.256 28.738 -0.437 0.000 0.946 385 Q HN 0.498 nan 8.270 nan 0.000 0.413 386 D N -0.204 120.120 120.400 -0.127 0.000 2.183 386 D HA -0.070 4.570 4.640 0.000 0.000 0.203 386 D C 1.786 178.053 176.300 -0.055 0.000 0.969 386 D CA 0.829 54.782 54.000 -0.080 0.000 0.842 386 D CB -0.113 40.644 40.800 -0.072 0.000 0.957 386 D HN 0.289 nan 8.370 nan 0.000 0.484 387 I N 0.995 121.533 120.570 -0.053 0.000 2.233 387 I HA -0.158 4.012 4.170 0.000 0.000 0.243 387 I C 2.439 178.542 176.117 -0.024 0.000 1.093 387 I CA 0.732 62.012 61.300 -0.033 0.000 1.380 387 I CB -0.343 37.640 38.000 -0.028 0.000 1.067 387 I HN 0.015 nan 8.210 nan 0.000 0.413 388 I N -0.433 120.122 120.570 -0.025 0.000 2.676 388 I HA -0.049 4.121 4.170 0.000 0.000 0.259 388 I C 2.523 178.636 176.117 -0.007 0.000 1.194 388 I CA 1.264 62.560 61.300 -0.007 0.000 1.473 388 I CB -0.423 37.585 38.000 0.013 0.000 1.096 388 I HN 0.034 nan 8.210 nan 0.000 0.443 389 A N 1.589 124.396 122.820 -0.020 0.000 2.019 389 A HA -0.005 4.315 4.320 0.000 0.000 0.219 389 A C 2.234 179.811 177.584 -0.012 0.000 1.164 389 A CA 1.722 53.749 52.037 -0.016 0.000 0.644 389 A CB -0.627 18.357 19.000 -0.028 0.000 0.805 389 A HN 0.615 nan 8.150 nan 0.000 0.449 390 I N -1.781 118.782 120.570 -0.013 0.000 3.194 390 I HA 0.046 4.216 4.170 0.000 0.000 0.271 390 I C 1.867 177.981 176.117 -0.006 0.000 1.150 390 I CA 0.407 61.700 61.300 -0.010 0.000 1.440 390 I CB 0.028 38.021 38.000 -0.013 0.000 1.276 390 I HN 0.159 nan 8.210 nan 0.000 0.457 391 L N 0.494 121.713 121.223 -0.006 0.000 2.477 391 L HA 0.341 4.681 4.340 0.000 0.000 0.220 391 L C 0.784 177.654 176.870 0.001 0.000 1.106 391 L CA 0.233 55.071 54.840 -0.003 0.000 0.851 391 L CB -0.310 41.747 42.059 -0.003 0.000 0.994 391 L HN 0.392 nan 8.230 nan 0.000 0.462 392 G N -0.354 108.448 108.800 0.003 0.000 2.675 392 G HA2 -0.252 3.708 3.960 0.000 0.000 0.686 392 G HA3 -0.252 3.708 3.960 0.000 0.000 0.686 392 G C -0.066 174.842 174.900 0.013 0.000 1.215 392 G CA -0.128 44.977 45.100 0.008 0.000 0.777 392 G HN -0.041 nan 8.290 nan 0.000 0.638 393 M N 0.520 120.131 119.600 0.018 0.000 2.149 393 M HA 0.001 4.481 4.480 0.000 0.000 0.261 393 M C 1.964 178.275 176.300 0.019 0.000 1.064 393 M CA 2.766 58.080 55.300 0.024 0.000 1.102 393 M CB -0.260 32.356 32.600 0.027 0.000 1.369 393 M HN 0.598 nan 8.290 nan 0.000 0.408 394 D N -0.236 120.172 120.400 0.014 0.000 2.310 394 D HA -0.133 4.507 4.640 0.000 0.000 0.212 394 D C 1.554 177.860 176.300 0.010 0.000 0.965 394 D CA 0.778 54.784 54.000 0.011 0.000 0.879 394 D CB -0.152 40.653 40.800 0.009 0.000 0.921 394 D HN 0.478 nan 8.370 nan 0.000 0.510 395 E N 0.247 120.453 120.200 0.010 0.000 2.371 395 E HA 0.062 4.412 4.350 0.000 0.000 0.194 395 E C 0.935 177.541 176.600 0.010 0.000 1.012 395 E CA -0.047 56.357 56.400 0.008 0.000 0.860 395 E CB 0.396 30.099 29.700 0.006 0.000 0.811 395 E HN 0.361 nan 8.360 nan 0.000 0.502 396 L N 1.253 122.484 121.223 0.014 0.000 2.426 396 L HA 0.053 4.393 4.340 0.000 0.000 0.271 396 L C 0.998 177.876 176.870 0.014 0.000 1.169 396 L CA -0.177 54.673 54.840 0.016 0.000 0.836 396 L CB 0.795 42.869 42.059 0.025 0.000 