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 1bmf_1_B DATA FIRST_RESID 24 DATA SEQUENCE DLEETGRVLS IGDGIARVHG LRNVQAEEMV EFSSGLKGMS LNLEPDNVGV DATA SEQUENCE VVFGNDKLIK EGDIVKRTGA IVDVPVGEEL LGRVVDALGN AIDGKGPIGS DATA SEQUENCE KARRRVGLKA PGIIPRISVR EPMQTGIKAV DSLVPIGRGQ RELIIGDRQT DATA SEQUENCE GKTSIAIDTI INQKRFNDGT DEKKKLYCIY VAIGQKRSTV AQLVKRLTDA DATA SEQUENCE DAMKYTIVVS ATASDAAPLQ YLAPYSGCSM GEYFRDNGKH ALIIYDDLSK DATA SEQUENCE QAVAYRQMSL LLRRPPGREA YPGDVFYLHS RLLERAAKMN DAFGGGSLTA DATA SEQUENCE LPVIETQAGD VSAYIPTNVI SITDGQIFLE TELFYKGIRP AINVGLSVSR DATA SEQUENCE VGSAAQTRAM KQVAGTMKLE LAQYREVAAF AQFGSDLDAA TQQLLSRGVR DATA SEQUENCE LTELLKQGQY SPMAIEEQVA VIYAGVRGYL DKLEPSKITK FENAFLSHVI DATA SEQUENCE SQHQALLGKI RTDGKISEES DAKLKEIVTN FLAGFEA 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 24 D HA 0.000 nan 4.640 nan 0.000 0.175 24 D C 0.000 176.284 176.300 -0.027 0.000 2.045 24 D CA 0.000 53.992 54.000 -0.013 0.000 0.868 24 D CB 0.000 40.791 40.800 -0.014 0.000 0.688 25 L N 2.661 123.861 121.223 -0.038 0.000 2.653 25 L HA 0.216 4.556 4.340 -0.000 0.000 0.231 25 L C 1.580 178.403 176.870 -0.078 0.000 1.153 25 L CA 0.048 54.843 54.840 -0.076 0.000 0.933 25 L CB 0.312 42.309 42.059 -0.104 0.000 1.175 25 L HN 0.329 nan 8.230 nan 0.000 0.473 26 E N 0.210 120.379 120.200 -0.052 0.000 2.166 26 E HA -0.006 4.344 4.350 -0.000 0.000 0.192 26 E C 1.035 177.608 176.600 -0.045 0.000 0.967 26 E CA 0.721 57.094 56.400 -0.046 0.000 0.840 26 E CB 0.543 30.224 29.700 -0.032 0.000 0.795 26 E HN 0.401 nan 8.360 nan 0.000 0.470 27 E N 0.419 120.593 120.200 -0.042 0.000 2.562 27 E HA 0.169 4.519 4.350 -0.000 0.000 0.214 27 E C 0.075 176.644 176.600 -0.051 0.000 0.979 27 E CA 0.185 56.559 56.400 -0.042 0.000 1.002 27 E CB 1.453 31.133 29.700 -0.033 0.000 1.048 27 E HN -0.010 nan 8.360 nan 0.000 0.488 28 T N -0.259 114.263 114.554 -0.053 0.000 2.887 28 T HA 0.725 5.075 4.350 -0.000 0.000 0.292 28 T C -0.159 174.503 174.700 -0.063 0.000 1.087 28 T CA -0.679 61.388 62.100 -0.054 0.000 1.009 28 T CB 2.281 71.128 68.868 -0.035 0.000 1.203 28 T HN 0.109 nan 8.240 nan 0.000 0.518 29 G N 0.413 109.182 108.800 -0.051 0.000 2.718 29 G HA2 0.637 4.597 3.960 -0.000 0.000 0.295 29 G HA3 0.637 4.597 3.960 -0.000 0.000 0.295 29 G C -1.733 173.179 174.900 0.020 0.000 1.421 29 G CA -0.828 44.251 45.100 -0.035 0.000 0.902 29 G HN 0.542 nan 8.290 nan 0.000 0.501 30 R N 0.526 121.070 120.500 0.074 0.000 2.445 30 R HA 0.489 4.829 4.340 -0.000 0.000 0.308 30 R C -0.318 176.054 176.300 0.119 0.000 0.961 30 R CA -0.729 55.428 56.100 0.095 0.000 0.862 30 R CB 2.427 32.785 30.300 0.097 0.000 1.144 30 R HN 0.341 nan 8.270 nan 0.000 0.447 31 V N 5.116 125.104 119.914 0.122 0.000 2.599 31 V HA -0.066 4.054 4.120 -0.000 0.000 0.300 31 V C 1.623 177.771 176.094 0.089 0.000 1.034 31 V CA 0.571 62.947 62.300 0.127 0.000 1.115 31 V CB 0.502 32.406 31.823 0.135 0.000 0.934 31 V HN 0.742 nan 8.190 nan 0.000 0.485 32 L N 3.632 124.904 121.223 0.082 0.000 2.298 32 L HA 0.179 4.519 4.340 -0.000 0.000 0.209 32 L C 0.749 177.635 176.870 0.028 0.000 1.084 32 L CA 0.862 55.730 54.840 0.047 0.000 0.816 32 L CB 0.252 42.337 42.059 0.043 0.000 0.967 32 L HN 0.878 nan 8.230 nan 0.000 0.460 33 S N -0.848 114.871 115.700 0.032 0.000 2.579 33 S HA 0.472 4.942 4.470 -0.000 0.000 0.290 33 S C -1.225 173.377 174.600 0.005 0.000 1.123 33 S CA -0.872 57.336 58.200 0.013 0.000 0.894 33 S CB 1.764 64.968 63.200 0.005 0.000 1.095 33 S HN -0.016 nan 8.310 nan 0.000 0.450 34 I N 1.619 122.181 120.570 -0.014 0.000 2.530 34 I HA 0.974 5.144 4.170 -0.000 0.000 0.297 34 I C -0.023 176.070 176.117 -0.039 0.000 1.011 34 I CA 0.136 61.412 61.300 -0.040 0.000 1.107 34 I CB 1.574 39.529 38.000 -0.074 0.000 1.285 34 I HN 1.432 nan 8.210 nan 0.000 0.436 35 G N 4.861 113.634 108.800 -0.045 0.000 2.380 35 G HA2 0.314 4.274 3.960 -0.000 0.000 0.305 35 G HA3 0.314 4.274 3.960 -0.000 0.000 0.305 35 G C -1.130 173.745 174.900 -0.041 0.000 1.672 35 G CA -0.550 44.527 45.100 -0.038 0.000 0.904 35 G HN 0.718 nan 8.290 nan 0.000 0.686 36 D N 0.128 120.504 120.400 -0.040 0.000 2.772 36 D HA -0.179 4.461 4.640 -0.000 0.000 0.233 36 D C 1.629 177.901 176.300 -0.048 0.000 1.143 36 D CA 2.636 56.612 54.000 -0.040 0.000 0.700 36 D CB -1.080 39.698 40.800 -0.037 0.000 1.076 36 D HN 2.292 nan 8.370 nan 0.000 0.430 37 G N -0.280 108.486 108.800 -0.057 0.000 2.296 37 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.282 37 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.282 37 G C 0.287 175.139 174.900 -0.079 0.000 1.014 37 G CA 0.481 45.537 45.100 -0.073 0.000 0.812 37 G HN 0.535 nan 8.290 nan 0.000 0.508 38 I N 0.654 121.186 120.570 -0.063 0.000 2.439 38 I HA 0.579 4.749 4.170 -0.000 0.000 0.283 38 I C 0.444 176.542 176.117 -0.031 0.000 1.023 38 I CA -0.740 60.532 61.300 -0.046 0.000 1.100 38 I CB 1.450 39.429 38.000 -0.034 0.000 1.238 38 I HN 0.260 nan 8.210 nan 0.000 0.445 39 A N 8.037 130.851 122.820 -0.010 0.000 2.290 39 A HA 0.665 4.985 4.320 -0.000 0.000 0.310 39 A C -0.051 177.574 177.584 0.069 0.000 1.202 39 A CA -0.659 51.394 52.037 0.026 0.000 0.837 39 A CB 0.619 19.647 19.000 0.047 0.000 1.139 39 A HN 0.567 nan 8.150 nan 0.000 0.509 40 R N 2.577 123.112 120.500 0.059 0.000 2.233 40 R HA 0.359 4.699 4.340 -0.000 0.000 0.334 40 R C -0.813 175.542 176.300 0.091 0.000 1.037 40 R CA -0.290 55.848 56.100 0.063 0.000 0.920 40 R CB 0.662 30.987 30.300 0.041 0.000 1.137 40 R HN 0.480 nan 8.270 nan 0.000 0.492 41 V N 2.761 122.736 119.914 0.102 0.000 2.686 41 V HA 0.126 4.246 4.120 -0.000 0.000 0.295 41 V C 0.174 176.338 176.094 0.118 0.000 1.057 41 V CA -0.687 61.679 62.300 0.110 0.000 1.012 41 V CB 1.265 33.135 31.823 0.079 0.000 1.006 41 V HN 0.616 nan 8.190 nan 0.000 0.477 42 H N 1.871 120.956 119.070 0.025 0.000 2.476 42 H HA 0.682 5.238 4.556 -0.000 0.000 0.328 42 H C 0.257 175.590 175.328 0.008 0.000 1.073 42 H CA 0.749 56.806 56.048 0.015 0.000 1.229 42 H CB 0.952 30.724 29.762 0.015 0.000 1.432 42 H HN 1.033 nan 8.280 nan 0.000 0.477 43 G N 3.096 111.559 108.800 -0.561 0.000 2.443 43 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.209 43 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.209 43 G C -0.235 174.556 174.900 -0.182 0.000 1.176 43 G CA -0.465 44.396 45.100 -0.399 0.000 1.074 43 G HN 1.206 nan 8.290 nan 0.000 0.577 44 L N -0.526 120.622 121.223 -0.125 0.000 3.678 44 L HA -0.225 4.115 4.340 -0.000 0.000 0.425 44 L C 2.018 178.844 176.870 -0.072 0.000 1.240 44 L CA 1.070 55.860 54.840 -0.084 0.000 0.876 44 L CB -0.785 41.231 42.059 -0.072 0.000 1.766 44 L HN 0.680 nan 8.230 nan 0.000 0.917 45 R N -0.506 119.946 120.500 -0.079 0.000 2.293 45 R HA -0.096 4.244 4.340 -0.000 0.000 0.219 45 R C 1.428 177.705 176.300 -0.039 0.000 1.091 45 R CA 1.294 57.358 56.100 -0.059 0.000 1.004 45 R CB -0.160 30.107 30.300 -0.056 0.000 0.865 45 R HN 0.464 nan 8.270 nan 0.000 0.469 46 N N -0.320 118.357 118.700 -0.038 0.000 2.205 46 N HA 0.029 4.769 4.740 -0.000 0.000 0.201 46 N C -0.284 175.212 175.510 -0.024 0.000 1.128 46 N CA 0.057 53.091 53.050 -0.027 0.000 0.867 46 N CB 0.640 39.111 38.487 -0.026 0.000 0.996 46 N HN -0.054 nan 8.380 nan 0.000 0.503 47 V N 0.346 120.243 119.914 -0.028 0.000 2.901 47 V HA 0.033 4.153 4.120 -0.000 0.000 0.307 47 V C 0.597 176.684 176.094 -0.011 0.000 1.084 47 V CA -0.355 61.932 62.300 -0.021 0.000 1.184 47 V CB 0.223 32.033 31.823 -0.023 0.000 0.941 47 V HN 0.095 nan 8.190 nan 0.000 0.493 48 Q N 1.707 121.504 119.800 -0.004 0.000 2.193 48 Q HA 0.704 5.044 4.340 -0.000 0.000 0.246 48 Q C 0.096 176.102 176.000 0.009 0.000 0.959 48 Q CA -0.516 55.288 55.803 0.002 0.000 0.904 48 Q CB 1.414 30.154 28.738 0.003 0.000 1.238 48 Q HN 1.070 nan 8.270 nan 0.000 0.469 49 A N 1.264 124.092 122.820 0.013 0.000 2.450 49 A HA 0.159 4.479 4.320 -0.000 0.000 0.255 49 A C -0.124 177.477 177.584 0.028 0.000 1.096 49 A CA 0.112 52.162 52.037 0.021 0.000 0.778 49 A CB -0.223 18.790 19.000 0.022 0.000 1.031 49 A HN 0.917 nan 8.150 nan 0.000 0.494 50 E N -0.559 119.666 120.200 0.040 0.000 3.303 50 E HA -0.176 4.174 4.350 -0.000 0.000 0.302 50 E C 0.085 176.719 176.600 0.057 0.000 0.902 50 E CA 1.137 57.570 56.400 0.056 0.000 1.042 50 E CB -1.344 28.383 29.700 0.046 0.000 1.528 50 E HN 0.913 nan 8.360 nan 0.000 0.424 51 E N 0.492 120.719 120.200 0.045 0.000 2.313 51 E HA 0.270 4.620 4.350 -0.000 0.000 0.272 51 E C 0.101 176.736 176.600 0.059 0.000 1.038 51 E CA -0.619 55.803 56.400 0.037 0.000 0.863 51 E CB 0.737 30.446 29.700 0.014 0.000 1.060 51 E HN -0.038 nan 8.360 nan 0.000 0.402 52 M N 3.624 123.261 119.600 0.061 0.000 2.228 52 M HA 0.131 4.611 4.480 -0.000 0.000 0.351 52 M C -0.201 176.117 176.300 0.030 0.000 1.233 52 M CA -0.078 55.275 55.300 0.088 0.000 1.129 52 M CB 0.760 33.396 32.600 0.061 0.000 1.604 52 M HN 0.500 nan 8.290 nan 0.000 0.457 53 V N 1.486 121.404 119.914 0.006 0.000 3.155 53 V HA 0.707 4.827 4.120 -0.000 0.000 0.313 53 V C -0.724 175.266 176.094 -0.172 0.000 1.162 53 V CA -0.860 61.371 62.300 -0.115 0.000 1.048 53 V CB 2.519 34.227 31.823 -0.191 0.000 1.092 53 V HN 0.816 nan 8.190 nan 0.000 0.447 54 E N 0.621 120.664 120.200 -0.261 0.000 2.248 54 E HA 0.542 4.892 4.350 -0.000 0.000 0.267 54 E C -1.866 174.524 176.600 -0.349 0.000 0.877 54 E CA -0.412 55.869 56.400 -0.199 0.000 0.759 54 E CB 2.531 32.193 29.700 -0.063 0.000 1.182 54 E HN 0.629 nan 8.360 nan 0.000 0.418 55 F N 0.601 120.574 119.950 0.039 0.000 2.377 55 F HA 0.114 4.641 4.527 -0.000 0.000 0.328 55 F C 1.867 177.683 175.800 0.026 0.000 1.094 55 F CA -0.190 57.828 58.000 0.030 0.000 1.093 55 F CB 1.368 40.387 39.000 0.032 0.000 1.214 55 F HN 0.433 nan 8.300 nan 0.000 0.518 56 S N 0.435 116.252 115.700 0.196 0.000 2.409 56 S HA -0.239 4.231 4.470 -0.000 0.000 0.237 56 S C 1.670 176.335 174.600 0.109 0.000 1.060 56 S CA 1.955 60.224 58.200 0.116 0.000 1.052 56 S CB -0.543 62.717 63.200 0.100 0.000 0.871 56 S HN 0.691 nan 8.310 nan 0.000 0.465 57 S N 0.375 116.159 115.700 0.139 0.000 2.743 57 S HA 0.428 4.898 4.470 -0.000 0.000 0.230 57 S C 1.257 175.923 174.600 0.109 0.000 0.950 57 S CA 0.322 58.583 58.200 0.102 0.000 0.976 57 S CB -0.257 62.992 63.200 0.081 0.000 0.779 57 S HN 0.760 nan 8.310 nan 0.000 0.487 58 G N 0.546 109.419 108.800 0.121 0.000 2.233 58 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.270 58 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.270 58 G C -0.095 174.893 174.900 0.146 0.000 1.011 58 G CA 0.417 45.582 45.100 0.108 0.000 0.762 58 G HN 0.539 nan 8.290 nan 0.000 0.511 59 L N -0.331 121.025 121.223 0.222 0.000 2.421 59 L HA 0.744 5.084 4.340 -0.000 0.000 0.263 59 L C 0.597 177.711 176.870 0.406 0.000 1.122 59 L CA -0.350 54.644 54.840 0.257 0.000 0.804 59 L CB 1.071 43.233 42.059 0.172 0.000 1.150 59 L HN 0.199 nan 8.230 nan 0.000 0.457 60 K N 0.303 120.935 120.400 0.387 0.000 2.221 60 K HA 0.826 5.146 4.320 -0.000 0.000 0.243 60 K C -0.681 176.267 176.600 0.580 0.000 0.968 60 K CA -0.693 55.851 56.287 0.429 0.000 0.846 60 K CB 1.874 34.563 32.500 0.316 0.000 1.141 60 K HN 0.800 nan 8.250 nan 0.000 0.434 61 G N 0.657 109.751 108.800 0.490 0.000 2.684 61 G HA2 0.517 4.477 3.960 -0.000 0.000 0.290 61 G HA3 0.517 4.477 3.960 -0.000 0.000 0.290 61 G C -1.821 173.228 174.900 0.248 0.000 1.425 61 G CA -0.779 44.500 45.100 0.298 0.000 0.822 61 G HN 0.526 nan 8.290 nan 0.000 0.482 62 M N 1.107 120.732 119.600 0.042 0.000 2.243 62 M HA 0.573 5.053 4.480 -0.000 0.000 0.324 62 M C -0.503 175.834 176.300 0.061 0.000 1.031 62 M CA -0.495 54.892 55.300 0.144 0.000 0.949 62 M CB 1.685 34.421 32.600 0.227 0.000 1.615 62 M HN 0.338 nan 8.290 nan 0.000 0.430 63 S N 4.688 120.425 115.700 0.061 0.000 2.429 63 S HA 0.118 4.588 4.470 -0.000 0.000 0.292 63 S C 0.550 175.175 174.600 0.042 0.000 1.183 63 S CA -0.498 57.724 58.200 0.038 0.000 1.088 63 S CB 0.501 63.715 63.200 0.023 0.000 1.018 63 S HN 0.722 nan 8.310 nan 0.000 0.511 64 L N 5.173 126.417 121.223 0.035 0.000 2.187 64 L HA 0.329 4.669 4.340 -0.000 0.000 0.197 64 L C 0.102 176.991 176.870 0.031 0.000 1.090 64 L CA 1.431 56.293 54.840 0.037 0.000 0.781 64 L CB -0.174 41.900 42.059 0.025 0.000 0.956 64 L HN 0.472 nan 8.230 nan 0.000 0.463 65 N N -0.115 118.600 118.700 0.024 0.000 2.408 65 N HA 0.473 5.213 4.740 -0.000 0.000 0.280 65 N C -1.356 174.166 175.510 0.019 0.000 1.002 65 N CA -0.156 52.907 53.050 0.021 0.000 0.907 65 N CB 1.191 39.689 38.487 0.018 0.000 1.161 65 N HN 0.044 nan 8.380 nan 0.000 0.488 66 L N 2.148 123.381 121.223 0.017 0.000 2.297 66 L HA 0.374 4.714 4.340 -0.000 0.000 0.277 66 L C 0.017 176.895 176.870 0.013 0.000 1.040 66 L CA -0.376 54.471 54.840 0.013 0.000 0.867 66 L CB 0.367 42.432 42.059 0.010 0.000 1.244 66 L HN 0.457 nan 8.230 nan 0.000 0.433 67 E N 3.282 123.491 120.200 0.015 0.000 2.222 67 E HA 0.269 4.619 4.350 -0.000 0.000 0.272 67 E C -1.621 174.990 176.600 0.018 0.000 0.982 67 E CA -1.864 54.546 56.400 0.017 0.000 0.842 67 E CB 1.486 31.198 29.700 0.020 0.000 1.144 67 E HN 0.249 nan 8.360 nan 0.000 0.397 68 P HA -0.180 nan 4.420 nan 0.000 0.223 68 P C -0.536 176.782 177.300 0.029 0.000 1.140 68 P CA 1.432 64.543 63.100 0.019 0.000 0.783 68 P CB 0.059 31.770 31.700 0.018 0.000 0.759 69 D N -3.402 117.022 120.400 0.041 0.000 2.969 69 D HA 0.149 4.789 4.640 -0.000 0.000 0.317 69 D C -0.417 175.947 176.300 0.107 0.000 1.650 69 D CA -0.666 53.379 54.000 0.074 0.000 0.789 69 D CB -1.186 39.659 40.800 0.075 0.000 1.277 69 D HN 0.250 nan 8.370 nan 0.000 0.463 70 N N -1.824 116.917 118.700 0.067 0.000 4.310 70 N HA 0.335 5.075 4.740 -0.000 0.000 0.212 70 N C -2.241 173.291 175.510 0.037 0.000 1.277 70 N CA -0.947 52.146 53.050 0.072 0.000 0.854 70 N CB 0.870 39.409 38.487 0.086 0.000 1.480 70 N HN -0.117 nan 8.380 nan 0.000 0.489 71 V N 0.211 120.146 119.914 0.036 0.000 2.409 71 V HA 0.799 4.919 4.120 -0.000 0.000 0.291 71 V C 0.684 176.800 176.094 0.038 0.000 1.020 71 V CA -0.367 61.949 62.300 0.026 0.000 0.848 71 V CB 1.259 33.089 31.823 0.011 0.000 0.990 71 V HN 0.906 nan 8.190 nan 0.000 0.430 72 G N 3.885 112.703 108.800 0.031 0.000 2.351 72 G HA2 0.498 4.458 3.960 -0.000 0.000 0.287 72 G HA3 0.498 4.458 3.960 -0.000 0.000 0.287 72 G C -0.628 174.293 174.900 0.035 0.000 1.159 72 G CA -0.133 44.985 45.100 0.031 0.000 0.929 72 G HN 0.514 nan 8.290 nan 0.000 0.435 73 V N 3.114 123.063 119.914 0.057 0.000 2.547 73 V HA 0.306 4.426 4.120 -0.000 0.000 0.299 73 V C 0.057 176.163 176.094 0.020 0.000 1.040 73 V CA -0.682 61.661 62.300 0.072 0.000 0.913 73 V CB 2.068 34.000 31.823 0.182 0.000 0.992 73 V HN 0.478 nan 8.190 nan 0.000 0.449 74 V N 5.557 125.433 119.914 -0.063 0.000 2.348 74 V HA 0.245 4.365 4.120 -0.000 0.000 0.270 74 V C 0.099 175.990 176.094 -0.337 0.000 1.037 74 V CA -0.431 61.755 62.300 -0.189 0.000 0.872 74 V CB 1.527 33.214 31.823 -0.227 0.000 1.002 74 V HN 0.617 nan 8.190 nan 0.000 0.464 75 V N 6.443 126.217 119.914 -0.233 0.000 2.470 75 V HA 0.173 4.293 4.120 -0.000 0.000 0.276 75 V C 0.357 176.327 176.094 -0.207 0.000 1.040 75 V CA -0.012 62.167 62.300 -0.203 0.000 1.008 75 V CB 0.483 32.158 31.823 -0.246 0.000 0.990 75 V HN 0.716 nan 8.190 nan 0.000 0.477 76 F N 4.522 124.531 119.950 0.099 0.000 2.833 76 F HA 0.573 5.100 4.527 -0.000 0.000 0.327 76 F C 1.139 176.973 175.800 0.058 0.000 1.184 76 F CA 0.235 58.289 58.000 0.089 0.000 1.328 76 F CB -0.097 38.962 39.000 0.099 0.000 1.440 76 F HN 0.682 nan 8.300 nan 0.000 0.569 77 G N -0.262 108.622 108.800 0.140 0.000 2.315 77 G HA2 0.027 3.987 3.960 -0.000 0.000 0.294 77 G HA3 0.027 3.987 3.960 -0.000 0.000 0.294 77 G C -1.471 173.441 174.900 0.020 0.000 1.300 77 G CA -1.239 43.914 45.100 0.088 0.000 0.843 77 G HN -0.037 nan 8.290 nan 0.000 0.527 78 N N 1.123 119.829 118.700 0.011 0.000 2.411 78 N HA 0.037 4.777 4.740 -0.000 0.000 0.261 78 N C 0.827 176.304 175.510 -0.055 0.000 1.248 78 N CA 0.536 53.577 53.050 -0.014 0.000 0.885 78 N CB 0.750 39.234 38.487 -0.004 0.000 1.062 78 N HN 0.533 nan 8.380 nan 0.000 0.471 79 D N 2.829 123.186 120.400 -0.072 0.000 2.319 79 D HA -0.087 4.553 4.640 -0.000 0.000 0.230 79 D C 1.097 177.344 176.300 -0.089 0.000 1.094 79 D CA 0.118 54.049 54.000 -0.115 0.000 0.856 79 D CB 0.061 40.788 40.800 -0.121 0.000 0.915 79 D HN 0.717 nan 8.370 nan 0.000 0.517 80 K N 1.083 121.449 120.400 -0.057 0.000 2.103 80 K HA -0.066 4.254 4.320 -0.000 0.000 0.204 80 K C 2.098 178.672 176.600 -0.044 0.000 1.052 80 K CA 0.489 56.751 56.287 -0.041 0.000 0.945 80 K CB -0.452 32.034 32.500 -0.023 0.000 0.722 80 K HN 0.106 nan 8.250 nan 0.000 0.443 81 L N 1.212 122.405 121.223 -0.050 0.000 2.353 81 L HA 0.048 4.388 4.340 -0.000 0.000 0.220 81 L C 1.138 177.972 176.870 -0.060 0.000 1.133 81 L CA 0.486 55.301 54.840 -0.041 0.000 0.798 81 L CB -0.632 41.408 42.059 -0.033 0.000 0.922 81 L HN 0.177 nan 8.230 nan 0.000 0.445 82 I N 0.010 120.512 120.570 -0.114 0.000 2.488 82 I HA 0.261 4.431 4.170 -0.000 0.000 0.299 82 I C -0.044 176.036 176.117 -0.062 0.000 0.984 82 I CA -0.311 60.913 61.300 -0.127 0.000 1.250 82 I CB 1.405 39.218 38.000 -0.312 0.000 1.389 82 I HN 0.004 nan 8.210 nan 0.000 0.488 83 K N 3.522 123.911 120.400 -0.017 0.000 2.509 83 K HA 0.338 4.658 4.320 -0.000 0.000 0.266 83 K C -1.029 175.582 176.600 0.020 0.000 0.987 