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 2afa_1_C DATA FIRST_RESID 3 DATA SEQUENCE LKWFNTLSHN RWLEQETDRI FNFGKNAVVP TGFGWLGNKG QIKEEXGTHL DATA SEQUENCE WITARXLHVY SVAASXGRPG AYDLVDHGIK AXNGALRDKK YGGWYACVND DATA SEQUENCE QGVVDASKQG YQHFFALLGA ASAVTTGHPE ARKLLDYTIE VIEKYFWSEE DATA SEQUENCE EQXCLESWDE AFSQTEDYRG GNANXHAVEA FLIVYDVTHD KKWLDRALRI DATA SEQUENCE ASVIIHDVAR NGDYRVNEHF DSQWNPIRDY NKDNPAHRFR AYGGTPGHWI DATA SEQUENCE EWGRLXLHLH AALEARFETP PAWLLEDAKG LFHATIRDAW APDGADGFVY DATA SEQUENCE SVXDWDGKPI VRERVRWPIV EAXGTAYALY TLTDDSQYEE WYQKWWDYCI DATA SEQUENCE KYLXDYENGS WWQELDADNK VTTXXXXGKQ DIYHLLHCLV IPRLPLAPGL DATA SEQUENCE APAVAAGLLD INA 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 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.700 176.870 -0.284 0.000 1.165 3 L CA 0.000 54.666 54.840 -0.289 0.000 0.813 3 L CB 0.000 41.973 42.059 -0.143 0.000 0.961 4 K N 0.709 121.059 120.400 -0.084 0.000 2.347 4 K HA 0.251 4.571 4.320 -0.000 0.000 0.262 4 K C -0.556 176.176 176.600 0.220 0.000 1.052 4 K CA -0.263 56.032 56.287 0.013 0.000 0.946 4 K CB 0.933 33.475 32.500 0.070 0.000 1.220 4 K HN 0.266 nan 8.250 nan 0.000 0.450 5 W N 0.991 122.146 121.300 -0.242 0.000 3.412 5 W HA 0.189 4.849 4.660 0.000 0.000 0.236 5 W C 0.369 176.843 176.519 -0.074 0.000 1.030 5 W CA -0.538 56.632 57.345 -0.292 0.000 1.850 5 W CB -0.597 28.455 29.460 -0.681 0.000 0.979 5 W HN 0.293 nan 8.180 nan 0.000 0.716 6 F N 2.777 122.802 119.950 0.125 0.000 2.635 6 F HA -0.077 4.450 4.527 -0.000 0.000 0.379 6 F C 1.278 177.186 175.800 0.178 0.000 1.094 6 F CA 0.548 58.603 58.000 0.091 0.000 1.300 6 F CB -0.928 37.952 39.000 -0.199 0.000 1.035 6 F HN 0.183 nan 8.300 nan 0.000 0.581 7 N N -1.212 117.752 118.700 0.440 0.000 2.714 7 N HA -0.193 4.547 4.740 -0.000 0.000 0.250 7 N C -0.624 175.030 175.510 0.241 0.000 1.117 7 N CA 0.715 53.949 53.050 0.307 0.000 0.719 7 N CB -1.217 37.450 38.487 0.300 0.000 1.081 7 N HN 0.725 nan 8.380 nan 0.000 0.557 8 T N -2.720 111.984 114.554 0.249 0.000 2.807 8 T HA 0.540 4.890 4.350 -0.000 0.000 0.279 8 T C 1.128 175.922 174.700 0.156 0.000 0.993 8 T CA -1.027 61.183 62.100 0.184 0.000 0.970 8 T CB 1.862 70.836 68.868 0.176 0.000 0.950 8 T HN 0.083 nan 8.240 nan 0.000 0.441 9 L N 2.270 123.558 121.223 0.109 0.000 2.083 9 L HA -0.128 4.212 4.340 -0.000 0.000 0.209 9 L C 3.085 179.991 176.870 0.061 0.000 1.083 9 L CA 1.700 56.587 54.840 0.078 0.000 0.752 9 L CB -0.701 41.394 42.059 0.059 0.000 0.899 9 L HN 0.932 nan 8.230 nan 0.000 0.433 10 S N -1.169 114.566 115.700 