1.112 396 L HN -0.079 nan 8.230 nan 0.000 0.465 397 S N 1.109 116.817 115.700 0.013 0.000 2.589 397 S HA 0.016 4.486 4.470 0.000 0.000 0.265 397 S C 1.198 175.805 174.600 0.011 0.000 1.342 397 S CA -0.535 57.671 58.200 0.010 0.000 1.005 397 S CB 0.752 63.957 63.200 0.009 0.000 0.909 397 S HN 0.643 nan 8.310 nan 0.000 0.555 398 E N 1.716 121.921 120.200 0.009 0.000 2.118 398 E HA -0.144 4.206 4.350 0.000 0.000 0.195 398 E C 1.835 178.440 176.600 0.008 0.000 0.992 398 E CA 1.220 57.625 56.400 0.008 0.000 0.804 398 E CB -0.175 29.529 29.700 0.006 0.000 0.741 398 E HN 0.656 nan 8.360 nan 0.000 0.458 399 E N 0.823 121.028 120.200 0.008 0.000 2.110 399 E HA -0.154 4.196 4.350 0.000 0.000 0.193 399 E C 1.639 178.247 176.600 0.013 0.000 0.988 399 E CA 0.845 57.250 56.400 0.008 0.000 0.804 399 E CB -0.156 29.549 29.700 0.008 0.000 0.745 399 E HN 0.244 nan 8.360 nan 0.000 0.458 400 D N 0.790 121.200 120.400 0.018 0.000 2.149 400 D HA -0.102 4.538 4.640 0.000 0.000 0.201 400 D C 1.889 178.210 176.300 0.034 0.000 0.972 400 D CA 1.207 55.224 54.000 0.028 0.000 0.835 400 D CB -0.006 40.812 40.800 0.029 0.000 0.966 400 D HN 0.307 nan 8.370 nan 0.000 0.476 401 K N -0.114 120.301 120.400 0.024 0.000 2.366 401 K HA 0.006 4.326 4.320 0.000 0.000 0.198 401 K C 1.796 178.398 176.600 0.003 0.000 1.044 401 K CA 0.322 56.621 56.287 0.021 0.000 0.973 401 K CB -0.021 32.491 32.500 0.019 0.000 0.767 401 K HN 0.015 nan 8.250 nan 0.000 0.475 402 L N 2.627 123.851 121.223 0.001 0.000 2.072 402 L HA -0.086 4.254 4.340 0.000 0.000 0.205 402 L C 2.362 179.217 176.870 -0.024 0.000 1.079 402 L CA 2.105 56.938 54.840 -0.011 0.000 0.752 402 L CB -0.643 41.413 42.059 -0.006 0.000 0.906 402 L HN 0.488 nan 8.230 nan 0.000 0.436 403 T N -4.660 109.889 114.554 -0.008 0.000 2.915 403 T HA -0.111 4.239 4.350 0.000 0.000 0.269 403 T C 1.880 176.557 174.700 -0.038 0.000 1.071 403 T CA 1.269 63.364 62.100 -0.009 0.000 1.132 403 T CB -0.867 68.016 68.868 0.024 0.000 0.878 403 T HN 0.098 nan 8.240 nan 0.000 0.479 404 V N 2.662 122.564 119.914 -0.021 0.000 2.270 404 V HA -0.164 3.956 4.120 0.000 0.000 0.245 404 V C 3.239 179.185 176.094 -0.247 0.000 1.043 404 V CA 2.148 64.392 62.300 -0.093 0.000 1.014 404 V CB -0.943 30.914 31.823 0.056 0.000 0.645 404 V HN 0.782 nan 8.190 nan 0.000 0.447 405 S N 0.461 116.079 115.700 -0.136 0.000 2.368 405 S HA -0.241 4.229 4.470 0.000 0.000 0.225 405 S C 2.082 176.574 174.600 -0.180 0.000 1.030 405 S CA 1.501 59.619 58.200 -0.138 0.000 0.999 405 S CB -0.514 62.644 63.200 -0.070 0.000 0.844 405 S HN 0.552 nan 8.310 nan 0.000 0.459 406 R N 1.354 121.760 120.500 -0.157 0.000 2.092 406 R HA 0.128 4.468 4.340 0.000 0.000 0.231 406 R C 2.789 178.972 176.300 -0.196 0.000 1.119 406 R CA 1.220 57.217 56.100 -0.171 0.000 0.970 406 R CB -0.775 29.462 30.300 -0.106 0.000 0.864 406 R HN 0.589 nan 8.270 nan 0.000 0.440 407 A N 1.202 123.890 122.820 -0.219 0.000 1.933 407 A HA -0.165 4.155 4.320 0.000 0.000 0.218 407 A C 2.040 179.442 177.584 -0.303 0.000 1.175 407 A CA 1.219 53.111 52.037 -0.241 0.000 0.628 407 A CB -0.315 18.497 19.000 -0.313 0.000 0.814 407 A HN 0.215 nan 