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 3oee_1_X DATA FIRST_RESID 7 DATA SEQUENCE TPITGKVTAV IGAIVDVHFE QSELPAILNA LEIKTPQGKL VLEVAQHLGE DATA SEQUENCE NTVRTIAMDG TEGLVRGEKV LDTGGPISVP VGRETLGRII NVIGEPIDER DATA SEQUENCE GPIKSKLRKP IHADPPSFAE QSTSAEILET GIKVVDLLAP YARGGKIGLF DATA SEQUENCE GGAGVGKTVF IQELINNIAK AHGGFSVFTG VGERTREGND LYREMKETGV DATA SEQUENCE INLEGESKVA LVFGQMNEPP GARARVALTG LTIAEYFRDE EGQDVLLFID DATA SEQUENCE NIFRFTQAGS EVSALLGRIP SAVGYQPTLA TDMGLLQERI TTTKKGSVTS DATA SEQUENCE VQAVYVPADD LTDPAPATTF AHLDATTVLS RGISELGIYP AVDPLDSKSR DATA SEQUENCE LLDAAVVGQE HYDVASKVQE TLQTYKSLQD IIAILGMDEL SEQDKLTVER DATA SEQUENCE ARKIQRFLSQ PFAVAEVFTG IPGKLVRLKD TVASFKAVLE GKYDNIPEHA DATA SEQUENCE FYMVGGIEDV VAKAEKLAA 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 7 T HA 0.000 nan 4.350 nan 0.000 0.228 7 T C 0.000 174.713 174.700 0.021 0.000 1.109 7 T CA 0.000 62.109 62.100 0.014 0.000 1.349 7 T CB 0.000 68.876 68.868 0.013 0.000 0.612 8 P HA 0.538 nan 4.420 nan 0.000 0.279 8 P C -0.247 177.081 177.300 0.046 0.000 1.239 8 P CA -0.697 62.422 63.100 0.032 0.000 0.789 8 P CB 0.611 32.326 31.700 0.025 0.000 0.933 9 I N 2.012 122.630 120.570 0.080 0.000 2.517 9 I HA 0.104 4.274 4.170 -0.000 0.000 0.285 9 I C 1.246 177.432 176.117 0.115 0.000 1.106 9 I CA 0.016 61.399 61.300 0.138 0.000 1.402 9 I CB 0.165 38.300 38.000 0.224 0.000 1.399 9 I HN 0.484 nan 8.210 nan 0.000 0.535 10 T N 2.318 116.871 114.554 -0.002 0.000 2.940 10 T HA 0.879 5.229 4.350 -0.000 0.000 0.288 10 T C -0.107 174.261 174.700 -0.554 0.000 1.045 10 T CA -0.851 61.149 62.100 -0.168 0.000 1.018 10 T CB 2.125 70.928 68.868 -0.109 0.000 1.151 10 T HN 0.778 nan 8.240 nan 0.000 0.529 11 G N 0.054 108.526 108.800 -0.546 0.000 2.690 11 G HA2 0.605 4.565 3.960 -0.000 0.000 0.293 11 G HA3 0.605 4.565 3.960 -0.000 0.000 0.293 11 G C -1.669 173.058 174.900 -0.287 0.000 1.399 11 G CA -1.109 43.587 45.100 -0.674 0.000 0.890 11 G HN 0.754 nan 8.290 nan 0.000 0.485 12 K N 0.603 120.898 120.400 -0.176 0.000 2.185 12 K HA 0.459 4.779 4.320 -0.000 0.000 0.269 12 K C -0.293 176.278 176.600 -0.049 0.000 0.987 12 K CA -0.704 55.529 56.287 -0.090 0.000 0.865 12 K CB 2.658 35.110 32.500 -0.081 0.000 1.090 12 K HN 0.213 nan 8.250 nan 0.000 0.450 13 V N 3.749 123.637 119.914 -0.042 0.000 2.425 13 V HA -0.076 4.044 4.120 -0.000 0.000 0.276 13 V C 1.406 177.495 176.094 -0.008 0.000 1.017 13 V CA 0.668 62.958 62.300 -0.017 0.000 1.062 13 V CB 0.177 31.991 31.823 -0.016 0.000 0.997 13 V HN 1.010 nan 8.190 nan 0.000 0.476 14 T N 1.736 116.299 114.554 0.014 0.000 3.042 14 T HA 0.476 4.826 4.350 -0.000 0.000 0.245 14 T C 0.562 175.270 174.700 0.015 0.000 1.029 14 T CA 0.519 62.628 62.100 0.015 0.000 1.120 14 T CB 0.499 69.399 68.868 0.053 0.000 0.917 14 T HN 0.856 nan 8.240 nan 0.000 0.467 15 A N 0.826 123.658 122.820 0.022 0.000 2.455 15 A HA 0.706 5.026 4.320 -0.000 0.000 0.300 15 A C -1.312 176.282 177.584 0.017 0.000 1.040 15 A CA -0.679 51.369 52.037 0.018 0.000 0.697 15 A CB 1.989 21.003 19.000 0.023 0.000 1.265 15 A HN 0.228 nan 8.150 nan 0.000 0.407 16 V N 3.203 123.124 119.914 0.012 0.000 2.407 16 V HA 0.493 4.613 4.120 -0.000 0.000 0.291 16 V C -0.729 175.372 176.094 0.010 0.000 1.018 16 V CA -0.068 62.239 62.300 0.011 0.000 0.842 16 V CB 1.090 32.917 31.823 0.007 0.000 0.996 16 V HN 0.698 nan 8.190 nan 0.000 0.426 17 I N 4.609 125.186 120.570 0.012 0.000 2.521 17 I HA 0.619 4.788 4.170 -0.000 0.000 0.277 17 I C 1.062 177.185 176.117 0.010 0.000 1.054 17 I CA -0.063 61.244 61.300 0.010 0.000 1.117 17 I CB 1.238 39.245 38.000 0.011 0.000 1.217 17 I HN 0.791 nan 8.210 nan 0.000 0.469 18 G N 4.599 113.404 108.800 0.008 0.000 2.646 18 G HA2 -0.415 3.545 3.960 -0.000 0.000 0.324 18 G HA3 -0.415 3.545 3.960 -0.000 0.000 0.324 18 G C 1.022 175.927 174.900 0.008 0.000 1.195 18 G CA 0.852 45.956 45.100 0.007 0.000 0.976 18 G HN 0.755 nan 8.290 nan 0.000 0.546 19 A N -0.658 122.166 122.820 0.008 0.000 2.021 19 A HA 0.508 4.828 4.320 -0.000 0.000 0.216 19 A C 1.215 178.807 177.584 0.013 0.000 1.163 19 A CA 1.313 53.355 52.037 0.009 0.000 0.676 19 A CB 0.009 19.012 19.000 0.005 0.000 0.818 19 A HN 0.621 nan 8.150 nan 0.000 0.453 20 I N 1.605 122.183 120.570 0.013 0.000 2.352 20 I HA 0.289 4.459 4.170 -0.000 0.000 0.290 20 I C -0.390 175.739 176.117 0.021 0.000 1.036 20 I CA -0.375 60.935 61.300 0.018 0.000 1.336 20 I CB 0.755 38.765 38.000 0.016 0.000 1.407 20 I HN -0.063 nan 8.210 nan 0.000 0.497 21 V N 5.935 125.864 119.914 0.026 0.000 2.769 21 V HA 0.490 4.610 4.120 -0.000 0.000 0.312 21 V C -0.647 175.470 176.094 0.038 0.000 1.061 21 V CA -0.902 61.415 62.300 0.028 0.000 0.931 21 V CB 2.542 34.380 31.823 0.026 0.000 1.010 21 V HN 0.552 nan 8.190 nan 0.000 0.433 22 D N 1.400 121.823 120.400 0.038 0.000 2.248 22 D HA 0.683 5.323 4.640 -0.000 0.000 0.246 22 D C -0.944 175.390 176.300 0.057 0.000 1.027 22 D CA -0.130 53.901 54.000 0.051 0.000 0.853 22 D CB 2.186 43.016 40.800 0.049 0.000 1.243 22 D HN 0.318 nan 8.370 nan 0.000 0.462 23 V N 2.083 122.047 119.914 0.084 0.000 2.482 23 V HA 0.214 4.334 4.120 -0.000 0.000 0.295 23 V C -0.465 175.703 176.094 0.124 0.000 1.026 23 V CA -0.845 61.502 62.300 0.078 0.000 0.856 23 V CB 1.417 33.301 31.823 0.102 0.000 1.001 23 V HN 0.580 nan 8.190 nan 0.000 0.424 24 H N 3.968 123.015 119.070 -0.038 0.000 2.707 24 H HA 0.537 5.093 4.556 -0.000 0.000 0.359 24 H C -1.355 173.896 175.328 -0.129 0.000 1.113 24 H CA 0.282 56.320 56.048 -0.016 0.000 1.422 24 H CB 0.655 30.388 29.762 -0.048 0.000 1.443 24 H HN 0.473 nan 8.280 nan 0.000 0.591 25 F N 2.737 122.444 119.950 -0.404 0.000 2.518 25 F HA 0.180 4.707 4.527 -0.000 0.000 0.323 25 F C 0.892 176.580 175.800 -0.187 0.000 1.129 25 F CA -0.660 57.218 58.000 -0.202 0.000 0.920 25 F CB 2.003 40.893 39.000 -0.183 0.000 1.160 25 F HN 0.647 nan 8.300 nan 0.000 0.440 26 E N 1.855 122.116 120.200 0.101 0.000 2.208 26 E HA -0.092 4.258 4.350 -0.000 0.000 0.193 26 E C 0.394 177.048 176.600 0.090 0.000 0.988 26 E CA 0.757 57.232 56.400 0.126 0.000 0.828 26 E CB 0.021 29.774 29.700 0.087 0.000 0.763 26 E HN 0.807 nan 8.360 nan 0.000 0.478 27 Q N -0.992 118.861 119.800 0.089 0.000 3.252 27 Q HA 0.456 4.796 4.340 -0.000 0.000 0.324 27 Q C 1.159 177.183 176.000 0.040 0.000 0.963 27 Q CA -0.462 55.377 55.803 0.059 0.000 0.820 27 Q CB 0.641 29.411 28.738 0.054 0.000 1.497 27 Q HN -0.140 nan 8.270 nan 0.000 0.484 28 S N 0.146 115.860 115.700 0.024 0.000 2.436 28 S HA -0.135 4.335 4.470 -0.000 0.000 0.208 28 S C 0.040 174.630 174.600 -0.017 0.000 1.063 28 S CA 1.314 59.516 58.200 0.003 0.000 1.120 28 S CB -0.678 62.525 63.200 0.004 0.000 1.053 28 S HN 0.528 nan 8.310 nan 0.000 0.407 29 E N 1.445 121.636 120.200 -0.014 0.000 2.757 29 E HA 0.122 4.472 4.350 -0.000 0.000 0.238 29 E C -0.913 175.623 176.600 -0.106 0.000 1.057 29 E CA 0.117 56.493 56.400 -0.040 0.000 0.952 29 E CB -0.152 29.536 29.700 -0.020 0.000 0.934 29 E HN 0.264 nan 8.360 nan 0.000 0.518 30 L N 6.242 127.365 121.223 -0.165 0.000 2.375 30 L HA 0.310 4.650 4.340 -0.000 0.000 0.271 30 L C -1.767 174.903 176.870 -0.332 0.000 1.107 30 L CA -1.772 52.846 54.840 -0.370 0.000 0.806 30 L CB 0.221 42.075 42.059 -0.341 0.000 1.146 30 L HN 0.440 nan 8.230 nan 0.000 0.447 31 P HA 0.156 nan 4.420 nan 0.000 0.271 31 P C -0.829 176.433 177.300 -0.063 0.000 1.226 31 P CA -0.417 62.506 63.100 -0.294 0.000 0.765 31 P CB 0.925 32.390 31.700 -0.391 0.000 0.835 32 A N 5.090 127.904 122.820 -0.010 0.000 2.520 32 A HA 0.142 4.462 4.320 -0.000 0.000 0.245 32 A C 0.766 178.362 177.584 0.021 0.000 1.072 32 A CA -0.390 51.657 52.037 0.016 0.000 0.761 32 A CB -0.527 18.459 19.000 -0.023 0.000 1.004 32 A HN 0.589 nan 8.150 nan 0.000 0.499 33 I N 1.532 122.083 120.570 -0.031 0.000 2.880 33 I HA -0.126 4.044 4.170 -0.000 0.000 0.296 33 I C 0.666 176.745 176.117 -0.064 0.000 1.220 33 I CA 0.970 62.239 61.300 -0.052 0.000 1.435 33 I CB 0.148 38.037 38.000 -0.185 0.000 1.339 33 I HN 0.779 nan 8.210 nan 0.000 0.583 34 L N 2.410 123.605 121.223 -0.047 0.000 4.639 34 L HA -0.236 4.104 4.340 -0.000 0.000 0.402 34 L C -0.151 176.723 176.870 0.007 0.000 1.069 34 L CA -0.135 54.667 54.840 -0.062 0.000 1.105 34 L CB -1.906 40.028 42.059 -0.208 0.000 2.122 34 L HN 0.687 nan 8.230 nan 0.000 0.662 35 N N 0.713 119.425 118.700 0.021 0.000 2.445 35 N HA 0.653 5.393 4.740 -0.000 0.000 0.264 35 N C 0.244 175.784 175.510 0.050 0.000 1.227 35 N CA 0.506 53.577 53.050 0.035 0.000 0.963 35 N CB 0.889 39.393 38.487 0.028 0.000 1.188 35 N HN 0.264 nan 8.380 nan 0.000 0.491 36 A N 1.312 124.162 122.820 0.049 0.000 2.260 36 A HA 0.543 4.863 4.320 -0.000 0.000 0.314 36 A C -0.363 177.255 177.584 0.055 0.000 1.257 36 A CA -0.563 51.504 52.037 0.051 0.000 0.871 36 A CB -0.092 18.933 19.000 0.041 0.000 1.166 36 A HN 0.562 nan 8.150 nan 0.000 0.522 37 L N 1.580 122.840 121.223 0.062 0.000 2.352 37 L HA 0.587 4.927 4.340 -0.000 0.000 0.269 37 L C 0.019 176.916 176.870 0.046 0.000 1.034 37 L CA -0.494 54.387 54.840 0.068 0.000 0.806 37 L CB 1.548 43.661 42.059 0.089 0.000 1.244 37 L HN 0.723 nan 8.230 nan 0.000 0.447 38 E N 2.337 122.559 120.200 0.037 0.000 2.283 38 E HA 0.442 4.792 4.350 -0.000 0.000 0.258 38 E C -1.267 175.340 176.600 0.012 0.000 0.893 38 E CA -0.240 56.174 56.400 0.023 0.000 0.798 38 E CB 2.328 32.040 29.700 0.020 0.000 1.242 38 E HN 0.399 nan 8.360 nan 0.000 0.414 39 I N 3.498 124.073 120.570 0.009 0.000 2.307 39 I HA 0.196 4.366 4.170 -0.000 0.000 0.289 39 I C 0.066 176.183 176.117 -0.000 0.000 1.021 39 I CA -0.926 60.374 61.300 0.000 0.000 1.224 39 I CB 0.671 38.670 38.000 -0.000 0.000 1.376 39 I HN 0.141 nan 8.210 nan 0.000 0.470 40 K N 6.089 126.487 120.400 -0.003 0.000 2.237 40 K HA 0.124 4.444 4.320 -0.000 0.000 0.283 40 K C 0.521 177.118 176.600 -0.004 0.000 1.080 40 K CA -0.065 56.220 56.287 -0.003 0.000 0.965 40 K CB 0.141 32.639 32.500 -0.004 0.000 1.098 40 K HN 0.690 nan 8.250 nan 0.000 0.434 41 T N -0.221 114.332 114.554 -0.002 0.000 2.788 41 T HA 0.188 4.538 4.350 -0.000 0.000 0.287 41 T C -1.073 173.626 174.700 -0.003 0.000 1.007 41 T CA -1.351 60.748 62.100 -0.002 0.000 1.005 41 T CB 0.563 69.430 68.868 -0.000 0.000 1.012 41 T HN 0.236 nan 8.240 nan 0.000 0.530 42 P HA -0.094 nan 4.420 nan 0.000 0.221 42 P C 1.171 178.470 177.300 -0.002 0.000 1.145 42 P CA 1.094 64.193 63.100 -0.003 0.000 0.795 42 P CB 0.237 31.935 31.700 -0.003 0.000 0.775 43 Q N -0.157 119.642 119.800 -0.001 0.000 2.389 43 Q HA 0.286 4.626 4.340 -0.000 0.000 0.201 43 Q C 1.235 177.235 176.000 -0.001 0.000 0.956 43 Q CA 1.291 57.094 55.803 -0.001 0.000 0.871 43 Q CB -0.030 28.708 28.738 -0.000 0.000 0.990 43 Q HN 0.179 nan 8.270 nan 0.000 0.554 44 G N -0.214 108.585 108.800 -0.000 0.000 3.137 44 G HA2 0.397 4.357 3.960 -0.000 0.000 0.196 44 G HA3 0.397 4.357 3.960 -0.000 0.000 0.196 44 G C -1.393 173.508 174.900 0.001 0.000 1.135 44 G CA -0.403 44.697 45.100 0.000 0.000 0.803 44 G HN 0.232 nan 8.290 nan 0.000 0.619 45 K N -1.175 119.226 120.400 0.002 0.000 2.139 45 K HA 0.780 5.100 4.320 -0.000 0.000 0.243 45 K C -1.548 175.056 176.600 0.006 0.000 0.983 45 K CA -0.753 55.536 56.287 0.004 0.000 0.890 45 K CB 2.231 34.734 32.500 0.005 0.000 1.090 45 K HN 0.444 nan 8.250 nan 0.000 0.445 46 L N 2.180 123.408 121.223 0.008 0.000 2.442 46 L HA 0.283 4.623 4.340 -0.000 0.000 0.261 46 L C -1.422 175.457 176.870 0.015 0.000 1.000 46 L CA -0.615 54.231 54.840 0.010 0.000 0.882 46 L CB 1.647 43.711 42.059 0.009 0.000 1.207 46 L HN 0.545 nan 8.230 nan 0.000 0.443 47 V N 5.858 125.782 119.914 0.017 0.000 2.585 47 V HA 0.208 4.328 4.120 -0.000 0.000 0.296 47 V C 0.625 176.735 176.094 0.028 0.000 1.035 47 V CA 0.172 62.485 62.300 0.023 0.000 1.084 47 V CB 0.782 32.618 31.823 0.022 0.000 0.953 47 V HN 0.664 nan 8.190 nan 0.000 0.483 48 L N 3.693 124.937 121.223 0.035 0.000 2.299 48 L HA 0.741 5.081 4.340 -0.000 0.000 0.268 48 L C -0.074 176.826 176.870 0.049 0.000 1.012 48 L CA -0.700 54.164 54.840 0.041 0.000 0.816 48 L CB 1.477 43.563 42.059 0.045 0.000 1.355 48 L HN 0.549 nan 8.230 nan 0.000 0.457 49 E N 0.129 120.361 120.200 0.054 0.000 2.274 49 E HA 0.301 4.651 4.350 -0.000 0.000 0.269 49 E C -1.589 175.048 176.600 0.061 0.000 0.891 49 E CA -0.606 55.831 56.400 0.062 0.000 0.784 49 E CB 2.518 32.263 29.700 0.074 0.000 1.225 49 E HN 0.286 nan 8.360 nan 0.000 0.412 50 V N 3.971 123.923 119.914 0.063 0.000 2.493 50 V HA 0.017 4.137 4.120 -0.000 0.000 0.292 50 V C 0.982 177.109 176.094 0.055 0.000 1.016 50 V CA 1.116 63.457 62.300 0.069 0.000 1.097 50 V CB 0.593 32.464 31.823 0.080 0.000 0.947 50 V HN 0.846 nan 8.190 nan 0.000 0.479 51 A N 4.734 127.588 122.820 0.057 0.000 1.909 51 A HA 0.254 4.574 4.320 -0.000 0.000 0.209 51 A C 0.827 178.435 177.584 0.039 0.000 1.247 51 A CA 0.346 52.404 52.037 0.035 0.000 0.660 51 A CB 0.208 19.227 19.000 0.032 0.000 0.910 51 A HN 0.737 nan 8.150 nan 0.000 0.465 52 Q N -0.740 119.108 119.800 0.080 0.000 2.397 52 Q HA 0.435 4.775 4.340 -0.000 0.000 0.275 52 Q C -1.610 174.523 176.000 0.221 0.000 1.090 52 Q CA -0.480 55.380 55.803 0.095 0.000 0.809 52 Q CB 2.101 30.872 28.738 0.055 0.000 1.362 52 Q HN 0.660 nan 8.270 nan 0.000 0.431 53 H N 2.298 121.348 119.070 -0.033 0.000 2.597 53 H HA 0.232 4.788 4.556 -0.000 0.000 0.303 53 H C 0.398 175.712 175.328 -0.023 0.000 1.057 53 H CA -0.289 55.736 56.048 -0.039 0.000 1.261 53 H CB 1.072 30.797 29.762 -0.061 0.000 1.397 53 H HN 0.453 nan 8.280 nan 0.000 0.461 54 L N 2.791 124.061 121.223 0.077 0.000 2.558 54 L HA 0.183 4.523 4.340 -0.000 0.000 0.225 54 L C 1.251 178.142 176.870 0.034 0.000 1.128 54 L CA 0.396 55.265 54.840 0.048 0.000 0.868 54 L CB 0.015 42.097 42.059 0.038 0.000 1.006 54 L HN 0.903 nan 8.230 nan 0.000 0.454 55 G N 0.278 109.094 108.800 0.026 0.000 2.566 55 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.599 55 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.599 55 G C 0.092 174.987 174.900 -0.008 0.000 1.292 55 G CA -0.379 44.727 45.100 0.011 0.000 0.922 55 G HN 0.311 nan 8.290 nan 0.000 0.514 56 E N -0.459 119.738 120.200 -0.006 0.000 2.604 56 E HA -0.313 4.037 4.350 -0.000 0.000 0.255 56 E C 1.013 177.567 176.600 -0.076 0.000 1.164 56 E CA 0.915 57.312 56.400 -0.006 0.000 0.737 56 E CB -0.914 28.806 29.700 0.034 0.000 1.317 56 E HN 1.185 nan 8.360 nan 0.000 0.417 57 N N -2.113 116.525 118.700 -0.104 0.000 2.815 57 N HA -0.154 4.586 4.740 -0.000 0.000 0.247 57 N C -0.706 174.701 175.510 -0.171 0.000 1.030 57 N CA 1.968 54.915 53.050 -0.171 0.000 0.881 57 N CB -1.388 36.972 38.487 -0.212 0.000 1.134 57 N HN 0.320 nan 8.380 nan 0.000 0.582 58 T N 0.622 115.113 114.554 -0.105 0.000 2.780 58 T HA 0.506 4.856 4.350 -0.000 0.000 0.294 58 T C 0.628 175.319 174.700 -0.015 0.000 0.949 58 T CA -0.501 61.593 62.100 -0.010 0.000 1.074 58 T CB 1.495 70.394 68.868 0.052 0.000 0.910 58 T HN 0.175 nan 8.240 nan 0.000 0.501 59 V N 2.135 122.065 119.914 0.027 0.000 2.513 59 V HA 0.666 4.786 4.120 -0.000 0.000 0.299 59 V C 0.045 176.172 176.094 0.056 0.000 1.035 59 V CA -1.384 60.908 62.300 -0.012 0.000 0.889 59 V CB 1.499 33.247 31.823 -0.125 0.000 0.988 59 V HN 0.788 nan 8.190 nan 0.000 0.440 60 R N 2.362 122.897 120.500 0.058 0.000 2.459 60 R HA 0.721 5.061 4.340 -0.000 0.000 0.281 60 R C -0.074 176.264 176.300 0.063 0.000 1.050 60 R CA 0.260 56.394 56.100 0.058 0.000 1.055 60 R CB 1.344 31.674 30.300 0.050 0.000 1.045 60 R HN 1.104 nan 8.270 nan 0.000 0.495 61 T N 0.745 115.331 114.554 0.054 0.000 2.901 61 T HA 0.541 4.891 4.350 -0.000 0.000 0.293 61 T C -0.158 174.566 174.700 0.040 0.000 1.084 61 T CA -0.876 61.255 62.100 0.053 0.000 1.008 61 T CB 1.338 70.241 68.868 0.058 0.000 1.170 61 T HN 0.436 nan 8.240 nan 0.000 0.509 62 I N 1.347 121.941 120.570 0.040 0.000 2.411 62 I HA 0.598 4.767 4.170 -0.000 0.000 0.284 62 I C 0.673 176.810 176.117 0.032 0.000 1.012 62 I CA -1.168 60.151 61.300 0.031 0.000 1.119 62 I CB 1.283 39.300 38.000 0.029 0.000 1.261 62 I HN 0.942 nan 8.210 nan 0.000 0.448 63 A N 6.916 129.752 122.820 0.026 0.000 2.366 63 A HA 0.483 4.803 4.320 -0.000 0.000 0.250 63 A C 0.801 178.398 177.584 0.022 0.000 1.099 63 A CA 0.030 52.081 52.037 0.024 0.000 0.794 63 A CB 0.401 19.413 19.000 0.019 0.000 1.056 63 A HN 0.789 nan 8.150 nan 0.000 0.499 64 M N -0.271 119.342 119.600 0.021 0.000 2.306 64 M HA 0.217 4.697 4.480 -0.000 0.000 0.292 64 M C -0.207 176.103 176.300 0.016 0.000 1.018 64 M CA 0.357 55.669 55.300 0.020 0.000 1.007 64 M CB -0.540 32.073 32.600 0.021 0.000 1.510 64 M HN 0.895 nan 8.290 nan 0.000 