83 K CA -0.992 55.294 56.287 -0.002 0.000 0.868 83 K CB 2.117 34.620 32.500 0.005 0.000 1.421 83 K HN 0.518 nan 8.250 nan 0.000 0.444 84 E N 0.212 120.421 120.200 0.015 0.000 2.465 84 E HA -0.001 4.349 4.350 -0.000 0.000 0.260 84 E C 0.581 177.202 176.600 0.035 0.000 0.980 84 E CA 1.471 57.885 56.400 0.024 0.000 0.927 84 E CB 0.049 29.756 29.700 0.013 0.000 0.934 84 E HN 0.759 nan 8.360 nan 0.000 0.459 85 G N 3.901 112.731 108.800 0.050 0.000 2.217 85 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.246 85 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.246 85 G C -0.065 174.874 174.900 0.066 0.000 0.990 85 G CA 0.147 45.278 45.100 0.053 0.000 0.627 85 G HN 0.664 nan 8.290 nan 0.000 0.522 86 D N 0.213 120.663 120.400 0.083 0.000 2.390 86 D HA 0.408 5.048 4.640 -0.000 0.000 0.236 86 D C 0.721 177.086 176.300 0.108 0.000 1.189 86 D CA 0.092 54.154 54.000 0.104 0.000 0.887 86 D CB 0.570 41.460 40.800 0.149 0.000 1.198 86 D HN 0.174 nan 8.370 nan 0.000 0.444 87 I N 0.879 121.503 120.570 0.089 0.000 2.396 87 I HA 0.137 4.307 4.170 -0.000 0.000 0.292 87 I C -0.290 175.839 176.117 0.020 0.000 0.999 87 I CA -0.336 60.994 61.300 0.050 0.000 1.310 87 I CB 1.479 39.495 38.000 0.027 0.000 1.404 87 I HN -0.014 nan 8.210 nan 0.000 0.496 88 V N 6.893 126.777 119.914 -0.049 0.000 2.448 88 V HA 0.483 4.603 4.120 -0.000 0.000 0.295 88 V C -0.198 175.796 176.094 -0.167 0.000 1.025 88 V CA -0.937 61.235 62.300 -0.214 0.000 0.859 88 V CB 1.530 33.187 31.823 -0.277 0.000 0.988 88 V HN 0.578 nan 8.190 nan 0.000 0.431 89 K N 4.056 124.347 120.400 -0.181 0.000 2.259 89 K HA 0.641 4.961 4.320 -0.000 0.000 0.252 89 K C -0.194 176.336 176.600 -0.116 0.000 0.936 89 K CA -0.892 55.326 56.287 -0.114 0.000 0.810 89 K CB 2.649 35.105 32.500 -0.074 0.000 1.143 89 K HN 0.595 nan 8.250 nan 0.000 0.427 90 R N -0.022 120.429 120.500 -0.083 0.000 2.840 90 R HA 0.072 4.412 4.340 -0.000 0.000 0.282 90 R C 1.047 177.318 176.300 -0.049 0.000 1.133 90 R CA 0.348 56.409 56.100 -0.065 0.000 1.208 90 R CB 0.068 30.340 30.300 -0.047 0.000 1.160 90 R HN 0.823 nan 8.270 nan 0.000 0.576 91 T N -4.437 110.097 114.554 -0.033 0.000 3.252 91 T HA 0.168 4.518 4.350 -0.000 0.000 0.295 91 T C 1.118 175.809 174.700 -0.015 0.000 0.897 91 T CA 0.211 62.298 62.100 -0.022 0.000 0.905 91 T CB 0.487 69.346 68.868 -0.015 0.000 1.202 91 T HN 0.848 nan 8.240 nan 0.000 0.592 92 G N 1.532 110.323 108.800 -0.016 0.000 2.212 92 G HA2 0.033 3.993 3.960 -0.000 0.000 0.267 92 G HA3 0.033 3.993 3.960 -0.000 0.000 0.267 92 G C 0.236 175.132 174.900 -0.007 0.000 1.002 92 G CA 0.147 45.240 45.100 -0.012 0.000 0.729 92 G HN 1.560 nan 8.290 nan 0.000 0.517 93 A N 0.174 122.992 122.820 -0.004 0.000 2.319 93 A HA 0.731 5.051 4.320 -0.000 0.000 0.310 93 A C 0.234 177.823 177.584 0.008 0.000 1.152 93 A CA -0.770 51.267 52.037 -0.000 0.000 0.783 93 A CB 1.015 20.012 19.000 -0.004 0.000 1.184 93 A HN 0.436 nan 8.150 nan 0.000 0.474 94 I N 2.663 123.238 120.570 0.008 0.000 2.683 94 I HA -0.003 4.167 4.170 -0.000 0.000 0.286 94 I C 0.790 176.915 176.117 0.012 0.000 1.175 94 I CA 0.193 61.502 61.300 0.015 0.000 1.429 94 I CB 0.606 38.611 38.000 0.008 0.000 1.371 94 I HN 0.424 nan 8.210 nan 0.000 0.569 95 V N 7.557 127.489 119.914 0.029 0.000 2.814 95 V HA -0.156 3.964 4.120 -0.000 0.000 0.298 95 V C 0.306 176.384 176.094 -0.027 0.000 1.195 95 V CA 0.622 62.926 62.300 0.007 0.000 1.323 95 V CB -0.739 31.101 31.823 0.028 0.000 0.842 95 V HN 0.942 nan 8.190 nan 0.000 0.494 96 D N 3.728 124.102 120.400 -0.044 0.000 2.744 96 D HA 0.791 5.431 4.640 -0.000 0.000 0.304 96 D C -0.639 175.624 176.300 -0.063 0.000 1.179 96 D CA -0.469 53.504 54.000 -0.045 0.000 1.024 96 D CB 2.100 42.881 40.800 -0.031 0.000 1.453 96 D HN 0.614 nan 8.370 nan 0.000 0.529 97 V N -5.822 114.059 119.914 -0.055 0.000 3.120 97 V HA 0.630 4.750 4.120 -0.000 0.000 0.303 97 V C -3.042 173.014 176.094 -0.063 0.000 1.238 97 V CA -2.237 60.025 62.300 -0.063 0.000 1.008 97 V CB 1.566 33.348 31.823 -0.068 0.000 1.064 97 V HN 0.419 nan 8.190 nan 0.000 0.434 98 P HA 0.242 nan 4.420 nan 0.000 0.261 98 P C -0.676 176.558 177.300 -0.111 0.000 1.173 98 P CA 0.535 63.586 63.100 -0.082 0.000 0.760 98 P CB 0.580 32.236 31.700 -0.074 0.000 0.783 99 V N 2.873 122.693 119.914 -0.156 0.000 3.049 99 V HA 0.901 5.021 4.120 -0.000 0.000 0.309 99 V C 0.257 176.062 176.094 -0.482 0.000 1.148 99 V CA 0.269 62.414 62.300 -0.259 0.000 0.990 99 V CB 2.189 33.912 31.823 -0.167 0.000 1.039 99 V HN 0.903 nan 8.190 nan 0.000 0.430 100 G N 2.282 110.534 108.800 -0.914 0.000 2.362 100 G HA2 0.015 3.975 3.960 -0.000 0.000 0.656 100 G HA3 0.015 3.975 3.960 -0.000 0.000 0.656 100 G C -0.018 174.391 174.900 -0.819 0.000 1.376 100 G CA -0.189 44.098 45.100 -1.355 0.000 0.971 100 G HN 0.620 nan 8.290 nan 0.000 0.636 101 E N 0.212 120.038 120.200 -0.623 0.000 2.333 101 E HA -0.178 4.172 4.350 -0.000 0.000 0.200 101 E C 1.775 178.344 176.600 -0.052 0.000 1.010 101 E CA 1.401 57.717 56.400 -0.139 0.000 0.841 101 E CB 0.067 29.772 29.700 0.008 0.000 0.757 101 E HN 0.679 nan 8.360 nan 0.000 0.508 102 E N 0.365 120.502 120.200 -0.106 0.000 2.463 102 E HA -0.059 4.291 4.350 -0.000 0.000 0.191 102 E C 1.343 177.921 176.600 -0.037 0.000 1.083 102 E CA 0.220 56.591 56.400 -0.049 0.000 0.872 102 E CB 0.060 29.727 29.700 -0.055 0.000 0.966 102 E HN 0.217 nan 8.360 nan 0.000 0.491 103 L N 0.388 121.589 121.223 -0.036 0.000 2.408 103 L HA 0.166 4.506 4.340 -0.000 0.000 0.215 103 L C 1.089 177.979 176.870 0.034 0.000 1.081 103 L CA 0.246 55.079 54.840 -0.011 0.000 0.840 103 L CB -0.155 41.889 42.059 -0.025 0.000 1.002 103 L HN 0.092 nan 8.230 nan 0.000 0.468 104 L N 0.514 121.781 121.223 0.074 0.000 2.593 104 L HA 0.043 4.383 4.340 -0.000 0.000 0.287 104 L C 1.524 178.425 176.870 0.051 0.000 1.243 104 L CA 1.014 55.913 54.840 0.099 0.000 0.890 104 L CB -0.398 41.758 42.059 0.161 0.000 1.134 104 L HN 0.527 nan 8.230 nan 0.000 0.502 105 G N 1.806 110.620 108.800 0.024 0.000 2.184 105 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.264 105 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.264 105 G C 0.328 175.226 174.900 -0.003 0.000 0.975 105 G CA -0.182 44.915 45.100 -0.005 0.000 0.642 105 G HN 0.467 nan 8.290 nan 0.000 0.536 106 R N -0.467 120.037 120.500 0.007 0.000 2.598 106 R HA 0.679 5.019 4.340 -0.000 0.000 0.279 106 R C -0.147 176.156 176.300 0.005 0.000 0.984 106 R CA -0.962 55.139 56.100 0.002 0.000 0.999 106 R CB 1.555 31.854 30.300 -0.000 0.000 1.114 106 R HN 0.210 nan 8.270 nan 0.000 0.493 107 V N 3.263 123.179 119.914 0.004 0.000 2.304 107 V HA 0.270 4.390 4.120 -0.000 0.000 0.278 107 V C 0.129 176.227 176.094 0.007 0.000 1.018 107 V CA -0.726 61.580 62.300 0.010 0.000 0.814 107 V CB 1.205 33.034 31.823 0.010 0.000 1.021 107 V HN 0.557 nan 8.190 nan 0.000 0.440 108 V N 1.601 121.519 119.914 0.007 0.000 2.975 108 V HA 0.818 4.938 4.120 -0.000 0.000 0.318 108 V C -0.011 176.083 176.094 -0.000 0.000 1.077 108 V CA -0.763 61.536 62.300 -0.002 0.000 1.000 108 V CB 2.040 33.856 31.823 -0.011 0.000 1.066 108 V HN 0.729 nan 8.190 nan 0.000 0.452 109 D N 1.935 122.332 120.400 -0.006 0.000 2.478 109 D HA 0.452 5.092 4.640 -0.000 0.000 0.274 109 D C 1.062 177.347 176.300 -0.025 0.000 1.234 109 D CA 0.003 53.999 54.000 -0.006 0.000 1.069 109 D CB 0.862 41.661 40.800 -0.000 0.000 1.113 109 D HN 0.811 nan 8.370 nan 0.000 0.571 110 A N -0.950 121.851 122.820 -0.032 0.000 2.209 110 A HA 0.055 4.375 4.320 -0.000 0.000 0.212 110 A C 2.032 179.547 177.584 -0.115 0.000 1.158 110 A CA 0.530 52.529 52.037 -0.064 0.000 0.742 110 A CB -0.759 18.209 19.000 -0.054 0.000 0.790 110 A HN 0.510 nan 8.150 nan 0.000 0.472 111 L N -2.308 118.851 121.223 -0.107 0.000 2.616 111 L HA 0.270 4.610 4.340 -0.000 0.000 0.229 111 L C 1.693 178.510 176.870 -0.089 0.000 1.110 111 L CA 0.653 55.412 54.840 -0.135 0.000 0.884 111 L CB 0.336 42.320 42.059 -0.126 0.000 1.115 111 L HN 0.529 nan 8.230 nan 0.000 0.481 112 G N -0.520 108.242 108.800 -0.063 0.000 2.213 112 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.226 112 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.226 112 G C 0.131 175.009 174.900 -0.036 0.000 0.992 112 G CA -0.441 44.630 45.100 -0.050 0.000 0.632 112 G HN 0.293 nan 8.290 nan 0.000 0.511 113 N N 1.595 120.277 118.700 -0.030 0.000 2.458 113 N HA 0.471 5.211 4.740 -0.000 0.000 0.258 113 N C 0.642 176.145 175.510 -0.011 0.000 1.219 113 N CA 0.841 53.880 53.050 -0.017 0.000 0.902 113 N CB 1.103 39.585 38.487 -0.009 0.000 1.076 113 N HN 0.817 nan 8.380 nan 0.000 0.455 114 A N 1.925 124.740 122.820 -0.009 0.000 2.425 114 A HA 0.334 4.654 4.320 -0.000 0.000 0.249 114 A C 1.289 178.873 177.584 -0.000 0.000 1.084 114 A CA -0.374 51.660 52.037 -0.005 0.000 0.781 114 A CB -0.237 18.760 19.000 -0.006 0.000 1.019 114 A HN 0.829 nan 8.150 nan 0.000 0.490 115 I N -1.269 119.302 120.570 0.003 0.000 4.225 115 I HA 0.248 4.418 4.170 -0.000 0.000 0.327 115 I C 0.082 176.202 176.117 0.005 0.000 1.422 115 I CA -0.024 61.279 61.300 0.006 0.000 1.150 115 I CB 0.441 38.448 38.000 0.011 0.000 1.192 115 I HN 0.450 nan 8.210 nan 0.000 0.440 116 D N 1.296 121.698 120.400 0.002 0.000 2.340 116 D HA 0.131 4.771 4.640 -0.000 0.000 0.220 116 D C 1.736 178.035 176.300 -0.001 0.000 1.039 116 D CA 0.608 54.608 54.000 -0.000 0.000 0.866 116 D CB -0.111 40.687 40.800 -0.003 0.000 0.913 116 D HN 0.430 nan 8.370 nan 0.000 0.523 117 G N 0.939 109.740 108.800 0.001 0.000 2.233 117 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.270 117 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.270 117 G C 0.636 175.536 174.900 -0.001 0.000 1.011 117 G CA 0.461 45.561 45.100 0.001 0.000 0.762 117 G HN 0.458 nan 8.290 nan 0.000 0.511 118 K N 0.545 120.944 120.400 -0.003 0.000 2.708 118 K HA 0.443 4.763 4.320 -0.000 0.000 0.219 118 K C 1.230 177.827 176.600 -0.004 0.000 1.068 118 K CA 0.345 56.629 56.287 -0.004 0.000 1.212 118 K CB -0.181 32.316 32.500 -0.005 0.000 0.978 118 K HN 1.358 nan 8.250 nan 0.000 0.475 119 G N 2.814 111.612 108.800 -0.003 0.000 2.716 119 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.686 119 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.686 119 G C -2.643 172.253 174.900 -0.006 0.000 1.337 119 G CA -1.315 43.783 45.100 -0.004 0.000 0.829 119 G HN 0.080 nan 8.290 nan 0.000 0.599 120 P HA 0.186 nan 4.420 nan 0.000 0.266 120 P C 0.575 177.867 177.300 -0.014 0.000 1.186 120 P CA 0.001 63.095 63.100 -0.010 0.000 0.767 120 P CB 0.320 32.014 31.700 -0.009 0.000 0.820 121 I N 1.582 122.141 120.570 -0.019 0.000 2.396 121 I HA 0.126 4.296 4.170 -0.000 0.000 0.289 121 I C 1.466 177.565 176.117 -0.031 0.000 1.056 121 I CA 0.021 61.305 61.300 -0.026 0.000 1.365 121 I CB 0.115 38.095 38.000 -0.034 0.000 1.407 121 I HN 0.403 nan 8.210 nan 0.000 0.509 122 G N 4.703 113.485 108.800 -0.030 0.000 3.209 122 G HA2 0.182 4.142 3.960 -0.000 0.000 0.274 122 G HA3 0.182 4.142 3.960 -0.000 0.000 0.274 122 G C 0.236 175.108 174.900 -0.046 0.000 0.850 122 G CA -0.124 44.958 45.100 -0.031 0.000 1.907 122 G HN 0.566 nan 8.290 nan 0.000 0.591 123 S N 0.433 116.101 115.700 -0.054 0.000 2.525 123 S HA 0.337 4.807 4.470 -0.000 0.000 0.278 123 S C 1.257 175.820 174.600 -0.062 0.000 1.234 123 S CA -0.656 57.499 58.200 -0.075 0.000 1.058 123 S CB 1.287 64.434 63.200 -0.089 0.000 0.983 123 S HN 0.576 nan 8.310 nan 0.000 0.495 124 K N 2.247 122.606 120.400 -0.069 0.000 2.141 124 K HA 0.289 4.609 4.320 -0.000 0.000 0.202 124 K C 0.765 177.338 176.600 -0.046 0.000 1.045 124 K CA 0.418 56.678 56.287 -0.046 0.000 0.971 124 K CB -0.005 32.474 32.500 -0.034 0.000 0.795 124 K HN 0.607 nan 8.250 nan 0.000 0.459 125 A N 1.645 124.428 122.820 -0.063 0.000 2.286 125 A HA 0.470 4.790 4.320 -0.000 0.000 0.286 125 A C -0.383 177.164 177.584 -0.062 0.000 1.097 125 A CA -0.341 51.667 52.037 -0.048 0.000 0.821 125 A CB 0.576 19.561 19.000 -0.025 0.000 1.076 125 A HN 0.150 nan 8.150 nan 0.000 0.490 126 R N -0.562 119.913 120.500 -0.040 0.000 2.837 126 R HA 0.726 5.066 4.340 -0.000 0.000 0.271 126 R C -0.823 175.460 176.300 -0.027 0.000 0.993 126 R CA -0.796 55.280 56.100 -0.040 0.000 0.931 126 R CB 2.439 32.719 30.300 -0.033 0.000 1.206 126 R HN 0.839 nan 8.270 nan 0.000 0.474 127 R N 0.952 121.435 120.500 -0.028 0.000 2.566 127 R HA 0.292 4.632 4.340 -0.000 0.000 0.271 127 R C -1.145 175.144 176.300 -0.018 0.000 1.071 127 R CA -0.704 55.387 56.100 -0.015 0.000 0.915 127 R CB 1.569 31.865 30.300 -0.007 0.000 1.228 127 R HN 0.536 nan 8.270 nan 0.000 0.449 128 R N 1.969 122.461 120.500 -0.013 0.000 2.590 128 R HA 0.048 4.388 4.340 -0.000 0.000 0.274 128 R C 1.413 177.701 176.300 -0.019 0.000 1.061 128 R CA 0.251 56.340 56.100 -0.018 0.000 1.081 128 R CB 0.805 31.096 30.300 -0.015 0.000 0.984 128 R HN 0.593 nan 8.270 nan 0.000 0.448 129 V N 0.314 120.209 119.914 -0.032 0.000 2.591 129 V HA 0.042 4.162 4.120 -0.000 0.000 0.249 129 V C 1.365 177.433 176.094 -0.044 0.000 1.053 129 V CA 1.728 64.016 62.300 -0.021 0.000 1.068 129 V CB -0.339 31.459 31.823 -0.041 0.000 0.689 129 V HN 0.879 nan 8.190 nan 0.000 0.462 130 G N 0.497 109.244 108.800 -0.089 0.000 3.314 130 G HA2 0.349 4.309 3.960 -0.000 0.000 0.238 130 G HA3 0.349 4.309 3.960 -0.000 0.000 0.238 130 G C 0.410 175.270 174.900 -0.066 0.000 1.184 130 G CA -0.451 44.572 45.100 -0.128 0.000 0.806 130 G HN 0.487 nan 8.290 nan 0.000 0.536 131 L N 0.217 121.424 121.223 -0.026 0.000 2.483 131 L HA 0.198 4.538 4.340 -0.000 0.000 0.275 131 L C 0.878 177.747 176.870 -0.003 0.000 1.220 131 L CA -0.284 54.551 54.840 -0.008 0.000 0.833 131 L CB 0.634 42.695 42.059 0.004 0.000 1.102 131 L HN 0.052 nan 8.230 nan 0.000 0.490 132 K N 1.897 122.301 120.400 0.007 0.000 2.270 132 K HA 0.451 4.771 4.320 -0.000 0.000 0.276 132 K C -0.187 176.421 176.600 0.013 0.000 1.023 132 K CA -0.413 55.885 56.287 0.018 0.000 0.955 132 K CB 1.137 33.654 32.500 0.027 0.000 0.975 132 K HN 0.627 nan 8.250 nan 0.000 0.471 133 A N 4.908 127.738 122.820 0.016 0.000 2.466 133 A HA 0.263 4.583 4.320 -0.000 0.000 0.238 133 A C -2.108 175.469 177.584 -0.011 0.000 1.074 133 A CA -1.109 50.931 52.037 0.006 0.000 0.774 133 A CB -0.605 18.400 19.000 0.009 0.000 1.015 133 A HN 0.685 nan 8.150 nan 0.000 0.498 134 P HA 0.191 nan 4.420 nan 0.000 0.266 134 P C 0.721 177.980 177.300 -0.068 0.000 1.195 134 P CA 0.535 63.592 63.100 -0.071 0.000 0.768 134 P CB 0.302 31.936 31.700 -0.110 0.000 0.838 135 G N 1.505 110.256 108.800 -0.082 0.000 2.479 135 G HA2 0.083 4.043 3.960 -0.000 0.000 0.275 135 G HA3 0.083 4.043 3.960 -0.000 0.000 0.275 135 G C 1.095 175.951 174.900 -0.074 0.000 1.421 135 G CA -0.533 44.529 45.100 -0.063 0.000 1.059 135 G HN 0.424 nan 8.290 nan 0.000 0.535 136 I N -0.296 120.242 120.570 -0.052 0.000 2.233 136 I HA -0.092 4.078 4.170 -0.000 0.000 0.243 136 I C 2.574 178.654 176.117 -0.062 0.000 1.093 136 I CA 0.389 61.663 61.300 -0.043 0.000 1.380 136 I CB -0.107 37.881 38.000 -0.020 0.000 1.067 136 I HN 0.242 nan 8.210 nan 0.000 0.413 137 I N 1.358 121.886 120.570 -0.070 0.000 2.127 137 I HA -0.178 3.992 4.170 -0.000 0.000 0.241 137 I C -0.114 175.918 176.117 -0.141 0.000 1.075 137 I CA 1.951 63.212 61.300 -0.064 0.000 1.334 137 I CB -2.748 35.241 38.000 -0.019 0.000 1.040 137 I HN 0.181 nan 8.210 nan 0.000 0.405 138 P HA -0.093 nan 4.420 nan 0.000 0.225 138 P C 0.512 177.612 177.300 -0.332 0.000 1.148 138 P CA 1.033 63.684 63.100 -0.748 0.000 0.779 138 P CB 0.006 30.995 31.700 -1.185 0.000 0.780 139 R N -0.499 119.901 120.500 -0.166 0.000 2.549 139 R HA 0.640 4.980 4.340 -0.000 0.000 0.259 139 R C -0.146 176.144 176.300 -0.017 0.000 1.095 139 R CA -0.750 55.307 56.100 -0.071 0.000 1.148 139 R CB 0.519 30.787 30.300 -0.054 0.000 1.181 139 R HN -0.052 nan 8.270 nan 0.000 0.571 140 I N -1.236 119.337 120.570 0.005 0.000 2.841 140 I HA 0.152 4.322 4.170 -0.000 0.000 0.298 140 I C -0.825 175.302 176.117 0.015 0.000 1.304 140 I CA -0.140 61.171 61.300 0.018 0.000 1.019 140 I CB 2.539 40.560 38.000 0.035 0.000 1.282 140 I HN 0.478 nan 8.210 nan 0.000 0.432 141 S N 4.359 120.068 115.700 0.014 0.000 2.626 141 S HA 0.182 4.652 4.470 -0.000 0.000 0.303 141 S C -0.053 174.552 174.600 0.009 0.000 1.256 141 S CA 0.008 58.214 58.200 0.010 0.000 1.069 141 S CB -0.109 63.097 63.200 0.010 0.000 0.807 141 S HN 0.826 nan 8.310 nan 0.000 0.500 142 V N 4.632 124.549 119.914 0.004 0.000 2.617 142 V HA 0.225 4.345 4.120 -0.000 0.000 0.304 142 V C 1.044 177.133 176.094 -0.008 0.000 1.040 142 V CA 0.180 62.478 62.300 -0.003 0.000 1.149 142 V CB 0.230 32.046 31.823 -0.012 0.000 0.914 142 V HN 0.996 nan 8.190 nan 0.000 0.487 143 R N 1.571 122.062 120.500 -0.015 0.000 2.555 143 R HA 0.390 4.730 4.340 -0.000 0.000 0.312 143 R C -0.062 176.218 176.300 -0.034 0.000 0.938 143 R CA -0.297 55.793 56.100 -0.015 0.000 1.112 143 R CB 0.436 30.735 30.300 -0.003 0.000 1.535 143 R HN 0.751 nan 8.270 nan 0.000 0.525 144 E N 3.612 123.775 120.200 -0.062 0.000 2.175 144 E HA 0.351 4.701 4.350 -0.000 0.000 0.278 144 E C -2.524 174.006 176.600 -0.118 0.000 0.969 144 E CA -2.457 53.881 56.400 -0.103 0.000 0.796 144 E CB 1.796 31.387 29.700 -0.182 0.000 1.104 144 E HN -0.032 nan 8.360 nan 0.000 0.395 145 P HA -0.020 nan 4.420 nan 0.000 0.269 145 P C -0.623 176.578 177.300 -0.165 0.000 1.209 145 P CA -0.024 63.015 63.100 -0.102 0.000 0.776 145 P CB 0.506 32.165 31.700 -0.069 0.000 0.876 146 M N 3.023 122.539 119.600 -0.140 0.000 2.182 146 M HA 0.128 4.608 4.480 -0.000 0.000 0.285 146 M C -0.450 175.777 176.300 -0.120 0.000 0.956 146 M CA -0.473 54.724 55.300 -0.173 0.000 0.878 146 M CB 0.211 32.733 32.600 -0.131 0.000 1.373 146 M HN 0.320 nan 8.290 nan 0.000 0.393 147 Q N 1.667 121.390 119.800 -0.128 0.000 2.330 147 Q HA 0.124 4.464 4.340 -0.000 0.000 0.279 147 Q C 1.031 177.034 176.000 0.005 0.000 1.024 147 Q CA 0.518 56.310 55.803 -0.018 0.000 0.900 147 Q CB 0.562 29.357 28.738 0.095 0.000 1.221 147 Q HN 0.699 nan 8.270 nan 0.000 0.396 148 T N -1.924 112.645 114.554 0.025 0.000 3.034 148 T HA 0.234 4.584 4.350 -0.000 0.000 0.248 148 T C 1.244 175.974 174.700 0.050 0.000 1.040 148 T CA 0.448 62.566 62.100 0.029 0.000 1.107 148 T CB 0.241 69.120 68.868 0.019 0.000 0.932 148 T HN 0.835 nan 8.240 nan 0.000 0.474 149 G N 1.673 110.506 108.800 0.054 0.000 2.195 149 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.246 149 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.246 149 G C 0.027 174.948 174.900 0.034 0.000 0.984 149 G CA -0.061 45.070 45.100 0.051 0.000 0.633 149 G HN 0.634 nan 8.290 nan 0.000 0.525 150 I N 1.839 122.427 120.570 0.030 0.000 2.297 150 I HA 0.219 4.389 4.170 -0.000 0.000 0.291 150 I C 1.688 177.821 176.117 0.027 0.000 1.033 150 I CA -0.756 60.558 61.300 0.024 0.000 1.253 150 I CB 1.193 39.205 38.000 0.020 0.000 1.396 150 I HN 0.051 nan 8.210 nan 0.000 0.476 151 K N 4.779 125.196 120.400 0.027 0.000 2.059 151 K HA -0.257 4.062 4.320 -0.000 0.000 0.212 151 K C 2.043 178.660 176.600 0.029 0.000 1.050 151 K CA 1.813 58.117 56.287 0.029 0.000 0.927 151 K CB -0.329 32.188 32.500 0.029 0.000 0.714 151 K HN 0.770 nan 8.250 nan 0.000 0.447 152 A N 1.464 124.302 122.820 0.030 0.000 1.883 152 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 152 A C 2.541 180.146 177.584 0.035 0.000 1.186 152 A CA 1.766 53.824 52.037 0.035 0.000 0.624 152 A CB -0.768 18.258 19.000 0.043 0.000 0.822 152 A HN 0.105 nan 8.150 nan 0.000 0.444 153 V N 0.721 120.655 119.914 0.033 0.000 2.244 153 V HA -0.206 3.914 4.120 -0.000 0.000 0.244 153 V C 1.967 178.076 176.094 0.024 0.000 1.042 153 V CA 2.144 64.461 62.300 0.028 0.000 1.006 153 V CB -0.875 30.962 31.823 0.024 0.000 0.641 153 V HN 0.504 nan 8.190 nan 0.000 0.446 154 D N 0.452 120.866 120.400 0.024 0.000 2.350 154 D HA -0.083 4.557 4.640 -0.000 0.000 0.216 154 D C 2.260 178.575 176.300 0.024 0.000 0.968 154 D CA 1.559 55.573 54.000 0.022 0.000 0.894 154 D CB 0.036 40.852 40.800 0.027 0.000 0.909 154 D HN 0.642 nan 8.370 nan 0.000 0.520 155 S N -0.521 115.195 115.700 0.026 0.000 2.460 155 S HA 0.090 4.560 4.470 -0.000 0.000 0.226 155 S C 1.928 176.543 174.600 0.025 0.000 1.057 155 S CA -0.086 58.130 58.200 0.026 0.000 0.948 155 S CB -0.064 63.152 63.200 0.027 0.000 0.822 155 S HN 0.133 nan 8.310 nan 0.000 0.512 156 L N 0.965 122.205 121.223 0.028 0.000 2.609 156 L HA 0.423 4.763 4.340 -0.000 0.000 0.230 156 L C -0.147 176.743 176.870 0.033 0.000 1.087 156 L CA 0.074 54.932 54.840 0.031 0.000 0.874 156 L CB 0.888 42.969 42.059 0.038 0.000 1.114 156 L HN 0.141 nan 8.230 nan 0.000 0.488 157 V N 0.269 120.200 119.914 0.030 0.000 2.575 157 V HA 0.242 4.362 4.120 -0.000 0.000 0.281 157 V C -2.454 173.648 176.094 0.014 0.000 1.087 157 V CA -1.195 61.121 62.300 0.026 0.000 1.193 157 V CB 0.307 32.150 31.823 0.033 0.000 1.426 157 V HN -0.039 nan 8.190 nan 0.000 0.623 158 P HA 0.053 nan 4.420 nan 0.000 0.258 158 P C -0.330 176.967 177.300 -0.006 0.000 1.172 158 P CA 0.615 63.717 63.100 0.003 0.000 0.762 158 P CB 0.339 32.041 31.700 0.003 0.000 0.764 159 I N 3.018 123.578 120.570 -0.015 0.000 2.385 159 I HA 0.421 4.591 4.170 -0.000 0.000 0.294 159 I C 1.246 177.340 176.117 -0.038 0.000 0.988 159 I CA -0.523 60.762 61.300 -0.025 0.000 1.265 159 I CB 0.769 38.750 38.000 -0.031 0.000 1.388 159 I HN 0.306 nan 8.210 nan 0.000 0.480 160 G N 5.529 114.306 108.800 -0.037 0.000 2.461 160 G HA2 0.526 4.486 3.960 -0.000 0.000 0.329 160 G HA3 0.526 4.486 3.960 -0.000 0.000 0.329 160 G C -0.293 174.570 174.900 -0.062 0.000 1.170 160 G CA -0.876 44.194 45.100 -0.050 0.000 0.935 160 G HN 0.517 nan 8.290 nan 0.000 0.492 161 R N -0.011 120.434 120.500 -0.090 0.000 2.316 161 R HA 0.429 4.769 4.340 -0.000 0.000 0.314 161 R C 0.963 177.245 176.300 -0.031 0.000 1.069 161 R CA 0.886 56.929 56.100 -0.094 0.000 0.959 161 R CB 0.868 31.046 30.300 -0.204 0.000 0.987 161 R HN 1.064 nan 8.270 nan 0.000 0.446 162 G N 1.935 110.733 108.800 -0.004 0.000 2.168 162 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.197 162 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.197 162 G C 0.037 174.941 174.900 0.007 0.000 0.997 162 G CA -0.123 44.988 45.100 0.018 0.000 0.658 162 G HN 0.582 nan 8.290 nan 0.000 0.513 163 Q N -0.206 119.591 119.800 -0.005 0.000 2.212 163 Q HA 0.759 5.099 4.340 -0.000 0.000 0.238 163 Q C -0.195 175.804 176.000 -0.003 0.000 0.955 163 Q CA -0.756 55.043 55.803 -0.006 0.000 0.906 163 Q CB 0.603 29.332 28.738 -0.014 0.000 1.215 163 Q HN 0.220 nan 8.270 nan 0.000 0.478 164 R N 1.898 122.396 120.500 -0.004 0.000 2.337 164 R HA 0.309 4.649 4.340 -0.000 0.000 0.319 164 R C -1.534 174.756 176.300 -0.018 0.000 0.954 164 R CA -0.487 55.611 56.100 -0.004 0.000 0.840 164 R CB 1.589 31.887 30.300 -0.005 0.000 1.164 164 R HN 0.549 nan 8.270 nan 0.000 0.472 165 E N 2.883 123.069 120.200 -0.023 0.000 2.199 165 E HA 0.351 4.701 4.350 -0.000 0.000 0.265 165 E C -1.485 175.084 176.600 -0.051 0.000 0.882 165 E CA -0.916 55.462 56.400 -0.037 0.000 0.759 165 E CB 1.132 30.814 29.700 -0.030 0.000 1.148 165 E HN 0.395 nan 8.360 nan 0.000 0.412 166 L N 5.296 126.470 121.223 -0.082 0.000 2.312 166 L HA 0.474 4.814 4.340 -0.000 0.000 0.281 166 L C -1.096 175.707 176.870 -0.113 0.000 1.070 166 L CA -0.427 54.352 54.840 -0.102 0.000 0.805 166 L CB 0.729 42.706 42.059 -0.136 0.000 1.174 166 L HN 0.557 nan 8.230 nan 0.000 0.434 167 I N 7.035 127.555 120.570 -0.083 0.000 2.312 167 I HA 0.378 4.548 4.170 -0.000 0.000 0.290 167 I C -0.217 175.855 176.117 -0.075 0.000 1.008 167 I CA -0.156 61.106 61.300 -0.064 0.000 1.226 167 I CB 0.809 38.795 38.000 -0.025 0.000 1.371 167 I HN 0.634 nan 8.210 nan 0.000 0.468 168 I N 4.823 125.338 120.570 -0.092 0.000 2.582 168 I HA 0.852 5.022 4.170 -0.000 0.000 0.292 168 I C -0.294 175.836 176.117 0.022 0.000 1.066 168 I CA 0.039 61.301 61.300 -0.064 0.000 1.053 168 I CB 2.190 40.104 38.000 -0.144 0.000 1.241 168 I HN 0.707 nan 8.210 nan 0.000 0.421 169 G N 5.188 114.009 108.800 0.035 0.000 2.349 169 G HA2 0.213 4.173 3.960 -0.000 0.000 0.294 169 G HA3 0.213 4.173 3.960 -0.000 0.000 0.294 169 G C -1.888 173.025 174.900 0.022 0.000 1.380 169 G CA -0.678 44.454 45.100 0.052 0.000 0.811 169 G HN 0.489 nan 8.290 nan 0.000 0.519 170 D N -0.047 120.358 120.400 0.008 0.000 2.414 170 D HA 0.327 4.967 4.640 -0.000 0.000 0.259 170 D C 1.080 177.364 176.300 -0.028 0.000 1.269 170 D CA -0.212 53.787 54.000 -0.002 0.000 1.028 170 D CB 0.442 41.241 40.800 -0.002 0.000 1.093 170 D HN 0.680 nan 8.370 nan 0.000 0.545 171 R N 0.089 120.578 120.500 -0.017 0.000 2.679 171 R HA 0.022 4.362 4.340 -0.000 0.000 0.268 171 R C -0.104 176.157 176.300 -0.066 0.000 1.044 171 R CA -0.211 55.876 56.100 -0.023 0.000 1.105 171 R CB 0.161 30.463 30.300 0.002 0.000 0.989 171 R HN 0.224 nan 8.270 nan 0.000 0.447 172 Q N 0.040 119.791 119.800 -0.082 0.000 2.475 172 Q HA -0.148 4.192 4.340 -0.000 0.000 0.280 172 Q C -0.008 175.738 176.000 -0.423 0.000 1.234 172 Q CA 1.710 57.423 55.803 -0.151 0.000 0.873 172 Q CB -1.624 27.076 28.738 -0.063 0.000 1.256 172 Q HN 0.991 nan 8.270 nan 0.000 0.475 173 T N -4.500 109.798 114.554 -0.426 0.000 3.069 173 T HA 0.427 4.777 4.350 -0.000 0.000 0.252 173 T C 1.086 175.428 174.700 -0.598 0.000 1.053 173 T CA 0.513 62.174 62.100 -0.732 0.000 0.964 173 T CB 0.996 69.678 68.868 -0.311 0.000 1.005 173 T HN 0.764 nan 8.240 nan 0.000 0.532 174 G N 1.850 110.468 108.800 -0.303 0.000 2.207 174 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.216 174 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.216 174 G C 0.539 175.437 174.900 -0.003 0.000 1.053 174 G CA 0.198 45.279 45.100 -0.031 0.000 0.764 174 G HN 0.496 nan 8.290 nan 0.000 0.495 175 K N -0.547 119.840 120.400 -0.023 0.000 1.980 175 K HA 0.001 4.321 4.320 -0.000 0.000 0.208 175 K C 2.674 179.292 176.600 0.030 0.000 1.043 175 K CA 1.787 58.077 56.287 0.005 0.000 0.938 175 K CB -0.418 32.081 32.500 -0.002 0.000 0.724 175 K HN 0.250 nan 8.250 nan 0.000 0.438 176 T N 1.304 115.887 114.554 0.048 0.000 2.685 176 T HA -0.183 4.167 4.350 -0.000 0.000 0.268 176 T C 2.049 176.776 174.700 0.044 0.000 1.034 176 T CA 1.811 63.962 62.100 0.085 0.000 1.149 176 T CB -0.393 68.536 68.868 0.102 0.000 0.860 176 T HN 0.145 nan 8.240 nan 0.000 0.449 177 S N 0.790 116.500 115.700 0.015 0.000 2.420 177 S HA -0.056 4.414 4.470 -0.000 0.000 0.237 177 S C 1.936 176.522 174.600 -0.023 0.000 1.023 177 S CA 0.873 59.055 58.200 -0.029 0.000 0.991 177 S CB -0.450 62.724 63.200 -0.044 0.000 0.792 177 S HN 0.468 nan 8.310 nan 0.000 0.488 178 I N 1.000 121.576 120.570 0.009 0.000 2.406 178 I HA -0.128 4.042 4.170 -0.000 0.000 0.249 178 I C 2.636 178.766 176.117 0.022 0.000 1.122 178 I CA 0.801 62.108 61.300 0.012 0.000 1.431 178 I CB -0.508 37.505 38.000 0.021 0.000 1.087 178 I HN 0.272 nan 8.210 nan 0.000 0.424 179 A N 1.664 124.509 122.820 0.043 0.000 1.865 179 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 179 A C 2.170 179.782 177.584 0.048 0.000 1.191 179 A CA 1.468 53.547 52.037 0.070 0.000 0.623 179 A CB -0.579 18.514 19.000 0.156 0.000 0.826 179 A HN 0.245 nan 8.150 nan 0.000 0.444 180 I N 0.716 121.295 120.570 0.015 0.000 2.058 180 I HA -0.240 3.930 4.170 -0.000 0.000 0.235 180 I C 1.967 178.102 176.117 0.029 0.000 1.053 180 I CA 1.927 63.226 61.300 -0.003 0.000 1.313 180 I CB -2.001 35.994 38.000 -0.008 0.000 1.039 180 I HN 0.271 nan 8.210 nan 0.000 0.396 181 D N 0.719 121.123 120.400 0.006 0.000 2.191 181 D HA -0.181 4.459 4.640 -0.000 0.000 0.195 181 D C 2.169 178.499 176.300 0.050 0.000 1.003 181 D CA 1.876 55.889 54.000 0.022 0.000 0.867 181 D CB -0.435 40.357 40.800 -0.014 0.000 0.926 181 D HN 0.341 nan 8.370 nan 0.000 0.450 182 T N 0.405 114.984 114.554 0.042 0.000 2.708 182 T HA -0.082 4.268 4.350 -0.000 0.000 0.266 182 T C 2.179 176.925 174.700 0.076 0.000 1.037 182 T CA 0.665 62.794 62.100 0.048 0.000 1.146 182 T CB -0.234 68.652 68.868 0.030 0.000 0.865 182 T HN 0.185 nan 8.240 nan 0.000 0.435 183 I N 0.533 121.156 120.570 0.088 0.000 2.127 183 I HA -0.154 4.016 4.170 -0.000 0.000 0.241 183 I C 2.336 178.600 176.117 0.245 0.000 1.075 183 I CA 1.409 62.801 61.300 0.153 0.000 1.334 183 I CB -0.411 37.650 38.000 0.103 0.000 1.040 183 I HN 0.193 nan 8.210 nan 0.000 0.405 184 I N 0.899 121.573 120.570 0.173 0.000 2.208 184 I HA -0.341 3.829 4.170 -0.000 0.000 0.245 184 I C 2.230 178.460 176.117 0.188 0.000 1.097 184 I CA 1.753 63.167 61.300 0.190 0.000 1.363 184 I CB -0.442 37.637 38.000 0.132 0.000 1.051 184 I HN 0.339 nan 8.210 nan 0.000 0.413 185 N N 0.253 119.038 118.700 0.141 0.000 2.443 185 N HA -0.229 4.511 4.740 -0.000 0.000 0.184 185 N C 1.790 177.415 175.510 0.191 0.000 1.037 185 N CA 0.884 54.012 53.050 0.131 0.000 0.896 185 N CB 0.125 38.688 38.487 0.126 0.000 0.959 185 N HN 0.159 nan 8.380 nan 0.000 0.442 186 Q N 0.628 120.518 119.800 0.150 0.000 2.230 186 Q HA -0.022 4.318 4.340 -0.000 0.000 0.202 186 Q C 1.639 177.582 176.000 -0.095 0.000 0.963 186 Q CA 0.873 56.708 55.803 0.053 0.000 0.866 186 Q CB -0.204 28.388 28.738 -0.243 0.000 0.931 186 Q HN 0.391 nan 8.270 nan 0.000 0.452 187 K N 0.704 121.050 120.400 -0.091 0.000 2.160 187 K HA -0.220 4.100 4.320 -0.000 0.000 0.206 187 K C 1.857 178.401 176.600 -0.094 0.000 1.047 187 K CA 1.445 57.707 56.287 -0.041 0.000 0.930 187 K CB -0.054 32.577 32.500 0.218 0.000 0.720 187 K HN 0.193 nan 8.250 nan 0.000 0.450 188 R N -0.137 120.261 120.500 -0.169 0.000 2.200 188 R HA -0.156 4.184 4.340 -0.000 0.000 0.234 188 R C 1.099 177.095 176.300 -0.506 0.000 1.127 188 R CA 1.631 57.494 56.100 -0.393 0.000 0.989 188 R CB -0.245 29.729 30.300 -0.544 0.000 0.869 188 R HN 0.199 nan 8.270 nan 0.000 0.459 189 F N 0.275 120.127 119.950 -0.163 0.000 2.602 189 F HA 0.302 4.829 4.527 -0.000 0.000 0.284 189 F C 1.819 177.500 175.800 -0.198 0.000 1.111 189 F CA -0.384 57.520 58.000 -0.161 0.000 1.405 189 F CB -0.420 38.477 39.000 -0.172 0.000 1.121 189 F HN -0.107 nan 8.300 nan 0.000 0.603 190 N N 0.519 119.169 118.700 -0.084 0.000 2.309 190 N HA -0.133 4.607 4.740 -0.000 0.000 0.182 190 N C 0.679 176.142 175.510 -0.079 0.000 1.018 190 N CA 1.240 54.166 53.050 -0.206 0.000 0.876 190 N CB -0.320 37.872 38.487 -0.492 0.000 0.972 190 N HN 0.221 nan 8.380 nan 0.000 0.434 191 D N 0.052 120.420 120.400 -0.054 0.000 2.328 191 D HA 0.116 4.756 4.640 -0.000 0.000 0.226 191 D C 0.982 177.267 176.300 -0.025 0.000 1.066 191 D CA 0.069 54.057 54.000 -0.019 0.000 0.861 191 D CB -0.069 40.722 40.800 -0.015 0.000 0.912 191 D HN 0.141 nan 8.370 nan 0.000 0.521 192 G N -0.741 108.043 108.800 -0.027 0.000 2.537 192 G HA2 0.289 4.249 3.960 -0.000 0.000 0.297 192 G HA3 0.289 4.249 3.960 -0.000 0.000 0.297 192 G C 1.065 175.967 174.900 0.004 0.000 1.310 192 G CA -0.169 44.921 45.100 -0.017 0.000 1.027 192 G HN 0.018 nan 8.290 nan 0.000 0.505 193 T N -0.357 114.202 114.554 0.008 0.000 2.781 193 T HA -0.003 4.347 4.350 -0.000 0.000 0.252 193 T C 0.851 175.568 174.700 0.028 0.000 1.039 193 T CA 0.834 62.944 62.100 0.016 0.000 1.147 193 T CB -0.252 68.623 68.868 0.012 0.000 0.865 193 T HN 0.461 nan 8.240 nan 0.000 0.423 194 D N 2.205 122.625 120.400 0.033 0.000 2.412 194 D HA -0.007 4.633 4.640 -0.000 0.000 0.257 194 D C 1.035 177.365 176.300 0.050 0.000 1.217 194 D CA -0.069 53.956 54.000 0.042 0.000 0.897 194 D CB 0.685 41.513 40.800 0.046 0.000 1.132 194 D HN 0.213 nan 8.370 nan 0.000 0.493 195 E N 3.412 123.647 120.200 0.057 0.000 2.347 195 E HA -0.123 4.227 4.350 -0.000 0.000 0.196 195 E C 0.998 177.655 176.600 0.095 0.000 1.008 195 E CA 0.620 57.065 56.400 0.075 0.000 0.852 195 E CB -0.007 29.746 29.700 0.087 0.000 0.783 195 E HN 0.565 nan 8.360 nan 0.000 0.505 196 K N 0.566 121.021 120.400 0.093 0.000 2.444 196 K HA 0.099 4.419 4.320 -0.000 0.000 0.193 196 K C 1.556 178.223 176.600 0.111 0.000 1.024 196 K CA 0.219 56.593 56.287 0.146 0.000 1.077 196 K CB 0.379 32.949 32.500 0.116 0.000 0.833 196 K HN -0.109 nan 8.250 nan 0.000 0.517 197 K N 0.710 121.137 120.400 0.044 0.000 2.373 197 K HA 0.122 4.442 4.320 -0.000 0.000 0.202 197 K C -0.112 176.413 176.600 -0.126 0.000 1.025 197 K CA 0.123 56.388 56.287 -0.037 0.000 1.115 197 K CB 0.633 33.177 32.500 0.074 0.000 0.858 197 K HN 0.056 nan 8.250 nan 0.000 0.525 198 K N 0.758 121.108 120.400 -0.083 0.000 2.109 198 K HA 0.386 4.706 4.320 -0.000 0.000 0.243 198 K C -0.750 175.682 176.600 -0.279 0.000 1.006 198 K CA -0.804 55.354 56.287 -0.215 0.000 0.917 198 K CB 1.031 33.378 32.500 -0.256 0.000 1.081 198 K HN -0.197 nan 8.250 nan 0.000 0.468 199 L N 2.187 123.133 121.223 -0.463 0.000 2.611 199 L HA 0.270 4.610 4.340 -0.000 0.000 0.263 199 L C -1.793 174.802 176.870 -0.459 0.000 0.969 199 L CA -0.303 54.322 54.840 -0.359 0.000 0.894 199 L CB 0.851 42.715 42.059 -0.325 0.000 1.229 199 L HN 0.453 nan 8.230 nan 0.000 0.416 200 Y N 2.865 123.006 120.300 -0.264 0.000 2.335 200 Y HA 0.424 4.974 4.550 -0.000 0.000 0.331 200 Y C 0.653 176.444 175.900 -0.182 0.000 1.094 200 Y CA -0.168 57.760 58.100 -0.287 0.000 1.253 200 Y CB 0.716 38.713 38.460 -0.772 0.000 1.203 200 Y HN 0.472 nan 8.280 nan 0.000 0.508 201 C N 4.600 123.968 119.300 0.112 0.000 2.370 201 C HA 0.697 5.157 4.460 -0.000 0.000 0.354 201 C C -0.067 174.965 174.990 0.069 0.000 1.218 201 C CA -0.881 58.188 59.018 0.085 0.000 2.154 201 C CB -0.122 27.708 27.740 0.150 0.000 2.391 201 C HN 0.561 nan 8.230 nan 0.000 0.540 202 I N 1.995 122.586 120.570 0.034 0.000 2.498 202 I HA 0.334 4.504 4.170 -0.000 0.000 0.290 202 I C -0.719 175.410 176.117 0.021 0.000 1.032 202 I CA -0.352 60.963 61.300 0.025 0.000 1.073 202 I CB 1.006 39.004 38.000 -0.004 0.000 1.251 202 I HN 0.632 nan 8.210 nan 0.000 0.426 203 Y N 6.566 126.820 120.300 -0.077 0.000 2.338 203 Y HA 0.708 5.258 4.550 -0.000 0.000 0.328 203 Y C -1.078 174.774 175.900 -0.080 0.000 0.965 203 Y CA -0.922 57.127 58.100 -0.086 0.000 1.208 203 Y CB 1.204 39.634 38.460 -0.049 0.000 1.132 203 Y HN 0.326 nan 8.280 nan 0.000 0.469 204 V N 5.776 125.389 119.914 -0.502 0.000 2.407 204 V HA 0.747 4.867 4.120 -0.000 0.000 0.278 204 V C 0.047 175.857 176.094 -0.473 0.000 1.037 204 V CA -0.530 61.561 62.300 -0.347 0.000 0.900 204 V CB 0.952 32.648 31.823 -0.212 0.000 0.983 204 V HN 0.899 nan 8.190 nan 0.000 0.459 205 A N 6.883 129.560 122.820 -0.239 0.000 2.287 205 A HA 0.890 5.210 4.320 -0.000 0.000 0.317 205 A C -0.637 176.914 177.584 -0.055 0.000 1.220 205 A CA -0.486 51.468 52.037 -0.139 0.000 0.835 205 A CB 0.439 19.468 19.000 0.048 0.000 1.180 205 A HN 0.798 nan 8.150 nan 0.000 0.500 206 I N 1.810 122.353 120.570 -0.045 0.000 2.466 206 I HA 0.568 