8.150 nan 0.000 0.444 408 R N -0.442 119.808 120.500 -0.416 0.000 2.115 408 R HA -0.047 4.293 4.340 0.000 0.000 0.226 408 R C 2.072 178.270 176.300 -0.170 0.000 1.100 408 R CA 1.431 57.347 56.100 -0.307 0.000 0.980 408 R CB -0.181 29.939 30.300 -0.301 0.000 0.875 408 R HN 0.500 nan 8.270 nan 0.000 0.445 409 K N 0.397 120.651 120.400 -0.243 0.000 2.103 409 K HA -0.032 4.288 4.320 0.000 0.000 0.204 409 K C 1.980 178.417 176.600 -0.272 0.000 1.052 409 K CA 1.001 57.053 56.287 -0.392 0.000 0.945 409 K CB -0.015 31.992 32.500 -0.823 0.000 0.722 409 K HN 0.078 nan 8.250 nan 0.000 0.443 410 I N 1.526 122.009 120.570 -0.145 0.000 2.226 410 I HA -0.312 3.858 4.170 0.000 0.000 0.245 410 I C 2.460 178.708 176.117 0.217 0.000 1.100 410 I CA 1.370 62.739 61.300 0.115 0.000 1.374 410 I CB -0.141 37.944 38.000 0.142 0.000 1.057 410 I HN 0.212 nan 8.210 nan 0.000 0.413 411 Q N 0.139 119.995 119.800 0.094 0.000 2.096 411 Q HA -0.257 4.083 4.340 0.000 0.000 0.204 411 Q C 2.396 178.487 176.000 0.152 0.000 0.982 411 Q CA 1.682 57.549 55.803 0.107 0.000 0.850 411 Q CB -0.134 28.638 28.738 0.057 0.000 0.901 411 Q HN 0.449 nan 8.270 nan 0.000 0.422 412 R N -0.660 119.938 120.500 0.163 0.000 2.090 412 R HA -0.087 4.253 4.340 0.000 0.000 0.228 412 R C 1.862 178.336 176.300 0.290 0.000 1.110 412 R CA 0.920 57.175 56.100 0.258 0.000 0.973 412 R CB -0.169 30.303 30.300 0.286 0.000 0.869 412 R HN 0.159 nan 8.270 nan 0.000 0.440 413 F N 0.790 120.801 119.950 0.101 0.000 2.604 413 F HA 0.030 4.557 4.527 0.000 0.000 0.298 413 F C 1.354 177.262 175.800 0.181 0.000 1.131 413 F CA 0.805 58.823 58.000 0.030 0.000 1.457 413 F CB 0.146 38.991 39.000 -0.257 0.000 1.095 413 F HN -0.060 nan 8.300 nan 0.000 0.574 414 L N -0.673 120.708 121.223 0.265 0.000 2.341 414 L HA 0.005 4.345 4.340 0.000 0.000 0.214 414 L C 1.488 178.377 176.870 0.032 0.000 1.115 414 L CA 0.333 55.291 54.840 0.197 0.000 0.820 414 L CB -0.677 41.483 42.059 0.168 0.000 0.944 414 L HN 0.093 nan 8.230 nan 0.000 0.452 415 S N -0.077 115.631 115.700 0.014 0.000 2.585 415 S HA 0.306 4.776 4.470 0.000 0.000 0.273 415 S C -0.332 174.169 174.600 -0.165 0.000 1.339 415 S CA -0.430 57.730 58.200 -0.067 0.000 1.028 415 S CB 1.698 64.878 63.200 -0.033 0.000 0.906 415 S HN 0.293 nan 8.310 nan 0.000 0.528 416 Q N 0.954 120.626 119.800 -0.214 0.000 2.378 416 Q HA 0.382 4.722 4.340 0.000 0.000 0.262 416 Q C -3.146 172.725 176.000 -0.215 0.000 0.978 416 Q CA -1.819 53.874 55.803 -0.184 0.000 0.918 416 Q CB 2.268 30.978 28.738 -0.047 0.000 1.415 416 Q HN 0.563 nan 8.270 nan 0.000 0.409 417 P HA 0.178 nan 4.420 nan 0.000 0.282 417 P C -0.994 176.422 177.300 0.194 0.000 1.274 417 P CA 0.283 63.361 63.100 -0.036 0.000 0.770 417 P CB 0.140 31.822 31.700 -0.029 0.000 0.867 418 F N 1.548 121.510 119.950 0.020 0.000 2.385 418 F HA 0.195 4.722 4.527 0.000 0.000 0.336 418 F C 2.298 178.113 175.800 0.024 0.000 1.100 418 F CA -0.754 57.262 58.000 0.026 0.000 1.116 418 F CB 1.629 40.657 39.000 0.046 0.000 1.166 418 F HN 0.392 nan 8.300 nan 0.000 0.511 419 Q N 1.579 121.484 119.800 0.175 0.000 2.135 419 Q HA -0.160 4.180 4.340 0.000 0.000 0.204 419 Q