0.537 65 D N -0.543 119.866 120.400 0.015 0.000 3.455 65 D HA 0.484 5.124 4.640 -0.000 0.000 0.320 65 D C -0.387 175.920 176.300 0.011 0.000 1.401 65 D CA -0.126 53.882 54.000 0.013 0.000 0.982 65 D CB 0.421 41.228 40.800 0.012 0.000 1.397 65 D HN 0.073 nan 8.370 nan 0.000 0.607 66 G N -1.248 107.558 108.800 0.010 0.000 2.527 66 G HA2 0.425 4.385 3.960 -0.000 0.000 0.248 66 G HA3 0.425 4.385 3.960 -0.000 0.000 0.248 66 G C 0.550 175.454 174.900 0.008 0.000 1.231 66 G CA 0.472 45.577 45.100 0.008 0.000 0.838 66 G HN 0.429 nan 8.290 nan 0.000 0.570 67 T N -1.593 112.965 114.554 0.007 0.000 3.129 67 T HA 0.245 4.595 4.350 -0.000 0.000 0.267 67 T C 0.215 174.917 174.700 0.005 0.000 1.018 67 T CA -0.346 61.758 62.100 0.007 0.000 0.903 67 T CB 0.051 68.924 68.868 0.008 0.000 1.067 67 T HN 0.508 nan 8.240 nan 0.000 0.549 68 E N 1.265 121.467 120.200 0.004 0.000 2.360 68 E HA 0.510 4.860 4.350 -0.000 0.000 0.269 68 E C 1.361 177.962 176.600 0.002 0.000 1.022 68 E CA 0.444 56.846 56.400 0.003 0.000 0.887 68 E CB 0.211 29.913 29.700 0.003 0.000 0.990 68 E HN 0.303 nan 8.360 nan 0.000 0.426 69 G N 2.236 111.036 108.800 0.000 0.000 2.241 69 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.244 69 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.244 69 G C 0.092 174.991 174.900 -0.003 0.000 0.998 69 G CA -0.324 44.775 45.100 -0.001 0.000 0.621 69 G HN 0.409 nan 8.290 nan 0.000 0.519 70 L N 1.489 122.711 121.223 -0.002 0.000 2.410 70 L HA 0.497 4.837 4.340 -0.000 0.000 0.273 70 L C 0.587 177.453 176.870 -0.005 0.000 1.152 70 L CA -0.407 54.431 54.840 -0.003 0.000 0.855 70 L CB 1.276 43.335 42.059 -0.001 0.000 1.129 70 L HN 0.017 nan 8.230 nan 0.000 0.463 71 V N 3.923 123.832 119.914 -0.009 0.000 2.667 71 V HA 0.373 4.493 4.120 -0.000 0.000 0.308 71 V C 0.250 176.336 176.094 -0.014 0.000 1.048 71 V CA -0.968 61.325 62.300 -0.011 0.000 0.928 71 V CB 1.908 33.723 31.823 -0.013 0.000 1.004 71 V HN 0.677 nan 8.190 nan 0.000 0.444 72 R N 2.199 122.690 120.500 -0.015 0.000 2.484 72 R HA 0.409 4.749 4.340 -0.000 0.000 0.293 72 R C 1.183 177.465 176.300 -0.029 0.000 1.023 72 R CA 1.018 57.106 56.100 -0.020 0.000 1.037 72 R CB 0.088 30.377 30.300 -0.019 0.000 0.951 72 R HN 1.207 nan 8.270 nan 0.000 0.418 73 G N 1.863 110.641 108.800 -0.037 0.000 2.141 73 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.231 73 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.231 73 G C 0.000 174.874 174.900 -0.044 0.000 0.984 73 G CA -0.290 44.781 45.100 -0.048 0.000 0.660 73 G HN 0.611 nan 8.290 nan 0.000 0.525 74 E N 0.681 120.859 120.200 -0.036 0.000 2.338 74 E HA 0.310 4.660 4.350 -0.000 0.000 0.272 74 E C 0.617 177.190 176.600 -0.044 0.000 1.029 74 E CA -0.524 55.856 56.400 -0.034 0.000 0.872 74 E CB 0.433 30.118 29.700 -0.024 0.000 1.015 74 E HN 0.276 nan 8.360 nan 0.000 0.417 75 K N 2.543 122.916 120.400 -0.045 0.000 2.451 75 K HA 0.085 4.405 4.320 -0.000 0.000 0.280 75 K C -1.051 175.514 176.600 -0.058 0.000 1.020 75 K CA -0.130 56.122 56.287 -0.058 0.000 1.008 75 K CB 0.577 33.049 32.500 -0.047 0.000 0.917 75 K HN 0.213 nan 8.250 nan 0.000 0.478 76 V N 5.976 125.836 119.914 -0.089 0.000 2.448 76 V HA 0.327 4.447 4.120 -0.000 0.000 0.295 76 V C -0.488 175.565 176.094 -0.067 0.000 1.025 76 V CA -0.991 61.264 62.300 -0.076 0.000 0.859 76 V CB 1.464 33.227 31.823 -0.100 0.000 0.988 76 V HN 0.648 nan 8.190 nan 0.000 0.431 77 L N 3.613 124.828 121.223 -0.014 0.000 2.322 77 L HA 0.605 4.945 4.340 -0.000 0.000 0.279 77 L C -0.209 176.696 176.870 0.058 0.000 1.036 77 L CA 0.165 55.013 54.840 0.014 0.000 0.807 77 L CB 1.777 43.843 42.059 0.012 0.000 1.226 77 L HN 0.779 nan 8.230 nan 0.000 0.433 78 D N -0.115 120.338 120.400 0.089 0.000 2.340 78 D HA 0.371 5.011 4.640 -0.000 0.000 0.251 78 D C 0.657 176.996 176.300 0.065 0.000 1.080 78 D CA 0.299 54.365 54.000 0.110 0.000 0.971 78 D CB 1.507 42.400 40.800 0.154 0.000 1.137 78 D HN 0.695 nan 8.370 nan 0.000 0.475 79 T N -1.422 113.165 114.554 0.055 0.000 2.978 79 T HA 0.392 4.742 4.350 -0.000 0.000 0.248 79 T C 1.500 176.217 174.700 0.029 0.000 1.018 79 T CA 0.627 62.749 62.100 0.036 0.000 1.026 79 T CB 0.491 69.378 68.868 0.031 0.000 1.032 79 T HN 0.654 nan 8.240 nan 0.000 0.485 80 G N 1.086 109.904 108.800 0.030 0.000 2.659 80 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.212 80 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.212 80 G C 0.484 175.393 174.900 0.014 0.000 1.226 80 G CA -0.049 45.062 45.100 0.019 0.000 0.739 80 G HN 1.071 nan 8.290 nan 0.000 0.528 81 G N 1.429 110.238 108.800 0.015 0.000 2.521 81 G HA2 0.754 4.714 3.960 -0.000 0.000 0.323 81 G HA3 0.754 4.714 3.960 -0.000 0.000 0.323 81 G C -1.805 173.108 174.900 0.023 0.000 1.211 81 G CA -0.389 44.719 45.100 0.014 0.000 0.979 81 G HN 0.443 nan 8.290 nan 0.000 0.490 82 P HA 0.181 nan 4.420 nan 0.000 0.288 82 P C 0.024 177.351 177.300 0.046 0.000 1.291 82 P CA -0.394 62.735 63.100 0.049 0.000 0.766 82 P CB 0.868 32.611 31.700 0.071 0.000 1.242 83 I N -0.048 120.560 120.570 0.063 0.000 2.517 83 I HA 0.057 4.227 4.170 -0.000 0.000 0.285 83 I C 1.126 177.251 176.117 0.014 0.000 1.106 83 I CA 0.610 61.932 61.300 0.037 0.000 1.402 83 I CB 0.072 38.095 38.000 0.038 0.000 1.399 83 I HN 0.199 nan 8.210 nan 0.000 0.535 84 S N 6.098 121.796 115.700 -0.002 0.000 2.503 84 S HA 0.757 5.227 4.470 -0.000 0.000 0.301 84 S C -0.580 173.998 174.600 -0.036 0.000 1.087 84 S CA -0.640 57.548 58.200 -0.020 0.000 1.042 84 S CB 1.408 64.597 63.200 -0.020 0.000 1.043 84 S HN 0.406 nan 8.310 nan 0.000 0.489 85 V N 2.256 122.135 119.914 -0.058 0.000 2.735 85 V HA 0.712 4.832 4.120 -0.000 0.000 0.310 85 V C -2.993 173.037 176.094 -0.107 0.000 1.061 85 V CA -2.921 59.337 62.300 -0.070 0.000 0.913 85 V CB 1.194 32.977 31.823 -0.067 0.000 1.005 85 V HN 0.648 nan 8.190 nan 0.000 0.428 86 P HA 0.253 nan 4.420 nan 0.000 0.265 86 P C 0.084 177.260 177.300 -0.205 0.000 1.222 86 P CA 0.288 63.306 63.100 -0.137 0.000 0.767 86 P CB 0.787 32.434 31.700 -0.090 0.000 0.801 87 V N 1.514 121.220 119.914 -0.346 0.000 3.420 87 V HA 0.962 5.082 4.120 -0.000 0.000 0.295 87 V C 0.578 176.322 176.094 -0.584 0.000 1.201 87 V CA -0.038 61.922 62.300 -0.567 0.000 0.995 87 V CB 0.317 31.579 31.823 -0.934 0.000 1.244 87 V HN 0.852 nan 8.190 nan 0.000 0.466 88 G N 0.223 108.540 108.800 -0.805 0.000 2.725 88 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.220 88 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.220 88 G C 0.095 174.941 174.900 -0.089 0.000 1.357 88 G CA 0.272 45.178 45.100 -0.323 0.000 0.866 88 G HN 0.967 nan 8.290 nan 0.000 0.548 89 R N 0.192 120.741 120.500 0.081 0.000 2.313 89 R HA 0.069 4.409 4.340 -0.000 0.000 0.199 89 R C 1.424 177.741 176.300 0.028 0.000 0.958 89 R CA 0.688 56.846 56.100 0.097 0.000 1.047 89 R CB 0.057 30.378 30.300 0.035 0.000 0.955 89 R HN 0.505 nan 8.270 nan 0.000 0.481 90 E N 0.275 120.481 120.200 0.009 0.000 2.511 90 E HA -0.055 4.295 4.350 -0.000 0.000 0.196 90 E C 1.413 178.019 176.600 0.011 0.000 1.066 90 E CA 0.887 57.288 56.400 0.003 0.000 0.871 90 E CB 0.422 30.113 29.700 -0.015 0.000 0.863 90 E HN 0.399 nan 8.360 nan 0.000 0.520 91 T N -1.735 112.840 114.554 0.035 0.000 2.976 91 T HA 0.049 4.399 4.350 -0.000 0.000 0.257 91 T C 1.276 176.022 174.700 0.077 0.000 1.051 91 T CA -0.107 62.027 62.100 0.058 0.000 1.141 91 T CB -0.296 68.628 68.868 0.093 0.000 0.881 91 T HN -0.011 nan 8.240 nan 0.000 0.461 92 L N 2.447 123.708 121.223 0.063 0.000 2.562 92 L HA 0.465 4.805 4.340 -0.000 0.000 0.271 92 L C 1.639 178.553 176.870 0.072 0.000 1.167 92 L CA 0.714 55.586 54.840 0.053 0.000 0.917 92 L CB -0.378 41.664 42.059 -0.029 0.000 1.187 92 L HN 0.587 nan 8.230 nan 0.000 0.482 93 G N 1.859 110.719 108.800 0.100 0.000 2.238 93 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.217 93 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.217 93 G C 0.250 175.225 174.900 0.126 0.000 0.996 93 G CA -0.674 44.493 45.100 0.112 0.000 0.632 93 G HN 0.444 nan 8.290 nan 0.000 0.503 94 R N 0.567 121.123 120.500 0.093 0.000 2.407 94 R HA 0.653 4.993 4.340 -0.000 0.000 0.303 94 R C 0.298 176.632 176.300 0.056 0.000 0.981 94 R CA -0.786 55.349 56.100 0.059 0.000 0.905 94 R CB 0.940 31.263 30.300 0.037 0.000 1.099 94 R HN 0.383 nan 8.270 nan 0.000 0.459 95 I N 3.721 124.282 120.570 -0.014 0.000 2.428 95 I HA 0.356 4.525 4.170 -0.000 0.000 0.289 95 I C 0.449 176.576 176.117 0.017 0.000 1.019 95 I CA -0.241 61.052 61.300 -0.012 0.000 1.351 95 I CB 0.535 38.410 38.000 -0.208 0.000 1.412 95 I HN 0.324 nan 8.210 nan 0.000 0.513 96 I N 4.314 124.938 120.570 0.089 0.000 2.785 96 I HA 0.372 4.542 4.170 -0.000 0.000 0.302 96 I C 0.007 176.172 176.117 0.080 0.000 1.069 96 I CA -0.899 60.439 61.300 0.064 0.000 1.045 96 I CB 1.598 39.631 38.000 0.055 0.000 1.236 96 I HN 0.528 nan 8.210 nan 0.000 0.429 97 N N 1.775 120.501 118.700 0.044 0.000 2.424 97 N HA 0.085 4.825 4.740 -0.000 0.000 0.257 97 N C 0.978 176.506 175.510 0.031 0.000 1.250 97 N CA -0.018 53.057 53.050 0.042 0.000 0.946 97 N CB 1.775 40.275 38.487 0.021 0.000 1.175 97 N HN 0.604 nan 8.380 nan 0.000 0.477 98 V N 3.771 123.700 119.914 0.025 0.000 2.252 98 V HA -0.255 3.865 4.120 -0.000 0.000 0.249 98 V C 2.038 178.129 176.094 -0.005 0.000 1.056 98 V CA 2.356 64.658 62.300 0.004 0.000 1.022 98 V CB -0.572 31.254 31.823 0.004 0.000 0.641 98 V HN 0.678 nan 8.190 nan 0.000 0.445 99 I N -0.483 120.088 120.570 0.001 0.000 2.133 99 I HA 0.237 4.407 4.170 -0.000 0.000 0.238 99 I C 1.848 177.960 176.117 -0.009 0.000 1.074 99 I CA 1.613 62.912 61.300 -0.002 0.000 1.342 99 I CB -0.854 37.149 38.000 0.004 0.000 1.053 99 I HN 0.479 nan 8.210 nan 0.000 0.404 100 G N 0.633 109.430 108.800 -0.006 0.000 3.136 100 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.221 100 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.221 100 G C -0.393 174.502 174.900 -0.009 0.000 0.961 100 G CA -0.582 44.511 45.100 -0.012 0.000 0.983 100 G HN 0.410 nan 8.290 nan 0.000 0.648 101 E N 1.434 121.632 120.200 -0.003 0.000 2.277 101 E HA 0.449 4.799 4.350 -0.000 0.000 0.274 101 E C -2.338 174.258 176.600 -0.007 0.000 1.022 101 E CA -1.938 54.459 56.400 -0.005 0.000 0.853 101 E CB 1.924 31.622 29.700 -0.003 0.000 1.086 101 E HN 0.085 nan 8.360 nan 0.000 0.397 102 P HA 0.076 nan 4.420 nan 0.000 0.280 102 P C 0.083 177.363 177.300 -0.033 0.000 1.300 102 P CA 0.210 63.298 63.100 -0.020 0.000 0.785 102 P CB 0.096 31.785 31.700 -0.018 0.000 0.874 103 I N 0.456 120.996 120.570 -0.050 0.000 3.928 103 I HA 0.168 4.338 4.170 -0.000 0.000 0.335 103 I C 0.398 176.436 176.117 -0.133 0.000 1.325 103 I CA -0.063 61.193 61.300 -0.074 0.000 1.107 103 I CB -0.257 37.707 38.000 -0.059 0.000 1.014 103 I HN 0.028 nan 8.210 nan 0.000 0.400 104 D N 0.654 120.970 120.400 -0.140 0.000 2.349 104 D HA -0.027 4.613 4.640 -0.000 0.000 0.214 104 D C 0.674 176.928 176.300 -0.077 0.000 1.063 104 D CA -0.085 53.815 54.000 -0.168 0.000 0.847 104 D CB -0.247 40.421 40.800 -0.220 0.000 0.933 104 D HN 0.500 nan 8.370 nan 0.000 0.513 105 E N -0.402 119.766 120.200 -0.055 0.000 3.065 105 E HA -0.272 4.078 4.350 -0.000 0.000 0.277 105 E C 0.095 176.686 176.600 -0.015 0.000 1.008 105 E CA 0.381 56.763 56.400 -0.030 0.000 0.864 105 E CB -1.077 28.607 29.700 -0.027 0.000 1.439 105 E HN 0.395 nan 8.360 nan 0.000 0.445 106 R N 0.465 120.958 120.500 -0.012 0.000 3.192 106 R HA 0.248 4.588 4.340 -0.000 0.000 0.264 106 R C 0.875 177.176 176.300 0.002 0.000 1.464 106 R CA 0.408 56.510 56.100 0.003 0.000 1.309 106 R CB 0.318 30.628 30.300 0.016 0.000 1.283 106 R HN 0.329 nan 8.270 nan 0.000 0.584 107 G N 1.492 110.290 108.800 -0.003 0.000 2.725 107 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.220 107 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.220 107 G C -2.508 172.389 174.900 -0.005 0.000 1.357 107 G CA -1.236 43.862 45.100 -0.003 0.000 0.866 107 G HN 0.145 nan 8.290 nan 0.000 0.548 108 P HA 0.484 nan 4.420 nan 0.000 0.273 108 P C 0.112 177.408 177.300 -0.007 0.000 1.250 108 P CA -0.391 62.705 63.100 -0.007 0.000 0.793 108 P CB 0.374 32.069 31.700 -0.008 0.000 1.011 109 I N 0.789 121.352 120.570 -0.012 0.000 2.377 109 I HA 0.185 4.355 4.170 -0.000 0.000 0.282 109 I C 0.326 176.430 176.117 -0.021 0.000 1.091 109 I CA -0.443 60.849 61.300 -0.014 0.000 1.207 109 I CB 0.033 38.023 38.000 -0.017 0.000 1.429 109 I HN 0.076 nan 8.210 nan 0.000 0.491 110 K N 4.537 124.928 120.400 -0.015 0.000 2.079 110 K HA 0.088 4.408 4.320 -0.000 0.000 0.255 110 K C 0.209 176.794 176.600 -0.025 0.000 1.114 110 K CA -0.091 56.186 56.287 -0.017 0.000 1.056 110 K CB -0.013 32.482 32.500 -0.009 0.000 1.176 110 K HN 0.604 nan 8.250 nan 0.000 0.353 111 S N 0.732 116.408 115.700 -0.040 0.000 2.537 111 S HA 0.336 4.806 4.470 -0.000 0.000 0.301 111 S C 0.758 175.319 174.600 -0.065 0.000 1.092 111 S CA -1.051 57.112 58.200 -0.062 0.000 1.048 111 S CB 2.163 65.306 63.200 -0.094 0.000 1.053 111 S HN 0.346 nan 8.310 nan 0.000 0.501 112 K N 0.576 120.934 120.400 -0.071 0.000 1.973 112 K HA 0.144 4.464 4.320 -0.000 0.000 0.210 112 K C -0.008 176.547 176.600 -0.075 0.000 1.045 112 K CA 1.087 57.341 56.287 -0.054 0.000 0.937 112 K CB -0.331 32.152 32.500 -0.029 0.000 0.721 112 K HN 0.589 nan 8.250 nan 0.000 0.438 113 L N 1.770 122.912 121.223 -0.135 0.000 2.325 113 L HA 0.343 4.683 4.340 -0.000 0.000 0.281 113 L C -0.180 176.566 176.870 -0.207 0.000 1.004 113 L CA -0.586 54.165 54.840 -0.148 0.000 0.823 113 L CB 1.870 43.850 42.059 -0.132 0.000 1.236 113 L HN 0.026 nan 8.230 nan 0.000 0.415 114 R N 2.599 123.019 120.500 -0.134 0.000 2.500 114 R HA 0.616 4.956 4.340 -0.000 0.000 0.277 114 R C -0.729 175.507 176.300 -0.107 0.000 1.026 114 R CA -0.666 55.357 56.100 -0.127 0.000 1.058 114 R CB 1.635 31.886 30.300 -0.081 0.000 1.078 114 R HN 0.498 nan 8.270 nan 0.000 0.509 115 K N 1.791 122.129 120.400 -0.103 0.000 2.508 115 K HA 0.391 4.711 4.320 -0.000 0.000 0.260 115 K C -2.644 173.932 176.600 -0.041 0.000 0.949 115 K CA -2.005 54.243 56.287 -0.066 0.000 0.834 115 K CB 2.523 34.979 32.500 -0.074 0.000 1.365 115 K HN 0.363 nan 8.250 nan 0.000 0.437 116 P HA 0.067 nan 4.420 nan 0.000 0.271 116 P C 0.714 178.009 177.300 -0.008 0.000 1.220 116 P CA -0.083 63.023 63.100 0.011 0.000 0.768 116 P CB 0.291 32.015 31.700 0.041 0.000 0.848 117 I N 0.055 120.604 120.570 -0.036 0.000 2.454 117 I HA -0.083 4.087 4.170 -0.000 0.000 0.254 117 I C 0.906 176.911 176.117 -0.188 0.000 1.156 117 I CA 0.886 62.113 61.300 -0.121 0.000 1.433 117 I CB -0.916 36.986 38.000 -0.165 0.000 1.082 117 I HN 0.281 nan 8.210 nan 0.000 0.432 118 H N 2.212 121.272 119.070 -0.017 0.000 2.525 118 H HA 0.759 5.315 4.556 -0.000 0.000 0.339 118 H C -0.308 175.011 175.328 -0.015 0.000 1.109 118 H CA 0.073 56.113 56.048 -0.014 0.000 1.352 118 H CB 1.547 31.305 29.762 -0.008 0.000 1.461 118 H HN 0.428 nan 8.280 nan 0.000 0.533 119 A N 2.781 125.665 122.820 0.107 0.000 2.594 119 A HA 0.208 4.528 4.320 -0.000 0.000 0.296 119 A C -1.176 176.437 177.584 0.048 0.000 1.061 119 A CA -0.993 51.079 52.037 0.057 0.000 0.689 119 A CB 1.245 20.261 19.000 0.025 0.000 1.280 119 A HN 0.598 nan 8.150 nan 0.000 0.406 120 D N 3.128 123.548 120.400 0.034 0.000 2.417 120 D HA 0.360 5.000 4.640 -0.000 0.000 0.250 120 D C -2.073 174.239 176.300 0.021 0.000 1.166 120 D CA -0.220 53.796 54.000 0.027 0.000 0.881 120 D CB 0.436 41.248 40.800 0.020 0.000 1.164 120 D HN 0.251 nan 8.370 nan 0.000 0.467 121 P HA 0.070 nan 4.420 nan 0.000 0.266 121 P C -2.379 174.932 177.300 0.019 0.000 1.193 121 P CA -0.858 62.252 63.100 0.017 0.000 0.770 121 P CB -0.583 31.132 31.700 0.024 0.000 0.836 122 P HA -0.055 nan 4.420 nan 0.000 0.260 122 P C 0.520 177.836 177.300 0.026 0.000 1.172 122 P CA 0.460 63.566 63.100 0.010 0.000 0.760 122 P CB 0.019 31.717 31.700 -0.003 0.000 0.773 123 S N 2.822 118.540 115.700 0.031 0.000 2.612 123 S HA 0.029 4.499 4.470 -0.000 0.000 0.253 123 S C 1.017 175.671 174.600 0.089 0.000 1.346 123 S CA -0.361 57.880 58.200 0.068 0.000 0.976 123 S CB -0.071 63.169 63.200 0.066 0.000 0.949 123 S HN 0.419 nan 8.310 nan 0.000 0.584 124 F N 1.115 121.065 119.950 -0.000 0.000 2.293 124 F HA 0.082 4.609 4.527 -0.000 0.000 0.300 124 F C 2.312 178.110 175.800 -0.002 0.000 1.086 124 F CA 1.165 59.165 58.000 -0.001 0.000 1.375 124 F CB -0.927 38.072 39.000 -0.001 0.000 1.045 124 F HN 0.686 nan 8.300 nan 0.000 0.516 125 A N 0.207 123.022 122.820 -0.009 0.000 1.902 125 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 125 A C 1.739 179.236 177.584 -0.146 0.000 1.181 125 A CA 1.609 53.590 52.037 -0.093 0.000 0.623 125 A CB -0.739 18.273 19.000 0.019 0.000 0.818 125 A HN 0.552 nan 8.150 nan 0.000 0.443 126 E N 0.445 120.589 120.200 -0.093 0.000 2.311 126 E HA 0.096 4.446 4.350 -0.000 0.000 0.198 126 E C -0.310 176.232 176.600 -0.097 0.000 1.115 126 E CA -0.222 56.131 56.400 -0.079 0.000 1.140 126 E CB 0.146 29.823 29.700 -0.039 0.000 1.204 126 E HN 0.558 nan 8.360 nan 0.000 0.446 127 Q N 0.159 119.860 119.800 -0.165 0.000 2.195 127 Q HA 0.458 4.798 4.340 -0.000 0.000 0.250 127 Q C -0.448 175.466 176.000 -0.144 0.000 0.988 127 Q CA -0.485 55.229 55.803 -0.148 0.000 0.911 127 Q CB 2.185 30.813 28.738 -0.183 0.000 1.258 127 Q HN -0.006 nan 8.270 nan 0.000 0.475 128 S N 0.528 116.167 115.700 -0.101 0.000 2.680 128 S HA 0.367 4.837 4.470 -0.000 0.000 0.262 128 S C -1.408 173.157 174.600 -0.057 0.000 1.138 128 S CA -0.495 57.657 58.200 -0.081 0.000 1.072 128 S CB 0.522 63.687 63.200 -0.060 0.000 1.097 128 S HN 0.545 nan 8.310 nan 0.000 0.468 129 T N 1.775 116.295 114.554 -0.057 0.000 2.792 129 T HA 0.835 5.185 4.350 -0.000 0.000 0.280 129 T C -0.198 174.488 174.700 -0.023 0.000 0.990 129 T CA -0.715 61.364 62.100 -0.035 0.000 0.960 129 T CB 1.363 70.212 68.868 -0.032 0.000 0.939 129 T HN 0.833 nan 8.240 nan 0.000 0.439 130 S N 0.890 116.582 115.700 -0.014 0.000 2.636 130 S HA 0.724 5.194 4.470 -0.000 0.000 0.268 130 S C -1.214 173.386 174.600 -0.001 0.000 1.159 130 S CA -0.795 57.400 58.200 -0.008 0.000 0.815 130 S CB 1.056 64.250 63.200 -0.010 0.000 1.130 130 S HN 1.322 nan 8.310 nan 0.000 0.471 131 A N 0.849 123.670 122.820 0.001 0.000 3.158 131 A HA 0.603 4.923 4.320 -0.000 0.000 0.319 131 A C -0.121 177.469 177.584 0.011 0.000 1.204 131 A CA -0.382 51.659 52.037 0.006 0.000 0.992 131 A CB -0.533 18.466 19.000 -0.000 0.000 1.110 131 A HN 0.707 nan 8.150 nan 0.000 0.519 132 E N 1.857 122.067 120.200 0.017 0.000 2.146 132 E HA 0.437 4.786 4.350 -0.000 0.000 0.282 132 E C -0.856 175.768 176.600 0.039 0.000 0.989 132 E CA -0.750 55.664 56.400 0.024 0.000 0.799 132 E CB 0.522 30.234 29.700 0.021 0.000 1.088 132 E HN 0.523 nan 8.360 nan 0.000 0.397 133 I N 4.587 125.182 120.570 0.042 0.000 2.598 133 I HA 0.018 4.188 4.170 -0.000 0.000 0.284 133 I C -0.019 176.139 176.117 0.069 0.000 1.140 133 I CA -0.007 61.328 61.300 0.059 0.000 1.420 133 I CB 0.131 38.163 38.000 0.053 0.000 1.387 133 I HN 0.444 nan 8.210 nan 0.000 0.553 134 L N 6.723 128.003 121.223 0.096 0.000 2.272 134 L HA 0.347 4.687 4.340 -0.000 0.000 0.284 134 L C 0.325 177.249 176.870 0.090 0.000 1.045 134 L CA -0.120 54.781 54.840 0.102 0.000 0.842 134 L CB 0.472 42.613 42.059 0.137 0.000 1.224 134 L HN 0.662 nan 8.230 nan 0.000 0.430 135 E N 2.120 122.356 120.200 0.060 0.000 2.417 135 E HA -0.024 4.326 4.350 -0.000 0.000 0.261 135 E C 0.515 177.127 176.600 0.021 0.000 1.000 135 E CA 0.683 57.104 56.400 0.035 0.000 0.919 135 E CB 0.813 30.530 29.700 0.029 0.000 0.955 135 E HN 0.801 nan 8.360 nan 0.000 0.455 136 T N 0.962 115.504 114.554 -0.020 0.000 2.990 136 T HA 0.257 4.607 4.350 -0.000 0.000 0.249 136 T C 1.355 176.013 174.700 -0.070 0.000 1.039 136 T CA 0.580 62.652 62.100 -0.046 0.000 1.036 136 T CB 0.307 69.096 68.868 -0.132 0.000 0.994 136 T HN 0.737 nan 8.240 nan 0.000 0.489 137 G N 1.493 110.260 108.800 -0.055 0.000 2.176 137 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.253 137 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.253 137 G C -0.028 174.845 174.900 -0.046 0.000 0.979 137 G CA 0.148 45.218 45.100 -0.051 0.000 0.641 137 G HN 0.666 nan 8.290 nan 0.000 0.530 138 I N 0.837 121.378 120.570 -0.049 0.000 2.321 138 I HA 0.272 4.442 4.170 -0.000 0.000 0.291 138 I C 1.582 177.712 176.117 0.022 0.000 0.998 138 I CA -0.814 60.501 61.300 0.025 0.000 1.227 138 I CB 1.391 39.416 38.000 0.042 0.000 1.368 138 I HN -0.030 nan 8.210 nan 0.000 0.466 139 K N 3.516 123.943 120.400 0.044 0.000 2.044 139 K HA -0.181 4.139 4.320 -0.000 0.000 0.210 139 K C 1.805 178.379 176.600 -0.043 0.000 1.049 139 K CA 1.309 57.600 56.287 0.006 0.000 0.927 139 K CB -0.054 32.465 32.500 0.032 0.000 0.713 139 K HN 0.565 nan 8.250 nan 0.000 0.443 140 V N 0.980 120.894 119.914 -0.000 0.000 2.307 140 V HA -0.209 3.911 4.120 -0.000 0.000 0.245 140 V C 2.113 178.194 176.094 -0.022 0.000 1.045 140 V CA 1.519 63.803 62.300 -0.026 0.000 1.024 140 V CB -0.015 31.836 31.823 0.047 0.000 0.651 140 V HN 0.104 nan 8.190 nan 0.000 0.449 141 V N 0.499 120.411 119.914 -0.003 0.000 2.255 141 V HA -0.245 3.875 4.120 -0.000 0.000 0.247 141 V C 2.348 178.392 176.094 -0.083 0.000 1.051 141 V CA 2.563 64.803 62.300 -0.101 0.000 1.018 141 V CB -0.864 30.766 31.823 -0.321 0.000 0.641 141 V HN 0.574 nan 8.190 nan 0.000 0.445 142 D N -0.462 119.901 120.400 -0.063 0.000 2.219 142 D HA -0.101 4.539 4.640 -0.000 0.000 0.205 142 D C 1.825 178.183 176.300 0.097 0.000 0.970 142 D CA 0.936 54.940 54.000 0.006 0.000 0.851 142 D CB -0.111 40.683 40.800 -0.009 0.000 0.943 142 D HN 0.386 nan 8.370 nan 0.000 0.488 143 L N -0.545 120.677 121.223 -0.002 0.000 2.127 143 L HA 0.088 4.428 4.340 -0.000 0.000 0.203 143 L C 1.722 178.682 176.870 0.150 0.000 1.080 143 L CA 1.303 56.137 54.840 -0.010 0.000 0.768 143 L CB 0.042 41.919 42.059 -0.304 0.000 0.924 143 L HN -0.042 nan 8.230 nan 0.000 0.444 144 L N -1.022 120.213 121.223 0.020 0.000 2.500 144 L HA 0.417 4.756 4.340 -0.000 0.000 0.219 144 L C 0.678 177.569 176.870 0.034 0.000 1.057 144 L CA 0.424 55.264 54.840 -0.001 0.000 0.854 144 L CB -0.005 42.018 42.059 -0.059 0.000 1.078 144 L HN 0.170 nan 8.230 nan 0.000 0.480 145 A N 0.468 123.318 122.820 0.050 0.000 3.156 145 A HA 0.539 4.859 4.320 -0.000 0.000 0.311 145 A C -2.671 174.976 177.584 0.106 0.000 1.129 145 A CA -0.934 51.155 52.037 0.088 0.000 0.809 145 A CB -0.095 18.974 19.000 0.114 0.000 1.257 145 A HN -0.149 nan 8.150 nan 0.000 0.491 146 P HA 0.173 nan 4.420 nan 0.000 0.268 146 P C -0.476 176.959 177.300 0.224 0.000 1.204 146 P CA 0.359 63.513 63.100 0.090 0.000 0.768 146 P CB 0.213 31.953 31.700 0.067 0.000 0.842 147 Y N 1.454 121.799 120.300 0.073 0.000 2.357 147 Y HA 0.389 4.939 4.550 -0.000 0.000 0.340 147 Y C 1.102 177.028 175.900 0.042 0.000 1.260 147 Y CA -1.298 56.839 58.100 0.062 0.000 1.425 147 Y CB -0.153 38.349 38.460 0.071 0.000 1.326 147 Y HN 0.332 nan 8.280 nan 0.000 0.580 148 A N 3.821 126.745 122.820 0.174 0.000 2.330 148 A HA 0.545 4.865 4.320 -0.000 0.000 0.327 148 A C -0.039 177.581 177.584 0.060 0.000 1.155 148 A CA -1.022 51.069 52.037 0.091 0.000 0.803 148 A CB 0.625 19.656 19.000 0.052 0.000 1.208 148 A HN 0.766 nan 8.150 nan 0.000 0.477 149 R N 1.044 121.579 120.500 0.057 0.000 2.449 149 R HA 0.322 4.662 4.340 -0.000 0.000 0.296 149 R C 1.110 177.422 176.300 0.020 0.000 1.047 149 R CA 1.302 57.428 56.100 0.043 0.000 1.018 149 R CB 0.275 30.604 30.300 0.048 0.000 0.962 149 R HN 1.622 nan 8.270 nan 0.000 0.428 150 G N 2.025 110.829 108.800 0.006 0.000 2.147 150 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.244 150 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.244 150 G C 0.298 175.183 174.900 -0.025 0.000 1.005 150 G CA 0.013 45.108 45.100 -0.009 0.000 0.713 150 G HN 0.870 nan 8.290 nan 0.000 0.515 151 G N -0.821 107.957 108.800 -0.037 0.000 2.489 151 G HA2 0.655 4.615 3.960 -0.000 0.000 0.327 151 G HA3 0.655 4.615 3.960 -0.000 0.000 0.327 151 G C -0.318 174.528 174.900 -0.090 0.000 1.189 151 G CA -0.916 44.156 45.100 -0.046 0.000 0.962 151 G HN 0.350 nan 8.290 nan 0.000 0.486 152 K N 0.188 120.539 120.400 -0.082 0.000 2.227 152 K HA 0.480 4.800 4.320 -0.000 0.000 0.280 152 K C -0.806 175.706 176.600 -0.147 0.000 1.041 152 K CA -0.094 56.126 56.287 -0.113 0.000 0.905 152 K CB 1.842 34.301 32.500 -0.068 0.000 1.068 152 K HN 0.249 nan 8.250 nan 0.000 0.470 153 I N 1.858 122.293 120.570 -0.225 0.000 2.418 153 I HA 0.298 4.468 4.170 -0.000 0.000 0.287 153 I C 0.186 176.149 176.117 -0.256 0.000 1.008 153 I CA -0.597 60.514 61.300 -0.316 0.000 1.104 153 I CB 2.128 39.776 38.000 -0.586 0.000 1.264 153 I HN 0.654 nan 8.210 nan 0.000 0.438 154 G N 6.681 115.362 108.800 -0.198 0.000 2.388 154 G HA2 0.728 4.688 3.960 -0.000 0.000 0.330 154 G HA3 0.728 4.688 3.960 -0.000 0.000 0.330 154 G C -0.703 174.073 174.900 -0.207 0.000 1.142 154 G CA -0.483 44.447 45.100 -0.283 0.000 0.908 154 G HN 0.509 nan 8.290 nan 0.000 0.473 155 L N 2.409 123.450 121.223 -0.303 0.000 2.495 155 L HA 0.334 4.674 4.340 -0.000 0.000 0.248 155 L C -0.760 175.990 176.870 -0.201 0.000 1.229 155 L CA -0.612 54.122 54.840 -0.177 0.000 0.942 155 L CB 0.341 42.331 42.059 -0.114 0.000 1.242 155 L HN 0.327 nan 8.230 nan 0.000 0.484 156 F N 1.141 121.000 119.950 -0.152 0.000 2.518 156 F HA 0.562 5.089 4.527 -0.000 0.000 0.359 156 F C 1.225 176.962 175.800 -0.105 0.000 1.118 156 F CA 0.050 57.971 58.000 -0.131 0.000 1.287 156 F CB 1.101 40.018 39.000 -0.138 0.000 1.132 156 F HN 0.383 nan 8.300 nan 0.000 0.587 157 G N 1.094 109.920 108.800 0.044 0.000 2.476 157 G HA2 0.460 4.420 3.960 -0.000 0.000 0.309 157 G HA3 0.460 4.420 3.960 -0.000 0.000 0.309 157 G C -0.468 174.345 174.900 -0.145 0.000 1.575 157 G CA -0.444 44.643 45.100 -0.022 0.000 0.913 157 G HN 0.930 nan 8.290 nan 0.000 0.623 158 G N 0.050 108.739 108.800 -0.184 0.000 2.712 158 G HA2 0.598 4.558 3.960 -0.000 0.000 0.258 158 G HA3 0.598 4.558 3.960 -0.000 0.000 0.258 158 G C 0.936 175.737 174.900 -0.164 0.000 1.241 158 G CA 0.426 45.336 45.100 -0.316 0.000 0.923 158 G HN 1.872 nan 8.290 nan 0.000 0.548 159 A N -0.919 121.850 122.820 -0.085 0.000 2.505 159 A HA 0.524 4.844 4.320 -0.000 0.000 0.271 159 A C 1.454 179.094 177.584 0.094 0.000 1.112 159 A CA 1.079 53.213 52.037 0.163 0.000 0.781 159 A CB -0.811 18.346 19.000 0.261 0.000 1.059 159 A HN 2.558 nan 8.150 nan 0.000 0.508 160 G N 0.836 109.698 108.800 0.103 0.000 2.134 160 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.209 160 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.209 160 G C 0.585 175.532 174.900 0.079 0.000 0.993 160 G CA 0.548 45.694 45.100 0.077 0.000 0.669 160 G HN 2.117 nan 8.290 nan 0.000 0.519 161 V N -2.566 117.401 119.914 0.090 0.000 3.621 161 V HA 0.667 4.787 4.120 -0.000 0.000 0.285 161 V C 1.457 177.661 176.094 0.182 0.000 1.346 161 V CA 0.838 63.211 62.300 0.121 0.000 1.104 161 V CB 0.203 32.061 31.823 0.059 0.000 0.913 161 V HN 2.186 nan 8.190 nan 0.000 0.432 162 G N 0.959 109.855 108.800 0.159 0.000 2.327 162 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.159 162 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.159 162 G C 0.272 175.311 174.900 0.232 0.000 1.056 162 G CA 0.246 45.468 45.100 0.203 0.000 0.751 162 G HN 0.488 nan 8.290 nan 0.000 0.488 163 K N -0.596 119.910 120.400 0.178 0.000 2.044 163 K HA 0.042 4.362 4.320 -0.000 0.000 0.204 163 K C 2.618 179.360 176.600 0.238 0.000 1.045 163 K CA 1.570 57.963 56.287 0.176 0.000 0.951 163 K CB -0.206 32.366 32.500 0.120 0.000 0.738 163 K HN 0.281 nan 8.250 nan 0.000 0.443 164 T N 1.514 116.192 114.554 0.206 0.000 2.652 164 T HA -0.135 4.215 4.350 -0.000 0.000 0.267 164 T C 2.102 176.936 174.700 0.223 0.000 1.039 164 T CA 1.397 63.623 62.100 0.209 0.000 1.153 164 T CB -0.378 68.595 68.868 0.174 0.000 0.863 164 T HN -0.085 nan 8.240 nan 0.000 0.428 165 V N 0.764 120.812 119.914 0.223 0.000 2.407 165 V HA -0.121 3.999 4.120 -0.000 0.000 0.248 165 V C 2.022 178.300 176.094 0.306 0.000 1.055 165 V CA 1.495 63.935 62.300 0.233 0.000 1.049 165 V CB -0.770 31.177 31.823 0.206 0.000 0.662 165 V HN 0.383 nan 8.190 nan 0.000 0.455 166 F N 0.124 120.217 119.950 0.239 0.000 2.134 166 F HA -0.176 4.351 4.527 -0.000 0.000 0.299 166 F C 2.110 178.041 175.800 0.220 0.000 1.097 166 F CA 1.637 59.813 58.000 0.295 0.000 1.264 166 F CB -0.105 39.061 39.000 0.278 0.000 1.001 166 F HN 0.048 nan 8.300 nan 0.000 0.479 167 I N -0.107 120.697 120.570 0.389 0.000 2.179 167 I HA -0.356 3.814 4.170 -0.000 0.000 0.242 167 I C 2.347 178.537 176.117 0.121 0.000 1.088 167 I CA 1.525 63.007 61.300 0.302 0.000 1.357 167 I CB -0.577 37.612 38.000 0.314 0.000 1.051 167 I HN 0.214 nan 8.210 nan 0.000 0.409 168 Q N 0.063 119.907 119.800 0.072 0.000 2.135 168 Q HA -0.289 4.051 4.340 -0.000 0.000 0.204 168 Q C 2.015 177.967 176.000 -0.081 0.000 0.981 168 Q CA 1.677 57.466 55.803 -0.024 0.000 0.856 168 Q CB -0.164 28.578 28.738 0.007 0.000 0.902 168 Q HN 0.362 nan 8.270 nan 0.000 0.425 169 E N 0.523 120.643 120.200 -0.132 0.000 2.347 169 E HA -0.080 4.270 4.350 -0.000 0.000 0.196 169 E C 1.500 177.928 176.600 -0.288 0.000 1.008 169 E CA 0.511 56.712 56.400 -0.332 0.000 0.852 169 E CB 0.096 29.350 29.700 -0.744 0.000 0.783 169 E HN 0.290 nan 8.360 nan 0.000 0.505 170 L N -0.516 120.629 121.223 -0.130 0.000 2.202 170 L HA 0.051 4.391 4.340 -0.000 0.000 0.205 170 L C 2.067 178.983 176.870 0.077 0.000 1.083 170 L CA 0.386 55.234 54.840 0.013 0.000 0.790 170 L CB -0.155 42.026 42.059 0.203 0.000 0.942 170 L HN 0.158 nan 8.230 nan 0.000 0.452 171 I N 0.193 120.779 120.570 0.026 0.000 2.142 171 I HA -0.322 3.848 4.170 -0.000 0.000 0.240 171 I C 2.241 178.335 176.117 -0.038 0.000 1.078 171 I CA 1.767 63.045 61.300 -0.036 0.000 1.343 171 I CB -0.446 37.419 38.000 -0.225 0.000 1.046 171 I HN 0.325 nan 8.210 nan 0.000 0.405 172 N N 0.951 119.603 118.700 -0.079 0.000 2.205 172 N HA -0.214 4.526 4.740 -0.000 0.000 0.186 172 N C 1.477 176.942 175.510 -0.075 0.000 1.015 172 N CA 1.636 54.634 53.050 -0.086 0.000 0.862 172 N CB 0.014 38.429 38.487 -0.120 0.000 0.986 172 N HN 0.249 nan 8.380 nan 0.000 0.429 173 N N -1.114 117.539 118.700 -0.079 0.000 2.405 173 N HA 0.213 4.953 4.740 -0.000 0.000 0.175 173 N C 0.835 176.339 175.510 -0.010 0.000 1.051 173 N CA 0.567 53.577 53.050 -0.067 0.000 0.899 173 N CB 0.501 38.920 38.487 -0.113 0.000 1.000 173 N HN 0.340 nan 8.380 nan 0.000 0.451 174 I N -1.183 119.404 120.570 0.028 0.000 4.033 174 I HA 0.233 4.403 4.170 -0.000 0.000 0.296 174 I C 1.788 177.954 176.117 0.083 0.000 1.210 174 I CA 0.136 61.475 61.300 0.065 0.000 1.341 174 I CB 0.065 38.117 38.000 0.086 0.000 1.369 174 I HN -0.076 nan 8.210 nan 0.000 0.453 175 A N 1.174 124.048 122.820 0.090 0.000 1.933 175 A HA -0.185 4.134 4.320 -0.000 0.000 0.218 175 A C 2.197 179.833 177.584 0.086 0.000 1.175 175 A CA 1.721 53.819 52.037 0.101 0.000 0.628 175 A CB -0.358 18.707 19.000 0.108 0.000 0.814 175 A HN 0.252 nan 8.150 nan 0.000 0.444 176 K N -0.548 119.881 120.400 0.048 0.000 2.103 176 K HA 0.052 4.372 4.320 -0.000 0.000 0.204 176 K C 2.111 178.732 176.600 0.036 0.000 1.052 176 K CA 1.014 57.319 56.287 0.029 0.000 0.945 176 K CB -0.203 32.299 32.500 0.004 0.000 0.722 176 K HN 0.427 nan 8.250 nan 0.000 0.443 177 A N 0.242 123.091 122.820 0.048 0.000 2.067 177 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 177 A C 1.656 179.278 177.584 0.064 0.000 1.156 177 A CA 1.038 53.100 52.037 0.042 0.000 0.683 177 A CB -0.575 18.447 19.000 0.036 0.000 0.808 177 A HN 0.307 nan 8.150 nan 0.000 0.455 178 H N -0.092 118.968 119.070 -0.017 0.000 2.261 178 H HA -0.088 4.468 4.556 -0.000 0.000 0.290 178 H C 1.787 177.078 175.328 -0.061 0.000 1.081 178 H CA 2.881 58.913 56.048 -0.028 0.000 1.196 178 H CB -0.364 29.388 29.762 -0.017 0.000 1.350 178 H HN 0.653 nan 8.280 nan 0.000 0.498 179 G N -2.579 106.101 108.800 -0.201 0.000 2.231 179 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.206 179 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.206 179 G C 0.739 175.392 174.900 -0.411 0.000 0.996 179 G CA 0.498 45.415 45.100 -0.305 0.000 0.645 179 G HN 0.930 nan 8.290 nan 0.000 0.498 180 G N -0.784 107.745 108.800 -0.450 0.000 3.217 180 G HA2 0.709 4.669 3.960 -0.000 0.000 0.213 180 G HA3 0.709 4.669 3.960 -0.000 0.000 0.213 180 G C -0.828 173.879 174.900 -0.321 0.000 1.294 180 G CA -1.042 43.823 45.100 -0.391 0.000 0.987 180 G HN 0.285 nan 8.290 nan 0.000 0.584 181 F N 0.150 120.092 119.950 -0.013 0.000 2.425 181 F HA 0.639 5.166 4.527 -0.000 0.000 0.331 181 F C 0.690 176.469 175.800 -0.033 0.000 1.085 181 F CA -0.558 57.365 58.000 -0.130 0.000 1.028 181 F CB 2.284 40.968 39.000 -0.527 0.000 1.177 181 F HN 0.148 nan 8.300 nan 0.000 0.487 182 S N 0.979 116.812 115.700 0.222 0.000 2.549 182 S HA 0.788 5.257 4.470 -0.000 0.000 0.297 182 S C -0.976 173.770 174.600 0.244 0.000 1.115 182 S CA -0.729 57.608 58.200 0.229 0.000 1.059 182 S CB 1.924 65.291 63.200 0.279 0.000 1.046 182 S HN 0.318 nan 8.310 nan 0.000 0.506 183 V N 3.272 123.355 119.914 0.282 0.000 2.524 183 V HA 0.454 4.574 4.120 -0.000 0.000 0.297 183 V C -1.198 