4.738 4.170 -0.000 0.000 0.289 206 I C 1.163 177.293 176.117 0.022 0.000 1.026 206 I CA -0.232 61.065 61.300 -0.004 0.000 1.078 206 I CB 1.866 39.856 38.000 -0.016 0.000 1.249 206 I HN 0.968 nan 8.210 nan 0.000 0.429 207 G N 3.599 112.424 108.800 0.041 0.000 2.228 207 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.270 207 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.270 207 G C 0.495 175.423 174.900 0.047 0.000 0.976 207 G CA 0.065 45.194 45.100 0.049 0.000 0.636 207 G HN 0.604 nan 8.290 nan 0.000 0.542 208 Q N 0.019 119.847 119.800 0.047 0.000 2.697 208 Q HA 0.451 4.791 4.340 -0.000 0.000 0.196 208 Q C 0.488 176.519 176.000 0.053 0.000 1.121 208 Q CA 0.150 55.986 55.803 0.056 0.000 1.151 208 Q CB 0.368 29.153 28.738 0.078 0.000 1.250 208 Q HN 0.456 nan 8.270 nan 0.000 0.658 209 K N 0.675 121.107 120.400 0.054 0.000 2.156 209 K HA 0.200 4.520 4.320 -0.000 0.000 0.271 209 K C 1.308 177.936 176.600 0.047 0.000 0.995 209 K CA -0.359 55.955 56.287 0.046 0.000 0.890 209 K CB 0.970 33.495 32.500 0.042 0.000 1.073 209 K HN 0.368 nan 8.250 nan 0.000 0.454 210 R N 0.865 121.390 120.500 0.041 0.000 2.073 210 R HA -0.145 4.195 4.340 -0.000 0.000 0.234 210 R C 1.778 178.098 176.300 0.033 0.000 1.134 210 R CA 1.808 57.931 56.100 0.039 0.000 0.952 210 R CB -0.517 29.802 30.300 0.032 0.000 0.850 210 R HN 0.628 nan 8.270 nan 0.000 0.433 211 S N 0.991 116.708 115.700 0.029 0.000 2.399 211 S HA -0.221 4.249 4.470 -0.000 0.000 0.235 211 S C 1.998 176.614 174.600 0.026 0.000 1.063 211 S CA 2.289 60.503 58.200 0.024 0.000 1.070 211 S CB -0.812 62.402 63.200 0.024 0.000 0.904 211 S HN 0.408 nan 8.310 nan 0.000 0.456 212 T N 1.918 116.494 114.554 0.036 0.000 2.812 212 T HA 0.031 4.381 4.350 -0.000 0.000 0.264 212 T C 1.986 176.708 174.700 0.037 0.000 1.042 212 T CA 1.168 63.291 62.100 0.040 0.000 1.140 212 T CB -0.493 68.409 68.868 0.056 0.000 0.870 212 T HN 0.295 nan 8.240 nan 0.000 0.445 213 V N 1.924 121.869 119.914 0.052 0.000 2.307 213 V HA -0.093 4.027 4.120 -0.000 0.000 0.245 213 V C 2.993 179.095 176.094 0.015 0.000 1.045 213 V CA 1.524 63.857 62.300 0.055 0.000 1.024 213 V CB -1.297 30.577 31.823 0.086 0.000 0.651 213 V HN 0.519 nan 8.190 nan 0.000 0.449 214 A N -0.497 122.332 122.820 0.015 0.000 1.940 214 A HA -0.300 4.020 4.320 -0.000 0.000 0.219 214 A C 2.161 179.738 177.584 -0.012 0.000 1.176 214 A CA 2.065 54.103 52.037 0.002 0.000 0.631 214 A CB -0.449 18.555 19.000 0.007 0.000 0.814 214 A HN 0.663 nan 8.150 nan 0.000 0.446 215 Q N -0.951 118.844 119.800 -0.009 0.000 2.331 215 Q HA 0.128 4.468 4.340 -0.000 0.000 0.203 215 Q C 1.987 177.965 176.000 -0.037 0.000 0.944 215 Q CA 0.369 56.160 55.803 -0.019 0.000 0.892 215 Q CB -0.101 28.634 28.738 -0.005 0.000 0.983 215 Q HN 0.603 nan 8.270 nan 0.000 0.482 216 L N 1.059 122.255 121.223 -0.044 0.000 2.027 216 L HA -0.121 4.219 4.340 -0.000 0.000 0.206 216 L C 2.355 179.158 176.870 -0.113 0.000 1.074 216 L CA 1.673 56.456 54.840 -0.094 0.000 0.745 216 L CB -0.539 41.435 42.059 -0.141 0.000 0.898 216 L HN 0.268 nan 8.230 nan 0.000 0.433 217 V N -2.001 117.861 119.914 -0.086 0.000 2.548 217 V HA -0.169 3.951 4.120 -0.000 0.000 0.249 217 V C 2.650 178.697 176.094 -0.080 0.000 1.055 217 V CA 1.378 63.628 62.300 -0.084 0.000 1.065 217 V CB -0.668 31.121 31.823 -0.056 0.000 0.681 217 V HN 0.297 nan 8.190 nan 0.000 0.462 218 K N 1.345 121.705 120.400 -0.066 0.000 2.032 218 K HA -0.236 4.084 4.320 -0.000 0.000 0.209 218 K C 2.392 178.938 176.600 -0.091 0.000 1.048 218 K CA 2.431 58.677 56.287 -0.068 0.000 0.927 218 K CB -0.657 31.808 32.500 -0.058 0.000 0.712 218 K HN 0.538 nan 8.250 nan 0.000 0.441 219 R N 0.814 121.253 120.500 -0.102 0.000 2.081 219 R HA 0.010 4.350 4.340 -0.000 0.000 0.235 219 R C 2.408 178.637 176.300 -0.118 0.000 1.131 219 R CA 1.334 57.352 56.100 -0.137 0.000 0.960 219 R CB -0.598 29.628 30.300 -0.122 0.000 0.856 219 R HN 0.252 nan 8.270 nan 0.000 0.436 220 L N -0.726 120.432 121.223 -0.109 0.000 2.056 220 L HA -0.139 4.201 4.340 -0.000 0.000 0.207 220 L C 2.214 179.006 176.870 -0.131 0.000 1.078 220 L CA 1.783 56.549 54.840 -0.123 0.000 0.749 220 L CB -0.694 41.276 42.059 -0.148 0.000 0.901 220 L HN 0.288 nan 8.230 nan 0.000 0.433 221 T N -0.572 113.915 114.554 -0.111 0.000 2.643 221 T HA -0.175 4.175 4.350 -0.000 0.000 0.264 221 T C 1.362 176.010 174.700 -0.086 0.000 1.045 221 T CA 1.623 63.666 62.100 -0.096 0.000 1.155 221 T CB -0.208 68.615 68.868 -0.075 0.000 0.863 221 T HN 0.320 nan 8.240 nan 0.000 0.420 222 D N 1.267 121.614 120.400 -0.088 0.000 2.309 222 D HA 0.011 4.651 4.640 -0.000 0.000 0.212 222 D C 1.647 177.900 176.300 -0.077 0.000 0.968 222 D CA 0.647 54.598 54.000 -0.082 0.000 0.882 222 D CB -0.194 40.547 40.800 -0.097 0.000 0.918 222 D HN 0.437 nan 8.370 nan 0.000 0.503 223 A N 0.216 122.987 122.820 -0.081 0.000 2.308 223 A HA 0.081 4.401 4.320 -0.000 0.000 0.217 223 A C 0.383 177.943 177.584 -0.041 0.000 1.216 223 A CA 0.115 52.122 52.037 -0.051 0.000 0.864 223 A CB 0.179 19.161 19.000 -0.029 0.000 0.902 223 A HN -0.004 nan 8.150 nan 0.000 0.499 224 D N -2.226 118.130 120.400 -0.072 0.000 2.705 224 D HA -0.182 4.458 4.640 -0.000 0.000 0.240 224 D C 0.605 176.824 176.300 -0.136 0.000 1.137 224 D CA 1.010 54.966 54.000 -0.073 0.000 0.677 224 D CB -1.203 39.587 40.800 -0.017 0.000 1.049 224 D HN 0.519 nan 8.370 nan 0.000 0.427 225 A N 0.154 122.783 122.820 -0.318 0.000 2.312 225 A HA 0.180 4.500 4.320 -0.000 0.000 0.215 225 A C 2.007 179.034 177.584 -0.929 0.000 1.256 225 A CA 0.173 51.700 52.037 -0.851 0.000 0.966 225 A CB 0.109 18.852 19.000 -0.429 0.000 1.053 225 A HN 0.291 nan 8.150 nan 0.000 0.510 226 M N 1.254 120.600 119.600 -0.424 0.000 2.213 226 M HA -0.144 4.336 4.480 -0.000 0.000 0.263 226 M C 1.977 178.142 176.300 -0.225 0.000 1.062 226 M CA 1.887 57.025 55.300 -0.271 0.000 1.105 226 M CB -0.911 31.599 32.600 -0.149 0.000 1.385 226 M HN 0.675 nan 8.290 nan 0.000 0.417 227 K N 0.592 120.858 120.400 -0.222 0.000 2.160 227 K HA -0.193 4.127 4.320 -0.000 0.000 0.206 227 K C 0.901 177.519 176.600 0.029 0.000 1.047 227 K CA 1.878 58.130 56.287 -0.057 0.000 0.930 227 K CB -0.845 31.661 32.500 0.011 0.000 0.720 227 K HN 0.514 nan 8.250 nan 0.000 0.450 228 Y N -0.718 119.601 120.300 0.032 0.000 2.720 228 Y HA 0.512 5.062 4.550 -0.000 0.000 0.268 228 Y C -0.605 175.323 175.900 0.046 0.000 1.142 228 Y CA -1.122 57.008 58.100 0.051 0.000 1.193 228 Y CB 0.030 38.457 38.460 -0.054 0.000 1.176 228 Y HN -0.214 nan 8.280 nan 0.000 0.542 229 T N 2.039 116.582 114.554 -0.018 0.000 2.893 229 T HA 0.640 4.990 4.350 -0.000 0.000 0.291 229 T C -0.452 174.271 174.700 0.039 0.000 1.028 229 T CA -0.497 61.614 62.100 0.018 0.000 0.995 229 T CB 1.863 70.674 68.868 -0.094 0.000 1.051 229 T HN 0.180 nan 8.240 nan 0.000 0.470 230 I N 1.454 122.062 120.570 0.065 0.000 2.750 230 I HA 0.696 4.866 4.170 -0.000 0.000 0.308 230 I C -0.814 175.338 176.117 0.058 0.000 1.016 230 I CA -1.141 60.194 61.300 0.059 0.000 1.098 230 I CB 2.053 40.099 38.000 0.076 0.000 1.279 230 I HN 0.203 nan 8.210 nan 0.000 0.454 231 V N 4.603 124.547 119.914 0.050 0.000 2.532 231 V HA 0.263 4.383 4.120 -0.000 0.000 0.294 231 V C -0.444 175.680 176.094 0.051 0.000 1.036 231 V CA -0.603 61.746 62.300 0.081 0.000 0.876 231 V CB 1.901 33.779 31.823 0.091 0.000 1.012 231 V HN 0.375 nan 8.190 nan 0.000 0.432 232 V N 3.402 123.333 119.914 0.028 0.000 2.439 232 V HA 0.558 4.678 4.120 -0.000 0.000 0.282 232 V C 0.378 176.476 176.094 0.007 0.000 1.039 232 V CA -0.127 62.174 62.300 0.002 0.000 0.913 232 V CB 1.699 33.507 31.823 -0.025 0.000 0.983 232 V HN 0.813 nan 8.190 nan 0.000 0.460 233 S N 3.158 118.867 115.700 0.016 0.000 2.519 233 S HA 0.765 5.235 4.470 -0.000 0.000 0.309 233 S C -0.091 174.521 174.600 0.019 0.000 1.100 233 S CA -0.367 57.848 58.200 0.025 0.000 1.059 233 S CB 1.494 64.719 63.200 0.042 0.000 1.008 233 S HN 1.039 nan 8.310 nan 0.000 0.478 234 A N 3.342 126.174 122.820 0.020 0.000 2.646 234 A HA 0.606 4.926 4.320 -0.000 0.000 0.312 234 A C 0.308 177.916 177.584 0.040 0.000 1.245 234 A CA -0.709 51.348 52.037 0.034 0.000 0.755 234 A CB 0.050 19.071 19.000 0.035 0.000 1.132 234 A HN 0.688 nan 8.150 nan 0.000 0.458 235 T N -1.466 113.115 114.554 0.045 0.000 2.849 235 T HA 0.591 4.941 4.350 -0.000 0.000 0.276 235 T C 1.586 176.315 174.700 0.049 0.000 0.971 235 T CA 0.059 62.187 62.100 0.047 0.000 0.949 235 T CB 1.086 69.981 68.868 0.046 0.000 1.093 235 T HN 1.228 nan 8.240 nan 0.000 0.545 236 A N 0.158 123.006 122.820 0.047 0.000 2.104 236 A HA -0.101 4.219 4.320 -0.000 0.000 0.223 236 A C 2.359 179.969 177.584 0.043 0.000 1.164 236 A CA 2.244 54.308 52.037 0.045 0.000 0.659 236 A CB -1.228 17.797 19.000 0.041 0.000 0.808 236 A HN 0.800 nan 8.150 nan 0.000 0.465 237 S N -0.981 114.744 115.700 0.042 0.000 2.539 237 S HA 0.110 4.580 4.470 -0.000 0.000 0.221 237 S C -0.077 174.550 174.600 0.044 0.000 0.987 237 S CA -0.477 57.747 58.200 0.039 0.000 0.929 237 S CB -0.195 63.025 63.200 0.033 0.000 0.832 237 S HN 0.513 nan 8.310 nan 0.000 0.492 238 D N 2.399 122.830 120.400 0.053 0.000 2.304 238 D HA 0.424 5.064 4.640 -0.000 0.000 0.247 238 D C 0.265 176.611 176.300 0.076 0.000 1.089 238 D CA 0.040 54.078 54.000 0.064 0.000 0.910 238 D CB 1.515 42.355 40.800 0.068 0.000 1.199 238 D HN 0.367 nan 8.370 nan 0.000 0.426 239 A N 1.442 124.311 122.820 0.083 0.000 2.561 239 A HA 0.241 4.561 4.320 -0.000 0.000 0.234 239 A C 1.482 179.139 177.584 0.121 0.000 1.055 239 A CA 0.533 52.622 52.037 0.086 0.000 0.756 239 A CB 0.163 19.212 19.000 0.081 0.000 0.986 239 A HN 0.664 nan 8.150 nan 0.000 0.505 240 A N 3.597 126.482 122.820 0.110 0.000 1.903 240 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 240 A C -0.033 177.693 177.584 0.237 0.000 1.191 240 A CA 2.238 54.363 52.037 0.146 0.000 0.638 240 A CB -1.805 17.258 19.000 0.106 0.000 0.823 240 A HN 0.667 nan 8.150 nan 0.000 0.451 241 P HA -0.141 nan 4.420 nan 0.000 0.217 241 P C 1.333 178.927 177.300 0.489 0.000 1.148 241 P CA 0.997 64.333 63.100 0.392 0.000 0.828 241 P CB -0.157 31.657 31.700 0.190 0.000 0.783 242 L N -1.159 120.271 121.223 0.345 0.000 2.131 242 L HA -0.119 4.221 4.340 -0.000 0.000 0.206 242 L C 2.662 179.629 176.870 0.161 0.000 1.087 242 L CA 1.333 56.320 54.840 0.244 0.000 0.767 242 L CB -1.042 41.120 42.059 0.173 0.000 0.917 242 L HN -0.051 nan 8.230 nan 0.000 0.441 243 Q N -0.868 119.036 119.800 0.173 0.000 2.124 243 Q HA -0.247 4.093 4.340 -0.000 0.000 0.202 243 Q C 2.134 178.230 176.000 0.159 0.000 0.977 243 Q CA 1.831 57.715 55.803 0.134 0.000 0.850 243 Q CB -0.365 28.453 28.738 0.132 0.000 0.901 243 Q HN 0.486 nan 8.270 nan 0.000 0.429 244 Y N 1.433 121.820 120.300 0.146 0.000 2.114 244 Y HA -0.254 4.296 4.550 -0.000 0.000 0.284 244 Y C 1.953 177.968 175.900 0.192 0.000 1.143 244 Y CA 1.265 59.468 58.100 0.173 0.000 1.135 244 Y CB -0.594 38.010 38.460 0.240 0.000 0.980 244 Y HN 0.073 nan 8.280 nan 0.000 0.499 245 L N 1.061 122.146 121.223 -0.231 0.000 2.017 245 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 245 L C 2.655 179.446 176.870 -0.132 0.000 1.073 245 L CA 2.128 56.819 54.840 -0.248 0.000 0.745 245 L CB -1.587 40.410 42.059 -0.104 0.000 0.894 245 L HN 0.377 nan 8.230 nan 0.000 0.432 246 A N 0.487 123.253 122.820 -0.091 0.000 1.916 246 A HA -0.301 4.019 4.320 -0.000 0.000 0.224 246 A C 0.027 177.547 177.584 -0.107 0.000 1.366 246 A CA 2.881 54.870 52.037 -0.080 0.000 0.692 246 A CB -2.593 16.380 19.000 -0.045 0.000 0.841 246 A HN 0.510 nan 8.150 nan 0.000 0.480 247 P HA -0.143 nan 4.420 nan 0.000 0.218 247 P C 1.000 178.165 177.300 -0.225 0.000 1.149 247 P CA 1.456 64.444 63.100 -0.187 0.000 0.817 247 P CB -0.295 31.108 31.700 -0.495 0.000 0.785 248 Y N 0.372 120.611 120.300 -0.102 0.000 2.200 248 Y HA -0.088 4.462 4.550 -0.000 0.000 0.290 248 Y C 2.845 178.708 175.900 -0.061 0.000 1.137 248 Y CA 1.232 59.267 58.100 -0.108 0.000 1.163 248 Y CB -1.430 36.910 38.460 -0.201 0.000 0.988 248 Y HN -0.071 nan 8.280 nan 0.000 0.518 249 S N -0.073 115.656 115.700 0.050 0.000 2.354 249 S HA -0.201 4.269 4.470 -0.000 0.000 0.219 249 S C 2.491 177.099 174.600 0.013 0.000 1.035 249 S CA 1.439 59.641 58.200 0.002 0.000 1.037 249 S CB -1.204 61.970 63.200 -0.043 0.000 0.956 249 S HN 0.639 nan 8.310 nan 0.000 0.428 250 G N 0.284 109.087 108.800 0.004 0.000 2.505 250 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.220 250 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.220 250 G C 1.780 176.699 174.900 0.032 0.000 1.145 250 G CA 1.263 46.362 45.100 -0.002 0.000 0.761 250 G HN 0.600 nan 8.290 nan 0.000 0.571 251 C N 0.348 119.702 119.300 0.090 0.000 2.413 251 C HA -0.044 4.416 4.460 -0.000 0.000 0.276 251 C C 3.259 178.305 174.990 0.094 0.000 1.236 251 C CA 1.786 60.878 59.018 0.123 0.000 1.735 251 C CB -1.057 26.792 27.740 0.182 0.000 2.031 251 C HN 0.367 nan 8.230 nan 0.000 0.474 252 S N 0.444 116.188 115.700 0.074 0.000 2.383 252 S HA -0.195 4.275 4.470 -0.000 0.000 0.229 252 S C 1.749 176.381 174.600 0.054 0.000 1.030 252 S CA 2.171 60.403 58.200 0.054 0.000 1.002 252 S CB -0.358 62.859 63.200 0.028 0.000 0.829 252 S HN 0.681 nan 8.310 nan 0.000 0.467 253 M N 0.572 120.201 119.600 0.048 0.000 2.117 253 M HA -0.044 4.436 4.480 -0.000 0.000 0.262 253 M C 2.505 178.917 176.300 0.186 0.000 1.065 253 M CA 1.559 56.892 55.300 0.054 0.000 1.114 253 M CB -0.944 31.689 32.600 0.054 0.000 1.361 253 M HN 0.428 nan 8.290 nan 0.000 0.408 254 G N 0.068 108.985 108.800 0.195 0.000 2.432 254 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.219 254 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.219 254 G C 1.369 176.434 174.900 0.275 0.000 1.135 254 G CA 0.634 45.908 45.100 0.289 0.000 0.767 254 G HN 0.499 nan 8.290 nan 0.000 0.550 255 E N -0.725 119.571 120.200 0.160 0.000 2.150 255 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 255 E C 1.914 178.560 176.600 0.076 0.000 0.985 255 E CA 0.671 57.135 56.400 0.107 0.000 0.814 255 E CB -0.213 29.529 29.700 0.070 0.000 0.752 255 E HN 0.635 nan 8.360 nan 0.000 0.466 256 Y N 0.714 120.942 120.300 -0.119 0.000 2.097 256 Y HA -0.311 4.239 4.550 -0.000 0.000 0.282 256 Y C 1.708 177.438 175.900 -0.284 0.000 1.152 256 Y CA 1.777 59.710 58.100 -0.278 0.000 1.136 256 Y CB -0.575 37.601 38.460 -0.473 0.000 0.975 256 Y HN -0.063 nan 8.280 nan 0.000 0.498 257 F N 0.566 120.570 119.950 0.091 0.000 2.095 257 F HA -0.195 4.332 4.527 -0.000 0.000 0.298 257 F C 2.845 178.573 175.800 -0.121 0.000 1.104 257 F CA 2.055 60.005 58.000 -0.082 0.000 1.232 257 F CB -1.006 38.021 39.000 0.045 0.000 0.987 257 F HN -0.031 nan 8.300 nan 0.000 0.475 258 R N 0.604 121.182 120.500 0.130 0.000 2.096 258 R HA -0.201 4.139 4.340 -0.000 0.000 0.240 258 R C 1.649 177.935 176.300 -0.023 0.000 1.139 258 R CA 2.156 58.288 56.100 0.054 0.000 0.952 258 R CB -0.521 29.822 30.300 0.071 0.000 0.854 258 R HN 0.174 nan 8.270 nan 0.000 0.436 259 D N 0.140 120.504 120.400 -0.060 0.000 2.310 259 D HA -0.075 4.565 4.640 -0.000 0.000 0.212 259 D C -0.017 176.194 176.300 -0.148 0.000 0.965 259 D CA 0.992 54.943 54.000 -0.082 0.000 0.879 259 D CB -0.132 40.622 40.800 -0.076 0.000 0.921 259 D HN 0.370 nan 8.370 nan 0.000 0.510 260 N N -0.687 117.865 118.700 -0.246 0.000 2.761 260 N HA 0.335 5.075 4.740 -0.000 0.000 0.317 260 N C 0.772 176.178 175.510 -0.173 0.000 1.546 260 N CA 0.002 52.900 53.050 -0.254 0.000 1.015 260 N CB 1.178 39.402 38.487 -0.438 0.000 1.343 260 N HN -0.048 nan 8.380 nan 0.000 0.504 261 G N 0.285 109.007 108.800 -0.131 0.000 2.200 261 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.268 261 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.268 261 G C 0.338 175.103 174.900 -0.225 0.000 0.986 261 G CA 0.816 45.831 45.100 -0.143 0.000 0.677 261 G HN 0.381 nan 8.290 nan 0.000 0.532 262 K N -0.655 119.634 120.400 -0.185 0.000 2.419 262 K HA 0.598 4.918 4.320 -0.000 0.000 0.246 262 K C -0.423 176.025 176.600 -0.253 0.000 1.037 262 K CA -0.847 55.372 56.287 -0.113 0.000 0.982 262 K CB 0.711 33.312 32.500 0.167 0.000 1.283 262 K HN 0.266 nan 8.250 nan 0.000 0.500 263 H N -0.379 118.806 119.070 0.191 0.000 2.823 263 H HA 0.411 4.967 4.556 -0.000 0.000 0.332 263 H C -1.005 174.375 175.328 0.087 0.000 0.980 263 H CA -0.570 55.537 56.048 0.099 0.000 1.286 263 H CB 1.702 31.465 29.762 0.003 0.000 1.541 263 H HN 0.691 nan 8.280 nan 0.000 0.521 264 A N 2.931 125.865 122.820 0.189 0.000 2.322 264 A HA 0.648 4.968 4.320 -0.000 0.000 0.327 264 A C -1.101 176.507 177.584 0.040 0.000 1.134 264 A CA -0.705 51.379 52.037 0.077 0.000 0.831 264 A CB 1.662 20.733 19.000 0.118 0.000 1.288 264 A HN 0.446 nan 8.150 nan 0.000 0.472 265 L N 1.134 122.355 121.223 -0.003 0.000 2.376 265 L HA 0.725 5.065 4.340 -0.000 0.000 0.275 265 L C -1.059 175.775 176.870 -0.059 0.000 0.987 265 L CA -0.297 54.526 54.840 -0.028 0.000 0.828 265 L CB 1.242 43.282 42.059 -0.033 0.000 1.249 265 L HN 0.673 nan 8.230 nan 0.000 0.409 266 I N 5.449 125.943 120.570 -0.126 0.000 2.474 266 I HA 0.541 4.711 4.170 -0.000 0.000 0.294 266 I C -1.125 174.752 176.117 -0.401 0.000 1.005 266 I CA -0.537 60.584 61.300 -0.298 0.000 1.113 266 I CB 1.424 39.164 38.000 -0.433 0.000 1.289 266 I HN 0.608 nan 8.210 nan 0.000 0.436 267 I N 7.884 128.201 