C 1.848 177.891 176.000 0.071 0.000 0.981 419 Q CA 1.845 57.696 55.803 0.079 0.000 0.856 419 Q CB 0.029 28.780 28.738 0.021 0.000 0.902 419 Q HN 0.712 nan 8.270 nan 0.000 0.425 420 V N -2.863 117.109 119.914 0.096 0.000 3.510 420 V HA 0.196 4.316 4.120 0.000 0.000 0.270 420 V C 1.245 177.427 176.094 0.146 0.000 1.201 420 V CA 1.170 63.524 62.300 0.089 0.000 1.166 420 V CB -0.148 31.723 31.823 0.080 0.000 0.825 420 V HN 0.303 nan 8.190 nan 0.000 0.484 421 A N -0.501 122.443 122.820 0.206 0.000 2.503 421 A HA 0.362 4.682 4.320 0.000 0.000 0.263 421 A C 1.671 179.305 177.584 0.083 0.000 1.258 421 A CA 0.165 52.366 52.037 0.273 0.000 0.936 421 A CB -0.206 18.985 19.000 0.319 0.000 1.070 421 A HN 0.522 nan 8.150 nan 0.000 0.522 422 E N 0.175 120.372 120.200 -0.004 0.000 2.160 422 E HA -0.179 4.171 4.350 0.000 0.000 0.195 422 E C 1.861 178.378 176.600 -0.139 0.000 0.991 422 E CA 1.660 58.037 56.400 -0.038 0.000 0.810 422 E CB -0.317 29.362 29.700 -0.034 0.000 0.742 422 E HN 0.651 nan 8.360 nan 0.000 0.466 423 V N -1.802 117.912 119.914 -0.334 0.000 3.078 423 V HA -0.141 3.979 4.120 0.000 0.000 0.265 423 V C 1.536 177.343 176.094 -0.477 0.000 1.122 423 V CA 1.349 63.365 62.300 -0.474 0.000 1.141 423 V CB -0.766 30.651 31.823 -0.677 0.000 0.735 423 V HN 0.145 nan 8.190 nan 0.000 0.498 424 F N 1.360 121.294 119.950 -0.027 0.000 2.602 424 F HA 0.119 4.646 4.527 0.000 0.000 0.284 424 F C 2.599 178.387 175.800 -0.020 0.000 1.111 424 F CA 0.752 58.724 58.000 -0.046 0.000 1.405 424 F CB -0.203 38.728 39.000 -0.115 0.000 1.121 424 F HN 0.217 nan 8.300 nan 0.000 0.603 425 T N -3.294 111.355 114.554 0.159 0.000 3.031 425 T HA 0.330 4.680 4.350 0.000 0.000 0.254 425 T C 1.920 176.700 174.700 0.133 0.000 1.060 425 T CA 0.768 62.978 62.100 0.184 0.000 1.135 425 T CB 0.050 69.039 68.868 0.202 0.000 0.896 425 T HN 0.400 nan 8.240 nan 0.000 0.472 426 G N 1.132 109.938 108.800 0.010 0.000 2.162 426 G HA2 -0.223 3.737 3.960 0.000 0.000 0.260 426 G HA3 -0.223 3.737 3.960 0.000 0.000 0.260 426 G C -0.134 174.608 174.900 -0.264 0.000 0.976 426 G CA 0.400 45.424 45.100 -0.127 0.000 0.655 426 G HN 0.816 nan 8.290 nan 0.000 0.533 427 H N -1.322 117.745 119.070 -0.006 0.000 2.529 427 H HA 0.637 5.193 4.556 0.000 0.000 0.348 427 H C 0.216 175.539 175.328 -0.008 0.000 1.152 427 H CA -0.975 55.066 56.048 -0.012 0.000 1.202 427 H CB 1.639 31.385 29.762 -0.026 0.000 1.562 427 H HN 0.191 nan 8.280 nan 0.000 0.515 428 L N 1.992 123.280 121.223 0.108 0.000 2.490 428 L HA 0.209 4.549 4.340 0.000 0.000 0.274 428 L C 0.946 177.864 176.870 0.079 0.000 1.201 428 L CA 0.468 55.347 54.840 0.065 0.000 0.869 428 L CB 0.251 42.335 42.059 0.042 0.000 1.123 428 L HN 0.853 nan 8.230 nan 0.000 0.484 429 G N 4.099 112.940 108.800 0.070 0.000 2.544 429 G HA2 0.300 4.260 3.960 0.000 0.000 0.242 429 G HA3 0.300 4.260 3.960 0.000 0.000 0.242 429 G C -0.603 174.337 174.900 0.066 0.000 1.247 429 G CA -0.486 44.668 45.100 0.090 0.000 0.840 429 G HN 0.535 nan 8.290 nan 0.000 0.578 430 K N 0.518 120.967 120.400 0.082 0.000 2.464 430 K HA 0.412 4.733 4.320 0.000 0.000 0.253 430 K C -1.379 175.252 176.600 0.051 