175.099 176.094 0.339 0.000 1.035 183 V CA -0.612 61.853 62.300 0.276 0.000 0.867 183 V CB 1.228 33.179 31.823 0.213 0.000 1.004 183 V HN 0.851 nan 8.190 nan 0.000 0.426 184 F N 3.138 123.202 119.950 0.190 0.000 2.458 184 F HA 0.772 5.299 4.527 -0.000 0.000 0.330 184 F C 0.331 176.114 175.800 -0.029 0.000 1.082 184 F CA -0.005 58.079 58.000 0.140 0.000 0.995 184 F CB 2.224 41.284 39.000 0.100 0.000 1.170 184 F HN 0.438 nan 8.300 nan 0.000 0.478 185 T N 3.447 117.742 114.554 -0.432 0.000 2.906 185 T HA 0.387 4.737 4.350 -0.000 0.000 0.302 185 T C -0.090 174.302 174.700 -0.513 0.000 1.002 185 T CA -0.650 61.228 62.100 -0.370 0.000 0.988 185 T CB 1.153 69.855 68.868 -0.278 0.000 0.972 185 T HN 0.881 nan 8.240 nan 0.000 0.447 186 G N 2.212 110.613 108.800 -0.664 0.000 2.621 186 G HA2 0.452 4.412 3.960 -0.000 0.000 0.306 186 G HA3 0.452 4.412 3.960 -0.000 0.000 0.306 186 G C -0.109 174.652 174.900 -0.232 0.000 0.893 186 G CA -0.321 44.459 45.100 -0.535 0.000 1.486 186 G HN 0.670 nan 8.290 nan 0.000 0.477 187 V N 2.924 122.756 119.914 -0.137 0.000 2.320 187 V HA 0.474 4.594 4.120 -0.000 0.000 0.265 187 V C 1.422 177.513 176.094 -0.005 0.000 1.048 187 V CA 0.401 62.663 62.300 -0.063 0.000 0.865 187 V CB 0.438 32.222 31.823 -0.065 0.000 1.043 187 V HN 1.100 nan 8.190 nan 0.000 0.474 188 G N 3.303 112.111 108.800 0.015 0.000 2.212 188 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.267 188 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.267 188 G C 0.393 175.317 174.900 0.040 0.000 1.002 188 G CA 0.613 45.728 45.100 0.026 0.000 0.729 188 G HN 0.595 nan 8.290 nan 0.000 0.517 189 E N -0.296 119.944 120.200 0.068 0.000 4.126 189 E HA 0.369 4.719 4.350 -0.000 0.000 0.314 189 E C 1.095 177.762 176.600 0.113 0.000 1.438 189 E CA -0.544 55.913 56.400 0.094 0.000 1.682 189 E CB 0.350 30.130 29.700 0.133 0.000 1.454 189 E HN 0.469 nan 8.360 nan 0.000 0.810 190 R N -0.085 120.492 120.500 0.129 0.000 2.410 190 R HA 0.221 4.561 4.340 -0.000 0.000 0.288 190 R C 1.282 177.666 176.300 0.140 0.000 1.051 190 R CA -0.111 56.057 56.100 0.114 0.000 1.021 190 R CB 0.513 30.870 30.300 0.095 0.000 1.032 190 R HN 0.370 nan 8.270 nan 0.000 0.481 191 T N 1.418 116.034 114.554 0.103 0.000 2.867 191 T HA -0.122 4.228 4.350 -0.000 0.000 0.268 191 T C 1.722 176.444 174.700 0.038 0.000 1.057 191 T CA 0.998 63.145 62.100 0.079 0.000 1.136 191 T CB -0.104 68.792 68.868 0.046 0.000 0.874 191 T HN 0.494 nan 8.240 nan 0.000 0.466 192 R N 1.173 121.699 120.500 0.044 0.000 2.105 192 R HA -0.126 4.214 4.340 -0.000 0.000 0.239 192 R C 2.128 178.450 176.300 0.037 0.000 1.135 192 R CA 1.497 57.616 56.100 0.032 0.000 0.967 192 R CB -0.112 30.212 30.300 0.040 0.000 0.861 192 R HN 0.508 nan 8.270 nan 0.000 0.442 193 E N -1.004 119.241 120.200 0.075 0.000 2.077 193 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 193 E C 1.860 178.501 176.600 0.069 0.000 0.989 193 E CA 1.156 57.613 56.400 0.095 0.000 0.800 193 E CB -0.205 29.591 29.700 0.161 0.000 0.746 193 E HN 0.567 nan 8.360 nan 0.000 0.452 194 G N 1.708 110.547 108.800 0.065 0.000 2.453 194 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.215 194 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.215 194 G C 1.427 176.144 174.900 -0.305 0.000 1.201 194 G CA 0.802 45.750 45.100 -0.254 0.000 0.784 194 G HN 0.182 nan 8.290 nan 0.000 0.545 195 N N 1.186 119.769 118.700 -0.195 0.000 2.037 195 N HA -0.178 4.562 4.740 -0.000 0.000 0.196 195 N C 1.776 177.276 175.510 -0.016 0.000 1.034 195 N CA 1.926 54.931 53.050 -0.075 0.000 0.861 195 N CB -0.464 37.996 38.487 -0.044 0.000 1.039 195 N HN 0.162 nan 8.380 nan 0.000 0.427 196 D N 0.586 120.970 120.400 -0.027 0.000 2.106 196 D HA -0.176 4.464 4.640 -0.000 0.000 0.191 196 D C 2.045 178.314 176.300 -0.050 0.000 0.997 196 D CA 0.764 54.749 54.000 -0.025 0.000 0.834 196 D CB -0.498 40.298 40.800 -0.006 0.000 0.956 196 D HN 0.277 nan 8.370 nan 0.000 0.448 197 L N -0.060 121.120 121.223 -0.071 0.000 2.017 197 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 197 L C 2.288 179.109 176.870 -0.081 0.000 1.073 197 L CA 1.624 56.393 54.840 -0.118 0.000 0.745 197 L CB -1.059 40.885 42.059 -0.192 0.000 0.894 197 L HN 0.069 nan 8.230 nan 0.000 0.432 198 Y N 0.627 120.806 120.300 -0.200 0.000 2.081 198 Y HA -0.313 4.237 4.550 -0.000 0.000 0.280 198 Y C 2.941 178.772 175.900 -0.115 0.000 1.163 198 Y CA 2.496 60.497 58.100 -0.165 0.000 1.135 198 Y CB -0.481 37.856 38.460 -0.206 0.000 0.970 198 Y HN 0.245 nan 8.280 nan 0.000 0.498 199 R N 0.280 120.679 120.500 -0.168 0.000 2.083 199 R HA -0.244 4.096 4.340 -0.000 0.000 0.237 199 R C 2.203 178.388 176.300 -0.193 0.000 1.137 199 R CA 2.066 58.034 56.100 -0.221 0.000 0.951 199 R CB -0.427 29.814 30.300 -0.097 0.000 0.851 199 R HN 0.443 nan 8.270 nan 0.000 0.434 200 E N -0.185 119.933 120.200 -0.138 0.000 2.204 200 E HA -0.136 4.214 4.350 -0.000 0.000 0.195 200 E C 1.923 178.444 176.600 -0.132 0.000 0.990 200 E CA 1.283 57.612 56.400 -0.118 0.000 0.821 200 E CB 0.096 29.737 29.700 -0.098 0.000 0.750 200 E HN 0.281 nan 8.360 nan 0.000 0.477 201 M N -0.161 119.345 119.600 -0.157 0.000 2.236 201 M HA -0.045 4.435 4.480 -0.000 0.000 0.266 201 M C 2.157 178.365 176.300 -0.153 0.000 1.070 201 M CA 1.106 56.325 55.300 -0.135 0.000 1.137 201 M CB -0.340 32.199 32.600 -0.101 0.000 1.378 201 M HN 0.022 nan 8.290 nan 0.000 0.426 202 K N 0.520 120.772 120.400 -0.246 0.000 2.432 202 K HA -0.079 4.241 4.320 -0.000 0.000 0.196 202 K C 1.438 177.944 176.600 -0.157 0.000 1.038 202 K CA 0.711 56.859 56.287 -0.233 0.000 0.986 202 K CB 0.334 32.606 32.500 -0.381 0.000 0.782 202 K HN 0.368 nan 8.250 nan 0.000 0.485 203 E N -0.480 119.635 120.200 -0.142 0.000 2.086 203 E HA -0.087 4.263 4.350 -0.000 0.000 0.190 203 E C 1.732 178.285 176.600 -0.078 0.000 0.975 203 E CA 1.547 57.886 56.400 -0.102 0.000 0.813 203 E CB 0.209 29.851 29.700 -0.097 0.000 0.768 203 E HN 0.388 nan 8.360 nan 0.000 0.457 204 T N -2.881 111.627 114.554 -0.077 0.000 3.055 204 T HA 0.132 4.482 4.350 -0.000 0.000 0.265 204 T C 1.562 176.233 174.700 -0.048 0.000 1.111 204 T CA 0.884 62.949 62.100 -0.059 0.000 1.118 204 T CB 0.511 69.344 68.868 -0.059 0.000 0.909 204 T HN 0.323 nan 8.240 nan 0.000 0.501 205 G N 0.226 108.996 108.800 -0.051 0.000 2.339 205 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.209 205 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.209 205 G C 1.030 175.916 174.900 -0.024 0.000 1.015 205 G CA 0.109 45.187 45.100 -0.037 0.000 0.635 205 G HN 0.497 nan 8.290 nan 0.000 0.499 206 V N 1.325 121.227 119.914 -0.021 0.000 2.317 206 V HA -0.046 4.074 4.120 -0.000 0.000 0.251 206 V C 1.761 177.863 176.094 0.014 0.000 1.065 206 V CA 2.020 64.320 62.300 0.001 0.000 1.049 206 V CB -0.396 31.427 31.823 0.001 0.000 0.651 206 V HN 0.523 nan 8.190 nan 0.000 0.450 207 I N 0.425 120.988 120.570 -0.012 0.000 2.353 207 I HA 0.321 4.491 4.170 -0.000 0.000 0.293 207 I C -0.108 175.993 176.117 -0.027 0.000 0.992 207 I CA 0.087 61.382 61.300 -0.008 0.000 1.268 207 I CB 1.270 39.253 38.000 -0.028 0.000 1.387 207 I HN 0.220 nan 8.210 nan 0.000 0.478 208 N N 4.899 123.599 118.700 -0.000 0.000 2.397 208 N HA 0.360 5.100 4.740 -0.000 0.000 0.291 208 N C 0.173 175.691 175.510 0.012 0.000 1.065 208 N CA -0.544 52.503 53.050 -0.006 0.000 0.884 208 N CB 1.571 40.059 38.487 0.001 0.000 1.551 208 N HN 0.488 nan 8.380 nan 0.000 0.487 209 L N 1.715 122.941 121.223 0.006 0.000 2.492 209 L HA 0.206 4.546 4.340 -0.000 0.000 0.223 209 L C 0.488 177.370 176.870 0.020 0.000 1.132 209 L CA 0.890 55.744 54.840 0.024 0.000 0.850 209 L CB 0.018 42.093 42.059 0.026 0.000 0.966 209 L HN 0.620 nan 8.230 nan 0.000 0.454 210 E N -0.874 119.333 120.200 0.012 0.000 2.921 210 E HA 0.224 4.574 4.350 -0.000 0.000 0.203 210 E C 0.690 177.297 176.600 0.012 0.000 0.975 210 E CA -0.005 56.401 56.400 0.011 0.000 1.225 210 E CB 1.112 30.815 29.700 0.005 0.000 1.048 210 E HN 0.343 nan 8.360 nan 0.000 0.477 211 G N 0.360 109.169 108.800 0.016 0.000 3.341 211 G HA2 0.254 4.214 3.960 -0.000 0.000 0.186 211 G HA3 0.254 4.214 3.960 -0.000 0.000 0.186 211 G C -0.645 174.274 174.900 0.030 0.000 1.430 211 G CA -0.276 44.836 45.100 0.019 0.000 0.961 211 G HN -0.048 nan 8.290 nan 0.000 0.767 212 E N -0.001 120.221 120.200 0.035 0.000 2.312 212 E HA 0.725 5.075 4.350 -0.000 0.000 0.267 212 E C -1.092 175.546 176.600 0.063 0.000 0.894 212 E CA -0.519 55.914 56.400 0.056 0.000 0.773 212 E CB 2.095 31.833 29.700 0.064 0.000 1.241 212 E HN 0.246 nan 8.360 nan 0.000 0.432 213 S N 0.594 116.347 115.700 0.089 0.000 2.634 213 S HA 0.506 4.976 4.470 -0.000 0.000 0.296 213 S C 0.495 175.195 174.600 0.167 0.000 1.104 213 S CA -0.740 57.520 58.200 0.099 0.000 0.920 213 S CB 2.088 65.339 63.200 0.085 0.000 1.111 213 S HN 0.364 nan 8.310 nan 0.000 0.493 214 K N -0.152 120.349 120.400 0.168 0.000 2.511 214 K HA 0.314 4.634 4.320 -0.000 0.000 0.209 214 K C -0.563 176.179 176.600 0.237 0.000 1.301 214 K CA 0.205 56.650 56.287 0.263 0.000 0.967 214 K CB 1.238 33.833 32.500 0.159 0.000 1.109 214 K HN 0.315 nan 8.250 nan 0.000 0.561 215 V N 1.381 121.393 119.914 0.162 0.000 2.487 215 V HA 0.683 4.803 4.120 -0.000 0.000 0.298 215 V C -1.328 174.865 176.094 0.165 0.000 1.028 215 V CA -0.698 61.703 62.300 0.169 0.000 0.860 215 V CB 1.280 33.199 31.823 0.160 0.000 0.991 215 V HN 0.219 nan 8.190 nan 0.000 0.427 216 A N 7.088 130.018 122.820 0.183 0.000 2.279 216 A HA 0.909 5.229 4.320 -0.000 0.000 0.303 216 A C -0.871 176.857 177.584 0.240 0.000 1.108 216 A CA -0.615 51.535 52.037 0.189 0.000 0.830 216 A CB 0.839 19.953 19.000 0.189 0.000 1.106 216 A HN 0.919 nan 8.150 nan 0.000 0.493 217 L N 1.180 122.553 121.223 0.249 0.000 2.408 217 L HA 0.574 4.914 4.340 -0.000 0.000 0.268 217 L C -1.197 175.876 176.870 0.338 0.000 0.986 217 L CA -0.882 54.184 54.840 0.378 0.000 0.820 217 L CB 2.194 44.553 42.059 0.499 0.000 1.303 217 L HN 0.400 nan 8.230 nan 0.000 0.411 218 V N 2.477 122.533 119.914 0.236 0.000 2.407 218 V HA 0.496 4.616 4.120 -0.000 0.000 0.291 218 V C -0.956 175.090 176.094 -0.081 0.000 1.018 218 V CA -0.391 61.968 62.300 0.099 0.000 0.842 218 V CB 1.441 33.262 31.823 -0.003 0.000 0.996 218 V HN 0.443 nan 8.190 nan 0.000 0.426 219 F N 2.462 122.444 119.950 0.054 0.000 2.612 219 F HA 0.733 5.260 4.527 -0.000 0.000 0.332 219 F C 0.577 176.394 175.800 0.029 0.000 1.167 219 F CA -0.441 57.592 58.000 0.054 0.000 0.970 219 F CB 2.500 41.524 39.000 0.039 0.000 1.234 219 F HN 0.578 nan 8.300 nan 0.000 0.453 220 G N 4.200 113.077 108.800 0.129 0.000 3.881 220 G HA2 0.331 4.291 3.960 -0.000 0.000 0.319 220 G HA3 0.331 4.291 3.960 -0.000 0.000 0.319 220 G C -0.632 174.316 174.900 0.079 0.000 1.472 220 G CA -0.478 44.676 45.100 0.090 0.000 0.851 220 G HN 0.277 nan 8.290 nan 0.000 0.495 221 Q N 1.009 120.879 119.800 0.116 0.000 2.527 221 Q HA 0.169 4.509 4.340 -0.000 0.000 0.189 221 Q C 2.208 178.245 176.000 0.062 0.000 1.116 221 Q CA -0.474 55.392 55.803 0.106 0.000 1.169 221 Q CB 0.338 29.161 28.738 0.141 0.000 1.211 221 Q HN 0.706 nan 8.270 nan 0.000 0.649 222 M N -0.278 119.355 119.600 0.054 0.000 2.700 222 M HA -0.060 4.420 4.480 -0.000 0.000 0.249 222 M C 0.557 176.874 176.300 0.029 0.000 1.082 222 M CA 1.244 56.563 55.300 0.032 0.000 1.077 222 M CB -0.633 31.982 32.600 0.026 0.000 1.477 222 M HN 0.325 nan 8.290 nan 0.000 0.529 223 N N 0.407 119.129 118.700 0.037 0.000 2.461 223 N HA 0.027 4.767 4.740 -0.000 0.000 0.188 223 N C -0.269 175.256 175.510 0.025 0.000 1.134 223 N CA 0.427 53.494 53.050 0.030 0.000 0.878 223 N CB -0.164 38.342 38.487 0.032 0.000 0.972 223 N HN 0.396 nan 8.380 nan 0.000 0.456 224 E N 0.961 121.177 120.200 0.026 0.000 2.214 224 E HA 0.399 4.749 4.350 -0.000 0.000 0.274 224 E C -2.367 174.240 176.600 0.013 0.000 0.977 224 E CA -2.283 54.130 56.400 0.022 0.000 0.827 224 E CB 0.905 30.621 29.700 0.027 0.000 1.130 224 E HN 0.092 nan 8.360 nan 0.000 0.394 225 P HA -0.001 nan 4.420 nan 0.000 0.268 225 P C -1.769 175.531 177.300 -0.000 0.000 1.208 225 P CA -0.797 62.307 63.100 0.006 0.000 0.777 225 P CB 0.105 31.810 31.700 0.008 0.000 0.875 226 P HA -0.152 nan 4.420 nan 0.000 0.223 226 P C 1.375 178.662 177.300 -0.022 0.000 1.144 226 P CA 1.574 64.659 63.100 -0.024 0.000 0.783 226 P CB -0.355 31.327 31.700 -0.030 0.000 0.771 227 G N 0.851 109.648 108.800 -0.005 0.000 2.404 227 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.215 227 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.215 227 G C 1.814 176.721 174.900 0.012 0.000 1.174 227 G CA 0.966 46.070 45.100 0.006 0.000 0.780 227 G HN 0.334 nan 8.290 nan 0.000 0.537 228 A N 0.847 123.674 122.820 0.012 0.000 1.883 228 A HA -0.040 4.280 4.320 -0.000 0.000 0.217 228 A C 2.438 180.032 177.584 0.018 0.000 1.186 228 A CA 1.721 53.768 52.037 0.016 0.000 0.624 228 A CB -0.375 18.636 19.000 0.018 0.000 0.822 228 A HN 0.354 nan 8.150 nan 0.000 0.444 229 R N -0.773 119.734 120.500 0.012 0.000 2.193 229 R HA 0.111 4.451 4.340 -0.000 0.000 0.213 229 R C 2.255 178.582 176.300 0.046 0.000 1.055 229 R CA 0.801 56.910 56.100 0.015 0.000 0.995 229 R CB -0.286 30.010 30.300 -0.006 0.000 0.893 229 R HN 0.506 nan 8.270 nan 0.000 0.459 230 A N 0.719 123.556 122.820 0.029 0.000 2.014 230 A HA -0.051 4.269 4.320 -0.000 0.000 0.218 230 A C 1.829 179.528 177.584 0.192 0.000 1.163 230 A CA 0.974 53.049 52.037 0.063 0.000 0.652 230 A CB 0.059 19.041 19.000 -0.030 0.000 0.808 230 A HN 0.050 nan 8.150 nan 0.000 0.449 231 R N -1.612 118.941 120.500 0.087 0.000 2.250 231 R HA 0.127 4.467 4.340 -0.000 0.000 0.194 231 R C 1.892 178.180 176.300 -0.020 0.000 0.927 231 R CA 0.897 57.016 56.100 0.031 0.000 1.052 231 R CB -1.130 29.176 30.300 0.010 0.000 1.055 231 R HN 0.350 nan 8.270 nan 0.000 0.537 232 V N 1.835 121.744 119.914 -0.008 0.000 2.453 232 V HA -0.255 3.865 4.120 -0.000 0.000 0.252 232 V C 2.189 178.233 176.094 -0.084 0.000 1.068 232 V CA 2.146 64.423 62.300 -0.037 0.000 1.070 232 V CB -0.448 31.360 31.823 -0.024 0.000 0.664 232 V HN 0.313 nan 8.190 nan 0.000 0.461 233 A N -0.208 122.552 122.820 -0.100 0.000 1.858 233 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 233 A C 2.078 179.532 177.584 -0.217 0.000 1.190 233 A CA 2.187 54.107 52.037 -0.195 0.000 0.617 233 A CB -0.692 18.120 19.000 -0.312 0.000 0.827 233 A HN 0.556 nan 8.150 nan 0.000 0.443 234 L N -0.473 120.617 121.223 -0.221 0.000 2.127 234 L HA -0.173 4.167 4.340 -0.000 0.000 0.211 234 L C 2.727 179.498 176.870 -0.166 0.000 1.089 234 L CA 1.767 56.474 54.840 -0.222 0.000 0.757 234 L CB -0.950 40.950 42.059 -0.265 0.000 0.899 234 L HN 0.344 nan 8.230 nan 0.000 0.434 235 T N -0.344 114.131 114.554 -0.132 0.000 2.643 235 T HA -0.159 4.191 4.350 -0.000 0.000 0.264 235 T C 1.881 176.537 174.700 -0.074 0.000 1.045 235 T CA 1.609 63.653 62.100 -0.094 0.000 1.155 235 T CB -0.736 68.094 68.868 -0.064 0.000 0.863 235 T HN 0.556 nan 8.240 nan 0.000 0.420 236 G N 1.139 109.896 108.800 -0.071 0.000 2.448 236 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.219 236 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.219 236 G C 1.513 176.390 174.900 -0.039 0.000 1.127 236 G CA 0.581 45.657 45.100 -0.041 0.000 0.766 236 G HN 0.394 nan 8.290 nan 0.000 0.552 237 L N 1.374 122.549 121.223 -0.081 0.000 2.093 237 L HA 0.022 4.362 4.340 -0.000 0.000 0.208 237 L C 2.794 179.638 176.870 -0.044 0.000 1.085 237 L CA 2.446 57.239 54.840 -0.077 0.000 0.755 237 L CB -1.068 40.914 42.059 -0.128 0.000 0.904 237 L HN 0.189 nan 8.230 nan 0.000 0.435 238 T N -0.163 114.358 114.554 -0.055 0.000 2.708 238 T HA -0.178 4.172 4.350 -0.000 0.000 0.266 238 T C 2.042 176.725 174.700 -0.027 0.000 1.037 238 T CA 2.009 64.084 62.100 -0.042 0.000 1.146 238 T CB -0.451 68.378 68.868 -0.065 0.000 0.865 238 T HN 0.335 nan 8.240 nan 0.000 0.435 239 I N 1.534 122.083 120.570 -0.036 0.000 2.151 239 I HA -0.240 3.930 4.170 -0.000 0.000 0.243 239 I C 2.964 179.114 176.117 0.054 0.000 1.080 239 I CA 1.376 62.648 61.300 -0.046 0.000 1.339 239 I CB -0.477 37.539 38.000 0.026 0.000 1.039 239 I HN 0.240 nan 8.210 nan 0.000 0.409 240 A N -0.048 122.859 122.820 0.146 0.000 1.898 240 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 240 A C 2.212 179.888 177.584 0.153 0.000 1.181 240 A CA 1.331 53.505 52.037 0.227 0.000 0.620 240 A CB -0.536 18.543 19.000 0.131 0.000 0.819 240 A HN 0.403 nan 8.150 nan 0.000 0.442 241 E N -1.701 118.541 120.200 0.071 0.000 2.209 241 E HA -0.221 4.129 4.350 -0.000 0.000 0.196 241 E C 1.678 178.309 176.600 0.051 0.000 0.993 241 E