120.570 -0.421 0.000 2.411 267 I HA 0.237 4.407 4.170 -0.000 0.000 0.284 267 I C -1.322 174.486 176.117 -0.515 0.000 1.012 267 I CA -0.471 60.625 61.300 -0.339 0.000 1.119 267 I CB 1.046 39.008 38.000 -0.062 0.000 1.261 267 I HN 0.422 nan 8.210 nan 0.000 0.448 268 Y N 4.452 124.618 120.300 -0.224 0.000 2.454 268 Y HA 0.314 4.864 4.550 -0.000 0.000 0.345 268 Y C 0.130 175.871 175.900 -0.265 0.000 0.970 268 Y CA -0.662 57.274 58.100 -0.273 0.000 1.204 268 Y CB 0.409 38.714 38.460 -0.258 0.000 1.122 268 Y HN 0.389 nan 8.280 nan 0.000 0.514 269 D N 3.689 123.960 120.400 -0.215 0.000 2.462 269 D HA 0.241 4.881 4.640 -0.000 0.000 0.245 269 D C -1.261 174.980 176.300 -0.098 0.000 1.122 269 D CA -0.407 53.501 54.000 -0.153 0.000 0.864 269 D CB 0.845 41.505 40.800 -0.234 0.000 1.098 269 D HN 0.600 nan 8.370 nan 0.000 0.541 270 D N 2.067 122.439 120.400 -0.048 0.000 2.374 270 D HA 0.310 4.950 4.640 -0.000 0.000 0.239 270 D C 1.327 177.585 176.300 -0.070 0.000 0.991 270 D CA -0.692 53.280 54.000 -0.047 0.000 0.960 270 D CB 2.025 42.813 40.800 -0.020 0.000 1.284 270 D HN 0.147 nan 8.370 nan 0.000 0.512 271 L N 0.283 121.429 121.223 -0.129 0.000 2.418 271 L HA -0.006 4.334 4.340 -0.000 0.000 0.218 271 L C 1.890 178.731 176.870 -0.047 0.000 1.125 271 L CA 0.373 55.079 54.840 -0.224 0.000 0.835 271 L CB -0.141 41.567 42.059 -0.585 0.000 0.953 271 L HN 0.355 nan 8.230 nan 0.000 0.454 272 S N 0.549 116.240 115.700 -0.016 0.000 2.351 272 S HA -0.197 4.273 4.470 -0.000 0.000 0.220 272 S C 1.902 176.560 174.600 0.096 0.000 1.035 272 S CA 1.503 59.731 58.200 0.047 0.000 1.031 272 S CB -0.071 63.151 63.200 0.038 0.000 0.928 272 S HN 0.400 nan 8.310 nan 0.000 0.433 273 K N 0.992 121.436 120.400 0.073 0.000 2.211 273 K HA -0.076 4.244 4.320 -0.000 0.000 0.203 273 K C 2.362 179.034 176.600 0.121 0.000 1.050 273 K CA 0.723 57.066 56.287 0.094 0.000 0.945 273 K CB -0.148 32.393 32.500 0.067 0.000 0.732 273 K HN 0.416 nan 8.250 nan 0.000 0.451 274 Q N 1.169 121.034 119.800 0.109 0.000 2.079 274 Q HA -0.133 4.207 4.340 -0.000 0.000 0.200 274 Q C 2.118 178.264 176.000 0.243 0.000 0.974 274 Q CA 1.368 57.263 55.803 0.153 0.000 0.840 274 Q CB -0.089 28.702 28.738 0.089 0.000 0.898 274 Q HN 0.303 nan 8.270 nan 0.000 0.430 275 A N 0.813 123.780 122.820 0.246 0.000 1.908 275 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 275 A C 2.184 179.999 177.584 0.386 0.000 1.181 275 A CA 2.077 54.264 52.037 0.250 0.000 0.627 275 A CB -1.106 17.954 19.000 0.100 0.000 0.818 275 A HN 0.466 nan 8.150 nan 0.000 0.445 276 V N -2.766 117.339 119.914 0.318 0.000 2.667 276 V HA 0.064 4.184 4.120 -0.000 0.000 0.252 276 V C 2.429 178.623 176.094 0.167 0.000 1.065 276 V CA 1.683 64.130 62.300 0.245 0.000 1.083 276 V CB -1.255 30.664 31.823 0.160 0.000 0.692 276 V HN 0.523 nan 8.190 nan 0.000 0.468 277 A N -0.291 122.644 122.820 0.190 0.000 1.873 277 A HA -0.162 4.158 4.320 -0.000 0.000 0.215 277 A C 2.200 179.899 177.584 0.191 0.000 1.186 277 A CA 1.916 54.059 52.037 0.177 0.000 0.616 277 A CB -1.008 18.122 19.000 0.216 0.000 0.823 277 A HN 0.729 nan 8.150 nan 0.000 0.442 278 Y N 0.702 121.054 120.300 0.088 0.000 2.224 278 Y HA -0.172 4.378 4.550 -0.000 0.000 0.289 278 Y C 2.451 178.337 175.900 -0.024 0.000 1.146 278 Y CA 1.811 59.891 58.100 -0.033 0.000 1.182 278 Y CB -0.412 38.039 38.460 -0.015 0.000 0.983 278 Y HN 0.383 nan 8.280 nan 0.000 0.524 279 R N 0.283 120.780 120.500 -0.006 0.000 2.092 279 R HA -0.203 4.137 4.340 -0.000 0.000 0.231 279 R C 2.402 178.608 176.300 -0.156 0.000 1.119 279 R CA 1.673 57.696 56.100 -0.129 0.000 0.970 279 R CB -0.458 29.789 30.300 -0.088 0.000 0.864 279 R HN 0.548 nan 8.270 nan 0.000 0.440 280 Q N 0.449 120.204 119.800 -0.075 0.000 2.096 280 Q HA -0.210 4.130 4.340 -0.000 0.000 0.204 280 Q C 2.049 177.988 176.000 -0.103 0.000 0.982 280 Q CA 2.106 57.866 55.803 -0.071 0.000 0.850 280 Q CB -0.079 28.648 28.738 -0.019 0.000 0.901 280 Q HN 0.440 nan 8.270 nan 0.000 0.422 281 M N 0.004 119.532 119.600 -0.120 0.000 2.065 281 M HA -0.178 4.302 4.480 -0.000 0.000 0.259 281 M C 2.378 178.549 176.300 -0.216 0.000 1.069 281 M CA 1.876 57.086 55.300 -0.150 0.000 1.110 281 M CB -0.158 32.356 32.600 -0.144 0.000 1.328 281 M HN 0.137 nan 8.290 nan 0.000 0.405 282 S N 0.891 116.371 115.700 -0.367 0.000 2.370 282 S HA -0.098 4.372 4.470 -0.000 0.000 0.226 282 S C 1.899 176.384 174.600 -0.192 0.000 1.033 282 S CA 1.220 59.219 58.200 -0.336 0.000 1.011 282 S CB -0.589 62.323 63.200 -0.480 0.000 0.852 282 S HN 0.395 nan 8.310 nan 0.000 0.457 283 L N 0.876 122.001 121.223 -0.163 0.000 2.093 283 L HA -0.027 4.313 4.340 -0.000 0.000 0.208 283 L C 2.197 179.013 176.870 -0.090 0.000 1.085 283 L CA 0.940 55.712 54.840 -0.112 0.000 0.755 283 L CB -0.632 41.365 42.059 -0.103 0.000 0.904 283 L HN 0.288 nan 8.230 nan 0.000 0.435 284 L N -0.500 120.668 121.223 -0.092 0.000 2.201 284 L HA -0.177 4.163 4.340 -0.000 0.000 0.212 284 L C 2.267 179.096 176.870 -0.067 0.000 1.105 284 L CA 0.890 55.688 54.840 -0.070 0.000 0.775 284 L CB -0.266 41.756 42.059 -0.063 0.000 0.913 284 L HN 0.274 nan 8.230 nan 0.000 0.440 285 L N -0.751 120.423 121.223 -0.083 0.000 2.552 285 L HA 0.028 4.368 4.340 -0.000 0.000 0.227 285 L C 0.890 177.727 176.870 -0.055 0.000 1.146 285 L CA 0.381 55.181 54.840 -0.066 0.000 0.858 285 L CB -0.063 41.950 42.059 -0.075 0.000 0.969 285 L HN 0.239 nan 8.230 nan 0.000 0.451 286 R N -0.477 119.986 120.500 -0.060 0.000 3.762 286 R HA -0.128 4.212 4.340 -0.000 0.000 0.328 286 R C -0.071 176.201 176.300 -0.047 0.000 1.164 286 R CA 0.213 56.284 56.100 -0.049 0.000 0.861 286 R CB -1.637 28.642 30.300 -0.035 0.000 1.408 286 R HN 0.318 nan 8.270 nan 0.000 0.502 287 R N 1.884 122.347 120.500 -0.061 0.000 2.438 287 R HA 0.178 4.518 4.340 -0.000 0.000 0.287 287 R C -1.974 174.302 176.300 -0.041 0.000 1.077 287 R CA -1.544 54.527 56.100 -0.048 0.000 1.034 287 R CB 0.294 30.557 30.300 -0.060 0.000 0.993 287 R HN -0.092 nan 8.270 nan 0.000 0.459 288 P HA -0.063 nan 4.420 nan 0.000 0.255 288 P C -2.362 174.931 177.300 -0.011 0.000 1.161 288 P CA -0.594 62.497 63.100 -0.015 0.000 0.768 288 P CB -0.207 31.491 31.700 -0.003 0.000 0.746 289 P HA 0.207 nan 4.420 nan 0.000 0.276 289 P C 0.390 177.696 177.300 0.009 0.000 1.230 289 P CA 0.219 63.310 63.100 -0.014 0.000 0.776 289 P CB 1.240 32.917 31.700 -0.038 0.000 0.888 290 G N 2.376 111.205 108.800 0.047 0.000 3.286 290 G HA2 0.325 4.285 3.960 -0.000 0.000 0.166 290 G HA3 0.325 4.285 3.960 -0.000 0.000 0.166 290 G C -0.506 174.407 174.900 0.022 0.000 1.155 290 G CA -0.844 44.275 45.100 0.033 0.000 0.871 290 G HN 0.544 nan 8.290 nan 0.000 0.637 291 R N 0.700 121.163 120.500 -0.062 0.000 2.523 291 R HA 0.032 4.372 4.340 -0.000 0.000 0.281 291 R C 0.117 176.489 176.300 0.121 0.000 0.969 291 R CA 1.116 57.135 56.100 -0.136 0.000 1.093 291 R CB -0.286 29.631 30.300 -0.637 0.000 0.917 291 R HN 0.680 nan 8.270 nan 0.000 0.408 292 E N 2.581 122.852 120.200 0.120 0.000 2.660 292 E HA -0.346 4.004 4.350 -0.000 0.000 0.260 292 E C 0.365 176.968 176.600 0.005 0.000 1.122 292 E CA 0.514 57.009 56.400 0.158 0.000 0.755 292 E CB -1.165 28.763 29.700 0.380 0.000 1.345 292 E HN 0.880 nan 8.360 nan 0.000 0.421 293 A N -2.359 120.455 122.820 -0.009 0.000 3.413 293 A HA -0.308 4.012 4.320 -0.000 0.000 0.268 293 A C 0.057 177.574 177.584 -0.112 0.000 1.128 293 A CA 1.787 53.771 52.037 -0.088 0.000 1.062 293 A CB -1.965 16.946 19.000 -0.148 0.000 1.121 293 A HN 0.429 nan 8.150 nan 0.000 0.895 294 Y N 0.897 121.269 120.300 0.120 0.000 2.346 294 Y HA 0.431 4.981 4.550 -0.000 0.000 0.330 294 Y C -1.358 174.609 175.900 0.112 0.000 1.178 294 Y CA -1.230 56.947 58.100 0.129 0.000 1.331 294 Y CB 0.370 38.962 38.460 0.219 0.000 1.253 294 Y HN 0.239 nan 8.280 nan 0.000 0.529 295 P HA -0.007 nan 4.420 nan 0.000 0.269 295 P C 0.668 178.088 177.300 0.201 0.000 1.215 295 P CA 0.176 63.341 63.100 0.108 0.000 0.780 295 P CB 0.903 32.580 31.700 -0.038 0.000 0.898 296 G N 2.126 111.022 108.800 0.160 0.000 2.499 296 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.221 296 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.221 296 G C 0.722 175.752 174.900 0.217 0.000 1.109 296 G CA 0.731 45.939 45.100 0.179 0.000 0.749 296 G HN 0.640 nan 8.290 nan 0.000 0.568 297 D N 0.734 121.276 120.400 0.237 0.000 2.368 297 D HA -0.003 4.637 4.640 -0.000 0.000 0.218 297 D C 2.173 178.646 176.300 0.287 0.000 1.112 297 D CA 0.427 54.603 54.000 0.293 0.000 0.834 297 D CB -0.366 40.626 40.800 0.320 0.000 0.953 297 D HN 0.318 nan 8.370 nan 0.000 0.505 298 V N -1.928 118.121 119.914 0.226 0.000 2.867 298 V HA -0.134 3.986 4.120 -0.000 0.000 0.260 298 V C 2.160 178.177 176.094 -0.129 0.000 1.099 298 V CA 0.943 63.258 62.300 0.025 0.000 1.122 298 V CB -1.527 30.216 31.823 -0.132 0.000 0.708 298 V HN 0.159 nan 8.190 nan 0.000 0.490 299 F N 0.875 120.771 119.950 -0.089 0.000 2.206 299 F HA -0.057 4.470 4.527 -0.000 0.000 0.298 299 F C 2.228 178.043 175.800 0.026 0.000 1.090 299 F CA 1.504 59.460 58.000 -0.074 0.000 1.323 299 F CB -0.442 38.563 39.000 0.007 0.000 1.028 299 F HN 0.179 nan 8.300 nan 0.000 0.492 300 Y N 0.739 121.001 120.300 -0.063 0.000 2.314 300 Y HA -0.103 4.447 4.550 -0.000 0.000 0.293 300 Y C 2.074 177.857 175.900 -0.194 0.000 1.129 300 Y CA 1.322 59.319 58.100 -0.171 0.000 1.201 300 Y CB -0.758 37.723 38.460 0.035 0.000 0.999 300 Y HN 0.219 nan 8.280 nan 0.000 0.541 301 L N -0.069 120.988 121.223 -0.277 0.000 2.089 301 L HA -0.291 4.049 4.340 -0.000 0.000 0.213 301 L C 2.056 178.813 176.870 -0.189 0.000 1.079 301 L CA 2.382 57.018 54.840 -0.339 0.000 0.758 301 L CB -0.741 41.043 42.059 -0.458 0.000 0.891 301 L HN 0.405 nan 8.230 nan 0.000 0.433 302 H N -2.234 116.648 119.070 -0.313 0.000 2.418 302 H HA 0.016 4.572 4.556 -0.000 0.000 0.300 302 H C 2.317 177.404 175.328 -0.401 0.000 1.041 302 H CA 0.706 56.541 56.048 -0.356 0.000 1.364 302 H CB 0.069 29.637 29.762 -0.323 0.000 1.439 302 H HN 0.472 nan 8.280 nan 0.000 0.540 303 S N 1.957 117.392 115.700 -0.442 0.000 2.368 303 S HA -0.245 4.225 4.470 -0.000 0.000 0.225 303 S C 2.106 176.597 174.600 -0.183 0.000 1.030 303 S CA 1.256 59.224 58.200 -0.386 0.000 0.999 303 S CB -0.367 62.492 63.200 -0.569 0.000 0.844 303 S HN 0.504 nan 8.310 nan 0.000 0.459 304 R N 1.223 121.593 120.500 -0.217 0.000 2.080 304 R HA -0.059 4.281 4.340 -0.000 0.000 0.236 304 R C 2.322 178.574 176.300 -0.079 0.000 1.137 304 R CA 1.477 57.477 56.100 -0.167 0.000 0.943 304 R CB -1.123 28.916 30.300 -0.435 0.000 0.846 304 R HN 0.400 nan 8.270 nan 0.000 0.431 305 L N 1.615 122.802 121.223 -0.059 0.000 1.956 305 L HA -0.132 4.208 4.340 -0.000 0.000 0.216 305 L C 2.291 179.085 176.870 -0.127 0.000 1.073 305 L CA 1.765 56.551 54.840 -0.091 0.000 0.762 305 L CB -0.553 41.289 42.059 -0.362 0.000 0.889 305 L HN 0.273 nan 8.230 nan 0.000 0.433 306 L N -0.396 120.724 121.223 -0.171 0.000 2.549 306 L HA -0.089 4.251 4.340 -0.000 0.000 0.229 306 L C 2.331 179.178 176.870 -0.039 0.000 1.158 306 L CA 0.407 55.186 54.840 -0.100 0.000 0.842 306 L CB -0.626 41.356 42.059 -0.129 0.000 0.952 306 L HN 0.377 nan 8.230 nan 0.000 0.452 307 E N 0.429 120.609 120.200 -0.034 0.000 2.285 307 E HA -0.107 4.243 4.350 -0.000 0.000 0.194 307 E C 2.104 178.708 176.600 0.007 0.000 0.997 307 E CA 0.544 56.940 56.400 -0.007 0.000 0.845 307 E CB 0.139 29.841 29.700 0.002 0.000 0.782 307 E HN 0.514 nan 8.360 nan 0.000 0.491 308 R N 0.726 121.235 120.500 0.015 0.000 2.235 308 R HA 0.052 4.392 4.340 -0.000 0.000 0.213 308 R C 1.060 177.386 176.300 0.044 0.000 1.059 308 R CA 0.434 56.553 56.100 0.032 0.000 0.997 308 R CB -0.063 30.267 30.300 0.050 0.000 0.884 308 R HN -0.066 nan 8.270 nan 0.000 0.462 309 A N 1.163 124.012 122.820 0.048 0.000 2.407 309 A HA 0.600 4.920 4.320 -0.000 0.000 0.248 309 A C -0.057 177.547 177.584 0.033 0.000 1.082 309 A CA 0.247 52.315 52.037 0.052 0.000 0.785 309 A CB 0.450 19.483 19.000 0.055 0.000 1.020 309 A HN 0.320 nan 8.150 nan 0.000 0.489 310 A N 1.360 124.200 122.820 0.034 0.000 2.569 310 A HA 0.606 4.926 4.320 -0.000 0.000 0.292 310 A C -1.046 176.559 177.584 0.034 0.000 1.032 310 A CA -0.635 51.415 52.037 0.021 0.000 0.669 310 A CB 0.795 19.797 19.000 0.005 0.000 1.290 310 A HN 1.115 nan 8.150 nan 0.000 0.422 311 K N 2.220 122.636 120.400 0.027 0.000 2.389 311 K HA 0.614 4.934 4.320 -0.000 0.000 0.261 311 K C -0.339 176.281 176.600 0.033 0.000 1.014 311 K CA -0.431 55.883 56.287 0.046 0.000 0.920 311 K CB 0.281 32.804 32.500 0.039 0.000 1.149 311 K HN 0.641 nan 8.250 nan 0.000 0.444 312 M N 2.450 122.077 119.600 0.046 0.000 2.202 312 M HA 0.203 4.683 4.480 -0.000 0.000 0.316 312 M C 0.459 176.810 176.300 0.084 0.000 1.138 312 M CA -0.427 54.897 55.300 0.041 0.000 1.151 312 M CB 0.078 32.719 32.600 0.068 0.000 1.422 312 M HN 0.717 nan 8.290 nan 0.000 0.471 313 N N 0.164 118.940 118.700 0.125 0.000 2.491 313 N HA 0.214 4.954 4.740 -0.000 0.000 0.279 313 N C 0.033 175.636 175.510 0.156 0.000 1.236 313 N CA -0.528 52.603 53.050 0.135 0.000 0.982 313 N CB 0.368 38.940 38.487 0.141 0.000 1.194 313 N HN 0.374 nan 8.380 nan 0.000 0.582 314 D N -0.222 120.240 120.400 0.104 0.000 2.116 314 D HA -0.177 4.463 4.640 -0.000 0.000 0.193 314 D C 1.676 177.998 176.300 0.037 0.000 0.998 314 D CA 2.174 56.211 54.000 0.063 0.000 0.836 314 D CB -0.847 39.976 40.800 0.038 0.000 0.951 314 D HN 0.719 nan 8.370 nan 0.000 0.449 315 A N -0.540 122.301 122.820 0.036 0.000 2.186 315 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 315 A C 1.198 178.553 177.584 -0.382 0.000 1.159 315 A CA 0.919 52.871 52.037 -0.142 0.000 0.680 315 A CB -0.592 18.325 19.000 -0.137 0.000 0.787 315 A HN 0.209 nan 8.150 nan 0.000 0.467 316 F N -2.185 117.757 119.950 -0.012 0.000 2.724 316 F HA 0.439 4.966 4.527 -0.000 0.000 0.310 316 F C 1.590 177.371 175.800 -0.032 0.000 1.107 316 F CA 0.366 58.354 58.000 -0.020 0.000 1.218 316 F CB 0.775 39.766 39.000 -0.014 0.000 1.042 316 F HN 0.281 nan 8.300 nan 0.000 0.540 317 G N -0.481 108.360 108.800 0.068 0.000 2.278 317 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.210 317 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.210 317 G C 1.341 176.249 174.900 0.014 0.000 1.000 317 G CA -0.065 45.044 45.100 0.015 0.000 0.635 317 G HN 0.999 nan 8.290 nan 0.000 0.495 318 G N -0.189 108.647 108.800 0.061 0.000 2.189 318 G HA2 0.112 4.072 3.960 -0.000 0.000 0.267 318 G HA3 0.112 4.072 3.960 -0.000 0.000 0.267 318 G C 1.739 176.668 174.900 0.049 0.000 0.975 318 G CA 1.261 46.403 45.100 0.069 0.000 0.644 318 G HN 2.148 nan 8.290 nan 0.000 0.537 319 G N -0.389 108.383 108.800 -0.046 0.000 2.647 319 G HA2 0.617 4.577 3.960 -0.000 0.000 0.271 319 G HA3 0.617 4.577 3.960 -0.000 0.000 0.271 319 G C 0.389 175.315 174.900 0.042 0.000 1.300 319 G CA 1.324 46.317 45.100 -0.178 0.000 0.997 319 G HN 2.035 nan 8.290 nan 0.000 0.533 320 S N -2.129 113.644 115.700 0.122 0.000 2.595 320 S HA 0.516 4.986 4.470 -0.000 0.000 0.270 320 S C -1.778 172.924 174.600 0.171 0.000 1.145 320 S CA -0.805 57.516 58.200 0.202 0.000 0.825 320 S CB 1.668 65.047 63.200 0.299 0.000 1.107 320 S HN 1.286 nan 8.310 nan 0.000 0.461 321 L N 1.562 122.852 121.223 0.112 0.000 2.409 321 L HA 0.790 5.130 4.340 -0.000 0.000 0.272 321 L C -0.841 176.062 176.870 0.054 0.000 0.980 321 L CA 0.219 55.114 54.840 0.091 0.000 0.826 321 L CB 1.936 44.049 42.059 0.089 0.000 1.268 321 L HN 0.942 nan 8.230 nan 0.000 0.407 322 T N 4.506 119.077 114.554 0.029 0.000 2.770 322 T HA 0.824 5.174 4.350 -0.000 0.000 0.283 322 T C -0.393 174.301 174.700 -0.009 0.000 0.988 322 T CA -0.293 61.808 62.100 0.002 0.000 0.957 322 T CB 1.306 70.160 68.868 -0.023 0.000 0.930 322 T HN 0.789 nan 8.240 nan 0.000 0.443 323 A N 3.770 126.596 122.820 0.010 0.000 2.318 323 A HA 0.753 5.073 4.320 -0.000 0.000 0.324 323 A C -0.357 177.233 177.584 0.010 0.000 1.170 323 A CA -0.680 51.368 52.037 0.019 0.000 0.810 323 A CB 0.483 19.573 19.000 0.151 0.000 1.198 323 A HN 0.883 nan 8.150 nan 0.000 0.484 324 L N 4.973 126.184 121.223 -0.020 0.000 2.506 324 L HA 0.314 4.654 4.340 -0.000 0.000 0.247 324 L C -2.264 174.611 176.870 0.008 0.000 1.141 324 L CA -1.738 53.094 54.840 -0.013 0.000 0.973 324 L CB 1.413 43.460 42.059 -0.021 0.000 1.319 324 L HN 0.508 nan 8.230 nan 0.000 0.455 325 P HA 0.175 nan 4.420 nan 0.000 0.278 325 P C -0.535 176.747 177.300 -0.030 0.000 1.238 325 P CA -0.170 62.966 63.100 0.061 0.000 0.794 325 P CB 2.053 33.733 31.700 -0.034 0.000 0.955 326 V N 3.993 123.881 119.914 -0.043 0.000 2.581 326 V HA 0.441 4.561 4.120 -0.000 0.000 0.303 326 V C 0.311 176.363 176.094 -0.071 0.000 1.041 326 V CA -0.631 61.639 62.300 -0.049 0.000 0.907 326 V CB 1.786 33.595 31.823 -0.023 0.000 0.994 326 V HN 0.425 nan 8.190 nan 0.000 0.442 327 I N 3.047 123.581 120.570 -0.061 0.000 2.499 327 I HA 0.399 4.569 4.170 -0.000 0.000 0.288 327 I C -0.136 175.969 176.117 -0.019 0.000 1.048 327 I CA -0.402 60.867 61.300 -0.053 0.000 1.062 327 I CB 2.027 39.987 38.000 -0.066 0.000 1.238 327 I HN 0.777 nan 8.210 nan 0.000 0.426 328 E N 5.606 125.806 120.200 -0.000 0.000 2.081 328 E HA 0.331 4.681 4.350 -0.000 0.000 0.276 328 E C -0.502 176.117 176.600 0.032 0.000 0.950 328 E CA -0.323 56.086 56.400 0.015 0.000 0.776 328 E CB 1.059 30.771 