0.000 0.933 430 K CA -0.711 55.605 56.287 0.050 0.000 0.801 430 K CB 2.872 35.388 32.500 0.028 0.000 1.271 430 K HN 0.379 nan 8.250 nan 0.000 0.430 431 L N 2.248 123.485 121.223 0.023 0.000 2.325 431 L HA 0.435 4.776 4.340 0.000 0.000 0.281 431 L C -1.168 175.709 176.870 0.011 0.000 1.004 431 L CA -0.887 53.960 54.840 0.010 0.000 0.823 431 L CB 1.597 43.654 42.059 -0.004 0.000 1.236 431 L HN 0.255 nan 8.230 nan 0.000 0.415 432 V N 6.123 126.043 119.914 0.010 0.000 2.357 432 V HA 0.416 4.536 4.120 0.000 0.000 0.284 432 V C -2.069 174.035 176.094 0.016 0.000 1.018 432 V CA -1.803 60.505 62.300 0.013 0.000 0.841 432 V CB 1.216 33.038 31.823 -0.001 0.000 0.991 432 V HN 0.670 nan 8.190 nan 0.000 0.437 433 P HA 0.036 nan 4.420 nan 0.000 0.267 433 P C 0.794 178.109 177.300 0.024 0.000 1.200 433 P CA -0.214 62.899 63.100 0.023 0.000 0.772 433 P CB 0.712 32.428 31.700 0.026 0.000 0.855 434 L N 4.078 125.310 121.223 0.015 0.000 2.042 434 L HA -0.206 4.134 4.340 0.000 0.000 0.210 434 L C 2.145 179.012 176.870 -0.005 0.000 1.076 434 L CA 1.980 56.818 54.840 -0.004 0.000 0.749 434 L CB -0.879 41.181 42.059 0.001 0.000 0.893 434 L HN 0.319 nan 8.230 nan 0.000 0.432 435 K N -0.443 119.966 120.400 0.016 0.000 2.063 435 K HA -0.236 4.084 4.320 0.000 0.000 0.208 435 K C 1.945 178.574 176.600 0.048 0.000 1.048 435 K CA 2.137 58.440 56.287 0.027 0.000 0.928 435 K CB -0.135 32.385 32.500 0.033 0.000 0.713 435 K HN 0.559 nan 8.250 nan 0.000 0.442 436 E N -0.667 119.569 120.200 0.060 0.000 2.152 436 E HA -0.098 4.252 4.350 0.000 0.000 0.192 436 E C 1.924 178.610 176.600 0.144 0.000 0.983 436 E CA 1.271 57.725 56.400 0.091 0.000 0.818 436 E CB 0.068 29.816 29.700 0.080 0.000 0.758 436 E HN 0.316 nan 8.360 nan 0.000 0.467 437 T N 1.492 116.125 114.554 0.131 0.000 2.708 437 T HA -0.131 4.219 4.350 0.000 0.000 0.266 437 T C 1.980 176.863 174.700 0.305 0.000 1.037 437 T CA 0.942 63.175 62.100 0.222 0.000 1.146 437 T CB -0.169 68.772 68.868 0.123 0.000 0.865 437 T HN 0.095 nan 8.240 nan 0.000 0.435 438 I N 0.716 121.360 120.570 0.123 0.000 2.142 438 I HA -0.181 3.989 4.170 0.000 0.000 0.240 438 I C 2.672 178.885 176.117 0.160 0.000 1.078 438 I CA 1.347 62.702 61.300 0.092 0.000 1.343 438 I CB -0.334 37.648 38.000 -0.029 0.000 1.046 438 I HN 0.170 nan 8.210 nan 0.000 0.405 439 K N 1.076 121.552 120.400 0.128 0.000 2.032 439 K HA -0.192 4.128 4.320 0.000 0.000 0.209 439 K C 2.141 178.821 176.600 0.132 0.000 1.048 439 K CA 1.832 58.187 56.287 0.114 0.000 0.927 439 K CB -0.501 32.054 32.500 0.092 0.000 0.712 439 K HN 0.410 nan 8.250 nan 0.000 0.441 440 G N 0.443 109.336 108.800 0.155 0.000 2.459 440 G HA2 -0.252 3.708 3.960 0.000 0.000 0.217 440 G HA3 -0.252 3.708 3.960 0.000 0.000 0.217 440 G C 1.320 176.172 174.900 -0.080 0.000 1.183 440 G CA 0.949 46.068 45.100 0.031 0.000 0.776 440 G HN 0.291 nan 8.290 nan 0.000 0.552 441 F N 0.619 120.682 119.950 0.188 0.000 2.206 441 F HA 0.025 4.552 4.527 0.000 0.000 0.298 441 F C 3.053 178.887 175.800 0.057 0.000 1.090 441 F CA 1.294 59.368 58.000 0.124 0.000 1.323 441 F CB -0.258 38.824 39.000 0.137 0.000 1.028 441 F HN 0.124 nan 8.300 nan 