0.058 0.000 2.359 10 S HA -0.310 4.160 4.470 -0.000 0.000 0.224 10 S C 1.931 176.548 174.600 0.029 0.000 1.035 10 S CA 1.528 59.746 58.200 0.031 0.000 1.018 10 S CB -0.699 62.508 63.200 0.011 0.000 0.876 10 S HN 0.522 nan 8.310 nan 0.000 0.448 11 H N 2.669 121.693 119.070 -0.077 0.000 2.326 11 H HA 0.067 4.623 4.556 -0.000 0.000 0.301 11 H C 1.889 177.229 175.328 0.020 0.000 1.081 11 H CA 2.034 57.997 56.048 -0.142 0.000 1.334 11 H CB -0.722 28.953 29.762 -0.145 0.000 1.385 11 H HN 0.339 nan 8.280 nan 0.000 0.504 12 N N 0.314 118.997 118.700 -0.028 0.000 2.205 12 N HA -0.104 4.636 4.740 -0.000 0.000 0.186 12 N C 1.905 177.376 175.510 -0.065 0.000 1.015 12 N CA 0.973 53.986 53.050 -0.061 0.000 0.862 12 N CB -0.198 38.313 38.487 0.041 0.000 0.986 12 N HN 0.398 nan 8.380 nan 0.000 0.429 13 R N -1.089 119.393 120.500 -0.031 0.000 2.092 13 R HA -0.108 4.232 4.340 -0.000 0.000 0.231 13 R C 1.913 178.162 176.300 -0.086 0.000 1.119 13 R CA 1.005 57.080 56.100 -0.042 0.000 0.970 13 R CB -0.333 29.958 30.300 -0.015 0.000 0.864 13 R HN 0.348 nan 8.270 nan 0.000 0.440 14 W N 1.544 122.704 121.300 -0.233 0.000 2.355 14 W HA -0.158 4.502 4.660 -0.000 0.000 0.309 14 W C 1.650 177.995 176.519 -0.290 0.000 1.206 14 W CA 1.359 58.539 57.345 -0.274 0.000 1.284 14 W CB -0.288 28.943 29.460 -0.382 0.000 1.145 14 W HN -0.045 nan 8.180 nan 0.000 0.502 15 L N 0.170 121.315 121.223 -0.130 0.000 2.042 15 L HA -0.250 4.090 4.340 -0.000 0.000 0.210 15 L C 2.489 179.224 176.870 -0.226 0.000 1.076 15 L CA 2.061 56.812 54.840 -0.149 0.000 0.749 15 L CB -1.097 40.913 42.059 -0.083 0.000 0.893 15 L HN 0.101 nan 8.230 nan 0.000 0.432 16 E N 0.030 120.117 120.200 -0.187 0.000 2.077 16 E HA -0.264 4.086 4.350 -0.000 0.000 0.193 16 E C 2.215 178.682 176.600 -0.222 0.000 0.989 16 E CA 1.187 57.489 56.400 -0.163 0.000 0.800 16 E CB 0.062 29.709 29.700 -0.089 0.000 0.746 16 E HN 0.502 nan 8.360 nan 0.000 0.452 17 Q N -0.046 119.578 119.800 -0.293 0.000 2.124 17 Q HA -0.211 4.129 4.340 -0.000 0.000 0.202 17 Q C 1.984 177.774 176.000 -0.351 0.000 0.977 17 Q CA 1.574 57.195 55.803 -0.303 0.000 0.850 17 Q CB -0.007 28.521 28.738 -0.350 0.000 0.901 17 Q HN 0.161 nan 8.270 nan 0.000 0.429 18 E N -0.069 119.818 120.200 -0.522 0.000 2.152 18 E HA -0.107 4.243 4.350 -0.000 0.000 0.192 18 E C 1.635 178.070 176.600 -0.275 0.000 0.983 18 E CA 1.499 57.653 56.400 -0.410 0.000 0.818 18 E CB -0.092 29.281 29.700 -0.544 0.000 0.758 18 E HN 0.194 nan 8.360 nan 0.000 0.467 19 T N 1.010 115.363 114.554 -0.335 0.000 2.720 19 T HA -0.140 4.210 4.350 -0.000 0.000 0.268 19 T C 1.176 175.513 174.700 -0.605 0.000 1.037 19 T CA 1.456 63.240 62.100 -0.528 0.000 1.144 19 T CB -0.381 68.149 68.868 -0.563 0.000 0.864 19 T HN 0.212 nan 8.240 nan 0.000 0.444 20 D N 0.585 120.812 120.400 -0.288 0.000 2.144 20 D HA -0.053 4.587 4.640 -0.000 0.000 0.199 20 D C 2.273 178.580 176.300 0.013 0.000 0.984 20 D CA 0.776 54.756 54.000 -0.033 0.000 0.834 20 D CB -0.260 40.555 40.800 0.025 0.000 0.955 20 D HN 0.294 nan 8.370 nan 0.000 0.465 21 R N 0.330 120.801 120.500 -0.049 0.000 2.091 21 R HA -0.093 4.247 4.340 -0.000 0.000 0.238 21 R C 2.359 178.693 176.300 0.057 0.000 1.136 21 R CA 0.917 57.028 56.100 0.017 0.000 0.959 21 R CB -0.181 30.114 30.300 -0.008 0.000 0.856 21 R HN 0.158 nan 8.270 nan 0.000 0.437 22 I N -0.192 120.356 120.570 -0.036 0.000 2.406 22 I HA -0.197 3.973 4.170 -0.000 0.000 0.249 22 I C 1.594 177.801 176.117 0.150 0.000 1.122 22 I CA 0.594 61.888 61.300 -0.010 0.000 1.431 22 I CB -0.145 37.744 38.000 -0.185 0.000 1.087 22 I HN 0.090 nan 8.210 nan 0.000 0.424 23 F N 1.364 121.340 119.950 0.042 0.000 2.126 23 F HA -0.226 4.301 4.527 -0.000 0.000 0.299 23 F C 2.412 178.332 175.800 0.201 0.000 1.096 23 F CA 1.152 59.206 58.000 0.091 0.000 1.255 23 F CB -1.231 37.818 39.000 0.082 0.000 0.997 23 F HN 0.147 nan 8.300 nan 0.000 0.479 24 N N -0.250 118.659 118.700 0.349 0.000 2.084 24 N HA -0.216 4.524 4.740 -0.000 0.000 0.190 24 N C 1.946 177.587 175.510 0.219 0.000 1.030 24 N CA 1.111 54.302 53.050 0.234 0.000 0.849 24 N CB -1.012 37.578 38.487 0.170 0.000 1.012 24 N HN 0.232 nan 8.380 nan 0.000 0.423 25 F N 1.533 121.540 119.950 0.094 0.000 2.095 25 F HA -0.107 4.420 4.527 -0.000 0.000 0.298 25 F C 2.264 178.114 175.800 0.082 0.000 1.104 25 F CA 1.856 59.893 58.000 0.062 0.000 1.232 25 F CB -0.717 38.300 39.000 0.029 0.000 0.987 25 F HN 0.055 nan 8.300 nan 0.000 0.475 26 G N 0.456 109.422 108.800 0.277 0.000 2.470 26 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.220 26 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.220 26 G C 1.575 176.562 174.900 0.145 0.000 1.121 26 G CA 0.822 46.047 45.100 0.210 0.000 0.766 26 G HN 0.549 nan 8.290 nan 0.000 0.553 27 K N 0.399 120.863 120.400 0.106 0.000 2.281 27 K HA -0.073 4.247 4.320 -0.000 0.000 0.203 27 K C 1.584 178.132 176.600 -0.088 0.000 1.046 27 K CA 1.442 57.691 56.287 -0.063 0.000 0.938 27 K CB -0.323 32.127 32.500 -0.084 0.000 0.737 27 K HN 0.177 nan 8.250 nan 0.000 0.458 28 N N 1.074 119.707 118.700 -0.111 0.000 2.550 28 N HA 0.006 4.746 4.740 -0.000 0.000 0.186 28 N C 1.347 