29.700 0.019 0.000 1.094 328 E HN 0.690 nan 8.360 nan 0.000 0.402 329 T N 1.924 116.502 114.554 0.039 0.000 2.882 329 T HA 0.268 4.618 4.350 -0.000 0.000 0.287 329 T C 0.159 174.887 174.700 0.047 0.000 1.014 329 T CA -0.911 61.222 62.100 0.054 0.000 1.049 329 T CB 1.479 70.391 68.868 0.073 0.000 1.001 329 T HN 0.348 nan 8.240 nan 0.000 0.525 330 Q N 0.448 120.278 119.800 0.051 0.000 2.256 330 Q HA 0.528 4.868 4.340 -0.000 0.000 0.257 330 Q C 0.583 176.602 176.000 0.032 0.000 0.936 330 Q CA -0.292 55.536 55.803 0.041 0.000 0.903 330 Q CB 1.536 30.301 28.738 0.045 0.000 1.263 330 Q HN 1.213 nan 8.270 nan 0.000 0.440 331 A N 2.017 124.848 122.820 0.018 0.000 2.665 331 A HA -0.200 4.120 4.320 -0.000 0.000 0.301 331 A C 1.181 178.771 177.584 0.009 0.000 1.509 331 A CA 1.362 53.403 52.037 0.006 0.000 0.789 331 A CB -2.193 16.807 19.000 0.001 0.000 1.024 331 A HN 1.524 nan 8.150 nan 0.000 0.460 332 G N -1.017 107.796 108.800 0.022 0.000 2.212 332 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.267 332 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.267 332 G C 0.036 174.960 174.900 0.040 0.000 1.002 332 G CA 1.101 46.219 45.100 0.031 0.000 0.729 332 G HN 1.615 nan 8.290 nan 0.000 0.517 333 D N 0.379 120.807 120.400 0.046 0.000 2.416 333 D HA 0.316 4.956 4.640 -0.000 0.000 0.240 333 D C 1.626 177.976 176.300 0.084 0.000 1.250 333 D CA 0.336 54.368 54.000 0.054 0.000 0.967 333 D CB 0.599 41.429 40.800 0.051 0.000 1.059 333 D HN 0.635 nan 8.370 nan 0.000 0.512 334 V N 1.551 121.527 119.914 0.104 0.000 3.563 334 V HA 0.154 4.274 4.120 -0.000 0.000 0.299 334 V C 1.141 177.313 176.094 0.130 0.000 1.290 334 V CA 0.366 62.761 62.300 0.158 0.000 1.201 334 V CB 0.048 32.053 31.823 0.304 0.000 1.045 334 V HN 0.313 nan 8.190 nan 0.000 0.425 335 S N 0.503 116.262 115.700 0.099 0.000 2.524 335 S HA 0.566 5.036 4.470 -0.000 0.000 0.215 335 S C 1.361 176.024 174.600 0.105 0.000 0.986 335 S CA 0.334 58.590 58.200 0.093 0.000 0.911 335 S CB 0.065 63.307 63.200 0.070 0.000 0.805 335 S HN 0.968 nan 8.310 nan 0.000 0.501 336 A N 0.741 123.627 122.820 0.110 0.000 2.521 336 A HA 0.132 4.452 4.320 -0.000 0.000 0.237 336 A C 0.932 178.628 177.584 0.186 0.000 1.087 336 A CA 0.105 52.224 52.037 0.138 0.000 0.777 336 A CB -0.251 18.824 19.000 0.125 0.000 1.035 336 A HN 0.414 nan 8.150 nan 0.000 0.510 337 Y N 1.155 121.486 120.300 0.051 0.000 2.097 337 Y HA -0.210 4.340 4.550 -0.000 0.000 0.282 337 Y C 1.830 177.729 175.900 -0.001 0.000 1.152 337 Y CA 2.336 60.455 58.100 0.032 0.000 1.136 337 Y CB -0.604 37.888 38.460 0.054 0.000 0.975 337 Y HN 0.519 nan 8.280 nan 0.000 0.498 338 I N 0.378 120.881 120.570 -0.111 0.000 2.163 338 I HA -0.189 3.981 4.170 -0.000 0.000 0.240 338 I C -0.636 175.442 176.117 -0.065 0.000 1.081 338 I CA 1.501 62.662 61.300 -0.232 0.000 1.353 338 I CB -1.938 35.883 38.000 -0.298 0.000 1.054 338 I HN 0.131 nan 8.210 nan 0.000 0.407 339 P HA -0.196 nan 4.420 nan 0.000 0.215 339 P C 1.788 179.111 177.300 0.038 0.000 1.157 339 P CA 2.609 65.722 63.100 0.022 0.000 0.874 339 P CB -0.486 31.247 31.700 0.055 0.000 0.790 340 T N -3.257 111.340 114.554 0.072 0.000 2.684 340 T HA -0.201 4.149 4.350 -0.000 0.000 0.267 340 T C 1.746 176.502 174.700 0.093 0.000 1.036 340 T CA 1.584 63.738 62.100 0.091 0.000 1.148 340 T CB -1.405 67.533 68.868 0.117 0.000 0.863 340 T HN -0.045 nan 8.240 nan 0.000 0.436 341 N N 1.623 120.373 118.700 0.083 0.000 2.027 341 N HA -0.115 4.625 4.740 -0.000 0.000 0.200 341 N C 1.990 177.596 175.510 0.160 0.000 1.042 341 N CA 1.723 54.864 53.050 0.151 0.000 0.871 341 N CB -1.173 37.345 38.487 0.052 0.000 1.063 341 N HN 0.364 nan 8.380 nan 0.000 0.438 342 V N 1.229 121.187 119.914 0.072 0.000 2.469 342 V HA -0.172 3.948 4.120 -0.000 0.000 0.251 342 V C 2.191 178.290 176.094 0.008 0.000 1.064 342 V CA 1.178 63.487 62.300 0.016 0.000 1.066 342 V CB -0.484 31.303 31.823 -0.060 0.000 0.667 342 V HN 0.292 nan 8.190 nan 0.000 0.461 343 I N 1.040 121.621 120.570 0.018 0.000 2.394 343 I HA -0.159 4.011 4.170 -0.000 0.000 0.251 343 I C 2.311 178.453 176.117 0.043 0.000 1.136 343 I CA 1.635 62.937 61.300 0.004 0.000 1.425 343 I CB -0.235 37.771 38.000 0.011 0.000 1.079 343 I HN 0.470 nan 8.210 nan 0.000 0.425 344 S N -0.169 115.587 115.700 0.093 0.000 2.701 344 S HA 0.170 4.640 4.470 -0.000 0.000 0.220 344 S C 1.311 176.013 174.600 0.170 0.000 0.954 344 S CA 0.149 58.426 58.200 0.128 0.000 0.936 344 S CB -0.309 62.977 63.200 0.145 0.000 0.777 344 S HN 0.436 nan 8.310 nan 0.000 0.518 345 I N 0.773 121.409 120.570 0.111 0.000 3.873 345 I HA 0.089 4.259 4.170 -0.000 0.000 0.284 345 I C 1.488 177.617 176.117 0.020 0.000 1.186 345 I CA 0.443 61.785 61.300 0.070 0.000 1.362 345 I CB -0.336 37.662 38.000 -0.005 0.000 1.432 345 I HN 0.333 nan 8.210 nan 0.000 0.454 346 T N -1.342 113.208 114.554 -0.006 0.000 2.689 346 T HA 0.070 4.420 4.350 -0.000 0.000 0.308 346 T C 0.312 175.007 174.700 -0.007 0.000 1.021 346 T CA -0.102 61.987 62.100 -0.019 0.000 0.973 346 T CB 0.562 69.403 68.868 -0.045 0.000 1.113 346 T HN 0.068 nan 8.240 nan 0.000 0.522 347 D N 0.215 120.608 120.400 -0.012 0.000 2.643 347 D HA 0.430 5.070 4.640 -0.000 0.000 0.244 347 D C 0.708 177.002 176.300 -0.010 0.000 1.257 347 D CA 0.047 54.045 54.000 -0.004 0.000 0.831 347 D CB 0.151 40.951 40.800 -0.001 0.000 1.043 347 D HN 0.954 nan 8.370 nan 0.000 0.488 348 G N 0.727 109.512 108.800 -0.025 0.000 2.361 348 G HA2 0.248 4.208 3.960 -0.000 0.000 0.305 348 G HA3 0.248 4.208 3.960 -0.000 0.000 0.305 348 G C -1.889 172.956 174.900 -0.092 0.000 1.367 348 G CA -0.881 44.198 45.100 -0.035 0.000 0.951 348 G HN 0.019 nan 8.290 nan 0.000 0.615 349 Q N -1.313 118.403 119.800 -0.140 0.000 2.501 349 Q HA 0.810 5.150 4.340 -0.000 0.000 0.288 349 Q C -0.833 175.036 176.000 -0.217 0.000 1.051 349 Q CA -0.686 54.948 55.803 -0.282 0.000 0.788 349 Q CB 2.288 30.648 28.738 -0.630 0.000 1.469 349 Q HN 0.682 nan 8.270 nan 0.000 0.416 350 I N 2.005 122.446 120.570 -0.216 0.000 2.466 350 I HA 0.390 4.560 4.170 -0.000 0.000 0.279 350 I C -1.304 174.787 176.117 -0.043 0.000 1.033 350 I CA -0.463 60.803 61.300 -0.057 0.000 1.123 350 I CB 0.576 38.571 38.000 -0.008 0.000 1.237 350 I HN 0.426 nan 8.210 nan 0.000 0.460 351 F N 6.404 126.369 119.950 0.026 0.000 2.405 351 F HA 0.495 5.022 4.527 -0.000 0.000 0.355 351 F C 0.062 175.882 175.800 0.034 0.000 1.121 351 F CA -0.896 57.119 58.000 0.026 0.000 1.112 351 F CB 0.489 39.505 39.000 0.027 0.000 1.126 351 F HN 0.103 nan 8.300 nan 0.000 0.481 352 L N 3.722 125.074 121.223 0.214 0.000 2.289 352 L HA 0.446 4.786 4.340 -0.000 0.000 0.285 352 L C 0.021 176.969 176.870 0.130 0.000 1.049 352 L CA -0.592 54.335 54.840 0.145 0.000 0.804 352 L CB 1.077 43.185 42.059 0.082 0.000 1.195 352 L HN 0.583 nan 8.230 nan 0.000 0.428 353 E N 1.476 121.753 120.200 0.128 0.000 2.166 353 E HA 0.201 4.551 4.350 -0.000 0.000 0.275 353 E C 0.261 176.940 176.600 0.132 0.000 0.941 353 E CA -0.416 56.045 56.400 0.103 0.000 0.784 353 E CB 2.105 31.860 29.700 0.090 0.000 1.115 353 E HN 0.574 nan 8.360 nan 0.000 0.399 354 T N 2.163 116.773 114.554 0.095 0.000 2.720 354 T HA -0.171 4.179 4.350 -0.000 0.000 0.268 354 T C 1.404 176.238 174.700 0.224 0.000 1.037 354 T CA 1.050 63.241 62.100 0.152 0.000 1.144 354 T CB 0.059 68.945 68.868 0.028 0.000 0.864 354 T HN 0.394 nan 8.240 nan 0.000 0.444 355 E N 1.144 121.405 120.200 0.103 0.000 2.033 355 E HA -0.110 4.240 4.350 -0.000 0.000 0.199 355 E C 2.370 179.086 176.600 0.192 0.000 1.011 355 E CA 1.039 57.493 56.400 0.091 0.000 0.815 355 E CB -0.559 29.164 29.700 0.039 0.000 0.755 355 E HN 0.461 nan 8.360 nan 0.000 0.451 356 L N -0.041 121.292 121.223 0.184 0.000 1.997 356 L HA -0.241 4.099 4.340 -0.000 0.000 0.216 356 L C 2.578 179.591 176.870 0.238 0.000 1.074 356 L CA 1.444 56.396 54.840 0.187 0.000 0.763 356 L CB -0.620 41.541 42.059 0.169 0.000 0.890 356 L HN 0.074 nan 8.230 nan 0.000 0.434 357 F N -0.234 119.804 119.950 0.147 0.000 2.063 357 F HA -0.329 4.198 4.527 -0.000 0.000 0.298 357 F C 2.455 178.317 175.800 0.103 0.000 1.109 357 F CA 1.814 59.891 58.000 0.128 0.000 1.212 357 F CB -0.484 38.617 39.000 0.168 0.000 0.973 357 F HN -0.067 nan 8.300 nan 0.000 0.480 358 Y N 0.062 120.458 120.300 0.160 0.000 2.163 358 Y HA -0.177 4.373 4.550 -0.000 0.000 0.288 358 Y C 2.420 178.324 175.900 0.007 0.000 1.136 358 Y CA 1.774 59.910 58.100 0.061 0.000 1.147 358 Y CB -0.980 37.535 38.460 0.091 0.000 0.987 358 Y HN -0.026 nan 8.280 nan 0.000 0.509 359 K N -0.001 120.519 120.400 0.199 0.000 2.589 359 K HA -0.087 4.233 4.320 -0.000 0.000 0.195 359 K C 1.122 177.747 176.600 0.041 0.000 1.040 359 K CA 0.862 57.214 56.287 0.108 0.000 0.950 359 K CB -0.551 32.014 32.500 0.109 0.000 0.781 359 K HN 0.544 nan 8.250 nan 0.000 0.486 360 G N 0.478 109.267 108.800 -0.018 0.000 2.141 360 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.242 360 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.242 360 G C -0.008 174.855 174.900 -0.061 0.000 0.982 360 G CA 0.078 45.129 45.100 -0.081 0.000 0.662 360 G HN 0.235 nan 8.290 nan 0.000 0.527 361 I N 1.324 121.887 120.570 -0.011 0.000 2.297 361 I HA 0.464 4.634 4.170 -0.000 0.000 0.291 361 I C 0.533 176.659 176.117 0.014 0.000 1.033 361 I CA -0.061 61.248 61.300 0.015 0.000 1.253 361 I CB 0.695 38.731 38.000 0.060 0.000 1.396 361 I HN 0.117 nan 8.210 nan 0.000 0.476 362 R N 6.999 127.489 120.500 -0.017 0.000 2.564 362 R HA 0.419 4.759 4.340 -0.000 0.000 0.284 362 R C -2.789 173.522 176.300 0.017 0.000 1.031 362 R CA -1.795 54.308 56.100 0.005 0.000 0.904 362 R CB 2.438 32.665 30.300 -0.121 0.000 1.199 362 R HN 0.285 nan 8.270 nan 0.000 0.443 363 P HA -0.018 nan 4.420 nan 0.000 0.264 363 P C 0.085 177.468 177.300 0.138 0.000 1.193 363 P CA 0.048 63.211 63.100 0.105 0.000 0.763 363 P CB 0.676 32.425 31.700 0.081 0.000 0.810 364 A N 4.870 127.829 122.820 0.232 0.000 2.253 364 A HA 0.021 4.341 4.320 -0.000 0.000 0.225 364 A C 0.933 178.618 177.584 0.169 0.000 1.521 364 A CA -0.097 52.084 52.037 0.239 0.000 1.494 364 A CB -1.562 17.670 19.000 0.386 0.000 0.804 364 A HN 0.525 nan 8.150 nan 0.000 0.614 365 I N 0.745 121.396 120.570 0.135 0.000 2.692 365 I HA -0.034 4.136 4.170 -0.000 0.000 0.284 365 I C 0.741 176.933 176.117 0.125 0.000 1.159 365 I CA -0.102 61.275 61.300 0.128 0.000 1.423 365 I CB 0.517 38.579 38.000 0.103 0.000 1.380 365 I HN 0.361 nan 8.210 nan 0.000 0.580 366 N N 6.178 124.963 118.700 0.142 0.000 2.678 366 N HA 0.103 4.843 4.740 -0.000 0.000 0.231 366 N C 0.543 176.118 175.510 0.107 0.000 1.038 366 N CA -0.179 52.930 53.050 0.100 0.000 0.932 366 N CB 1.315 39.825 38.487 0.038 0.000 1.176 366 N HN 0.403 nan 8.380 nan 0.000 0.511 367 V N 2.889 122.857 119.914 0.090 0.000 2.688 367 V HA -0.129 3.991 4.120 -0.000 0.000 0.256 367 V C 2.165 178.303 176.094 0.073 0.000 1.084 367 V CA 2.203 64.553 62.300 0.085 0.000 1.103 367 V CB -0.605 31.262 31.823 0.073 0.000 0.688 367 V HN 0.706 nan 8.190 nan 0.000 0.480 368 G N -0.616 108.213 108.800 0.049 0.000 2.408 368 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.213 368 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.213 368 G C 1.491 176.415 174.900 0.039 0.000 1.177 368 G CA 0.311 45.430 45.100 0.032 0.000 0.802 368 G HN 0.419 nan 8.290 nan 0.000 0.533 369 L N 1.085 122.304 121.223 -0.007 0.000 2.056 369 L HA 0.025 4.365 4.340 -0.000 0.000 0.207 369 L C 1.515 178.617 176.870 0.387 0.000 1.078 369 L CA 0.321 55.135 54.840 -0.044 0.000 0.749 369 L CB -0.705 40.956 42.059 -0.665 0.000 0.901 369 L HN 0.083 nan 8.230 nan 0.000 0.433 370 S N -0.433 115.522 115.700 0.427 0.000 2.573 370 S HA 0.345 4.815 4.470 -0.000 0.000 0.277 370 S C -0.094 174.624 174.600 0.197 0.000 1.346 370 S CA -0.440 57.988 58.200 0.380 0.000 1.034 370 S CB 1.425 64.779 63.200 0.257 0.000 0.879 370 S HN 0.089 nan 8.310 nan 0.000 0.528 371 V N 0.079 120.060 119.914 0.112 0.000 3.216 371 V HA 0.762 4.882 4.120 -0.000 0.000 0.302 371 V C -0.562 175.550 176.094 0.029 0.000 1.286 371 V CA -0.964 61.379 62.300 0.070 0.000 1.048 371 V CB 1.993 33.858 31.823 0.070 0.000 1.081 371 V HN 0.734 nan 8.190 nan 0.000 0.442 372 S N 0.429 116.145 115.700 0.026 0.000 2.524 372 S HA 0.401 4.871 4.470 -0.000 0.000 0.227 372 S C 0.785 175.394 174.600 0.014 0.000 1.304 372 S CA -0.690 57.518 58.200 0.012 0.000 1.185 372 S CB 0.741 63.947 63.200 0.010 0.000 1.104 372 S HN 0.739 nan 8.310 nan 0.000 0.475 373 R N 1.824 122.331 120.500 0.012 0.000 2.105 373 R HA -0.069 4.271 4.340 -0.000 0.000 0.239 373 R C 1.640 177.947 176.300 0.011 0.000 1.135 373 R CA 1.956 58.065 56.100 0.015 0.000 0.967 373 R CB -0.411 29.899 30.300 0.015 0.000 0.861 373 R HN 0.627 nan 8.270 nan 0.000 0.442 374 V N -4.022 115.896 119.914 0.007 0.000 3.645 374 V HA 0.308 4.428 4.120 -0.000 0.000 0.275 374 V C 1.865 177.960 176.094 0.001 0.000 1.356 374 V CA 0.754 63.057 62.300 0.005 0.000 1.051 374 V CB 0.321 32.146 31.823 0.003 0.000 0.828 374 V HN 0.233 nan 8.190 nan 0.000 0.441 375 G N 1.173 109.972 108.800 -0.000 0.000 2.598 375 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.215 375 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.215 375 G C 1.466 176.365 174.900 -0.000 0.000 1.131 375 G CA 1.066 46.164 45.100 -0.004 0.000 0.785 375 G HN 0.553 nan 8.290 nan 0.000 0.539 376 S N 1.522 117.225 115.700 0.005 0.000 2.370 376 S HA -0.105 4.365 4.470 -0.000 0.000 0.226 376 S C 2.766 177.368 174.600 0.004 0.000 1.033 376 S CA 1.179 59.383 58.200 0.007 0.000 1.011 376 S CB -0.445 62.760 63.200 0.010 0.000 0.852 376 S HN 0.557 nan 8.310 nan 0.000 0.457 377 A N 1.892 124.714 122.820 0.003 0.000 1.908 377 A HA 0.111 4.431 4.320 -0.000 0.000 0.218 377 A C 2.387 179.969 177.584 -0.004 0.000 1.181 377 A CA 1.706 53.744 52.037 0.001 0.000 0.627 377 A CB -1.180 17.821 19.000 0.002 0.000 0.818 377 A HN 0.582 nan 8.150 nan 0.000 0.445 378 A N -1.157 121.657 122.820 -0.010 0.000 2.125 378 A HA -0.047 4.273 4.320 -0.000 0.000 0.219 378 A C 1.401 178.975 177.584 -0.016 0.000 1.156 378 A CA 0.833 52.857 52.037 -0.021 0.000 0.671 378 A CB -0.372 18.610 19.000 -0.030 0.000 0.794 378 A HN 0.664 nan 8.150 nan 0.000 0.459 379 Q N 0.959 120.756 119.800 -0.006 0.000 2.352 379 Q HA 0.230 4.570 4.340 -0.000 0.000 0.260 379 Q C -0.398 175.605 176.000 0.005 0.000 0.976 379 Q CA -0.146 55.657 55.803 0.001 0.000 0.881 379 Q CB 0.563 29.305 28.738 0.007 0.000 1.235 379 Q HN 0.481 nan 8.270 nan 0.000 0.419 380 T N 2.468 117.027 114.554 0.009 0.000 2.926 380 T HA 0.016 4.366 4.350 -0.000 0.000 0.307 380 T C 0.898 175.609 174.700 0.019 0.000 1.059 380 T CA -0.463 61.646 62.100 0.015 0.000 1.122 380 T CB 0.853 69.734 68.868 0.021 0.000 0.972 380 T HN 0.658 nan 8.240 nan 0.000 0.545 381 R N 1.952 122.464 120.500 0.020 0.000 2.092 381 R HA 0.006 4.346 4.340 -0.000 0.000 0.231 381 R C 2.406 178.725 176.300 0.030 0.000 1.119 381 R CA 1.759 57.872 56.100 0.023 0.000 0.970 381 R CB -1.118 29.195 30.300 0.021 0.000 0.864 381 R HN 0.758 nan 8.270 nan 0.000 0.440 382 A N 0.789 123.628 122.820 0.033 0.000 1.903 382 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 382 A C 2.201 179.816 177.584 0.050 0.000 1.191 382 A CA 1.966 54.029 52.037 0.043 0.000 0.638 382 A CB -0.552 18.470 19.000 0.037 0.000 0.823 382 A HN 0.376 nan 8.150 nan 0.000 0.451 383 M N -1.491 118.134 119.600 0.041 0.000 2.156 383 M HA -0.081 4.399 4.480 -0.000 0.000 0.264 383 M C 2.061 178.382 176.300 0.035 0.000 1.067 383 M CA 1.669 56.994 55.300 0.040 0.000 1.131 383 M CB -0.935 31.684 32.600 0.033 0.000 1.368 383 M HN 0.300 nan 8.290 nan 0.000 0.416 384 K N 0.532 120.949 120.400 0.029 0.000 2.059 384 K HA -0.207 4.113 4.320 -0.000 0.000 0.212 384 K C 1.959 178.575 176.600 0.027 0.000 1.050 384 K CA 1.677 57.979 56.287 0.024 0.000 0.927 384 K CB -0.364 32.148 32.500 0.022 0.000 0.714 384 K HN 0.443 nan 8.250 nan 0.000 0.447 385 Q N -0.630 119.192 119.800 0.037 0.000 2.096 385 Q HA -0.149 4.191 4.340 -0.000 0.000 0.204 385 Q C 2.044 178.069 176.000 0.043 0.000 0.982 385 Q CA 1.954 57.783 55.803 0.045 0.000 0.850 385 Q CB -0.038 28.739 28.738 0.065 0.000 0.901 385 Q HN 0.408 nan 8.270 nan 0.000 0.422 386 V N -4.147 115.797 119.914 0.051 0.000 2.788 386 V HA 0.270 4.390 4.120 -0.000 0.000 0.241 386 V C 2.011 178.115 176.094 0.018 0.000 1.083 386 V CA 0.844 63.167 62.300 0.039 0.000 1.103 386 V CB -0.625 31.249 31.823 0.085 0.000 0.800 386 V HN 0.166 nan 8.190 nan 0.000 0.476 387 A N 1.486 124.321 122.820 0.025 0.000 2.015 387 A HA 0.122 4.442 4.320 -0.000 0.000 0.219 387 A C 2.274 179.865 177.584 0.011 0.000 1.163 387 A CA 1.694 53.742 52.037 0.017 0.000 0.646 387 A CB -1.363 17.651 19.000 0.023 0.000 0.806 387 A HN 0.746 nan 8.150 nan 0.000 0.448 388 G N -0.110 108.696 108.800 0.011 0.000 2.440 388 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.218 388 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.218 388 G C 1.491 176.390 174.900 -0.001 0.000 1.154 388 G CA 1.782 46.886 45.100 0.007 0.000 0.767 388 G HN 0.748 nan 8.290 nan 0.000 0.552 389 T N -2.474 112.074 114.554 -0.010 0.000 3.163 389 T HA 0.378 4.728 4.350 -0.000 0.000 0.252 389 T C 1.844 176.529 174.700 -0.026 0.000 1.056 389 T CA 0.266 62.353 62.100 -0.021 0.000 0.947 389 T CB 0.369 69.216 68.868 -0.035 0.000 1.016 