CA 1.346 57.773 56.400 0.045 0.000 0.819 241 E CB -0.215 29.495 29.700 0.016 0.000 0.745 241 E HN 0.817 nan 8.360 nan 0.000 0.477 242 Y N 0.088 120.326 120.300 -0.104 0.000 2.176 242 Y HA -0.198 4.352 4.550 -0.000 0.000 0.291 242 Y C 1.881 177.704 175.900 -0.128 0.000 1.122 242 Y CA 1.379 59.368 58.100 -0.184 0.000 1.128 242 Y CB -0.329 37.918 38.460 -0.355 0.000 1.005 242 Y HN -0.092 nan 8.280 nan 0.000 0.509 243 F N 0.615 120.637 119.950 0.120 0.000 2.095 243 F HA -0.228 4.299 4.527 -0.000 0.000 0.298 243 F C 2.737 178.543 175.800 0.010 0.000 1.104 243 F CA 1.989 60.032 58.000 0.073 0.000 1.232 243 F CB -1.015 38.082 39.000 0.163 0.000 0.987 243 F HN 0.000 nan 8.300 nan 0.000 0.475 244 R N 0.521 121.138 120.500 0.195 0.000 2.097 244 R HA -0.200 4.140 4.340 -0.000 0.000 0.236 244 R C 1.788 178.096 176.300 0.014 0.000 1.135 244 R CA 2.418 58.573 56.100 0.093 0.000 0.934 244 R CB -0.527 29.812 30.300 0.065 0.000 0.846 244 R HN 0.194 nan 8.270 nan 0.000 0.431 245 D N -0.131 120.240 120.400 -0.048 0.000 2.107 245 D HA -0.093 4.547 4.640 -0.000 0.000 0.204 245 D C 2.064 178.287 176.300 -0.129 0.000 0.978 245 D CA 1.064 55.014 54.000 -0.083 0.000 0.852 245 D CB -0.282 40.464 40.800 -0.090 0.000 1.008 245 D HN 0.289 nan 8.370 nan 0.000 0.458 246 E N 0.874 120.914 120.200 -0.266 0.000 2.107 246 E HA -0.083 4.267 4.350 -0.000 0.000 0.191 246 E C 0.912 177.400 176.600 -0.187 0.000 0.982 246 E CA 0.726 56.937 56.400 -0.314 0.000 0.809 246 E CB -0.124 29.163 29.700 -0.688 0.000 0.756 246 E HN 0.489 nan 8.360 nan 0.000 0.459 247 E N 0.313 120.435 120.200 -0.129 0.000 2.496 247 E HA 0.239 4.589 4.350 -0.000 0.000 0.202 247 E C 0.058 176.689 176.600 0.050 0.000 1.021 247 E CA -0.127 56.280 56.400 0.012 0.000 1.015 247 E CB 0.590 30.369 29.700 0.132 0.000 1.102 247 E HN 0.157 nan 8.360 nan 0.000 0.452 248 G N 2.670 111.476 108.800 0.010 0.000 2.196 248 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.261 248 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.261 248 G C 0.102 175.024 174.900 0.037 0.000 0.832 248 G CA 0.582 45.691 45.100 0.015 0.000 1.246 248 G HN 0.125 nan 8.290 nan 0.000 0.383 249 Q N -0.071 119.769 119.800 0.067 0.000 2.252 249 Q HA 0.470 4.810 4.340 -0.000 0.000 0.256 249 Q C -0.637 175.390 176.000 0.045 0.000 1.020 249 Q CA -0.572 55.278 55.803 0.079 0.000 0.913 249 Q CB 1.382 30.229 28.738 0.181 0.000 1.286 249 Q HN 0.445 nan 8.270 nan 0.000 0.480 250 D N 0.418 120.830 120.400 0.019 0.000 2.464 250 D HA 0.332 4.972 4.640 -0.000 0.000 0.243 250 D C -0.792 175.650 176.300 0.237 0.000 1.104 250 D CA -0.136 53.895 54.000 0.052 0.000 0.883 250 D CB 1.184 41.935 40.800 -0.081 0.000 1.050 250 D HN 0.050 nan 8.370 nan 0.000 0.524 251 V N 1.710 121.755 119.914 0.218 0.000 2.997 251 V HA 0.462 4.582 4.120 -0.000 0.000 0.311 251 V C 0.262 176.386 176.094 0.050 0.000 1.066 251 V CA -0.917 61.500 62.300 0.195 0.000 1.039 251 V CB 1.520 33.436 31.823 0.155 0.000 1.081 251 V HN 0.369 nan 8.190 nan 0.000 0.467 252 L N 3.185 124.369 121.223 -0.064 0.000 2.316 252 L HA 0.487 4.827 4.340 -0.000 0.000 0.280 252 L C -0.974 175.761 176.870 -0.226 0.000 1.006 252 L CA -0.480 54.195 54.840 -0.275 0.000 0.836 252 L CB 1.548 43.426 42.059 -0.301 0.000 1.221 252 L HN 0.451 nan 8.230 nan 0.000 0.418 253 L N 4.004 125.000 121.223 -0.378 0.000 2.307 253 L HA 0.613 4.953 4.340 -0.000 0.000 0.284 253 L C -1.239 175.294 176.870 -0.561 0.000 1.023 253 L CA 0.180 54.839 54.840 -0.302 0.000 0.810 253 L CB 1.169 43.112 42.059 -0.192 0.000 1.231 253 L HN 0.190 nan 8.230 nan 0.000 0.423 254 F N 5.755 125.602 119.950 -0.171 0.000 2.518 254 F HA 0.606 5.133 4.527 -0.000 0.000 0.323 254 F C -0.335 175.097 175.800 -0.612 0.000 1.129 254 F CA -0.434 57.368 58.000 -0.329 0.000 0.920 254 F CB 1.659 40.524 39.000 -0.226 0.000 1.160 254 F HN 0.208 nan 8.300 nan 0.000 0.440 255 I N 3.053 123.415 120.570 -0.347 0.000 2.468 255 I HA 0.299 4.469 4.170 -0.000 0.000 0.285 255 I C -1.404 174.528 176.117 -0.307 0.000 1.039 255 I CA -0.400 60.657 61.300 -0.404 0.000 1.074 255 I CB 1.830 39.660 38.000 -0.282 0.000 1.228 255 I HN 0.387 nan 8.210 nan 0.000 0.436 256 D N 6.211 126.403 120.400 -0.348 0.000 2.473 256 D HA 0.279 4.919 4.640 -0.000 0.000 0.253 256 D C -1.362 174.908 176.300 -0.049 0.000 1.233 256 D CA -0.246 53.697 54.000 -0.096 0.000 0.908 256 D CB 1.207 42.053 40.800 0.077 0.000 1.170 256 D HN 0.360 nan 8.370 nan 0.000 0.558 257 N N 3.929 122.624 118.700 -0.009 0.000 2.258 257 N HA 0.235 4.975 4.740 -0.000 0.000 0.299 257 N C 0.521 176.047 175.510 0.028 0.000 1.047 257 N CA -0.484 52.582 53.050 0.026 0.000 0.814 257 N CB 1.901 40.457 38.487 0.114 0.000 1.413 257 N HN 0.434 nan 8.380 nan 0.000 0.478 258 I N 3.165 123.734 120.570 -0.002 0.000 2.676 258 I HA -0.070 4.100 4.170 -0.000 0.000 0.259 258 I C 1.666 177.850 176.117 0.111 0.000 1.194 258 I CA 0.619 61.915 61.300 -0.008 0.000 1.473 258 I CB -0.091 37.838 38.000 -0.117 0.000 1.096 258 I HN 0.577 nan 8.210 nan 0.000 0.443 259 F N 1.598 121.560 119.950 0.020 0.000 2.171 259 F HA -0.212 4.315 4.527 -0.000 0.000 0.300 259 F C 2.378 178.212 175.800 0.056 0.000 1.090 259 F CA 1.437 59.475 58.000 0.063 0.000 1.293 259 F CB -0.313 38.768 39.000 0.134 0.000 1.013 259 F HN -0.078 nan 8.300 nan 0.000 0.486 260 R N 0.018 120.526 120.500 0.014 0.000 2.159 260 R HA -0.222 4.118 4.340 -0.000 0.000 0.237 260 R C 2.193 178.404 176.300 -0.148 0.000 1.131 260 R CA 1.570 57.607 56.100 -0.106 0.000 0.982 260 R CB -1.525 28.785 30.300 0.017 0.000 0.868 260 R HN 0.523 nan 8.270 nan 0.000 0.453 261 F N 1.352 121.173 119.950 -0.215 0.000 2.146 261 F HA -0.141 4.386 4.527 -0.000 0.000 0.298 261 F C 2.013 177.672 175.800 -0.234 0.000 1.096 261 F CA 1.522 59.408 58.000 -0.190 0.000 1.275 261 F CB -0.394 38.509 39.000 -0.161 0.000 1.008 261 F HN -0.181 nan 8.300 nan 0.000 0.480 262 T N 0.321 114.486 114.554 -0.648 0.000 2.809 262 T HA -0.168 4.182 4.350 -0.000 0.000 0.260 262 T C 1.918 176.236 174.700 -0.636 0.000 1.039 262 T CA 1.252 62.893 62.100 -0.765 0.000 1.141 262 T CB -0.347 68.189 68.868 -0.552 0.000 0.869 262 T HN 0.374 nan 8.240 nan 0.000 0.437 263 Q N 0.547 119.904 119.800 -0.738 0.000 2.133 263 Q HA -0.192 4.148 4.340 -0.000 0.000 0.208 263 Q C 2.348 178.202 176.000 -0.243 0.000 0.991 263 Q CA 1.862 57.380 55.803 -0.474 0.000 0.867 263 Q CB -0.255 28.174 28.738 -0.514 0.000 0.911 263 Q HN 0.544 nan 8.270 nan 0.000 0.417 264 A N -0.447 122.215 122.820 -0.264 0.000 2.067 264 A HA 0.046 4.366 4.320 -0.000 0.000 0.217 264 A C 1.957 179.426 177.584 -0.192 0.000 1.156 264 A CA 1.038 52.971 52.037 -0.173 0.000 0.683 264 A CB -0.351 18.570 19.000 -0.132 0.000 0.808 264 A HN 0.507 nan 8.150 nan 0.000 0.455 265 G N -0.279 108.332 108.800 -0.315 0.000 2.848 265 G HA2 0.124 4.084 3.960 -0.000 0.000 0.208 265 G HA3 0.124 4.084 3.960 -0.000 0.000 0.208 265 G C 1.404 176.200 174.900 -0.174 0.000 1.152 265 G CA 1.215 46.141 45.100 -0.291 0.000 0.789 265 G HN 0.743 nan 8.290 nan 0.000 0.531 266 S N -0.778 114.853 115.700 -0.116 0.000 2.564 266 S HA 0.114 4.584 4.470 -0.000 0.000 0.231 266 S C 1.634 176.236 174.600 0.003 0.000 1.067 266 S CA 0.352 58.552 58.200 -0.001 0.000 0.908 266 S CB -0.001 63.287 63.200 0.148 0.000 0.809 266 S HN 0.346 nan 8.310 nan 0.000 0.491 267 E N 1.492 121.680 120.200 -0.020 0.000 2.171 267 E HA -0.128 4.221 4.350 -0.000 0.000 0.197 267 E C 2.155 178.747 176.600 -0.013 0.000 0.997 267 E CA 1.786 58.178 56.400 -0.013 0.000 0.810 267 E CB -0.376 29.311 29.700 -0.023 0.000 0.738 267 E HN 0.694 nan 8.360 nan 0.000 0.467 268 V N -2.270 117.629 119.914 -0.025 0.000 2.878 268 V HA -0.037 4.083 4.120 -0.000 0.000 0.250 268 V C 2.264 178.352 176.094 -0.010 0.000 1.075 268 V CA 1.185 63.475 62.300 -0.018 0.000 1.096 268 V CB 0.176 31.985 31.823 -0.024 0.000 0.724 268 V HN 0.094 nan 8.190 nan 0.000 0.467 269 S N 1.624 117.317 115.700 -0.012 0.000 2.378 269 S HA -0.302 4.168 4.470 -0.000 0.000 0.229 269 S C 2.200 176.803 174.600 0.005 0.000 1.052 269 S CA 2.625 60.824 58.200 -0.002 0.000 1.084 269 S CB -0.765 62.440 63.200 0.009 0.000 0.950 269 S HN 1.069 nan 8.310 nan 0.000 0.440 270 A N 1.004 123.828 122.820 0.007 0.000 1.908 270 A HA -0.025 4.295 4.320 -0.000 0.000 0.218 270 A C 2.136 179.724 177.584 0.007 0.000 1.181 270 A CA 1.786 53.828 52.037 0.007 0.000 0.627 270 A CB -0.781 18.222 19.000 0.006 0.000 0.818 270 A HN 0.621 nan 8.150 nan 0.000 0.445 271 L N -1.254 119.973 121.223 0.005 0.000 2.492 271 L HA 0.121 4.461 4.340 -0.000 0.000 0.223 271 L C 1.587 178.462 176.870 0.010 0.000 1.132 271 L CA 0.217 55.061 54.840 0.007 0.000 0.850 271 L CB -0.158 41.904 42.059 0.006 0.000 0.966 271 L HN 0.261 nan 8.230 nan 0.000 0.454 272 L N 0.054 121.281 121.223 0.008 0.000 2.667 272 L HA 0.298 4.638 4.340 -0.000 0.000 0.232 272 L C 0.952 177.828 176.870 0.011 0.000 1.138 272 L CA -0.055 54.791 54.840 0.010 0.000 0.921 272 L CB 0.014 42.076 42.059 0.005 0.000 1.180 272 L HN 0.368 nan 8.230 nan 0.000 0.487 273 G N 1.630 110.436 108.800 0.011 0.000 2.324 273 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.292 273 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.292 273 G C -0.074 174.832 174.900 0.010 0.000 1.079 273 G CA -0.079 45.028 45.100 0.011 0.000 1.026 273 G HN 0.413 nan 8.290 nan 0.000 0.506 274 R N -0.357 120.149 120.500 0.010 0.000 2.467 274 R HA 0.421 4.761 4.340 -0.000 0.000 0.299 274 R C 0.854 177.162 176.300 0.014 0.000 1.120 274 R CA -0.947 55.160 56.100 0.011 0.000 0.940 274 R CB 1.043 31.349 30.300 0.010 0.000 1.161 274 R HN 0.361 nan 8.270 nan 0.000 0.506 275 I N 4.805 125.383 120.570 0.013 0.000 3.045 275 I HA -0.099 4.071 4.170 -0.000 0.000 0.306 275 I C -1.636 174.493 176.117 0.019 0.000 1.232 275 I CA -0.656 60.653 61.300 0.014 0.000 1.415 275 I CB -0.072 37.935 38.000 0.013 0.000 1.364 275 I HN 0.241 nan 8.210 nan 0.000 0.538 276 P HA 0.032 nan 4.420 nan 0.000 0.268 276 P C -0.131 177.191 177.300 0.037 0.000 1.208 276 P CA 0.067 63.185 63.100 0.030 0.000 0.777 276 P CB 0.777 32.488 31.700 0.019 0.000 0.875 277 S N 0.923 116.659 115.700 0.059 0.000 2.561 277 S HA 0.667 5.137 4.470 -0.000 0.000 0.282 277 S C -0.306 174.337 174.600 0.073 0.000 1.123 277 S CA -0.412 57.828 58.200 0.068 0.000 1.011 277 S CB 0.081 63.332 63.200 0.085 0.000 1.244 277 S HN 0.517 nan 8.310 nan 0.000 0.503 278 A N 0.404 123.278 122.820 0.090 0.000 2.565 278 A HA 0.358 4.678 4.320 -0.000 0.000 0.237 278 A C 0.871 178.496 177.584 0.068 0.000 1.053 278 A CA 0.454 52.540 52.037 0.082 0.000 0.755 278 A CB -0.879 18.184 19.000 0.105 0.000 0.980 278 A HN 1.564 nan 8.150 nan 0.000 0.506 279 V N 1.548 121.451 119.914 -0.018 0.000 4.349 279 V HA -0.292 3.828 4.120 -0.000 0.000 0.247 279 V C 1.676 177.605 176.094 -0.275 0.000 0.442 279 V CA 1.566 63.776 62.300 -0.150 0.000 0.865 279 V CB -2.491 29.215 31.823 -0.196 0.000 0.887 279 V HN 2.892 nan 8.190 nan 0.000 1.302 280 G N -2.264 106.462 108.800 -0.123 0.000 2.225 280 G HA2 -0.340 3.619 3.960 -0.000 0.000 0.267 280 G HA3 -0.340 3.619 3.960 -0.000 0.000 0.267 280 G C -0.235 174.628 174.900 -0.062 0.000 1.024 280 G CA 0.686 45.730 45.100 -0.093 0.000 0.784 280 G HN 0.870 nan 8.290 nan 0.000 0.507 281 Y N 0.608 120.918 120.300 0.017 0.000 2.354 281 Y HA 0.464 5.013 4.550 -0.000 0.000 0.322 281 Y C 1.198 177.094 175.900 -0.006 0.000 1.253 281 Y CA -1.300 56.803 58.100 0.005 0.000 1.272 281 Y CB 0.668 39.140 38.460 0.020 0.000 1.255 281 Y HN 0.460 nan 8.280 nan 0.000 0.500 282 Q N 2.623 122.527 119.800 0.173 0.000 2.432 282 Q HA 0.075 4.415 4.340 -0.000 0.000 0.264 282 Q C -2.338 173.695 176.000 0.055 0.000 1.035 282 Q CA -1.394 54.447 55.803 0.065 0.000 0.908 282 Q CB 0.512 29.250 28.738 0.001 0.000 1.280 282 Q HN 0.357 nan 8.270 nan 0.000 0.455 283 P HA -0.096 nan 4.420 nan 0.000 0.217 283 P C 1.108 178.421 177.300 0.022 0.000 1.151 283 P CA 1.894 65.014 63.100 0.033 0.000 0.828 283 P CB -0.148 31.567 31.700 0.025 0.000 0.788 284 T N -2.935 111.624 114.554 0.008 0.000 3.227 284 T HA -0.014 4.336 4.350 -0.000 0.000 0.257 284 T C 1.601 176.298 174.700 -0.006 0.000 1.162 284 T CA 0.044 62.146 62.100 0.003 0.000 1.051 284 T CB -1.278 67.588 68.868 -0.002 0.000 0.953 284 T HN -0.011 nan 8.240 nan 0.000 0.535 285 L N 0.924 122.133 121.223 -0.023 0.000 2.021 285 L HA -0.158 4.182 4.340 -0.000 0.000 0.215 285 L C 2.786 179.660 176.870 0.007 0.000 1.074 285 L CA 2.120 56.926 54.840 -0.058 0.000 0.760 285 L CB -0.775 41.224 42.059 -0.099 0.000 0.889 285 L HN 0.379 nan 8.230 nan 0.000 0.433 286 A N -0.997 121.846 122.820 0.040 0.000 1.897 286 A HA -0.180 4.140 4.320 -0.000 0.000 0.215 286 A C 2.382 180.025 177.584 0.098 0.000 1.181 286 A CA 2.000 54.086 52.037 0.081 0.000 0.620 286 A CB -1.157 17.885 19.000 0.070 0.000 0.821 286 A HN 0.649 nan 8.150 nan 0.000 0.443 287 T N -2.724 111.872 114.554 0.070 0.000 2.896 287 T HA -0.101 4.249 4.350 -0.000 0.000 0.263 287 T C 1.323 176.076 174.700 0.087 0.000 1.050 287 T CA 1.484 63.627 62.100 0.072 0.000 1.140 287 T CB -0.457 68.439 68.868 0.048 0.000 0.877 287 T HN 0.250 nan 8.240 nan 0.000 0.457 288 D N 0.420 120.869 120.400 0.081 0.000 2.263 288 D HA 0.028 4.667 4.640 -0.000 0.000 0.208 288 D C 1.802 178.243 176.300 0.236 0.000 0.971 288 D CA 0.741 54.815 54.000 0.123 0.000 0.867 288 D CB -0.219 40.602 40.800 0.036 0.000 0.929 288 D HN 0.461 nan 8.370 nan 0.000 0.492 289 M N -0.694 119.013 119.600 0.178 0.000 2.299 289 M HA 0.080 4.560 4.480 -0.000 0.000 0.264 289 M C 2.048 178.363 176.300 0.025 0.000 1.095 289 M CA 1.172 56.559 55.300 0.145 0.000 1.165 289 M CB 0.070 32.727 32.600 0.095 0.000 1.349 289 M HN -0.009 nan 8.290 nan 0.000 0.446 290 G N 0.851 109.731 108.800 0.132 0.000 2.469 290 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.220 290 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.220 290 G C 1.257 176.202 174.900 0.075 0.000 1.136 290 G CA 0.720 45.923 45.100 0.172 0.000 0.759 290 G HN 0.449 nan 8.290 nan 0.000 0.562 291 L N -0.248 121.013 121.223 0.063 0.000 2.675 291 L HA 0.222 4.562 4.340 -0.000 0.000 0.239 291 L C 1.951 178.810 176.870 -0.019 0.000 1.151 291 L CA -0.178 54.688 54.840 0.043 0.000 0.905 291 L CB 0.165 42.271 42.059 0.078 0.000 1.057 291 L HN 0.251 nan 8.230 nan 0.000 0.435 292 L N -2.321 118.843 121.223 -0.097 0.000 2.678 292 L HA 0.097 4.437 4.340 -0.000 0.000 0.211 292 L C 2.122 178.864 176.870 -0.213 0.000 1.043 292 L CA 0.858 55.554 54.840 -0.239 0.000 0.881 292 L CB -0.143 41.599 42.059 -0.528 0.000 1.361 292 L HN -0.026 nan 8.230 nan 0.000 0.484 293 Q N 0.360 120.033 119.800 -0.212 0.000 2.167 293 Q HA -0.117 4.223 4.340 -0.000 0.000 0.202 293 Q C 1.502 177.471 176.000 -0.051 0.000 0.970 293 Q CA 1.252 56.938 55.803 -0.195 0.000 0.855 293 Q CB 0.091 28.585 28.738 -0.406 0.000 0.911 293 Q HN 0.552 nan 8.270 nan 0.000 0.438 294 E N 0.203 120.406 120.200 0.005 0.000 2.427 294 E HA -0.071 4.279 4.350 -0.000 0.000 0.196 294 E C 1.780 178.380 176.600 0.000 0.000 1.028 294 E CA 0.232 56.653 56.400 0.035 0.000 0.864 294 E CB 0.092 29.828 29.700 0.062 0.000 0.813 294 E HN 0.276 nan 8.360 nan 0.000 0.514 295 R N 0.240 120.722 120.500 -0.031 0.000 2.119 295 R HA 0.080 4.420 4.340 -0.000 0.000 0.222 295 R C 0.893 177.165 176.300 -0.046 0.000 1.088 295 R CA 0.392 56.469 56.100 -0.039 0.000 0.984 295 R CB 0.034 30.299 30.300 -0.059 0.000 0.884 295 R HN 0.042 nan 8.270 nan 0.000 0.447 296 I N 1.602 122.132 120.570 -0.066 0.000 2.293 296 I HA 0.045 4.214 4.170 -0.000 0.000 0.299 296 I C -0.013 176.075 176.117 -0.049 0.000 1.153 296 I CA 0.358 61.614 61.300 -0.073 0.000 1.302 296 I CB 0.734 38.666 38.000 -0.113 0.000 1.460 296 I HN -0.083 nan 8.210 nan 0.000 0.552 297 T N 2.743 117.275 114.554 -0.037 0.000 3.047 297 T HA 0.212 4.562 4.350 -0.000 0.000 0.340 297 T C -0.348 174.337 174.700 -0.025 0.000 1.421 297 T CA -0.521 61.563 62.100 -0.027 0.000 1.090 297 T CB 1.310 70.169 68.868 -0.015 0.000 1.292 297 T HN 0.297 nan 8.240 nan 0.000 0.480 298 T N 4.808 119.347 114.554 -0.025 0.000 2.754 298 T HA 0.374 4.724 4.350 -0.000 0.000 0.282 298 T C 1.039 175.722 174.700 -0.028 0.000 0.923 298 T CA 0.208 62.295 62.100 -0.021 0.000 1.164 298 T CB -0.177 68.679 68.868 -0.019 0.000 0.873 298 T HN 0.835 nan 8.240 nan 0.000 0.537 299 T N 1.731 116.269 114.554 -0.026 0.000 2.865 299 T HA 0.372 4.722 4.350 -0.000 0.000 0.302 299 T C 1.375 176.052 174.700 -0.038 0.000 1.078 299 T CA -0.682 61.396 62.100 -0.036 0.000 0.942 299 T CB 0.937 69.787 68.868 -0.030 0.000 1.387 299 T HN 0.376 nan 8.240 nan 0.000 0.557 300 K N -0.175 120.198 120.400 -0.044 0.000 2.243 300 K HA 0.120 4.440 4.320 -0.000 0.000 0.201 300 K C 2.306 178.888 176.600 -0.031 0.000 1.051 300 K CA 0.550 56.812 56.287 -0.041 0.000 0.970 300 K CB 0.042 32.513 32.500 -0.049 0.000 0.755 300 K HN 0.459 nan 8.250 nan 0.000 0.465 301 K N -0.081 120.302 120.400 -0.029 0.000 2.305 301 K HA 0.048 4.368 4.320 -0.000 0.000 0.199 301 K C 0.945 177.535 176.600 -0.017 0.000 1.047 301 K CA 0.594 56.866 56.287 -0.026 0.000 0.976 301 K CB 0.642 33.123 32.500 -0.032 0.000 0.765 301 K HN 0.140 nan 8.250 nan 0.000 0.474 302 G N -0.212 108.582 108.800 -0.010 0.000 2.706 302 G HA2 0.344 4.304 3.960 -0.000 0.000 0.307 302 G HA3 0.344 4.304 3.960 -0.000 0.000 0.307 302 G C -1.555 173.349 174.900 0.006 0.000 1.307 302 G CA -0.417 44.687 45.100 0.006 0.000 0.790 302 G HN -0.096 nan 8.290 nan 0.000 0.503 303 S N -1.142 114.570 115.700 0.021 0.000 2.668 303 S HA 0.574 5.044 4.470 -0.000 0.000 0.277 303 S C -1.281 173.340 174.600 0.035 0.000 1.170 303 S CA -0.425 57.786 58.200 0.019 0.000 0.994 303 S CB 1.349 64.558 63.200 0.016 0.000 1.051 303 S HN 0.808 nan 8.310 nan 0.000 0.484 304 V N 4.642 124.562 119.914 0.010 0.000 2.417 304 V HA 0.550 4.670 4.120 -0.000 0.000 0.291 304 V C -0.016 176.047 176.094 -0.052 0.000 1.024 304 V CA -0.494 61.800 62.300 -0.011 0.000 0.861 304 V CB 1.908 33.719 31.823 -0.021 0.000 0.985 304 V HN 0.895 nan 8.190 nan 0.000 0.436 305 T N 3.657 118.156 114.554 -0.091 0.000 2.771 305 T HA 0.556 4.906 4.350 -0.000 0.000 0.281 305 T C -0.089 174.452 174.700 -0.265 0.000 0.982 305 T CA -0.511 61.499 62.100 -0.150 0.000 0.978 305 T CB 1.224 70.015 68.868 -0.129 0.000 0.930 305 T HN 0.804 nan 8.240 nan 0.000 0.447 306 S N 1.579 117.121 115.700 -0.262 0.000 2.532 306 S HA 0.716 5.185 4.470 -0.000 0.000 0.299 306 S C -0.671 173.734 174.600 -0.324 0.000 1.105 306 S CA -0.857 57.150 58.200 -0.322 0.000 1.018 306 S CB 1.313 64.372 63.200 -0.235 0.000 1.021 306 S HN 0.435 nan 8.310 nan 0.000 0.483 307 V N 3.041 122.732 119.914 -0.370 0.000 2.384 307 V HA 0.500 4.620 4.120 -0.000 0.000 0.287 307 V C -0.446 175.554 176.094 -0.156 0.000 1.020 307 V CA -0.516 61.652 62.300 -0.220 0.000 0.850 307 V CB 1.138 32.923 31.823 -0.062 0.000 0.987 307 V HN 0.951 nan 8.190 nan 0.000 0.436 308 Q N 2.913 122.612 119.800 -0.169 0.000 2.325 308 Q HA 0.699 5.039 4.340 -0.000 0.000 0.270 308 Q C -0.329 175.564 176.000 -0.177 0.000 1.020 308 Q CA -0.617 55.074 55.803 -0.186 0.000 0.785 308 Q CB 2.583 31.177 28.738 -0.240 0.000 1.259 308 Q HN 0.902 nan 8.270 nan 0.000 0.452 309 A N 2.462 125.217 122.820 -0.109 0.000 2.409 309 A HA 0.448 4.768 4.320 -0.000 0.000 0.267 309 A C -0.221 177.293 177.584 -0.116 0.000 1.127 309 A CA -0.279 51.714 52.037 -0.074 0.000 0.795 309 A CB 0.308 19.322 19.000 0.022 0.000 1.061 309 A HN 0.488 nan 8.150 nan 0.000 0.502 310 V N 4.091 123.884 119.914 -0.201 0.000 2.357 310 V HA 0.144 4.264 4.120 -0.000 0.000 0.281 310 V C -0.627 175.418 176.094 -0.082 0.000 1.015 310 V CA -0.484 61.676 62.300 -0.234 0.000 0.827 310 V CB 0.452 31.801 31.823 -0.791 0.000 1.018 310 V HN 0.795 nan 8.190 nan 0.000 0.432 311 Y N 4.748 124.996 120.300 -0.085 0.000 2.496 311 Y HA 0.419 4.969 4.550 -0.000 0.000 0.334 311 Y C 0.087 175.688 175.900 -0.498 0.000 1.080 311 Y CA 0.057 58.010 58.100 -0.244 0.000 1.355 311 Y CB 1.103 39.431 38.460 -0.219 0.000 1.193 311 Y HN 0.426 nan 8.280 nan 0.000 0.523 312 V N 10.065 129.510 119.914 -0.781 0.000 2.304 312 V HA 0.272 4.392 4.120 -0.000 0.000 0.269 312 V C -2.065 173.536 176.094 -0.822 0.000 1.036 312 V CA -1.913 60.039 62.300 -0.579 0.000 0.840 312 V CB 0.569 32.266 31.823 -0.209 0.000 1.036 312 V HN 0.700 nan 8.190 nan 0.000 0.466 313 P HA 0.218 nan 4.420 nan 0.000 0.275 313 P C 0.502 177.729 177.300 -0.122 0.000 1.228 313 P CA 0.437 63.397 63.100 -0.233 0.000 0.786 313 P CB 1.247 33.004 31.700 0.096 0.000 0.927 314 A N 2.601 125.389 122.820 -0.055 0.000 2.790 314 A HA -0.252 4.068 4.320 -0.000 0.000 0.277 314 A C 0.782 178.328 177.584 -0.063 0.000 1.435 314 A CA 1.442 53.460 52.037 -0.031 0.000 0.877 314 A CB -2.600 16.402 19.000 0.002 0.000 1.007 314 A HN 0.628 nan 8.150 nan 0.000 0.613 315 D N -1.681 118.642 120.400 -0.127 0.000 2.911 315 D HA -0.187 4.453 4.640 -0.000 0.000 0.227 315 D C -0.219 176.037 176.300 -0.072 0.000 1.164 315 D CA 1.930 55.860 54.000 -0.115 0.000 0.782 315 D CB -1.159 39.595 40.800 -0.077 0.000 1.094 315 D HN 0.913 nan 8.370 nan 0.000 0.425 316 D N 0.427 120.792 120.400 -0.060 0.000 2.467 316 D HA 0.223 4.863 4.640 -0.000 0.000 0.220 316 D C 1.450 177.758 176.300 0.013 0.000 1.103 316 D CA -0.456 53.535 54.000 -0.016 0.000 0.886 316 D CB 0.182 40.985 40.800 0.005 0.000 1.025 316 D HN 0.122 nan 8.370 nan 0.000 0.514 317 L N 2.557 123.788 121.223 0.014 0.000 2.700 317 L HA -0.025 4.315 4.340 -0.000 0.000 0.240 317 L C 1.758 178.669 176.870 0.067 0.000 1.162 317 L CA 0.908 55.785 54.840 0.061 0.000 0.874 317 L CB -0.604 41.462 42.059 0.012 0.000 1.001 317 L HN 0.432 nan 8.230 nan 0.000 0.447 318 T N -6.236 108.349 114.554 0.052 0.000 3.010 318 T HA 0.031 4.381 4.350 -0.000 0.000 0.257 318 T C 0.531 175.297 174.700 0.111 0.000 1.020 318 T CA -0.484 61.651 62.100 0.057 0.000 0.938 318 T CB -0.140 68.738 68.868 0.017 0.000 1.049 318 T HN 0.124 nan 8.240 nan 0.000 0.522 319 D N 3.487 123.970 120.400 0.138 0.000 2.586 319 D HA 0.060 4.700 4.640 -0.000 0.000 0.234 319 D C -1.355 175.109 176.300 0.274 0.000 1.132 319 D CA -1.150 52.985 54.000 0.226 0.000 0.860 319 D CB 0.963 41.913 40.800 0.251 0.000 1.159 319 D HN 0.019 nan 8.370 nan 0.000 0.490 320 P HA -0.286 nan 4.420 nan 0.000 0.218 320 P C 0.732 178.127 177.300 0.158 0.000 1.152 320 P CA 2.034 65.269 63.100 0.224 0.000 0.857 320 P CB 0.057 31.925 31.700 0.280 0.000 0.787 321 A N 0.109 123.009 122.820 0.133 0.000 1.824 321 A HA -0.124 4.196 4.320 -0.000 0.000 0.215 321 A C -0.056 177.683 177.584 0.258 0.000 1.209 321 A CA 2.350 54.453 52.037 0.109 0.000 0.614 321 A CB -2.247 16.833 19.000 0.133 0.000 0.852 321 A HN 0.187 nan 8.150 nan 0.000 0.447 322 P HA -0.191 nan 4.420 nan 0.000 0.216 322 P C 1.655 179.225 177.300 0.450 0.000 1.150 322 P CA 2.164 65.498 63.100 0.389 0.000 0.843 322 P CB -0.302 31.601 31.700 0.339 0.000 0.787 323 A N 0.339 123.362 122.820 0.337 0.000 1.884 323 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 323 A C 2.203 179.982 177.584 0.326 0.000 1.197 323 A CA 3.102 55.313 52.037 0.291 0.000 0.637 323 A CB -2.058 17.047 19.000 0.174 0.000 0.827 323 A HN 0.317 nan 8.150 nan 0.000 0.450 324 T N -0.846 113.870 114.554 0.271 0.000 3.118 324 T HA 0.001 4.351 4.350 -0.000 0.000 0.260 324 T C 1.583 176.498 174.700 0.358 0.000 1.139 324 T CA 1.369 63.620 62.100 0.251 0.000 1.085 324 T CB -0.327 68.658 68.868 0.194 0.000 0.934 324 T HN 0.555 nan 8.240 nan 0.000 0.518 325 T N 1.516 116.314 114.554 0.408 0.000 2.896 325 T HA 0.099 4.449 4.350 -0.000 0.000 0.263 325 T C 1.459 176.405 174.700 0.411 0.000 1.050 325 T CA 0.440 62.789 62.100 0.416 0.000 1.140 325 T CB -0.493 68.504 68.868 0.215 0.000 0.877 325 T HN 0.306 nan 8.240 nan 0.000 0.457 326 F N 2.149 122.289 119.950 0.317 0.000 2.115 326 F HA -0.171 4.356 4.527 -0.000 0.000 0.300 326 F C 2.631 178.507 175.800 0.127 0.000 1.092 326 F CA 1.248 59.371 58.000 0.205 0.000 1.245 326 F CB -0.457 38.552 39.000 0.014 0.000 0.995 326 F HN 0.168 nan 8.300 nan 0.000 0.481 327 A N -1.816 121.148 122.820 0.241 0.000 2.167 327 A HA -0.115 4.205 4.320 -0.000 0.000 0.214 327 A C 1.679 179.265 177.584 0.003 0.000 1.151 327 A CA 0.792 52.877 52.037 0.079 0.000 0.735 327 A CB -0.895 18.102 19.000 -0.005 0.000 0.802 327 A HN 0.435 nan 8.150 nan 0.000 0.467 328 H N -0.797 118.331 119.070 0.096 0.000 2.555 328 H HA 0.215 4.771 4.556 -0.000 0.000 0.269 328 H C -0.249 175.092 175.328 0.022 0.000 0.988 328 H CA 0.706 56.782 56.048 0.046 0.000 1.178 328 H CB 0.024 29.801 29.762 0.026 0.000 1.373 328 H HN 0.339 nan 8.280 nan 0.000 0.588 329 L N 0.229 121.538 121.223 0.143 0.000 2.381 329 L HA 0.194 4.534 4.340 -0.000 0.000 0.268 329 L C 0.770 177.682 176.870 0.069 0.000 0.997 329 L CA -0.675 54.212 54.840 0.079 0.000 0.818 329 L CB 2.369 44.465 42.059 0.061 0.000 1.310 329 L HN -0.168 nan 8.230 nan 0.000 0.416 330 D N 1.598 122.017 120.400 0.032 0.000 2.194 330 D HA 0.053 4.693 4.640 -0.000 0.000 0.204 330 D C 0.490 176.825 176.300 0.059 0.000 0.964 330 D CA 0.874 54.896 54.000 0.038 0.000 0.846 330 D CB 0.552 41.361 40.800 0.015 0.000 0.962 330 D HN 0.514 nan 8.370 nan 0.000 0.490 331 A N 0.820 123.660 122.820 0.034 0.000 2.357 331 A HA 0.516 4.836 4.320 -0.000 0.000 0.295 331 A C -0.432 177.203 177.584 0.084 0.000 1.121 331 A CA -0.644 51.439 52.037 0.075 0.000 0.742 331 A CB 1.021 20.034 19.000 0.023 0.000 1.181 331 A HN -0.016 nan 8.150 nan 0.000 0.454 332 T N 0.154 114.807 114.554 0.166 0.000 2.791 332 T HA 0.640 4.990 4.350 -0.000 0.000 0.288 332 T C -0.205 174.616 174.700 0.203 0.000 0.999 332 T CA -0.370 61.849 62.100 0.197 0.000 0.952 332 T CB 0.890 69.881 68.868 0.205 0.000 0.938 332 T HN 0.968 nan 8.240 nan 0.000 0.444 333 T N 0.169 114.842 114.554 0.198 0.000 2.809 333 T HA 0.576 4.926 4.350 -0.000 0.000 0.296 333 T C -0.163 174.597 174.700 0.100 0.000 1.015 333 T CA -0.754 61.422 62.100 0.126 0.000 0.954 333 T CB 0.715 69.633 68.868 0.083 0.000 0.950 333 T HN 0.514 nan 8.240 nan 0.000 0.450 334 V N 5.466 125.430 119.914 0.082 0.000 2.432 334 V HA 0.366 4.486 4.120 -0.000 0.000 0.275 334 V C 0.458 176.565 176.094 0.021 0.000 1.043 334 V CA -0.866 61.480 62.300 0.077 0.000 0.925 334 V CB 0.701 32.553 31.823 0.048 0.000 0.985 334 V HN 0.829 nan 8.190 nan 0.000 0.466 335 L N 3.666 124.899 121.223 0.016 0.000 2.399 335 L HA 0.615 4.955 4.340 -0.000 0.000 0.266 335 L C 0.404 177.270 176.870 -0.007 0.000 1.114 335 L CA 0.067 54.901 54.840 -0.010 0.000 0.804 335 L CB 1.658 43.710 42.059 -0.011 0.000 1.146 335 L HN 0.727 nan 8.230 nan 0.000 0.451 336 S N 1.071 116.758 115.700 -0.023 0.000 2.614 336 S HA 0.310 4.780 4.470 -0.000 0.000 0.288 336 S C 0.512 175.086 174.600 -0.044 0.000 1.137 336 S CA -0.791 57.389 58.200 -0.033 0.000 0.992 336 S CB 1.721 64.899 63.200 -0.036 0.000 1.026 336 S HN 0.714 nan 8.310 nan 0.000 0.486 337 R N 3.470 123.948 120.500 -0.037 0.000 2.081 337 R HA -0.027 4.313 4.340 -0.000 0.000 0.235 337 R C 2.087 178.362 176.300 -0.043 0.000 1.131 337 R CA 2.131 58.212 56.100 -0.033 0.000 0.960 337 R CB -1.016 29.268 30.300 -0.026 0.000 0.856 337 R HN 0.823 nan 8.270 nan 0.000 0.436 338 G N 0.943 109.717 108.800 -0.043 0.000 2.440 338 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.218 338 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.218 338 G C 1.431 176.298 174.900 -0.054 0.000 1.154 338 G CA 1.071 46.145 45.100 -0.043 0.000 0.767 338 G HN 0.309 nan 8.290 nan 0.000 0.552 339 I N 1.350 121.879 120.570 -0.069 0.000 2.286 339 I HA -0.141 4.029 4.170 -0.000 0.000 0.245 339 I C 3.159 179.168 176.117 -0.180 0.000 1.104 339 I CA 1.340 62.585 61.300 -0.092 0.000 1.397 339 I CB -0.228 37.726 38.000 -0.076 0.000 1.072 339 I HN 0.346 nan 8.210 nan 0.000 0.417 340 S N 0.464 116.030 115.700 -0.224 0.000 2.399 340 S HA -0.217 4.253 4.470 -0.000 0.000 0.231 340 S C 1.754 176.222 174.600 -0.220 0.000 1.022 340 S CA 1.328 59.289 58.200 -0.399 0.000 0.983 340 S CB -0.438 62.644 63.200 -0.197 0.000 0.803 340 S HN 0.463 nan 8.310 nan 0.000 0.480 341 E N 0.623 120.767 120.200 -0.092 0.000 2.347 341 E HA 0.157 4.507 4.350 -0.000 0.000 0.196 341 E C 1.220 177.808 176.600 -0.021 0.000 1.008 341 E CA 0.536 56.920 56.400 -0.027 0.000 0.852 341 E CB -0.177 29.515 29.700 -0.014 0.000 0.783 341 E HN 0.589 nan 8.360 nan 0.000 0.505 342 L N -0.671 120.524 121.223 -0.047 0.000 2.627 342 L HA 0.226 4.566 4.340 -0.000 0.000 0.232 342 L C 1.373 178.242 176.870 -0.001 0.000 1.150 342 L CA 0.212 55.041 54.840 -0.020 0.000 0.917 342 L CB -0.017 42.035 42.059 -0.011 0.000 1.104 342 L HN 0.226 nan 8.230 nan 0.000 0.445 343 G N 0.431 109.221 108.800 -0.016 0.000 2.189 343 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.267 343 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.267 343 G C 0.422 175.375 174.900 0.089 0.000 0.975 343 G CA -0.136 45.027 45.100 0.105 0.000 0.644 343 G HN 0.230 nan 8.290 nan 0.000 0.537 344 I N 0.686 121.202 120.570 -0.090 0.000 2.517 344 I HA 0.393 4.563 4.170 -0.000 0.000 0.285 344 I C 0.070 175.948 176.117 -0.398 0.000 1.106 344 I CA -0.184 61.069 61.300 -0.078 0.000 1.402 344 I CB -0.561 37.423 38.000 -0.027 0.000 1.399 344 I HN 0.074 nan 8.210 nan 0.000 0.535 345 Y N 6.750 127.024 120.300 -0.044 0.000 2.470 345 Y HA 0.392 4.942 4.550 -0.000 0.000 0.341 345 Y C -2.209 173.510 175.900 -0.301 0.000 1.021 345 Y CA -2.439 55.578 58.100 -0.138 0.000 1.025 345 Y CB 2.221 40.591 38.460 -0.150 0.000 1.266 345 Y HN 0.421 nan 8.280 nan 0.000 0.448 346 P HA 0.134 nan 4.420 nan 0.000 0.271 346 P C -0.381 176.969 177.300 0.084 0.000 1.216 346 P CA -0.165 62.984 63.100 0.082 0.000 0.776 346 P CB 1.163 33.048 31.700 0.308 0.000 0.881 347 A N 3.904 126.762 122.820 0.064 0.000 2.958 347 A HA 0.204 4.524 4.320 -0.000 0.000 0.247 347 A C 0.447 178.020 177.584 -0.018 0.000 1.679 347 A CA -0.257 51.742 52.037 -0.064 0.000 1.345 347 A CB -1.218 17.701 19.000 -0.136 0.000 1.013 347 A HN 0.381 nan 8.150 nan 0.000 0.641 348 V N 1.501 121.425 119.914 0.016 0.000 2.455 348 V HA 0.048 4.168 4.120 -0.000 0.000 0.273 348 V C 0.500 176.598 176.094 0.007 0.000 1.045 348 V CA -0.653 61.654 62.300 0.013 0.000 0.976 348 V CB 1.106 32.962 31.823 0.053 0.000 0.993 348 V HN 0.616 nan 8.190 nan 0.000 0.475 349 D N 8.438 128.838 120.400 -0.000 0.000 2.363 349 D HA 0.084 4.724 4.640 -0.000 0.000 0.263 349 D C -1.412 174.890 176.300 0.003 0.000 1.258 349 D CA -1.292 52.707 54.000 -0.003 0.000 0.907 349 D CB 1.836 42.630 40.800 -0.010 0.000 1.107 349 D HN 0.322 nan 8.370 nan 0.000 0.495 350 P HA -0.019 nan 4.420 nan 0.000 0.237 350 P C 1.273 178.564 177.300 -0.016 0.000 1.178 350 P CA 0.418 63.512 63.100 -0.011 0.000 0.766 350 P CB 0.469 32.160 31.700 -0.015 0.000 0.876 351 L N -1.196 120.020 121.223 -0.012 0.000 2.362 351 L HA 0.145 4.485 4.340 -0.000 0.000 0.204 351 L C 2.269 179.128 176.870 -0.019 0.000 1.060 351 L CA 0.641 55.470 54.840 -0.019 0.000 0.827 351 L CB -0.714 41.332 42.059 -0.022 0.000 1.027 351 L HN -0.146 nan 8.230 nan 0.000 0.474 352 D N 0.272 120.662 120.400 -0.018 0.000 2.123 352 D HA -0.048 4.592 4.640 -0.000 0.000 0.200 352 D C 0.858 177.168 176.300 0.015 0.000 0.976 352 D CA 0.567 54.555 54.000 -0.021 0.000 0.831 352 D CB 0.178 40.961 40.800 -0.028 0.000 0.974 352 D HN 0.020 nan 8.370 nan 0.000 0.469 353 S N 0.482 116.203 115.700 0.036 0.000 2.560 353 S HA 0.175 4.645 4.470 -0.000 0.000 0.284 353 S C 0.274 174.920 174.600 0.075 0.000 1.327 353 S CA 0.250 58.494 58.200 0.073 0.000 1.055 353 S CB 1.021 64.264 63.200 0.072 0.000 0.868 353 S HN 0.081 nan 8.310 nan 0.000 0.506 354 K N 0.616 121.083 120.400 0.112 0.000 2.556 354 K HA 0.541 4.861 4.320 -0.000 0.000 0.274 354 K C -1.222 175.458 176.600 0.133 0.000 0.966 354 K CA -0.659 55.691 56.287 0.105 0.000 0.865 354 K CB 2.157 34.711 32.500 0.090 0.000 1.444 354 K HN 0.728 nan 8.250 nan 0.000 0.433 355 S N -0.000 115.770 115.700 0.116 0.000 2.550 355 S HA 0.375 4.845 4.470 -0.000 0.000 0.270 355 S C 0.490 175.142 174.600 0.088 0.000 1.145 355 S CA -0.900 57.370 58.200 0.118 0.000 0.852 355 S CB 2.094 65.386 63.200 0.153 0.000 1.119 355 S HN 0.686 nan 8.310 nan 0.000 0.465 356 R N 0.355 120.899 120.500 0.074 0.000 2.133 356 R HA -0.056 4.284 4.340 -0.000 0.000 0.247 356 R C 1.469 177.792 176.300 0.039 0.000 1.151 356 R CA 1.877 58.007 56.100 0.050 0.000 0.971 356 R CB -0.810 29.515 30.300 0.041 0.000 0.866 356 R HN 0.694 nan 8.270 nan 0.000 0.447 357 L N 0.805 122.056 121.223 0.046 0.000 2.551 357 L HA -0.047 4.293 4.340 -0.000 0.000 0.228 357 L C 0.841 177.713 176.870 0.003 0.000 1.153 357 L CA -0.102 54.752 54.840 0.024 0.000 0.851 357 L CB -0.139 41.944 42.059 0.040 0.000 0.959 357 L HN 0.099 nan 8.230 nan 0.000 0.451 358 L N 1.360 122.606 121.223 0.038 0.000 2.382 358 L HA 0.187 4.527 4.340 -0.000 0.000 0.259 358 L C -0.386 176.543 176.870 0.098 0.000 1.291 358 L CA 0.545 55.434 54.840 0.082 0.000 1.176 358 L CB -0.474 41.665 42.059 0.133 0.000 1.373 358 L HN 0.004 nan 8.230 nan 0.000 0.426 359 D N 1.568 121.938 120.400 -0.051 0.000 2.732 359 D HA 0.387 5.027 4.640 -0.000 0.000 0.229 359 D C 0.634 176.769 176.300 -0.275 0.000 1.152 359 D CA 0.170 54.025 54.000 -0.241 0.000 0.854 359 D CB 2.374 43.089 40.800 -0.141 0.000 1.590 359 D HN 0.319 nan 8.370 nan 0.000 0.468 360 A N 2.891 125.444 122.820 -0.446 0.000 1.849 360 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 360 A C 1.910 179.427 177.584 -0.112 0.000 1.202 360 A CA 2.472 54.371 52.037 -0.230 0.000 0.629 360 A CB -1.058 17.811 19.000 -0.220 0.000 0.834 360 A HN 0.678 nan 8.150 nan 0.000 0.447 361 A N -1.231 121.523 122.820 -0.110 0.000 2.259 361 A HA 0.225 4.545 4.320 -0.000 0.000 0.212 361 A C 1.564 179.119 177.584 -0.047 0.000 1.178 361 A CA 1.549 53.549 52.037 -0.063 0.000 0.734 361 A CB -0.443 18.522 19.000 -0.058 0.000 0.774 361 A HN 0.523 nan 8.150 nan 0.000 0.481 362 V N -1.547 118.332 119.914 -0.058 0.000 3.612 362 V HA 0.014 4.134 4.120 -0.000 0.000 0.268 362 V C 1.533 177.603 176.094 -0.040 0.000 1.365 362 V CA 1.105 63.381 62.300 -0.041 0.000 1.044 362 V CB 0.916 32.715 31.823 -0.040 0.000 0.820 362 V HN 0.587 nan 8.190 nan 0.000 0.444 363 V N -2.800 117.079 119.914 -0.058 0.000 3.382 363 V HA 0.800 4.920 4.120 -0.000 0.000 0.296 363 V C 0.662 176.778 176.094 0.037 0.000 1.529 363 V CA 0.130 62.395 62.300 -0.058 0.000 1.048 363 V CB -0.086 31.525 31.823 -0.352 0.000 0.878 363 V HN 0.779 nan 8.190 nan 0.000 0.442 364 G N 0.844 109.660 108.800 0.027 0.000 2.755 364 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.686 364 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.686 364 G C 0.122 175.079 174.900 0.096 0.000 1.427 364 G CA 0.282 45.415 45.100 0.056 0.000 0.873 364 G HN 0.294 nan 8.290 nan 0.000 0.580 365 Q N 0.208 120.059 119.800 0.086 0.000 1.998 365 Q HA -0.181 4.159 4.340 -0.000 0.000 0.209 365 Q C 2.451 178.552 176.000 0.168 0.000 1.002 365 Q CA 2.454 58.330 55.803 0.121 0.000 0.858 365 Q CB -0.501 28.288 28.738 0.085 0.000 0.932 365 Q HN 0.871 nan 8.270 nan 0.000 0.416 366 E N -0.314 119.969 120.200 0.137 0.000 2.055 366 E HA -0.289 4.061 4.350 -0.000 0.000 0.209 366 E C 2.031 178.738 176.600 0.178 0.000 1.036 366 E CA 1.809 58.288 56.400 0.133 0.000 0.849 366 E CB -0.302 29.462 29.700 0.107 0.000 0.767 366 E HN 0.545 nan 8.360 nan 0.000 0.461 367 H N -1.777 117.341 119.070 0.081 0.000 2.387 367 H HA -0.209 4.347 4.556 -0.000 0.000 0.299 367 H C 2.068 177.443 175.328 0.078 0.000 1.099 367 H CA 1.640 57.730 56.048 0.070 0.000 1.315 367 H CB -0.031 29.773 29.762 0.070 0.000 1.380 367 H HN 0.271 nan 8.280 nan 0.000 0.513 368 Y N 0.880 121.265 120.300 0.142 0.000 2.337 368 Y HA -0.087 4.463 4.550 -0.000 0.000 0.293 368 Y C 1.551 177.489 175.900 0.064 0.000 1.123 368 Y CA 1.268 59.400 58.100 0.055 0.000 1.201 368 Y CB 0.132 38.590 38.460 -0.004 0.000 1.011 368 Y HN 0.271 nan 8.280 nan 0.000 0.545 369 D N -0.952 119.521 120.400 0.122 0.000 2.234 369 D HA -0.114 4.526 4.640 -0.000 0.000 0.205 369 D C 2.237 178.534 176.300 -0.005 0.000 0.962 369 D CA 0.948 54.974 54.000 0.043 0.000 0.855 369 D CB -0.027 40.829 40.800 0.093 0.000 0.951 369 D HN 0.263 nan 8.370 nan 0.000 0.500 370 V N 0.826 120.758 119.914 0.029 0.000 2.346 370 V HA -0.086 4.034 4.120 -0.000 0.000 0.244 370 V C 2.397 178.466 176.094 -0.042 0.000 1.037 370 V CA 1.506 63.817 62.300 0.018 0.000 1.029 370 V CB -0.544 31.306 31.823 0.044 0.000 0.663 370 V HN 0.169 nan 8.190 nan 0.000 0.454 371 A N -0.775 122.012 122.820 -0.055 0.000 2.019 371 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 371 A C 2.470 179.936 177.584 -0.196 0.000 1.164 371 A CA 2.217 54.181 52.037 -0.121 0.000 0.644 371 A CB -0.525 18.433 19.000 -0.069 0.000 0.805 371 A HN 0.480 nan 8.150 nan 0.000 0.449 372 S N -0.525 115.011 115.700 -0.274 0.000 2.357 372 S HA -0.084 4.386 4.470 -0.000 0.000 0.221 372 S C 1.919 176.448 174.600 -0.118 0.000 1.031 372 S CA 1.492 59.540 58.200 -0.253 0.000 0.982 372 S CB -0.156 62.848 63.200 -0.326 0.000 0.853 372 S HN 0.662 nan 8.310 nan 0.000 0.458 373 K N 0.668 121.023 120.400 -0.075 0.000 2.211 373 K HA 0.043 4.363 4.320 -0.000 0.000 0.203 373 K C 1.873 178.464 176.600 -0.015 0.000 1.050 373 K CA 0.591 56.862 56.287 -0.026 0.000 0.945 373 K CB -0.166 32.335 32.500 0.003 0.000 0.732 373 K HN 0.123 nan 8.250 nan 0.000 0.451 374 V N 1.729 121.623 119.914 -0.033 0.000 2.270 374 V HA -0.275 3.845 4.120 -0.000 0.000 0.245 374 V C 2.200 178.277 176.094 -0.028 0.000 1.043 374 V CA 1.750 64.034 62.300 -0.027 0.000 1.014 374 V CB -0.369 31.393 31.823 -0.102 0.000 0.645 374 V HN 0.340 nan 8.190 nan 0.000 0.447 375 Q N -0.615 119.152 119.800 -0.055 0.000 2.124 375 Q HA -0.234 4.106 4.340 -0.000 0.000 0.202 375 Q C 2.263 178.252 176.000 -0.018 0.000 0.977 375 Q CA 1.686 57.465 55.803 -0.040 0.000 0.850 375 Q CB -0.173 28.528 28.738 -0.061 0.000 0.901 375 Q HN 0.680 nan 8.270 nan 0.000 0.429 376 E N -0.109 120.078 120.200 -0.022 0.000 2.049 376 E HA -0.206 4.143 4.350 -0.000 0.000 0.198 376 E C 2.048 178.657 176.600 0.014 0.000 1.007 376 E CA 1.820 58.216 56.400 -0.006 0.000 0.809 376 E CB -0.043 29.652 29.700 -0.008 0.000 0.749 376 E HN 0.340 nan 8.360 nan 0.000 0.450 377 T N 1.497 116.062 114.554 0.017 0.000 2.708 377 T HA -0.143 4.207 4.350 -0.000 0.000 0.266 377 T C 1.975 176.712 174.700 0.062 0.000 1.037 377 T CA 0.892 63.011 62.100 0.031 0.000 1.146 377 T CB -0.236 68.646 68.868 0.024 0.000 0.865 377 T HN 0.086 nan 8.240 nan 0.000 0.435 378 L N 0.761 122.020 121.223 0.061 0.000 2.131 378 L HA -0.118 4.222 4.340 -0.000 0.000 0.210 378 L C 2.837 179.775 176.870 0.113 0.000 1.092 378 L CA 1.047 55.953 54.840 0.109 0.000 0.759 378 L CB -0.383 41.719 42.059 0.071 0.000 0.903 378 L HN 0.238 nan 8.230 nan 0.000 0.435 379 Q N -0.282 119.552 119.800 0.057 0.000 2.096 379 Q HA -0.126 4.214 4.340 -0.000 0.000 0.197 379 Q C 2.022 178.046 176.000 0.040 0.000 0.964 379 Q CA 2.070 57.890 55.803 0.029 0.000 0.838 379 Q CB -0.346 28.395 28.738 0.006 0.000 0.906 379 Q HN 0.277 nan 8.270 nan 0.000 0.444 380 T N 0.351 114.940 114.554 0.059 0.000 2.737 380 T HA -0.184 4.166 4.350 -0.000 0.000 0.269 380 T C 1.208 175.976 174.700 0.112 0.000 1.040 380 T CA 1.545 63.684 62.100 0.065 0.000 1.142 380 T CB -0.540 68.364 68.868 0.060 0.000 0.861 380 T HN 0.421 nan 8.240 nan 0.000 0.456 381 Y N 1.836 122.130 120.300 -0.011 0.000 2.220 381 Y HA 0.054 4.604 4.550 -0.000 0.000 0.291 381 Y C 2.268 178.161 175.900 -0.012 0.000 1.129 381 Y CA 0.905 58.998 58.100 -0.011 0.000 1.161 381 Y CB -0.310 38.144 38.460 -0.010 0.000 0.997 381 Y HN -0.014 nan 8.280 nan 0.000 0.522 382 K N -0.337 119.982 120.400 -0.135 0.000 2.032 382 K HA -0.165 4.155 4.320 -0.000 0.000 0.209 382 K C 2.252 178.768 176.600 -0.139 0.000 1.048 382 K CA 1.572 57.733 56.287 -0.210 0.000 0.927 382 K CB -0.322 32.108 32.500 -0.117 0.000 0.712 382 K HN 0.244 nan 8.250 nan 0.000 0.441 383 S N 1.106 116.767 115.700 -0.065 0.000 2.420 383 S HA -0.104 4.366 4.470 -0.000 0.000 0.237 383 S C 1.562 176.134 174.600 -0.046 0.000 1.023 383 S CA 1.003 59.177 58.200 -0.043 0.000 0.991 383 S CB -0.043 63.148 63.200 -0.014 0.000 0.792 383 S HN 0.256 nan 8.310 nan 0.000 0.488 384 L N 0.815 122.007 121.223 -0.052 0.000 2.667 384 L HA 0.172 4.512 4.340 -0.000 0.000 0.232 384 L C 1.826 178.646 176.870 -0.084 0.000 1.138 384 L CA -0.114 54.706 54.840 -0.034 0.000 0.921 384 L CB -0.171 41.910 42.059 0.036 0.000 1.180 384 L HN 0.092 nan 8.230 nan 0.000 0.487 385 Q N 0.790 120.483 119.800 -0.179 0.000 2.197 385 Q HA -0.245 4.095 4.340 -0.000 0.000 0.211 385 Q C 1.110 177.050 176.000 -0.101 0.000 0.993 385 Q CA 1.822 57.502 55.803 -0.204 0.000 0.883 385 Q CB -0.077 28.533 28.738 -0.213 0.000 0.916 385 Q HN 0.543 nan 8.270 nan 0.000 0.418 386 D N -0.875 119.483 120.400 -0.070 0.000 2.323 386 D HA 0.093 4.733 4.640 -0.000 0.000 0.218 386 D C 2.042 178.327 176.300 -0.026 0.000 0.973 386 D CA 0.118 54.092 54.000 -0.044 0.000 0.890 386 D CB -0.107 40.668 40.800 -0.042 0.000 1.011 386 D HN 0.182 nan 8.370 nan 0.000 0.499 387 I N 1.259 121.817 120.570 -0.020 0.000 2.208 387 I HA -0.229 3.941 4.170 -0.000 0.000 0.245 387 I C 1.989 178.107 176.117 0.002 0.000 1.097 387 I CA 0.664 61.961 61.300 -0.006 0.000 1.363 387 I CB -0.151 37.848 38.000 -0.001 0.000 1.051 387 I HN -0.011 nan 8.210 nan 0.000 0.413 388 I N 1.209 121.783 120.570 0.007 0.000 2.142 388 I HA -0.265 3.905 4.170 -0.000 0.000 0.240 388 I C 2.891 179.015 176.117 0.012 0.000 1.078 388 I CA 1.801 63.114 61.300 0.022 0.000 1.343 388 I CB -1.780 36.250 38.000 0.050 0.000 1.046 388 I HN 0.185 nan 8.210 nan 0.000 0.405 389 A N 0.986 123.805 122.820 -0.003 0.000 1.978 389 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 389 A C 2.287 179.870 177.584 -0.003 0.000 1.170 389 A CA 1.374 53.408 52.037 -0.005 0.000 0.636 389 A CB -0.478 18.512 19.000 -0.017 0.000 0.810 389 A HN 0.348 nan 8.150 nan 0.000 0.448 390 I N -1.215 119.353 120.570 -0.003 0.000 2.260 390 I HA -0.066 4.104 4.170 -0.000 0.000 0.237 390 I C 2.239 178.357 176.117 0.001 0.000 1.075 390 I CA 1.121 62.419 61.300 -0.002 0.000 1.376 390 I CB -0.988 37.010 38.000 -0.004 0.000 1.107 390 I HN 0.258 nan 8.210 nan 0.000 0.420 391 L N -0.240 120.985 121.223 0.004 0.000 2.408 391 L HA 0.332 4.672 4.340 -0.000 0.000 0.215 391 L C 1.120 177.996 176.870 0.009 0.000 1.081 391 L CA 0.432 55.275 54.840 0.006 0.000 0.840 391 L CB -0.184 41.879 42.059 0.005 0.000 1.002 391 L HN 0.471 nan 8.230 nan 0.000 0.468 392 G N -0.113 108.695 108.800 0.013 0.000 2.728 392 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.294 392 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.294 392 G C 0.232 175.145 174.900 0.022 0.000 1.342 392 G CA -0.175 44.936 45.100 0.018 0.000 0.866 392 G HN -0.090 nan 8.290 nan 0.000 0.534 393 M N 0.084 119.697 119.600 0.023 0.000 2.557 393 M HA 0.033 4.513 4.480 -0.000 0.000 0.259 393 M C 1.557 177.867 176.300 0.015 0.000 1.086 393 M CA 1.214 56.528 55.300 0.023 0.000 1.096 393 M CB -0.665 31.946 32.600 0.019 0.000 1.424 393 M HN 0.524 nan 8.290 nan 0.000 0.488 394 D N 0.869 121.276 120.400 0.012 0.000 2.348 394 D HA -0.073 4.567 4.640 -0.000 0.000 0.216 394 D C 1.487 177.792 176.300 0.008 0.000 0.970 394 D CA 0.799 54.804 54.000 0.008 0.000 0.889 394 D CB 0.237 41.041 40.800 0.006 0.000 0.912 394 D HN 0.391 nan 8.370 nan 0.000 0.524 395 E N -0.098 120.108 120.200 0.010 0.000 2.476 395 E HA 0.112 4.462 4.350 -0.000 0.000 0.199 395 E C 0.923 177.529 176.600 0.010 0.000 1.021 395 E CA -0.134 56.271 56.400 0.008 0.000 0.907 395 E CB 0.981 30.685 29.700 0.007 0.000 0.974 395 E HN 0.306 nan 8.360 nan 0.000 0.489 396 L N 1.989 123.220 121.223 0.013 0.000 2.464 396 L HA 0.075 4.415 4.340 -0.000 0.000 0.264 396 L C 1.128 178.004 176.870 0.010 0.000 1.199 396 L CA -0.252 54.596 54.840 0.014 0.000 0.818 396 L CB 0.431 42.502 42.059 0.020 0.000 1.102 396 L HN -0.005 nan 8.230 nan 0.000 0.473 397 S N 0.148 115.854 115.700 0.010 0.000 2.645 397 S HA 0.154 4.624 4.470 -0.000 0.000 0.266 397 S C 0.813 175.416 174.600 0.006 0.000 1.258 397 S CA -0.747 57.457 58.200 0.007 0.000 0.990 397 S CB 1.419 64.623 63.200 0.007 0.000 0.967 397 S HN 0.561 nan 8.310 nan 0.000 0.556 398 E N 0.879 121.082 120.200 0.004 0.000 2.058 398 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 398 E C 2.151 178.753 176.600 0.002 0.000 0.997 398 E CA 1.493 57.895 56.400 0.003 0.000 0.801 398 E CB -0.660 29.041 29.700 0.002 0.000 0.746 398 E HN 0.746 nan 8.360 nan 0.000 0.450 399 Q N 0.329 120.132 119.800 0.004 0.000 2.062 399 Q HA -0.207 4.133 4.340 -0.000 0.000 0.209 399 Q C 1.863 177.866 176.000 0.006 0.000 0.996 399 Q CA 1.666 57.472 55.803 0.005 0.000 0.859 399 Q CB -0.106 28.636 28.738 0.007 0.000 0.920 399 Q HN 0.293 nan 8.270 nan 0.000 0.415 400 D N -0.023 120.382 120.400 0.009 0.000 2.103 400 D HA -0.089 4.550 4.640 -0.000 0.000 0.199 400 D C 1.751 178.058 176.300 0.012 0.000 0.978 400 D CA 0.792 54.801 54.000 0.015 0.000 0.829 400 D CB -0.074 40.739 40.800 0.021 0.000 0.981 400 D HN 0.113 nan 8.370 nan 0.000 0.464 401 K N 0.369 120.774 120.400 0.007 0.000 2.059 401 K HA -0.213 4.107 4.320 -0.000 0.000 0.212 401 K C 2.141 178.731 176.600 -0.017 0.000 1.050 401 K CA 0.988 57.274 56.287 -0.001 0.000 0.927 401 K CB -0.243 32.257 32.500 -0.001 0.000 0.714 401 K HN -0.014 nan 8.250 nan 0.000 0.447 402 L N 0.976 122.190 121.223 -0.015 0.000 2.012 402 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 402 L C 2.022 178.871 176.870 -0.035 0.000 1.073 402 L CA 2.059 56.885 54.840 -0.023 0.000 0.748 402 L CB -0.969 41.082 42.059 -0.013 0.000 0.891 402 L HN 0.187 nan 8.230 nan 0.000 0.431 403 T N -1.100 113.441 114.554 -0.021 0.000 2.833 403 T HA -0.144 4.206 4.350 -0.000 0.000 0.269 403 T C 1.962 176.628 174.700 -0.057 0.000 1.054 403 T CA 1.494 63.581 62.100 -0.022 0.000 1.135 403 T CB -0.307 68.564 68.868 0.006 0.000 0.869 403 T HN 0.220 nan 8.240 nan 0.000 0.466 404 V N 1.239 121.116 119.914 -0.061 0.000 2.270 404 V HA -0.149 3.971 4.120 -0.000 0.000 0.245 404 V C 2.477 178.415 176.094 -0.260 0.000 1.043 404 V CA 1.616 63.819 62.300 -0.162 0.000 1.014 404 V CB -0.590 31.206 31.823 -0.045 0.000 0.645 404 V HN 0.484 nan 8.190 nan 0.000 0.447 405 E N -0.163 119.946 120.200 -0.151 0.000 2.070 405 E HA -0.303 4.047 4.350 -0.000 0.000 0.197 405 E C 2.437 178.931 176.600 -0.176 0.000 1.004 405 E CA 1.780 58.094 56.400 -0.143 0.000 0.805 405 E CB -0.189 29.464 29.700 -0.079 0.000 0.744 405 E HN 0.402 nan 8.360 nan 0.000 0.451 406 R N 0.243 120.657 120.500 -0.144 0.000 2.070 406 R HA -0.148 4.192 4.340 -0.000 0.000 0.233 406 R C 2.268 178.457 176.300 -0.186 0.000 1.137 406 R CA 1.428 57.442 56.100 -0.143 0.000 0.945 406 R CB -0.265 29.992 30.300 -0.072 0.000 0.845 406 R HN 0.154 nan 8.270 nan 0.000 0.430 407 A N 0.732 123.430 122.820 -0.204 0.000 1.978 407 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 407 A C 2.115 179.521 177.584 -0.297 0.000 1.170 407 A CA 1.548 53.452 52.037 -0.221 0.000 0.636 407 A CB -0.426 18.426 19.000 -0.246 0.000 0.810 407 A HN 0.354 nan 8.150 nan 0.000 0.448 408 R N -0.488 119.759 120.500 -0.422 0.000 2.115 408 R HA -0.050 4.290 4.340 -0.000 0.000 0.226 408 R C 2.145 178.319 176.300 -0.210 0.000 1.100 408 R CA 1.444 57.356 56.100 -0.313 0.000 0.980 408 R CB -0.193 29.928 30.300 -0.298 0.000 0.875 408 R HN 0.518 nan 8.270 nan 0.000 0.445 409 K N 0.714 120.921 120.400 -0.322 0.000 1.985 409 K HA -0.095 4.225 4.320 -0.000 0.000 0.210 409 K C 2.041 178.415 176.600 -0.377 0.000 1.047 409 K CA 1.439 57.366 56.287 -0.601 0.000 0.932 409 K CB -0.214 31.665 32.500 -1.034 0.000 0.716 409 K HN 0.072 nan 8.250 nan 0.000 0.439 410 I N 1.402 121.879 120.570 -0.154 0.000 2.185 410 I HA -0.387 3.783 4.170 -0.000 0.000 0.246 410 I C 2.821 179.083 176.117 0.243 0.000 1.088 410 I CA 1.454 62.874 61.300 0.199 0.000 1.347 410 I CB -0.366 37.755 38.000 0.202 0.000 1.041 410 I HN 0.333 nan 8.210 nan 0.000 0.415 411 Q N 0.776 120.639 119.800 0.105 0.000 2.061 411 Q HA -0.252 4.088 4.340 -0.000 0.000 0.204 411 Q C 2.394 178.496 176.000 0.169 0.000 0.984 411 Q CA 1.819 57.697 55.803 0.125 0.000 0.846 411 Q CB 0.033 28.828 28.738 0.096 0.000 0.902 411 Q HN 0.398 nan 8.270 nan 0.000 0.421 412 R N -0.851 119.747 120.500 0.164 0.000 2.115 412 R HA -0.074 4.266 4.340 -0.000 0.000 0.226 412 R C 2.056 178.555 176.300 0.331 0.000 1.100 412 R CA 0.867 57.117 56.100 0.251 0.000 0.980 412 R CB -0.179 30.262 30.300 0.236 0.000 0.875 412 R HN 0.231 nan 8.270 nan 0.000 0.445 413 F N 1.005 121.041 119.950 0.143 0.000 2.216 413 F HA -0.052 4.475 4.527 -0.000 0.000 0.300 413 F C 1.394 177.350 175.800 0.260 0.000 1.085 413 F CA 1.143 59.239 58.000 0.160 0.000 1.326 413 F CB -0.170 38.830 39.000 0.000 0.000 1.027 413 F HN -0.041 nan 8.300 nan 0.000 0.497 414 L N -0.157 121.310 121.223 0.407 0.000 2.610 414 L HA -0.019 4.321 4.340 -0.000 0.000 0.232 414 L C 1.171 178.120 176.870 0.132 0.000 1.149 414 L CA 0.141 55.125 54.840 0.240 0.000 0.872 414 L CB -0.798 41.347 42.059 0.144 0.000 0.992 414 L HN 0.037 nan 8.230 nan 0.000 0.447 415 S N -0.696 115.077 115.700 0.123 0.000 2.652 415 S HA 0.478 4.948 4.470 -0.000 0.000 0.270 415 S C -0.381 174.205 174.600 -0.023 0.000 1.243 415 S CA -0.609 57.594 58.200 0.005 0.000 0.999 415 S CB 2.081 65.239 63.200 -0.070 0.000 0.973 415 S HN 0.224 nan 8.310 nan 0.000 0.544 416 Q N 0.306 120.040 119.800 -0.110 0.000 2.327 416 Q HA 0.437 4.777 4.340 -0.000 0.000 0.265 416 Q C -3.142 172.809 176.000 -0.081 0.000 0.993 416 Q CA -1.893 53.886 55.803 -0.040 0.000 0.885 416 Q CB 2.250 31.063 28.738 0.124 0.000 1.379 416 Q HN 0.441 nan 8.270 nan 0.000 0.408 417 P HA 0.227 nan 4.420 nan 0.000 0.276 417 P C -1.286 176.215 177.300 