0.000 0.492 442 Q N 0.130 120.060 119.800 0.216 0.000 2.077 442 Q HA -0.296 4.044 4.340 0.000 0.000 0.206 442 Q C 2.188 178.231 176.000 0.073 0.000 0.989 442 Q CA 2.066 57.942 55.803 0.121 0.000 0.853 442 Q CB -0.301 28.495 28.738 0.097 0.000 0.907 442 Q HN 0.553 nan 8.270 nan 0.000 0.418 443 Q N -0.118 119.724 119.800 0.070 0.000 2.119 443 Q HA -0.112 4.228 4.340 0.000 0.000 0.201 443 Q C 2.088 178.100 176.000 0.021 0.000 0.972 443 Q CA 0.996 56.814 55.803 0.026 0.000 0.847 443 Q CB -0.032 28.761 28.738 0.091 0.000 0.903 443 Q HN 0.422 nan 8.270 nan 0.000 0.433 444 I N 0.588 121.194 120.570 0.061 0.000 2.179 444 I HA -0.294 3.876 4.170 0.000 0.000 0.242 444 I C 2.178 178.281 176.117 -0.024 0.000 1.088 444 I CA 1.108 62.402 61.300 -0.009 0.000 1.357 444 I CB -0.321 37.562 38.000 -0.194 0.000 1.051 444 I HN 0.187 nan 8.210 nan 0.000 0.409 445 L N 0.720 121.953 121.223 0.018 0.000 2.081 445 L HA -0.228 4.112 4.340 0.000 0.000 0.212 445 L C 2.589 179.459 176.870 -0.001 0.000 1.080 445 L CA 1.418 56.269 54.840 0.019 0.000 0.754 445 L CB -0.591 41.498 42.059 0.050 0.000 0.893 445 L HN 0.283 nan 8.230 nan 0.000 0.433 446 A N -0.724 122.091 122.820 -0.007 0.000 2.235 446 A HA 0.223 4.543 4.320 0.000 0.000 0.208 446 A C 1.693 179.252 177.584 -0.041 0.000 1.172 446 A CA 0.781 52.804 52.037 -0.022 0.000 0.786 446 A CB -0.494 18.490 19.000 -0.027 0.000 0.804 446 A HN 0.562 nan 8.150 nan 0.000 0.479 447 G N -0.567 108.206 108.800 -0.045 0.000 2.136 447 G HA2 -0.266 3.695 3.960 0.000 0.000 0.242 447 G HA3 -0.266 3.695 3.960 0.000 0.000 0.242 447 G C 0.427 175.286 174.900 -0.069 0.000 0.989 447 G CA 0.535 45.610 45.100 -0.042 0.000 0.682 447 G HN 0.615 nan 8.290 nan 0.000 0.522 448 E N -1.175 118.923 120.200 -0.169 0.000 2.347 448 E HA 0.033 4.383 4.350 0.000 0.000 0.196 448 E C 0.785 177.098 176.600 -0.479 0.000 1.008 448 E CA 0.773 56.957 56.400 -0.360 0.000 0.852 448 E CB 0.016 29.382 29.700 -0.555 0.000 0.783 448 E HN 0.797 nan 8.360 nan 0.000 0.505 449 Y N -0.369 119.960 120.300 0.048 0.000 2.715 449 Y HA 0.132 4.682 4.550 0.000 0.000 0.255 449 Y C 0.823 176.704 175.900 -0.032 0.000 1.139 449 Y CA -0.635 57.469 58.100 0.005 0.000 1.151 449 Y CB 0.668 39.213 38.460 0.143 0.000 1.201 449 Y HN -0.108 nan 8.280 nan 0.000 0.556 450 D N 0.170 120.644 120.400 0.124 0.000 2.221 450 D HA -0.187 4.453 4.640 0.000 0.000 0.204 450 D C 1.999 178.365 176.300 0.110 0.000 0.982 450 D CA 1.527 55.579 54.000 0.086 0.000 0.857 450 D CB -0.100 40.741 40.800 0.069 0.000 0.934 450 D HN 0.627 nan 8.370 nan 0.000 0.475 451 H N -0.580 118.540 119.070 0.083 0.000 2.548 451 H HA 0.115 4.671 4.556 0.000 0.000 0.268 451 H C 0.784 176.168 175.328 0.094 0.000 0.975 451 H CA -0.012 56.078 56.048 0.070 0.000 1.195 451 H CB -0.169 29.621 29.762 0.047 0.000 1.397 451 H HN 0.101 nan 8.280 nan 0.000 0.572 452 L N 3.269 124.338 121.223 -0.256 0.000 2.375 452 L HA 0.300 4.640 4.340 0.000 0.000 0.271 452 L C -1.921 174.974 176.870 0.041 0.000 1.107 452 L CA -2.042 52.711 54.840 -0.145 0.000 0.806 452 L CB 1.150 43.100 42.059 -0.181 0.000 1.146 452 L HN 0.055 nan 8.230 nan 0.000 0.447 453 P HA 0.027 