389 T HN 0.224 nan 8.240 nan 0.000 0.554 390 M N 0.384 119.974 119.600 -0.017 0.000 2.429 390 M HA 0.310 4.790 4.480 -0.000 0.000 0.265 390 M C 2.259 178.555 176.300 -0.005 0.000 1.120 390 M CA 1.072 56.361 55.300 -0.019 0.000 1.173 390 M CB 0.080 32.673 32.600 -0.012 0.000 1.343 390 M HN 0.094 nan 8.290 nan 0.000 0.464 391 K N 0.442 120.846 120.400 0.006 0.000 2.155 391 K HA -0.046 4.274 4.320 -0.000 0.000 0.203 391 K C 1.749 178.359 176.600 0.016 0.000 1.052 391 K CA 1.020 57.318 56.287 0.018 0.000 0.948 391 K CB -0.161 32.353 32.500 0.023 0.000 0.728 391 K HN 0.374 nan 8.250 nan 0.000 0.448 392 L N 0.344 121.571 121.223 0.006 0.000 2.013 392 L HA -0.232 4.108 4.340 -0.000 0.000 0.212 392 L C 2.201 179.074 176.870 0.005 0.000 1.073 392 L CA 1.661 56.502 54.840 0.003 0.000 0.753 392 L CB -0.675 41.380 42.059 -0.005 0.000 0.890 392 L HN 0.224 nan 8.230 nan 0.000 0.432 393 E N 0.442 120.639 120.200 -0.004 0.000 2.077 393 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 393 E C 2.351 178.971 176.600 0.033 0.000 0.989 393 E CA 0.963 57.359 56.400 -0.005 0.000 0.800 393 E CB -0.121 29.555 29.700 -0.039 0.000 0.746 393 E HN 0.434 nan 8.360 nan 0.000 0.452 394 L N 0.257 121.501 121.223 0.035 0.000 2.465 394 L HA -0.080 4.260 4.340 -0.000 0.000 0.224 394 L C 2.247 179.182 176.870 0.108 0.000 1.145 394 L CA 0.276 55.170 54.840 0.090 0.000 0.834 394 L CB -0.226 41.867 42.059 0.058 0.000 0.944 394 L HN 0.167 nan 8.230 nan 0.000 0.451 395 A N -0.336 122.520 122.820 0.059 0.000 1.874 395 A HA -0.162 4.158 4.320 -0.000 0.000 0.214 395 A C 2.084 179.685 177.584 0.029 0.000 1.189 395 A CA 0.776 52.834 52.037 0.036 0.000 0.615 395 A CB -0.238 18.773 19.000 0.019 0.000 0.830 395 A HN 0.420 nan 8.150 nan 0.000 0.443 396 Q N -2.214 117.609 119.800 0.039 0.000 2.488 396 Q HA -0.102 4.238 4.340 -0.000 0.000 0.211 396 Q C 1.443 177.480 176.000 0.061 0.000 0.967 396 Q CA 1.255 57.076 55.803 0.030 0.000 0.926 396 Q CB -0.152 28.602 28.738 0.025 0.000 0.992 396 Q HN 0.883 nan 8.270 nan 0.000 0.506 397 Y N -0.203 120.073 120.300 -0.039 0.000 2.558 397 Y HA 0.175 4.725 4.550 -0.000 0.000 0.273 397 Y C 1.986 177.857 175.900 -0.048 0.000 1.100 397 Y CA 0.064 58.138 58.100 -0.043 0.000 1.276 397 Y CB 0.284 38.721 38.460 -0.038 0.000 1.196 397 Y HN -0.207 nan 8.280 nan 0.000 0.527 398 R N 0.756 121.206 120.500 -0.082 0.000 2.103 398 R HA -0.226 4.114 4.340 -0.000 0.000 0.242 398 R C 1.988 178.129 176.300 -0.265 0.000 1.142 398 R CA 2.189 58.184 56.100 -0.174 0.000 0.960 398 R CB -0.143 30.127 30.300 -0.050 0.000 0.858 398 R HN 0.475 nan 8.270 nan 0.000 0.439 399 E N -0.518 119.565 120.200 -0.195 0.000 2.000 399 E HA -0.174 4.176 4.350 -0.000 0.000 0.199 399 E C 1.661 178.115 176.600 -0.242 0.000 1.011 399 E CA 1.786 58.073 56.400 -0.188 0.000 0.836 399 E CB 0.066 29.694 29.700 -0.119 0.000 0.778 399 E HN 0.085 nan 8.360 nan 0.000 0.462 400 V N 0.820 120.598 119.914 -0.225 0.000 3.330 400 V HA -0.086 4.034 4.120 -0.000 0.000 0.273 400 V C 0.946 176.863 176.094 -0.295 0.000 1.179 400 V CA 0.995 63.168 62.300 -0.212 0.000 1.174 400 V CB -0.931 30.813 31.823 -0.132 0.000 0.794 400 V HN 0.269 nan 8.190 nan 0.000 0.527 401 A N 0.746 123.293 122.820 -0.456 0.000 3.015 401 A HA 0.709 5.029 4.320 -0.000 0.000 0.293 401 A C 0.789 178.151 177.584 -0.369 0.000 1.572 401 A CA 0.258 51.999 52.037 -0.493 0.000 1.274 401 A CB -0.609 17.858 19.000 -0.888 0.000 1.156 401 A HN 0.488 nan 8.150 nan 0.000 0.562 402 A N 0.493 123.119 122.820 -0.324 0.000 2.310 402 A HA 0.615 4.935 4.320 -0.000 0.000 0.260 402 A C 0.582 178.006 177.584 -0.267 0.000 1.112 402 A CA -0.263 51.537 52.037 -0.395 0.000 0.804 402 A CB -0.093 18.746 19.000 -0.269 0.000 1.081 402 A HN 0.588 nan 8.150 nan 0.000 0.499 403 F N 0.371 120.261 119.950 -0.100 0.000 2.206 403 F HA 0.147 4.674 4.527 -0.000 0.000 0.298 403 F C 2.080 177.802 175.800 -0.130 0.000 1.090 403 F CA 0.424 58.365 58.000 -0.097 0.000 1.323 403 F CB -1.189 37.766 39.000 -0.075 0.000 1.028 403 F HN 0.475 nan 8.300 nan 0.000 0.492 404 A N 1.416 124.247 122.820 0.019 0.000 2.532 404 A HA -0.068 4.252 4.320 -0.000 0.000 0.269 404 A C 1.354 178.819 177.584 -0.199 0.000 1.079 404 A CA 0.053 52.046 52.037 -0.074 0.000 0.800 404 A CB -0.307 18.657 19.000 -0.060 0.000 1.000 404 A HN 0.558 nan 8.150 nan 0.000 0.522 405 Q N 1.274 120.824 119.800 -0.416 0.000 2.137 405 Q HA -0.007 4.333 4.340 -0.000 0.000 0.198 405 Q C -0.707 174.732 176.000 -0.935 0.000 0.960 405 Q CA 0.984 56.308 55.803 -0.799 0.000 0.847 405 Q CB 0.150 28.132 28.738 -1.260 0.000 0.915 405 Q HN 0.861 nan 8.270 nan 0.000 0.448 406 F N 0.367 120.330 119.950 0.021 0.000 2.310 406 F HA 0.493 5.020 4.527 -0.000 0.000 0.365 406 F C 0.355 176.160 175.800 0.008 0.000 1.080 406 F CA -1.015 56.994 58.000 0.014 0.000 1.187 406 F CB 1.065 40.074 39.000 0.014 0.000 1.465 406 F HN -0.220 nan 8.300 nan 0.000 0.496 407 G N 0.610 109.461 108.800 0.086 0.000 2.544 407 G HA2 0.489 4.449 3.960 -0.000 0.000 0.313 407 G HA3 0.489 4.449 3.960 -0.000 0.000 0.313 407 G C -0.924 174.004 174.900 0.047 0.000 1.316 407 G CA -0.724 44.403 45.100 0.045 0.000 0.944 407 G HN 0.324 nan 8.290 nan 0.000 0.489 408 S N 2.081 117.806 115.700 0.043 0.000 2.475 408 S HA 0.417 4.887 4.470 -0.000 0.000 0.281 408 S C -0.466 174.143 174.600 0.015 0.000 1.198 408 S CA -0.613 57.606 58.200 0.033 0.000 1.063 408 S CB 1.299 64.517 63.200 0.031 0.000 0.972 408 S HN 0.600 nan 8.310 nan 0.000 0.486 409 D N 1.703 122.110 120.400 0.011 0.000 2.340 409 D HA 0.626 5.266 4.640 -0.000 0.000 0.243 409 D C -0.252 176.049 176.300 0.001 0.000 0.988 409 D CA -0.423 53.578 54.000 0.001 0.000 0.959 409 D CB 1.442 42.239 40.800 -0.004 0.000 1.226 409 D HN 0.283 nan 8.370 nan 0.000 0.509 410 L N -0.179 121.042 121.223 -0.003 0.000 2.277 410 L HA 0.399 4.739 4.340 -0.000 0.000 0.254 410 L C -0.704 176.162 176.870 -0.007 0.000 1.044 410 L CA -1.026 53.811 54.840 -0.004 0.000 0.842 410 L CB 1.571 43.627 42.059 -0.005 0.000 1.422 410 L HN 0.415 nan 8.230 nan 0.000 0.422 411 D N -0.061 120.335 120.400 -0.007 0.000 7.547 411 D HA -0.131 4.509 4.640 -0.000 0.000 0.255 411 D C 0.473 176.768 176.300 -0.009 0.000 2.090 411 D CA 0.733 54.728 54.000 -0.009 0.000 1.914 411 D CB 0.325 41.118 40.800 -0.012 0.000 0.809 411 D HN 0.770 nan 8.370 nan 0.000 0.513 412 A N 3.969 126.784 122.820 -0.009 0.000 1.883 412 A HA 0.163 4.483 4.320 -0.000 0.000 0.217 412 A C 2.382 179.958 177.584 -0.012 0.000 1.186 412 A CA 3.161 55.192 52.037 -0.011 0.000 0.624 412 A CB -0.843 18.149 19.000 -0.012 0.000 0.822 412 A HN 1.160 nan 8.150 nan 0.000 0.444 413 A N -0.062 122.750 122.820 -0.013 0.000 1.829 413 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 413 A C 2.466 180.044 177.584 -0.010 0.000 1.207 413 A CA 3.261 55.290 52.037 -0.014 0.000 0.622 413 A CB -1.800 17.191 19.000 -0.015 0.000 0.846 413 A HN 0.869 nan 8.150 nan 0.000 0.447 414 T N -1.697 112.851 114.554 -0.010 0.000 2.714 414 T HA -0.324 4.026 4.350 -0.000 0.000 0.268 414 T C 1.876 176.577 174.700 0.002 0.000 1.036 414 T CA 1.960 64.055 62.100 -0.007 0.000 1.148 414 T CB -0.553 68.305 68.868 -0.016 0.000 0.856 414 T HN 0.588 nan 8.240 nan 0.000 0.462 415 Q N 0.600 120.400 119.800 -0.001 0.000 2.020 415 Q HA -0.189 4.151 4.340 -0.000 0.000 0.202 415 Q C 2.732 178.736 176.000 0.008 0.000 0.982 415 Q CA 1.797 57.603 55.803 0.005 0.000 0.838 415 Q CB -0.256 28.482 28.738 -0.001 0.000 0.899 415 Q HN 0.732 nan 8.270 nan 0.000 0.423 416 Q N 0.763 120.561 119.800 -0.004 0.000 2.061 416 Q HA -0.222 4.118 4.340 -0.000 0.000 0.204 416 Q C 2.059 178.056 176.000 -0.005 0.000 0.984 416 Q CA 1.471 57.265 55.803 -0.015 0.000 0.846 416 Q CB -0.294 28.429 28.738 -0.026 0.000 0.902 416 Q HN 0.446 nan 8.270 nan 0.000 0.421 417 L N 0.504 121.734 121.223 0.011 0.000 2.013 417 L HA -0.232 4.108 4.340 -0.000 0.000 0.212 417 L C 2.723 179.660 176.870 0.111 0.000 1.073 417 L CA 1.128 55.992 54.840 0.040 0.000 0.753 417 L CB -0.633 41.451 42.059 0.040 0.000 0.890 417 L HN 0.265 nan 8.230 nan 0.000 0.432 418 L N -0.728 120.571 121.223 0.126 0.000 2.191 418 L HA -0.170 4.170 4.340 -0.000 0.000 0.212 418 L C 2.615 179.564 176.870 0.132 0.000 1.103 418 L CA 0.854 55.837 54.840 0.238 0.000 0.769 418 L CB -0.300 41.836 42.059 0.128 0.000 0.908 418 L HN 0.241 nan 8.230 nan 0.000 0.438 419 S N -1.028 114.688 115.700 0.027 0.000 2.395 419 S HA -0.032 4.438 4.470 -0.000 0.000 0.225 419 S C 2.015 176.549 174.600 -0.111 0.000 1.027 419 S CA 0.466 58.643 58.200 -0.038 0.000 0.965 419 S CB -0.041 63.137 63.200 -0.037 0.000 0.812 419 S HN 0.325 nan 8.310 nan 0.000 0.482 420 R N 1.227 121.656 120.500 -0.118 0.000 2.061 420 R HA -0.018 4.322 4.340 -0.000 0.000 0.230 420 R C 2.693 178.810 176.300 -0.306 0.000 1.140 420 R CA 1.401 57.398 56.100 -0.172 0.000 0.940 420 R CB -1.478 28.741 30.300 -0.136 0.000 0.839 420 R HN 0.484 nan 8.270 nan 0.000 0.429 421 G N 1.420 109.940 108.800 -0.466 0.000 2.728 421 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.224 421 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.224 421 G C 1.500 175.735 174.900 -1.108 0.000 1.139 421 G CA 2.227 46.598 45.100 -1.214 0.000 0.761 421 G HN 0.372 nan 8.290 nan 0.000 0.621 422 V N -1.712 117.786 119.914 -0.693 0.000 2.667 422 V HA 0.031 4.151 4.120 -0.000 0.000 0.252 422 V C 2.677 178.637 176.094 -0.223 0.000 1.065 422 V CA 1.838 63.940 62.300 -0.330 0.000 1.083 422 V CB -0.415 31.335 31.823 -0.122 0.000 0.692 422 V HN 0.240 nan 8.190 nan 0.000 0.468 423 R N 0.741 121.105 120.500 -0.228 0.000 2.052 423 R HA 0.207 4.547 4.340 -0.000 0.000 0.226 423 R C 2.446 178.643 176.300 -0.171 0.000 1.145 423 R CA 1.490 57.483 56.100 -0.177 0.000 0.952 423 R CB -1.198 28.992 30.300 -0.183 0.000 0.847 423 R HN 0.471 nan 8.270 nan 0.000 0.431 424 L N 1.003 122.105 121.223 -0.201 0.000 2.051 424 L HA -0.228 4.112 4.340 -0.000 0.000 0.214 424 L C 2.300 179.096 176.870 -0.124 0.000 1.076 424 L CA 1.932 56.678 54.840 -0.156 0.000 0.758 424 L CB -1.017 40.943 42.059 -0.165 0.000 0.890 424 L HN 0.249 nan 8.230 nan 0.000 0.433 425 T N -1.260 113.198 114.554 -0.160 0.000 2.881 425 T HA -0.125 4.225 4.350 -0.000 0.000 0.270 425 T C 1.713 176.380 174.700 -0.054 0.000 1.068 425 T CA 0.946 62.993 62.100 -0.088 0.000 1.131 425 T CB -0.100 68.717 68.868 -0.086 0.000 0.871 425 T HN 0.330 nan 8.240 nan 0.000 0.479 426 E N 1.151 121.310 120.200 -0.069 0.000 2.158 426 E HA 0.094 4.444 4.350 -0.000 0.000 0.191 426 E C 2.226 178.811 176.600 -0.026 0.000 0.982 426 E CA 0.432 56.808 56.400 -0.039 0.000 0.823 426 E CB -0.278 29.394 29.700 -0.045 0.000 0.766 426 E HN 0.479 nan 8.360 nan 0.000 0.468 427 L N 0.420 121.619 121.223 -0.041 0.000 2.275 427 L HA -0.088 4.252 4.340 -0.000 0.000 0.215 427 L C 2.174 179.043 176.870 -0.002 0.000 1.119 427 L CA 0.685 55.513 54.840 -0.021 0.000 0.790 427 L CB -0.286 41.751 42.059 -0.037 0.000 0.919 427 L HN 0.090 nan 8.230 nan 0.000 0.443 428 L N -0.890 120.330 121.223 -0.006 0.000 2.567 428 L HA 0.055 4.395 4.340 -0.000 0.000 0.225 428 L C 0.770 177.648 176.870 0.013 0.000 1.119 428 L CA 0.038 54.883 54.840 0.009 0.000 0.871 428 L CB -0.230 41.836 42.059 0.012 0.000 1.036 428 L HN 0.123 nan 8.230 nan 0.000 0.459 429 K N 1.886 122.290 120.400 0.007 0.000 2.326 429 K HA 0.272 4.592 4.320 -0.000 0.000 0.275 429 K C -0.266 176.338 176.600 0.006 0.000 1.018 429 K CA 0.163 56.452 56.287 0.004 0.000 0.962 429 K CB 0.932 33.430 32.500 -0.004 0.000 0.953 429 K HN 0.092 nan 8.250 nan 0.000 0.475 430 Q N 0.349 120.149 119.800 -0.001 0.000 2.353 430 Q HA 0.283 4.623 4.340 -0.000 0.000 0.275 430 Q C -0.571 175.417 176.000 -0.019 0.000 1.029 430 Q CA -0.566 55.236 55.803 -0.002 0.000 0.848 430 Q CB 2.439 31.178 28.738 0.003 0.000 1.390 430 Q HN 0.867 nan 8.270 nan 0.000 0.401 431 G N 1.016 109.805 108.800 -0.018 0.000 2.543 431 G HA2 0.340 4.300 3.960 -0.000 0.000 0.290 431 G HA3 0.340 4.300 3.960 -0.000 0.000 0.290 431 G C -0.495 174.359 174.900 -0.078 0.000 1.310 431 G CA -0.218 44.860 45.100 -0.036 0.000 1.025 431 G HN 0.473 nan 8.290 nan 0.000 0.502 432 Q N -1.406 118.304 119.800 -0.150 0.000 2.221 432 Q HA 0.349 4.689 4.340 -0.000 0.000 0.242 432 Q C -0.826 175.008 176.000 -0.277 0.000 0.940 432 Q CA -0.551 55.008 55.803 -0.407 0.000 0.896 432 Q CB 1.091 29.318 28.738 -0.852 0.000 1.226 432 Q HN 0.532 nan 8.270 nan 0.000 0.463 433 Y N -1.276 119.031 120.300 0.011 0.000 4.409 433 Y HA -0.243 4.307 4.550 -0.000 0.000 0.228 433 Y C 0.003 175.907 175.900 0.007 0.000 1.108 433 Y CA 0.591 58.695 58.100 0.006 0.000 1.955 433 Y CB -2.239 36.221 38.460 -0.001 0.000 1.615 433 Y HN 0.409 nan 8.280 nan 0.000 0.665 434 S N -0.048 115.702 115.700 0.083 0.000 2.399 434 S HA 0.342 4.812 4.470 -0.000 0.000 0.198 434 S C -2.393 172.229 174.600 0.037 0.000 1.294 434 S CA -0.925 57.312 58.200 0.063 0.000 1.237 434 S CB 0.835 64.067 63.200 0.053 0.000 1.286 434 S HN -0.001 nan 8.310 nan 0.000 0.404 435 P HA 0.152 nan 4.420 nan 0.000 0.265 435 P C -0.328 176.985 177.300 0.022 0.000 1.193 435 P CA 0.210 63.330 63.100 0.033 0.000 0.765 435 P CB 0.371 32.100 31.700 0.049 0.000 0.823 436 M N 1.591 121.202 119.600 0.019 0.000 2.528 436 M HA 0.528 5.008 4.480 -0.000 0.000 0.318 436 M C 0.400 176.701 176.300 0.001 0.000 1.195 436 M CA -0.955 54.349 55.300 0.007 0.000 1.000 436 M CB 1.595 34.203 32.600 0.014 0.000 1.615 436 M HN 0.271 nan 8.290 nan 0.000 0.469 437 A N 1.554 124.360 122.820 -0.024 0.000 2.409 437 A HA 0.232 4.552 4.320 -0.000 0.000 0.267 437 A C 0.967 178.546 177.584 -0.008 0.000 1.127 437 A CA -0.456 51.557 52.037 -0.040 0.000 0.795 437 A CB -0.044 18.912 19.000 -0.074 0.000 1.061 437 A HN 0.911 nan 8.150 nan 0.000 0.502 438 I N 1.788 122.369 120.570 0.018 0.000 2.182 438 I HA -0.321 3.849 4.170 -0.000 0.000 0.248 438 I C 2.588 178.716 176.117 0.018 0.000 1.073 438 I CA 2.572 63.891 61.300 0.032 0.000 1.335 438 I CB -0.162 37.868 38.000 0.051 0.000 1.031 438 I HN 0.870 nan 8.210 nan 0.000 0.420 439 E N 0.237 120.437 120.200 -0.001 0.000 2.204 439 E HA -0.243 4.107 4.350 -0.000 0.000 0.194 439 E C 1.800 178.392 176.600 -0.014 0.000 0.989 439 E CA 1.509 57.903 56.400 -0.009 0.000 0.824 439 E CB -0.660 29.024 29.700 -0.025 0.000 0.756 439 E HN 0.665 nan 8.360 nan 0.000 0.477 440 E N 0.905 121.095 120.200 -0.017 0.000 2.072 440 E HA -0.141 4.209 4.350 -0.000 0.000 0.190 440 E C 2.332 178.946 176.600 0.023 0.000 0.982 440 E CA 1.171 57.562 56.400 -0.016 0.000 0.803 440 E CB -0.056 29.629 29.700 -0.026 0.000 0.755 440 E HN 0.398 nan 8.360 nan 0.000 0.453 441 Q N 0.397 120.215 119.800 0.031 0.000 2.050 441 Q HA -0.150 4.190 4.340 -0.000 0.000 0.202 441 Q C 2.526 178.567 176.000 0.069 0.000 0.980 441 Q CA 1.939 57.771 55.803 0.049 0.000 0.840 441 Q CB -0.240 28.522 28.738 0.041 0.000 0.898 441 Q HN 0.270 nan 8.270 nan 0.000 0.424 442 V N -0.133 119.820 119.914 0.063 0.000 2.490 442 V HA -0.233 3.887 4.120 -0.000 0.000 0.250 442 V C 2.271 178.444 176.094 0.132 0.000 1.061 442 V CA 1.514 63.868 62.300 0.090 0.000 1.064 442 V CB -1.527 30.340 31.823 0.074 0.000 0.670 442 V HN 0.312 nan 8.190 nan 0.000 0.461 443 A N 1.809 124.687 122.820 0.095 0.000 1.834 443 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 443 A C 2.528 180.277 177.584 0.275 0.000 1.203 443 A CA 3.150 55.262 52.037 0.124 0.000 0.621 443 A CB -1.196 17.825 19.000 0.036 0.000 0.841 443 A HN 0.996 nan 8.150 nan 0.000 0.446 444 V N -0.684 119.391 119.914 0.268 0.000 2.287 444 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 444 V C 2.161 178.343 176.094 0.148 0.000 1.053 444 V CA 2.204 64.659 62.300 0.258 0.000 1.027 444 V CB -0.928 31.018 31.823 0.205 0.000 0.646 444 V HN 0.467 nan 8.190 nan 0.000 0.447 445 I N -0.257 120.387 120.570 0.124 0.000 2.264 445 I HA -0.228 3.942 4.170 -0.000 0.000 0.248 445 I C 2.563 178.743 176.117 0.104 0.000 1.111 445 I CA 2.511 63.859 61.300 0.080 0.000 1.382 445 I CB -1.599 36.441 38.000 0.066 0.000 1.060 445 I HN 0.553 nan 8.210 nan 0.000 0.418 446 Y N 2.276 122.602 120.300 0.043 0.000 2.114 446 Y HA -0.300 4.250 4.550 -0.000 0.000 0.282 446 Y C 2.675 178.621 175.900 0.077 0.000 1.165 446 Y CA 2.036 60.173 58.100 0.061 0.000 1.148 446 Y CB -0.418 38.084 38.460 0.070 0.000 0.972 446 Y HN 0.134 nan 8.280 nan 0.000 0.504 447 A N 0.041 123.020 122.820 0.266 0.000 1.892 447 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 447 A C 2.478 180.053 177.584 -0.016 0.000 1.188 447 A CA 2.224 54.317 52.037 0.095 0.000 0.631 447 A CB -1.727 17.148 19.000 -0.210 0.000 0.822 447 A HN 0.627 nan 8.150 nan 0.000 0.447 448 G N -1.211 107.535 108.800 -0.090 0.000 2.396 448 G HA2 0.038 3.998 3.960 -0.000 0.000 0.214 448 G HA3 0.038 3.998 3.960 -0.000 0.000 0.214 448 G C 1.397 176.213 174.900 -0.140 0.000 1.166 448 G CA 1.009 46.023 45.100 -0.143 0.000 0.793 448 G HN 0.356 nan 8.290 nan 0.000 0.533 449 V N 0.810 120.652 119.914 -0.120 0.000 2.759 449 V HA -0.002 4.118 4.120 -0.000 0.000 0.256 449 V C 2.636 178.610 176.094 -0.200 0.000 1.080 449 V CA 1.080 63.297 62.300 -0.139 0.000 1.101 449 V CB -0.357 31.402 31.823 -0.106 0.000 0.698 449 V HN 0.146 nan 8.190 nan 0.000 0.477 450 R N -0.157 120.192 120.500 -0.252 0.000 2.280 450 R HA 0.259 4.599 4.340 -0.000 0.000 0.195 450 R C 1.789 177.797 176.300 -0.488 