0.334 0.000 1.235 417 P CA 0.006 63.160 63.100 0.090 0.000 0.772 417 P CB 0.306 32.037 31.700 0.052 0.000 0.871 418 F N 1.400 121.344 119.950 -0.010 0.000 2.493 418 F HA 0.453 4.980 4.527 -0.000 0.000 0.329 418 F C 1.399 177.187 175.800 -0.019 0.000 1.126 418 F CA -1.533 56.454 58.000 -0.021 0.000 0.937 418 F CB 1.209 40.199 39.000 -0.016 0.000 1.146 418 F HN 0.354 nan 8.300 nan 0.000 0.442 419 A N 3.160 126.008 122.820 0.047 0.000 1.986 419 A HA -0.128 4.192 4.320 -0.000 0.000 0.220 419 A C 1.993 179.584 177.584 0.013 0.000 1.171 419 A CA 2.346 54.383 52.037 0.001 0.000 0.640 419 A CB -0.715 18.249 19.000 -0.059 0.000 0.811 419 A HN 0.544 nan 8.150 nan 0.000 0.451 420 V N -0.764 119.168 119.914 0.030 0.000 2.323 420 V HA -0.120 4.000 4.120 -0.000 0.000 0.244 420 V C 2.801 178.952 176.094 0.095 0.000 1.041 420 V CA 1.739 64.068 62.300 0.049 0.000 1.025 420 V CB -0.946 30.912 31.823 0.058 0.000 0.656 420 V HN 0.584 nan 8.190 nan 0.000 0.451 421 A N -0.798 122.127 122.820 0.175 0.000 2.238 421 A HA -0.069 4.251 4.320 -0.000 0.000 0.208 421 A C 2.028 179.682 177.584 0.116 0.000 1.177 421 A CA 0.897 53.061 52.037 0.212 0.000 0.804 421 A CB -0.525 18.598 19.000 0.205 0.000 0.823 421 A HN 0.609 nan 8.150 nan 0.000 0.482 422 E N 0.116 120.350 120.200 0.057 0.000 2.164 422 E HA -0.248 4.102 4.350 -0.000 0.000 0.206 422 E C 1.715 178.287 176.600 -0.047 0.000 1.032 422 E CA 2.084 58.491 56.400 0.012 0.000 0.832 422 E CB -0.253 29.442 29.700 -0.008 0.000 0.742 422 E HN 0.437 nan 8.360 nan 0.000 0.460 423 V N -0.005 119.815 119.914 -0.157 0.000 2.332 423 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 423 V C 2.009 177.911 176.094 -0.320 0.000 1.055 423 V CA 1.995 64.106 62.300 -0.316 0.000 1.038 423 V CB -0.697 30.798 31.823 -0.546 0.000 0.651 423 V HN 0.252 nan 8.190 nan 0.000 0.450 424 F N 1.149 121.089 119.950 -0.016 0.000 2.335 424 F HA -0.046 4.481 4.527 -0.000 0.000 0.296 424 F C 2.741 178.536 175.800 -0.008 0.000 1.091 424 F CA 1.369 59.353 58.000 -0.025 0.000 1.399 424 F CB -1.298 37.654 39.000 -0.080 0.000 1.067 424 F HN 0.267 nan 8.300 nan 0.000 0.520 425 T N -3.196 111.449 114.554 0.151 0.000 2.942 425 T HA 0.248 4.598 4.350 -0.000 0.000 0.265 425 T C 2.058 176.811 174.700 0.087 0.000 1.062 425 T CA 0.961 63.125 62.100 0.108 0.000 1.139 425 T CB -0.505 68.403 68.868 0.066 0.000 0.883 425 T HN 0.454 nan 8.240 nan 0.000 0.468 426 G N 1.376 110.207 108.800 0.051 0.000 2.179 426 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.260 426 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.260 426 G C 0.040 174.959 174.900 0.031 0.000 0.977 426 G CA 0.260 45.381 45.100 0.035 0.000 0.641 426 G HN 0.687 nan 8.290 nan 0.000 0.533 427 I N 1.347 121.938 120.570 0.035 0.000 2.474 427 I HA 0.358 4.528 4.170 -0.000 0.000 0.294 427 I C -2.170 173.961 176.117 0.024 0.000 1.005 427 I CA -2.664 58.653 61.300 0.029 0.000 1.113 427 I CB 2.044 40.062 38.000 0.030 0.000 1.289 427 I HN -0.218 nan 8.210 nan 0.000 0.436 428 P HA -0.038 nan 4.420 nan 0.000 0.261 428 P C 0.206 177.520 177.300 0.023 0.000 1.173 428 P CA 0.108 63.216 63.100 0.012 0.000 0.760 428 P CB 0.264 31.967 31.700 0.006 0.000 0.783 429 G N 3.577 112.393 108.800 0.027 0.000 2.484 429 G HA2 0.148 4.108 3.960 -0.000 0.000 0.235 429 G HA3 0.148 4.108 3.960 -0.000 0.000 0.235 429 G C -0.303 174.616 174.900 0.031 0.000 1.282 429 G CA -0.309 44.819 45.100 0.046 0.000 0.857 429 G HN 0.318 nan 8.290 nan 0.000 0.571 430 K N 0.691 121.123 120.400 0.053 0.000 2.316 430 K HA 0.471 4.791 4.320 -0.000 0.000 0.251 430 K C -1.114 175.499 176.600 0.022 0.000 0.934 430 K CA -0.733 55.574 56.287 0.034 0.000 0.802 430 K CB 2.812 35.338 32.500 0.044 0.000 1.171 430 K HN 0.380 nan 8.250 nan 0.000 0.426 431 L N 2.141 123.361 121.223 -0.005 0.000 2.356 431 L HA 0.445 4.785 4.340 -0.000 0.000 0.277 431 L C -1.326 175.537 176.870 -0.012 0.000 0.996 431 L CA -0.875 53.949 54.840 -0.027 0.000 0.822 431 L CB 1.723 43.751 42.059 -0.052 0.000 1.256 431 L HN 0.241 nan 8.230 nan 0.000 0.413 432 V N 5.096 125.005 119.914 -0.008 0.000 2.378 432 V HA 0.473 4.593 4.120 -0.000 0.000 0.288 432 V C 0.043 176.129 176.094 -0.012 0.000 1.016 432 V CA -0.708 61.588 62.300 -0.006 0.000 0.840 432 V CB 1.396 33.217 31.823 -0.004 0.000 0.994 432 V HN 0.736 nan 8.190 nan 0.000 0.431 433 R N 2.942 123.437 120.500 -0.010 0.000 2.543 433 R HA 0.243 4.583 4.340 -0.000 0.000 0.277 433 R C 1.381 177.676 176.300 -0.008 0.000 1.074 433 R CA -0.409 55.686 56.100 -0.007 0.000 1.076 433 R CB 0.958 31.256 30.300 -0.002 0.000 0.993 433 R HN 0.729 nan 8.270 nan 0.000 0.459 434 L N 3.584 124.804 121.223 -0.004 0.000 1.997 434 L HA -0.358 3.982 4.340 -0.000 0.000 0.227 434 L C 2.058 178.910 176.870 -0.029 0.000 1.087 434 L CA 1.989 56.821 54.840 -0.013 0.000 0.797 434 L CB -0.185 41.891 42.059 0.028 0.000 0.902 434 L HN 0.612 nan 8.230 nan 0.000 0.441 435 K N -0.692 119.706 120.400 -0.004 0.000 2.089 435 K HA -0.280 4.040 4.320 -0.000 0.000 0.210 435 K C 1.897 178.496 176.600 -0.003 0.000 1.048 435 K CA 1.871 58.158 56.287 -0.001 0.000 0.926 435 K CB -0.438 32.071 32.500 0.015 0.000 0.714 435 K HN 0.537 nan 8.250 nan 0.000 0.448 436 D N 0.165 120.564 120.400 -0.001 0.000 2.084 436 D HA -0.118 4.522 4.640 -0.000 0.000 0.194 436 D C 1.603 177.905 176.300 0.004 0.000 0.990 436 D CA 1.622 55.625 54.000 0.004 0.000 0.826 436 D CB -0.130 40.670 40.800 0.000 0.000 0.971 436 D HN 0.112 nan 8.370 nan 0.000 0.453 437 T N 0.185 114.734 114.554 -0.009 0.000 2.652 437 T HA -0.135 4.215 4.350 -0.000 0.000 0.267 437 T C 2.219 176.966 174.700 0.079 0.000 1.039 437 T CA 1.619 63.733 62.100 0.023 0.000 1.153 437 T CB -0.632 68.228 68.868 -0.013 0.000 0.863 437 T HN -0.005 nan 8.240 nan 0.000 0.428 438 V N 1.882 121.767 119.914 -0.048 0.000 2.287 438 V HA -0.201 3.919 4.120 -0.000 0.000 0.248 438 V C 2.956 179.082 176.094 0.053 0.000 1.053 438 V CA 1.782 64.040 62.300 -0.071 0.000 1.027 438 V CB -1.321 30.385 31.823 -0.194 0.000 0.646 438 V HN 0.577 nan 8.190 nan 0.000 0.447 439 A N -0.549 122.300 122.820 0.048 0.000 1.933 439 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 439 A C 2.475 180.125 177.584 0.110 0.000 1.175 439 A CA 2.206 54.288 52.037 0.074 0.000 0.628 439 A CB -0.672 18.362 19.000 0.056 0.000 0.814 439 A HN 0.512 nan 8.150 nan 0.000 0.444 440 S N -0.632 115.125 115.700 0.096 0.000 2.354 440 S HA -0.132 4.338 4.470 -0.000 0.000 0.219 440 S C 1.627 176.312 174.600 0.141 0.000 1.035 440 S CA 1.678 59.933 58.200 0.093 0.000 1.037 440 S CB -0.622 62.578 63.200 -0.001 0.000 0.956 440 S HN 0.550 nan 8.310 nan 0.000 0.428 441 F N 1.849 121.879 119.950 0.134 0.000 2.216 441 F HA -0.059 4.468 4.527 -0.000 0.000 0.300 441 F C 2.347 178.222 175.800 0.124 0.000 1.085 441 F CA 1.206 59.293 58.000 0.146 0.000 1.326 441 F CB -0.262 38.749 39.000 0.018 0.000 1.027 441 F HN 0.129 nan 8.300 nan 0.000 0.497 442 K N 0.626 121.178 120.400 0.254 0.000 2.026 442 K HA -0.185 4.135 4.320 -0.000 0.000 0.208 442 K C 2.265 178.968 176.600 0.171 0.000 1.048 442 K CA 1.329 57.720 56.287 0.173 0.000 0.929 442 K CB -0.318 32.256 32.500 0.123 0.000 0.713 442 K HN 0.195 nan 8.250 nan 0.000 0.439 443 A N 0.539 123.479 122.820 0.200 0.000 1.930 443 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 443 A C 2.215 179.971 177.584 0.287 0.000 1.175 443 A CA 1.516 53.696 52.037 0.238 0.000 0.627 443 A CB -0.529 18.678 19.000 0.345 0.000 0.815 443 A HN 0.184 nan 8.150 nan 0.000 0.443 444 V N 0.077 120.176 119.914 0.309 0.000 2.343 444 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 444 V C 2.522 178.725 176.094 0.182 0.000 1.051 444 V CA 1.873 64.345 62.300 0.287 0.000 1.036 444 V CB -0.729 31.228 31.823 0.223 0.000 0.654 444 V HN 0.570 nan 8.190 nan 0.000 0.451 445 L N -0.328 120.998 121.223 0.171 0.000 2.131 445 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 445 L C 2.281 179.201 176.870 0.083 0.000 1.092 445 L CA 1.404 56.313 54.840 0.116 0.000 0.759 445 L CB -0.521 41.607 42.059 0.114 0.000 0.903 445 L HN 0.369 nan 8.230 nan 0.000 0.435 446 E N 0.040 120.294 120.200 0.090 0.000 2.516 446 E HA -0.024 4.326 4.350 -0.000 0.000 0.199 446 E C 1.272 177.887 176.600 0.026 0.000 1.069 446 E CA 0.456 56.888 56.400 0.053 0.000 0.876 446 E CB -0.066 29.665 29.700 0.051 0.000 0.843 446 E HN 0.521 nan 8.360 nan 0.000 0.530 447 G N 1.604 110.427 108.800 0.039 0.000 2.179 447 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.257 447 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.257 447 G C 0.766 175.643 174.900 -0.039 0.000 1.010 447 G CA 0.705 45.812 45.100 0.013 0.000 0.736 447 G HN 0.276 nan 8.290 nan 0.000 0.513 448 K N -1.325 119.022 120.400 -0.089 0.000 2.418 448 K HA 0.233 4.553 4.320 -0.000 0.000 0.195 448 K C 0.693 176.914 176.600 -0.633 0.000 1.035 448 K CA 0.737 56.797 56.287 -0.377 0.000 1.003 448 K CB 0.087 32.278 32.500 -0.514 0.000 0.793 448 K HN 0.562 nan 8.250 nan 0.000 0.494 449 Y N -0.595 119.736 120.300 0.051 0.000 2.738 449 Y HA 0.138 4.688 4.550 -0.000 0.000 0.249 449 Y C 0.355 176.316 175.900 0.103 0.000 1.153 449 Y CA -0.750 57.399 58.100 0.082 0.000 1.165 449 Y CB 0.578 39.120 38.460 0.138 0.000 1.235 449 Y HN -0.024 nan 8.280 nan 0.000 0.559 450 D N 0.730 121.201 120.400 0.117 0.000 2.350 450 D HA -0.112 4.528 4.640 -0.000 0.000 0.216 450 D C 1.016 177.359 176.300 0.071 0.000 0.968 450 D CA 0.961 55.004 54.000 0.072 0.000 0.894 450 D CB 0.002 40.815 40.800 0.022 0.000 0.909 450 D HN 0.493 nan 8.370 nan 0.000 0.520 451 N N 0.588 119.334 118.700 0.076 0.000 2.295 451 N HA 0.023 4.763 4.740 -0.000 0.000 0.221 451 N C -0.073 175.488 175.510 0.084 0.000 1.129 451 N CA -0.097 52.988 53.050 0.059 0.000 0.836 451 N CB 0.151 38.653 38.487 0.026 0.000 1.040 451 N HN 0.120 nan 8.380 nan 0.000 0.494 452 I N 0.916 121.573 120.570 0.145 0.000 2.433 452 I HA 0.353 4.523 4.170 -0.000 0.000 0.292 452 I C -2.237 173.992 176.117 0.185 0.000 1.001 452 I CA -2.508 58.875 61.300 0.139 0.000 1.119 452 I CB 2.043 40.108 38.000 0.108 0.000 1.289 452 I HN -0.223 nan 8.210 nan 0.000 0.438 453 P HA -0.004 nan 4.420 nan 0.000 0.265 453 P C 0.406 177.840 177.300 0.223 0.000 1.187 453 P CA 0.076 63.253 63.100 0.127 0.000 0.766 453 P CB 0.522 32.277 31.700 0.092 0.000 0.820 454 E N 1.631 121.941 120.200 0.183 0.000 2.049 454 E HA -0.321 4.029 4.350 -0.000 0.000 0.198 454 E C 1.684 178.445 176.600 0.268 0.000 1.007 454 E CA 1.269 57.788 56.400 0.197 0.000 0.809 454 E CB -0.574 29.165 29.700 0.065 0.000 0.749 454 E HN 0.640 nan 8.360 nan 0.000 0.450 455 H N 0.795 119.931 119.070 0.110 0.000 2.492 455 H HA -0.073 4.483 4.556 -0.000 0.000 0.296 455 H C 1.880 177.284 175.328 0.127 0.000 1.095 455 H CA 1.351 57.455 56.048 0.094 0.000 1.281 455 H CB 0.082 29.858 29.762 0.023 0.000 1.374 455 H HN 0.182 nan 8.280 nan 0.000 0.545 456 A N 0.173 123.062 122.820 0.115 0.000 1.972 456 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 456 A C 2.003 179.443 177.584 -0.241 0.000 1.169 456 A CA 1.022 53.009 52.037 -0.084 0.000 0.635 456 A CB -1.030 17.843 19.000 -0.212 0.000 0.810 456 A HN 0.372 nan 8.150 nan 0.000 0.446 457 F N -2.341 117.506 119.950 -0.171 0.000 2.780 457 F HA 0.115 4.642 4.527 -0.000 0.000 0.299 457 F C 0.767 176.528 175.800 -0.065 0.000 1.146 457 F CA 0.083 57.925 58.000 -0.264 0.000 1.428 457 F CB -0.188 38.625 39.000 -0.311 0.000 1.115 457 F HN 0.314 nan 8.300 nan 0.000 0.583 458 Y N 1.167 121.433 120.300 -0.056 0.000 2.365 458 Y HA 0.350 4.900 4.550 -0.000 0.000 0.340 458 Y C 0.629 176.495 175.900 -0.057 0.000 1.016 458 Y CA -1.789 56.262 58.100 -0.082 0.000 1.196 458 Y CB 0.463 38.747 38.460 -0.294 0.000 1.167 458 Y HN 0.152 nan 8.280 nan 0.000 0.509 459 M N 5.275 124.588 119.600 -0.478 0.000 2.450 459 M HA -0.152 4.328 4.480 -0.000 0.000 0.192 459 M C -1.747 174.468 176.300 -0.141 0.000 0.753 459 M CA 1.190 56.228 55.300 -0.436 0.000 0.532 459 M CB -1.363 30.800 32.600 -0.729 0.000 1.263 459 M HN 0.500 nan 8.290 nan 0.000 0.885 460 V N -2.316 117.584 119.914 -0.025 0.000 3.119 460 V HA 1.106 5.226 4.120 -0.000 0.000 0.311 460 V C 0.880 177.023 176.094 0.081 0.000 1.259 460 V CA -0.302 62.013 62.300 0.025 0.000 1.067 460 V CB 1.210 33.035 31.823 0.004 0.000 1.123 460 V HN 0.490 nan 8.190 nan 0.000 0.463 461 G N -0.226 108.615 108.800 0.069 0.000 3.152 461 G HA2 0.542 4.502 3.960 -0.000 0.000 0.157 461 G HA3 0.542 4.502 3.960 -0.000 0.000 0.157 461 G C 0.493 175.458 174.900 0.108 0.000 1.786 461 G CA -0.078 45.060 45.100 0.064 0.000 1.055 461 G HN 1.424 nan 8.290 nan 0.000 0.528 462 G N -1.293 107.548 108.800 0.069 0.000 2.563 462 G HA2 0.346 4.306 3.960 -0.000 0.000 0.283 462 G HA3 0.346 4.306 3.960 -0.000 0.000 0.283 462 G C 1.020 176.025 174.900 0.175 0.000 1.309 462 G CA -0.018 45.141 45.100 0.100 0.000 1.022 462 G HN 0.436 nan 8.290 nan 0.000 0.501 463 I N -0.440 120.245 120.570 0.191 0.000 2.229 463 I HA -0.251 3.919 4.170 -0.000 0.000 0.250 463 I C 2.422 178.402 176.117 -0.228 0.000 1.096 463 I CA 2.074 63.309 61.300 -0.108 0.000 1.358 463 I CB -0.198 37.697 38.000 -0.174 0.000 1.047 463 I HN 0.797 nan 8.210 nan 0.000 0.422 464 E N -0.148 119.990 120.200 -0.103 0.000 2.085 464 E HA -0.271 4.079 4.350 -0.000 0.000 0.194 464 E C 1.709 178.241 176.600 -0.113 0.000 0.994 464 E CA 1.632 57.977 56.400 -0.093 0.000 0.801 464 E CB -0.098 29.578 29.700 -0.039 0.000 0.743 464 E HN 0.536 nan 8.360 nan 0.000 0.453 465 D N -0.301 120.043 120.400 -0.092 0.000 2.219 465 D HA -0.116 4.524 4.640 -0.000 0.000 0.205 465 D C 1.939 178.131 176.300 -0.179 0.000 0.970 465 D CA 0.477 54.420 54.000 -0.094 0.000 0.851 465 D CB -0.004 40.772 40.800 -0.040 0.000 0.943 465 D HN 0.057 nan 8.370 nan 0.000 0.488 466 V N 0.394 120.118 119.914 -0.316 0.000 2.255 466 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 466 V C 2.603 178.449 176.094 -0.413 0.000 1.051 466 V CA 1.228 63.199 62.300 -0.549 0.000 1.018 466 V CB -0.597 30.605 31.823 -1.036 0.000 0.641 466 V HN 0.082 nan 8.190 nan 0.000 0.445 467 V N 0.410 120.123 119.914 -0.335 0.000 2.392 467 V HA -0.267 3.853 4.120 -0.000 0.000 0.249 467 V C 2.661 178.678 176.094 -0.128 0.000 1.059 467 V CA 1.965 64.148 62.300 -0.195 0.000 1.051 467 V CB -1.302 30.451 31.823 -0.116 0.000 0.658 467 V HN 0.561 nan 8.190 nan 0.000 0.455 468 A N -0.146 122.601 122.820 -0.121 0.000 1.898 468 A HA -0.234 4.086 4.320 -0.000 0.000 0.216 468 A C 2.360 179.902 177.584 -0.071 0.000 1.181 468 A CA 2.090 54.081 52.037 -0.077 0.000 0.620 468 A CB -0.423 18.539 19.000 -0.062 0.000 0.819 468 A HN 0.513 nan 8.150 nan 0.000 0.442 469 K N -0.444 119.897 120.400 -0.098 0.000 2.103 469 K HA 0.013 4.333 4.320 -0.000 0.000 0.204 469 K C 2.155 178.721 176.600 -0.057 0.000 1.052 469 K CA 1.022 57.269 56.287 -0.066 0.000 0.945 469 K CB -0.294 32.157 32.500 -0.083 0.000 0.722 469 K HN 0.354 nan 8.250 nan 0.000 0.443 470 A N 1.440 124.196 122.820 -0.107 0.000 1.883 470 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 470 A C 1.802 179.362 177.584 -0.040 0.000 1.186 470 A CA 1.796 53.785 52.037 -0.080 0.000 0.624 470 A CB -0.515 18.413 19.000 -0.121 0.000 0.822 470 A HN 0.456 nan 8.150 nan 0.000 0.444 471 E N -0.884 119.290 120.200 -0.042 0.000 2.204 471 E HA -0.184 4.166 4.350 -0.000 0.000 0.194 471 E C 1.929 178.519 176.600 -0.015 0.000 0.989 471 E CA 1.170 57.556 56.400 -0.024 0.000 0.824 471 E CB -0.045 29.640 29.700 -0.024 0.000 0.756 471 E HN 0.403 nan 8.360 nan 0.000 0.477 472 K N 0.798 121.189 120.400 -0.014 0.000 2.217 472 K HA -0.030 4.290 4.320 -0.000 0.000 0.202 472 K C 1.734 178.335 176.600 0.003 0.000 1.051 472 K CA 0.657 56.943 56.287 -0.003 0.000 0.952 472 K CB 0.015 32.517 32.500 0.003 0.000 0.736 472 K HN 0.072 nan 8.250 nan 0.000 0.453 473 L N -0.659 120.566 121.223 0.005 0.000 2.049 473 L HA -0.000 4.340 4.340 -0.000 0.000 0.203 473 L C 2.261 179.130 176.870 -0.002 0.000 1.074 473 L CA 1.138 55.981 54.840 0.005 0.000 0.749 473 L CB -0.682 41.387 42.059 0.017 0.000 0.907 473 L HN 0.093 nan 8.230 nan 0.000 0.439 474 A N 0.138 122.956 122.820 -0.004 0.000 2.139 474 A HA 0.049 4.369 4.320 -0.000 0.000 0.221 474 A C 1.353 178.934 177.584 -0.005 0.000 1.159 474 A CA 1.385 53.420 52.037 -0.004 0.000 0.662 474 A CB -0.645 18.352 19.000 -0.005 0.000 0.796 474 A HN 0.403 nan 8.150 nan 0.000 0.463 475 A N 0.000 122.817 122.820 -0.005 0.000 2.254 475 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 475 A CA 0.000 52.034 52.037 -0.005 0.000 0.836 475 A CB 0.000 18.997 19.000 -0.004 0.000 0.831 475 A HN 0.000 nan 8.150 nan 0.000 0.486