nan 4.420 nan 0.000 0.272 453 P C 0.242 177.625 177.300 0.139 0.000 1.223 453 P CA -0.219 62.911 63.100 0.050 0.000 0.784 453 P CB 1.023 32.728 31.700 0.008 0.000 0.923 454 E N 0.743 121.022 120.200 0.131 0.000 2.070 454 E HA -0.257 4.093 4.350 0.000 0.000 0.197 454 E C 1.742 178.475 176.600 0.223 0.000 1.004 454 E CA 1.392 57.895 56.400 0.172 0.000 0.805 454 E CB -0.022 29.713 29.700 0.059 0.000 0.744 454 E HN 0.364 nan 8.360 nan 0.000 0.451 455 Q N -0.616 119.250 119.800 0.111 0.000 2.364 455 Q HA -0.053 4.287 4.340 0.000 0.000 0.207 455 Q C 1.931 177.981 176.000 0.083 0.000 0.970 455 Q CA 0.957 56.823 55.803 0.105 0.000 0.888 455 Q CB -0.067 28.703 28.738 0.054 0.000 0.951 455 Q HN 0.335 nan 8.270 nan 0.000 0.469 456 A N -0.287 122.504 122.820 -0.047 0.000 2.024 456 A HA -0.147 4.173 4.320 0.000 0.000 0.220 456 A C 1.541 178.907 177.584 -0.363 0.000 1.164 456 A CA 1.064 52.935 52.037 -0.276 0.000 0.643 456 A CB -0.636 18.056 19.000 -0.513 0.000 0.806 456 A HN 0.310 nan 8.150 nan 0.000 0.451 457 F N -2.739 117.205 119.950 -0.010 0.000 2.743 457 F HA 0.171 4.698 4.527 0.000 0.000 0.297 457 F C 0.801 176.685 175.800 0.139 0.000 1.131 457 F CA -0.176 57.844 58.000 0.034 0.000 1.426 457 F CB -0.151 38.840 39.000 -0.015 0.000 1.116 457 F HN 0.283 nan 8.300 nan 0.000 0.583 458 Y N 1.364 121.737 120.300 0.121 0.000 2.402 458 Y HA 0.322 4.872 4.550 0.000 0.000 0.333 458 Y C 0.742 176.623 175.900 -0.032 0.000 1.076 458 Y CA -1.658 56.475 58.100 0.054 0.000 1.299 458 Y CB 0.435 38.915 38.460 0.033 0.000 1.197 458 Y HN 0.151 nan 8.280 nan 0.000 0.517 459 M N 4.994 124.182 119.600 -0.686 0.000 2.298 459 M HA -0.156 4.324 4.480 0.000 0.000 0.196 459 M C -1.708 174.324 176.300 -0.448 0.000 0.531 459 M CA 1.183 56.024 55.300 -0.765 0.000 0.459 459 M CB -1.616 30.241 32.600 -1.237 0.000 1.279 459 M HN 0.499 nan 8.290 nan 0.000 0.915 460 V N -2.586 117.184 119.914 -0.240 0.000 3.155 460 V HA 1.102 5.222 4.120 0.000 0.000 0.313 460 V C 0.832 176.859 176.094 -0.112 0.000 1.162 460 V CA -0.206 62.014 62.300 -0.133 0.000 1.048 460 V CB 1.450 33.249 31.823 -0.040 0.000 1.092 460 V HN 0.453 nan 8.190 nan 0.000 0.447 461 G N 0.253 109.020 108.800 -0.055 0.000 2.908 461 G HA2 0.429 4.390 3.960 0.000 0.000 0.188 461 G HA3 0.429 4.390 3.960 0.000 0.000 0.188 461 G C -2.125 172.770 174.900 -0.009 0.000 1.903 461 G CA -0.106 44.965 45.100 -0.049 0.000 0.883 461 G HN 0.788 nan 8.290 nan 0.000 0.515 462 P HA 0.164 nan 4.420 nan 0.000 0.274 462 P C 0.596 178.036 177.300 0.233 0.000 1.246 462 P CA -0.531 62.660 63.100 0.153 0.000 0.795 462 P CB 1.590 33.339 31.700 0.081 0.000 1.006 463 I N 0.761 121.466 120.570 0.224 0.000 2.567 463 I HA -0.225 3.945 4.170 0.000 0.000 0.257 463 I C 1.825 177.830 176.117 -0.187 0.000 1.184 463 I CA 1.649 62.874 61.300 -0.124 0.000 1.451 463 I CB -0.688 37.127 38.000 -0.308 0.000 1.089 463 I HN 0.256 nan 8.210 nan 0.000 0.441 464 E N 0.455 120.617 120.200 -0.064 0.000 2.153 464 E HA -0.216 4.135 4.350 0.000 0.000 0.194 464 E C 2.048 178.593 176.600 -0.091 0.000 0.988 464 E CA 1.215 57.576 56.400 -0.065 0.000 0.811 464 E CB -0.195 29.497 29.700 -0.013 