0.000 0.935 450 R CA 0.762 56.648 56.100 -0.356 0.000 1.033 450 R CB 0.168 30.238 30.300 -0.383 0.000 0.964 450 R HN 0.559 nan 8.270 nan 0.000 0.489 451 G N -0.162 108.406 108.800 -0.386 0.000 2.218 451 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.216 451 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.216 451 G C 0.442 175.107 174.900 -0.392 0.000 0.994 451 G CA -0.044 44.822 45.100 -0.390 0.000 0.637 451 G HN 0.316 nan 8.290 nan 0.000 0.505 452 Y N 0.830 121.031 120.300 -0.166 0.000 2.797 452 Y HA 0.276 4.826 4.550 -0.000 0.000 0.307 452 Y C 2.261 177.989 175.900 -0.287 0.000 1.168 452 Y CA 1.312 59.310 58.100 -0.169 0.000 1.388 452 Y CB -0.147 38.241 38.460 -0.119 0.000 0.985 452 Y HN 0.394 nan 8.280 nan 0.000 0.545 453 L N -2.000 119.089 121.223 -0.223 0.000 3.086 453 L HA 0.195 4.535 4.340 -0.000 0.000 0.274 453 L C 0.828 177.573 176.870 -0.208 0.000 1.184 453 L CA -0.060 54.592 54.840 -0.313 0.000 1.002 453 L CB 0.283 42.078 42.059 -0.440 0.000 1.383 453 L HN -0.072 nan 8.230 nan 0.000 0.582 454 D N 1.412 121.708 120.400 -0.174 0.000 2.123 454 D HA -0.189 4.451 4.640 -0.000 0.000 0.196 454 D C 1.888 178.130 176.300 -0.098 0.000 0.992 454 D CA 1.369 55.287 54.000 -0.136 0.000 0.833 454 D CB 0.155 40.872 40.800 -0.137 0.000 0.954 454 D HN 0.059 nan 8.370 nan 0.000 0.455 455 K N -0.644 119.705 120.400 -0.085 0.000 2.555 455 K HA 0.033 4.353 4.320 -0.000 0.000 0.193 455 K C -0.162 176.419 176.600 -0.031 0.000 1.032 455 K CA -0.118 56.141 56.287 -0.046 0.000 1.004 455 K CB 0.145 32.629 32.500 -0.026 0.000 0.804 455 K HN 0.015 nan 8.250 nan 0.000 0.496 456 L N 0.357 121.545 121.223 -0.058 0.000 2.313 456 L HA 0.319 4.659 4.340 -0.000 0.000 0.268 456 L C -0.921 175.927 176.870 -0.036 0.000 1.010 456 L CA -0.533 54.284 54.840 -0.038 0.000 0.814 456 L CB 1.854 43.861 42.059 -0.085 0.000 1.304 456 L HN -0.094 nan 8.230 nan 0.000 0.441 457 E N 3.618 123.818 120.200 0.000 0.000 2.167 457 E HA 0.207 4.557 4.350 -0.000 0.000 0.284 457 E C -1.752 174.849 176.600 0.001 0.000 1.016 457 E CA -1.572 54.831 56.400 0.006 0.000 0.817 457 E CB 1.209 30.928 29.700 0.031 0.000 1.080 457 E HN 0.453 nan 8.360 nan 0.000 0.397 458 P HA -0.287 nan 4.420 nan 0.000 0.221 458 P C 1.293 178.596 177.300 0.005 0.000 1.153 458 P CA 1.333 64.420 63.100 -0.021 0.000 0.858 458 P CB 0.224 31.914 31.700 -0.018 0.000 0.783 459 S N -1.950 113.765 115.700 0.026 0.000 2.481 459 S HA -0.058 4.412 4.470 -0.000 0.000 0.231 459 S C 1.563 176.206 174.600 0.070 0.000 0.996 459 S CA 0.877 59.103 58.200 0.043 0.000 0.942 459 S CB -0.494 62.733 63.200 0.044 0.000 0.768 459 S HN -0.004 nan 8.310 nan 0.000 0.520 460 K N 1.250 121.702 120.400 0.086 0.000 2.379 460 K HA 0.226 4.546 4.320 -0.000 0.000 0.194 460 K C 1.730 178.412 176.600 0.138 0.000 1.031 460 K CA 0.045 56.428 56.287 0.160 0.000 1.037 460 K CB -0.313 32.329 32.500 0.236 0.000 0.824 460 K HN 0.388 nan 8.250 nan 0.000 0.516 461 I N 1.361 121.956 120.570 0.042 0.000 2.151 461 I HA -0.294 3.876 4.170 -0.000 0.000 0.243 461 I C 1.857 178.018 176.117 0.074 0.000 1.080 461 I CA 1.582 62.880 61.300 -0.003 0.000 1.339 461 I CB -1.761 36.201 38.000 -0.063 0.000 1.039 461 I HN 0.105 nan 8.210 nan 0.000 0.409 462 T N 1.041 115.640 114.554 0.074 0.000 2.607 462 T HA -0.268 4.082 4.350 -0.000 0.000 0.267 462 T C 1.986 176.764 174.700 0.131 0.000 1.049 462 T CA 1.961 64.113 62.100 0.085 0.000 1.162 462 T CB -0.325 68.583 68.868 0.067 0.000 0.863 462 T HN 0.320 nan 8.240 nan 0.000 0.424 463 K N -0.068 120.436 120.400 0.172 0.000 2.152 463 K HA -0.122 4.198 4.320 -0.000 0.000 0.206 463 K C 2.121 178.898 176.600 0.294 0.000 1.048 463 K CA 1.197 57.631 56.287 0.245 0.000 0.933 463 K CB -0.298 32.384 32.500 0.303 0.000 0.721 463 K HN 0.358 nan 8.250 nan 0.000 0.447 464 F N 2.018 121.972 119.950 0.006 0.000 2.146 464 F HA -0.132 4.395 4.527 -0.000 0.000 0.298 464 F C 2.214 177.938 175.800 -0.126 0.000 1.096 464 F CA 1.690 59.501 58.000 -0.315 0.000 1.275 464 F CB -0.265 38.452 39.000 -0.471 0.000 1.008 464 F HN 0.127 nan 8.300 nan 0.000 0.480 465 E N 0.377 120.721 120.200 0.240 0.000 2.033 465 E HA -0.309 4.041 4.350 -0.000 0.000 0.199 465 E C 1.826 178.471 176.600 0.075 0.000 1.011 465 E CA 2.119 58.629 56.400 0.183 0.000 0.815 465 E CB -0.323 29.466 29.700 0.149 0.000 0.755 465 E HN 0.615 nan 8.360 nan 0.000 0.451 466 N N 0.480 119.225 118.700 0.074 0.000 2.084 466 N HA -0.176 4.564 4.740 -0.000 0.000 0.190 466 N C 1.843 177.371 175.510 0.031 0.000 1.030 466 N CA 1.489 54.571 53.050 0.053 0.000 0.849 466 N CB -0.323 38.209 38.487 0.075 0.000 1.012 466 N HN 0.205 nan 8.380 nan 0.000 0.423 467 A N 0.607 123.473 122.820 0.077 0.000 1.902 467 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 467 A C 2.009 179.551 177.584 -0.071 0.000 1.181 467 A CA 1.221 53.355 52.037 0.163 0.000 0.623 467 A CB -0.937 18.338 19.000 0.460 0.000 0.818 467 A HN 0.458 nan 8.150 nan 0.000 0.443 468 F N -0.603 118.868 119.950 -0.798 0.000 2.367 468 F HA 0.057 4.584 4.527 -0.000 0.000 0.298 468 F C 1.613 177.021 175.800 -0.654 0.000 1.094 468 F CA 0.978 58.031 58.000 -1.579 0.000 1.409 468 F CB -0.018 37.750 39.000 -2.054 0.000 1.064 468 F HN 0.165 nan 8.300 nan 0.000 0.528 469 L N 0.513 121.506 121.223 -0.384 0.000 2.068 469 L HA -0.053 4.287 4.340 -0.000 0.000 0.204 469 L C 2.853 179.586 176.870 -0.229 0.000 1.076 469 L CA 2.105 56.762 54.840 -0.304 0.000 0.753 469 L CB -1.289 40.715 42.059 -0.092 0.000 0.910 469 L HN 0.346 nan 8.230 nan 0.000 0.439 470 S N -1.566 114.065 115.700 -0.115 0.000 2.383 470 S HA -0.314 4.156 4.470 -0.000 0.000 0.229 470 S C 2.206 176.780 174.600 -0.044 0.000 1.030 470 S CA 1.426 59.595 58.200 -0.051 0.000 1.002 470 S CB -1.028 62.179 63.200 0.012 0.000 0.829 470 S HN 0.676 nan 8.310 nan 0.000 0.467 471 H N 1.655 120.634 119.070 -0.152 0.000 2.265 471 H HA -0.112 4.444 4.556 -0.000 0.000 0.295 471 H C 2.353 177.609 175.328 -0.120 0.000 1.084 471 H CA 2.645 58.638 56.048 -0.092 0.000 1.261 471 H CB -0.464 29.256 29.762 -0.070 0.000 1.360 471 H HN 0.491 nan 8.280 nan 0.000 0.487 472 V N -0.714 119.020 119.914 -0.300 0.000 3.141 472 V HA -0.054 4.066 4.120 -0.000 0.000 0.265 472 V C 2.381 178.378 176.094 -0.160 0.000 1.126 472 V CA 1.232 63.374 62.300 -0.263 0.000 1.141 472 V CB -0.692 30.844 31.823 -0.478 0.000 0.743 472 V HN 0.303 nan 8.190 nan 0.000 0.492 473 I N 1.110 121.580 120.570 -0.167 0.000 2.400 473 I HA -0.093 4.077 4.170 -0.000 0.000 0.248 473 I C 2.827 178.883 176.117 -0.102 0.000 1.109 473 I CA 1.526 62.755 61.300 -0.119 0.000 1.425 473 I CB -0.294 37.645 38.000 -0.102 0.000 1.094 473 I HN 0.460 nan 8.210 nan 0.000 0.425 474 S N 0.438 116.075 115.700 -0.106 0.000 2.336 474 S HA -0.191 4.279 4.470 -0.000 0.000 0.214 474 S C 2.098 176.611 174.600 -0.145 0.000 1.032 474 S CA 1.132 59.270 58.200 -0.103 0.000 1.001 474 S CB -0.193 62.958 63.200 -0.081 0.000 0.953 474 S HN 0.291 nan 8.310 nan 0.000 0.430 475 Q N 0.423 120.101 119.800 -0.203 0.000 2.083 475 Q HA 0.016 4.356 4.340 -0.000 0.000 0.198 475 Q C 0.516 176.229 176.000 -0.479 0.000 0.969 475 Q CA 1.340 56.943 55.803 -0.334 0.000 0.838 475 Q CB -0.494 27.991 28.738 -0.422 0.000 0.900 475 Q HN 0.791 nan 8.270 nan 0.000 0.436 476 H N 0.304 119.244 119.070 -0.217 0.000 2.476 476 H HA 0.215 4.771 4.556 -0.000 0.000 0.256 476 H C 0.849 176.093 175.328 -0.140 0.000 1.321 476 H CA -0.158 55.789 56.048 -0.167 0.000 1.056 476 H CB 0.375 30.028 29.762 -0.181 0.000 1.643 476 H HN 0.084 nan 8.280 nan 0.000 0.541 477 Q N 0.434 120.191 119.800 -0.071 0.000 2.364 477 Q HA -0.074 4.266 4.340 -0.000 0.000 0.209 477 Q C 2.077 178.048 176.000 -0.049 0.000 0.977 477 Q CA 0.905 56.670 55.803 -0.062 0.000 0.885 477 Q CB 0.152 28.846 28.738 -0.074 0.000 0.941 477 Q HN 0.647 nan 8.270 nan 0.000 0.464 478 A N 1.024 123.816 122.820 -0.046 0.000 1.933 478 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 478 A C 1.963 179.536 177.584 -0.019 0.000 1.175 478 A CA 0.898 52.913 52.037 -0.036 0.000 0.628 478 A CB -0.378 18.595 19.000 -0.045 0.000 0.814 478 A HN 0.355 nan 8.150 nan 0.000 0.444 479 L N -0.583 120.639 121.223 -0.002 0.000 2.168 479 L HA 0.070 4.410 4.340 -0.000 0.000 0.203 479 L C 2.233 179.080 176.870 -0.038 0.000 1.078 479 L CA 1.205 56.035 54.840 -0.018 0.000 0.780 479 L CB -0.772 41.276 42.059 -0.020 0.000 0.939 479 L HN 0.404 nan 8.230 nan 0.000 0.451 480 L N 0.450 121.646 121.223 -0.044 0.000 1.971 480 L HA -0.189 4.151 4.340 -0.000 0.000 0.215 480 L C 2.715 179.559 176.870 -0.044 0.000 1.072 480 L CA 1.716 56.524 54.840 -0.054 0.000 0.758 480 L CB -1.574 40.446 42.059 -0.065 0.000 0.889 480 L HN 0.371 nan 8.230 nan 0.000 0.433 481 G N 0.363 109.138 108.800 -0.042 0.000 2.503 481 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.221 481 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.221 481 G C 1.586 176.470 174.900 -0.028 0.000 1.131 481 G CA 1.296 46.374 45.100 -0.037 0.000 0.756 481 G HN 0.448 nan 8.290 nan 0.000 0.572 482 K N 0.269 120.653 120.400 -0.025 0.000 1.985 482 K HA 0.067 4.387 4.320 -0.000 0.000 0.210 482 K C 2.361 178.952 176.600 -0.016 0.000 1.047 482 K CA 1.114 57.390 56.287 -0.018 0.000 0.932 482 K CB -0.459 32.031 32.500 -0.017 0.000 0.716 482 K HN 0.290 nan 8.250 nan 0.000 0.439 483 I N 1.586 122.143 120.570 -0.021 0.000 2.091 483 I HA -0.390 3.780 4.170 -0.000 0.000 0.240 483 I C 2.963 179.075 176.117 -0.008 0.000 1.046 483 I CA 1.592 62.883 61.300 -0.016 0.000 1.306 483 I CB -0.363 37.621 38.000 -0.026 0.000 1.018 483 I HN 0.282 nan 8.210 nan 0.000 0.404 484 R N 0.518 121.009 120.500 -0.015 0.000 2.083 484 R HA -0.176 4.164 4.340 -0.000 0.000 0.237 484 R C 2.142 178.440 176.300 -0.004 0.000 1.137 484 R CA 2.552 58.645 56.100 -0.011 0.000 0.951 484 R CB -0.872 29.412 30.300 -0.026 0.000 0.851 484 R HN 0.299 nan 8.270 nan 0.000 0.434 485 T N 1.273 115.822 114.554 -0.009 0.000 2.698 485 T HA -0.083 4.267 4.350 -0.000 0.000 0.260 485 T C 1.196 175.897 174.700 0.001 0.000 1.044 485 T CA 1.612 63.709 62.100 -0.004 0.000 1.149 485 T CB -0.405 68.458 68.868 -0.009 0.000 0.864 485 T HN 0.309 nan 8.240 nan 0.000 0.419 486 D N 0.400 120.800 120.400 -0.000 0.000 2.126 486 D HA -0.042 4.598 4.640 -0.000 0.000 0.190 486 D C 1.714 178.019 176.300 0.008 0.000 1.001 486 D CA 1.877 55.880 54.000 0.004 0.000 0.841 486 D CB -0.555 40.247 40.800 0.004 0.000 0.949 486 D HN 0.572 nan 8.370 nan 0.000 0.446 487 G N -0.333 108.473 108.800 0.009 0.000 2.175 487 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.244 487 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.244 487 G C 0.396 175.306 174.900 0.017 0.000 0.982 487 G CA 0.545 45.654 45.100 0.014 0.000 0.641 487 G HN 0.571 nan 8.290 nan 0.000 0.527 488 K N -0.672 119.738 120.400 0.016 0.000 2.430 488 K HA 0.782 5.102 4.320 -0.000 0.000 0.268 488 K C -1.027 175.587 176.600 0.023 0.000 1.043 488 K CA -1.246 55.055 56.287 0.022 0.000 0.899 488 K CB 1.236 33.748 32.500 0.020 0.000 1.472 488 K HN 0.065 nan 8.250 nan 0.000 0.451 489 I N 3.021 123.612 120.570 0.034 0.000 2.412 489 I HA 0.140 4.310 4.170 -0.000 0.000 0.279 489 I C -0.189 175.950 176.117 0.037 0.000 1.063 489 I CA -0.551 60.770 61.300 0.037 0.000 1.193 489 I CB 1.396 39.436 38.000 0.067 0.000 1.370 489 I HN 0.546 nan 8.210 nan 0.000 0.479 490 S N 3.600 119.314 115.700 0.022 0.000 2.589 490 S HA 0.156 4.626 4.470 -0.000 0.000 0.265 490 S C 1.128 175.745 174.600 0.028 0.000 1.342 490 S CA -0.696 57.518 58.200 0.023 0.000 1.005 490 S CB 1.152 64.360 63.200 0.014 0.000 0.909 490 S HN 0.566 nan 8.310 nan 0.000 0.555 491 E N 0.562 120.780 120.200 0.030 0.000 2.130 491 E HA -0.221 4.129 4.350 -0.000 0.000 0.196 491 E C 1.799 178.417 176.600 0.030 0.000 0.998 491 E CA 1.164 57.586 56.400 0.035 0.000 0.806 491 E CB -0.065 29.654 29.700 0.031 0.000 0.738 491 E HN 0.675 nan 8.360 nan 0.000 0.459 492 E N 0.545 120.757 120.200 0.019 0.000 2.046 492 E HA -0.079 4.271 4.350 -0.000 0.000 0.190 492 E C 2.198 178.799 176.600 0.001 0.000 0.982 492 E CA 0.587 56.995 56.400 0.013 0.000 0.800 492 E CB 0.042 29.747 29.700 0.009 0.000 0.756 492 E HN 0.009 nan 8.360 nan 0.000 0.449 493 S N 1.007 116.703 115.700 -0.006 0.000 2.359 493 S HA -0.208 4.262 4.470 -0.000 0.000 0.224 493 S C 1.670 176.237 174.600 -0.056 0.000 1.035 493 S CA 1.675 59.857 58.200 -0.031 0.000 1.018 493 S CB -0.367 62.817 63.200 -0.026 0.000 0.876 493 S HN 0.402 nan 8.310 nan 0.000 0.448 494 D N 1.171 121.565 120.400 -0.011 0.000 2.117 494 D HA -0.029 4.611 4.640 -0.000 0.000 0.198 494 D C 1.941 178.256 176.300 0.026 0.000 0.982 494 D CA 1.249 55.260 54.000 0.019 0.000 0.828 494 D CB -0.305 40.570 40.800 0.124 0.000 0.967 494 D HN 0.306 nan 8.370 nan 0.000 0.464 495 A N 0.465 123.306 122.820 0.035 0.000 1.877 495 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 495 A C 2.178 179.768 177.584 0.009 0.000 1.186 495 A CA 1.892 53.954 52.037 0.043 0.000 0.620 495 A CB -0.758 18.264 19.000 0.038 0.000 0.822 495 A HN 0.291 nan 8.150 nan 0.000 0.443 496 K N -0.923 119.464 120.400 -0.021 0.000 2.057 496 K HA -0.122 4.198 4.320 -0.000 0.000 0.207 496 K C 1.896 178.434 176.600 -0.104 0.000 1.049 496 K CA 1.449 57.712 56.287 -0.040 0.000 0.931 496 K CB -0.291 32.188 32.500 -0.034 0.000 0.714 496 K HN 0.299 nan 8.250 nan 0.000 0.440 497 L N 2.031 123.145 121.223 -0.182 0.000 2.017 497 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 497 L C 2.366 179.058 176.870 -0.298 0.000 1.073 497 L CA 1.865 56.502 54.840 -0.339 0.000 0.745 497 L CB -0.586 41.104 42.059 -0.615 0.000 0.894 497 L HN 0.175 nan 8.230 nan 0.000 0.432 498 K N -0.538 119.766 120.400 -0.160 0.000 2.059 498 K HA -0.303 4.017 4.320 -0.000 0.000 0.212 498 K C 2.144 178.700 176.600 -0.075 0.000 1.050 498 K CA 2.233 58.508 56.287 -0.020 0.000 0.927 498 K CB -0.287 32.328 32.500 0.193 0.000 0.714 498 K HN 0.504 nan 8.250 nan 0.000 0.447 499 E N 0.317 120.506 120.200 -0.019 0.000 2.106 499 E HA -0.161 4.189 4.350 -0.000 0.000 0.192 499 E C 2.087 178.690 176.600 0.004 0.000 0.984 499 E CA 1.133 57.542 56.400 0.014 0.000 0.806 499 E CB -0.064 29.654 29.700 0.030 0.000 0.750 499 E HN 0.401 nan 8.360 nan 0.000 0.458 500 I N 0.857 121.398 120.570 -0.048 0.000 2.208 500 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 500 I C 2.549 178.723 176.117 0.096 0.000 1.097 500 I CA 1.118 62.396 61.300 -0.036 0.000 1.363 500 I CB -0.386 37.474 38.000 -0.233 0.000 1.051 500 I HN 0.137 nan 8.210 nan 0.000 0.413 501 V N -2.691 117.220 119.914 -0.005 0.000 2.453 501 V HA -0.185 3.935 4.120 -0.000 0.000 0.247 501 V C 2.307 178.435 176.094 0.057 0.000 1.048 501 V CA 2.013 64.321 62.300 0.014 0.000 1.049 501 V CB -1.445 30.126 31.823 -0.420 0.000 0.672 501 V HN 0.324 nan 8.190 nan 0.000 0.457 502 T N 1.717 116.259 114.554 -0.021 0.000 2.570 502 T HA -0.259 4.091 4.350 -0.000 0.000 0.266 502 T C 1.773 176.557 174.700 0.140 0.000 1.071 502 T CA 2.878 65.036 62.100 0.098 0.000 1.172 502 T CB -0.679 68.246 68.868 0.094 0.000 0.864 502 T HN 0.741 nan 8.240 nan 0.000 0.421 503 N N 0.091 118.870 118.700 0.132 0.000 2.058 503 N HA -0.037 4.703 4.740 -0.000 0.000 0.191 503 N C 1.695 177.285 175.510 0.134 0.000 1.037 503 N CA 1.068 54.194 53.050 0.126 0.000 0.848 503 N CB -0.350 38.212 38.487 0.126 0.000 1.021 503 N HN 0.248 nan 8.380 nan 0.000 0.422 504 F N 1.892 121.866 119.950 0.041 0.000 2.115 504 F HA -0.240 4.287 4.527 -0.000 0.000 0.300 504 F C 2.009 177.845 175.800 0.061 0.000 1.092 504 F CA 1.196 59.167 58.000 -0.049 0.000 1.245 504 F CB -0.202 38.752 39.000 -0.077 0.000 0.995 504 F HN 0.020 nan 8.300 nan 0.000 0.481 505 L N 0.513 121.940 121.223 0.340 0.000 1.956 505 L HA -0.243 4.097 4.340 -0.000 0.000 0.216 505 L C 2.789 179.765 176.870 0.177 0.000 1.073 505 L CA 2.203 57.238 54.840 0.324 0.000 0.762 505 L CB -2.050 40.179 42.059 0.283 0.000 0.889 505 L HN 0.294 nan 8.230 nan 0.000 0.433 506 A N -0.836 122.057 122.820 0.122 0.000 2.093 506 A HA -0.173 4.147 4.320 -0.000 0.000 0.222 506 A C 2.099 179.696 177.584 0.020 0.000 1.162 506 A CA 1.858 53.938 52.037 0.072 0.000 0.655 506 A CB -0.916 18.123 19.000 0.065 0.000 0.805 506 A HN 0.563 nan 8.150 nan 0.000 0.461 507 G N -2.791 105.981 108.800 -0.046 0.000 3.044 507 G HA2 0.326 4.286 3.960 -0.000 0.000 0.223 507 G HA3 0.326 4.286 3.960 -0.000 0.000 0.223 507 G C 0.149 174.959 174.900 -0.150 0.000 1.123 507 G CA -0.342 44.688 45.100 -0.116 0.000 0.765 507 G HN 0.291 nan 8.290 nan 0.000 0.546 508 F N 2.433 122.222 119.950 -0.268 0.000 2.571 508 F HA 0.343 4.870 4.527 -0.000 0.000 0.384 508 F C 0.621 176.375 175.800 -0.077 0.000 1.058 508 F CA -1.192 56.682 58.000 -0.210 0.000 1.200 508 F CB 0.863 39.852 39.000 -0.017 0.000 1.077 508 F HN 0.067 nan 8.300 nan 0.000 0.558 509 E N 5.364 125.129 120.200 -0.725 0.000 2.259 509 E HA 0.491 4.841 4.350 -0.000 0.000 0.281 509 E C -0.306 175.951 176.600 -0.572 0.000 1.037 509 E CA -0.453 55.648 56.400 -0.498 0.000 0.854 509 E CB 0.974 30.443 29.700 -0.385 0.000 1.051 509 E HN 0.732 nan 8.360 nan 0.000 0.409 510 A N 0.000 122.692 122.820 -0.214 0.000 2.254 510 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 510 A CA 0.000 51.995 52.037 -0.069 0.000 0.836 510 A CB 0.000 18.999 19.000 -0.002 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486