0.000 0.746 464 E HN 0.569 nan 8.360 nan 0.000 0.466 465 E N -0.085 120.072 120.200 -0.070 0.000 2.152 465 E HA -0.094 4.256 4.350 0.000 0.000 0.192 465 E C 1.963 178.469 176.600 -0.157 0.000 0.983 465 E CA 0.743 57.096 56.400 -0.078 0.000 0.818 465 E CB -0.059 29.621 29.700 -0.034 0.000 0.758 465 E HN 0.278 nan 8.360 nan 0.000 0.467 466 A N 0.874 123.540 122.820 -0.255 0.000 1.898 466 A HA -0.117 4.203 4.320 0.000 0.000 0.216 466 A C 2.462 179.728 177.584 -0.531 0.000 1.181 466 A CA 0.934 52.669 52.037 -0.502 0.000 0.620 466 A CB -0.513 17.979 19.000 -0.847 0.000 0.819 466 A HN 0.095 nan 8.150 nan 0.000 0.442 467 V N -0.009 119.648 119.914 -0.428 0.000 2.261 467 V HA -0.253 3.867 4.120 0.000 0.000 0.246 467 V C 3.071 179.063 176.094 -0.171 0.000 1.047 467 V CA 1.982 64.116 62.300 -0.277 0.000 1.015 467 V CB -1.332 30.404 31.823 -0.146 0.000 0.642 467 V HN 0.598 nan 8.190 nan 0.000 0.446 468 A N -0.481 122.259 122.820 -0.133 0.000 1.940 468 A HA -0.283 4.037 4.320 0.000 0.000 0.219 468 A C 2.357 179.887 177.584 -0.090 0.000 1.176 468 A CA 2.268 54.254 52.037 -0.085 0.000 0.631 468 A CB -0.500 18.464 19.000 -0.060 0.000 0.814 468 A HN 0.525 nan 8.150 nan 0.000 0.446 469 K N -0.520 119.803 120.400 -0.128 0.000 2.097 469 K HA -0.022 4.298 4.320 0.000 0.000 0.205 469 K C 2.174 178.704 176.600 -0.117 0.000 1.050 469 K CA 0.991 57.211 56.287 -0.111 0.000 0.938 469 K CB -0.280 32.142 32.500 -0.131 0.000 0.718 469 K HN 0.388 nan 8.250 nan 0.000 0.442 470 A N 1.583 124.298 122.820 -0.175 0.000 1.902 470 A HA -0.189 4.131 4.320 0.000 0.000 0.217 470 A C 1.539 179.078 177.584 -0.075 0.000 1.181 470 A CA 2.010 53.959 52.037 -0.147 0.000 0.623 470 A CB -0.481 18.394 19.000 -0.208 0.000 0.818 470 A HN 0.340 nan 8.150 nan 0.000 0.443 471 D N -0.485 119.878 120.400 -0.063 0.000 2.117 471 D HA -0.130 4.510 4.640 0.000 0.000 0.198 471 D C 1.872 178.158 176.300 -0.023 0.000 0.982 471 D CA 1.476 55.458 54.000 -0.029 0.000 0.828 471 D CB -0.265 40.522 40.800 -0.023 0.000 0.967 471 D HN 0.569 nan 8.370 nan 0.000 0.464 472 K N 0.453 120.836 120.400 -0.029 0.000 2.148 472 K HA -0.043 4.277 4.320 0.000 0.000 0.204 472 K C 2.042 178.635 176.600 -0.012 0.000 1.050 472 K CA 0.532 56.808 56.287 -0.018 0.000 0.942 472 K CB -0.069 32.421 32.500 -0.017 0.000 0.724 472 K HN 0.122 nan 8.250 nan 0.000 0.446 473 L N 0.323 121.534 121.223 -0.020 0.000 2.291 473 L HA -0.079 4.261 4.340 0.000 0.000 0.214 473 L C 2.438 179.305 176.870 -0.005 0.000 1.120 473 L CA 0.670 55.503 54.840 -0.011 0.000 0.799 473 L CB -0.341 41.707 42.059 -0.019 0.000 0.925 473 L HN 0.241 nan 8.230 nan 0.000 0.446 474 A N -0.334 122.482 122.820 -0.006 0.000 1.841 474 A HA -0.097 4.223 4.320 0.000 0.000 0.214 474 A C 1.025 178.611 177.584 0.003 0.000 1.195 474 A CA 1.571 53.608 52.037 0.001 0.000 0.611 474 A CB -0.022 18.980 19.000 0.004 0.000 0.835 474 A HN 0.406 nan 8.150 nan 0.000 0.443 475 E N 0.000 120.201 120.200 0.001 0.000 2.725 475 E HA 0.000 4.350 4.350 0.000 0.000 0.291 475 E CA 0.000 56.401 56.400 0.002 0.000 0.976 475 E CB 0.000 29.702 29.700 0.003 0.000 0.812 475 E HN 0.000 nan 8.360 nan 0.000 0.440