176.795 175.510 -0.103 0.000 1.110 28 N CA 0.804 53.772 53.050 -0.137 0.000 0.912 28 N CB 0.176 38.538 38.487 -0.207 0.000 0.968 28 N HN 0.410 nan 8.380 nan 0.000 0.448 29 A N -0.029 122.771 122.820 -0.033 0.000 2.167 29 A HA 0.080 4.400 4.320 -0.000 0.000 0.214 29 A C 0.558 178.136 177.584 -0.010 0.000 1.151 29 A CA -0.029 52.032 52.037 0.041 0.000 0.735 29 A CB -0.109 18.983 19.000 0.155 0.000 0.802 29 A HN 0.039 nan 8.150 nan 0.000 0.467 30 V N 1.752 121.578 119.914 -0.146 0.000 2.506 30 V HA 0.186 4.306 4.120 -0.000 0.000 0.296 30 V C 0.389 176.286 176.094 -0.328 0.000 1.004 30 V CA 0.667 62.673 62.300 -0.490 0.000 1.150 30 V CB -0.376 31.120 31.823 -0.544 0.000 0.911 30 V HN 0.475 nan 8.190 nan 0.000 0.476 31 V N 3.528 123.263 119.914 -0.299 0.000 3.040 31 V HA 0.573 4.693 4.120 -0.000 0.000 0.312 31 V C -2.029 174.059 176.094 -0.010 0.000 1.115 31 V CA -2.108 60.125 62.300 -0.111 0.000 0.998 31 V CB 1.797 33.587 31.823 -0.056 0.000 1.042 31 V HN 0.473 nan 8.190 nan 0.000 0.433 32 P HA -0.160 nan 4.420 nan 0.000 0.216 32 P C 1.412 178.679 177.300 -0.054 0.000 1.154 32 P CA 2.681 65.780 63.100 -0.003 0.000 0.865 32 P CB -0.038 31.648 31.700 -0.022 0.000 0.789 33 T N -5.748 108.780 114.554 -0.044 0.000 3.107 33 T HA 0.497 4.847 4.350 -0.000 0.000 0.249 33 T C 0.972 175.631 174.700 -0.069 0.000 1.096 33 T CA 0.407 62.474 62.100 -0.055 0.000 1.012 33 T CB 0.022 68.885 68.868 -0.010 0.000 0.977 33 T HN 0.284 nan 8.240 nan 0.000 0.527 34 G N 0.982 109.743 108.800 -0.065 0.000 2.272 34 G HA2 0.268 4.228 3.960 -0.000 0.000 0.068 34 G HA3 0.268 4.228 3.960 -0.000 0.000 0.068 34 G C -1.703 173.010 174.900 -0.311 0.000 1.073 34 G CA -0.953 44.097 45.100 -0.083 0.000 1.154 34 G HN 0.246 nan 8.290 nan 0.000 0.429 35 F N 2.328 122.300 119.950 0.037 0.000 2.477 35 F HA 0.658 5.185 4.527 -0.000 0.000 0.335 35 F C 1.068 176.841 175.800 -0.046 0.000 1.130 35 F CA 0.195 58.173 58.000 -0.037 0.000 0.948 35 F CB 2.004 40.956 39.000 -0.080 0.000 1.154 35 F HN 0.705 nan 8.300 nan 0.000 0.439 36 G N 1.426 110.290 108.800 0.106 0.000 2.553 36 G HA2 0.012 3.972 3.960 -0.000 0.000 0.278 36 G HA3 0.012 3.972 3.960 -0.000 0.000 0.278 36 G C -1.498 173.479 174.900 0.128 0.000 1.349 36 G CA -0.382 44.787 45.100 0.115 0.000 1.037 36 G HN 0.667 nan 8.290 nan 0.000 0.508 37 W N 1.020 122.302 121.300 -0.029 0.000 2.278 37 W HA 0.529 5.189 4.660 -0.000 0.000 0.317 37 W C -0.922 175.592 176.519 -0.010 0.000 1.030 37 W CA -0.985 56.330 57.345 -0.051 0.000 1.334 37 W CB 0.353 29.784 29.460 -0.049 0.000 1.215 37 W HN 0.173 nan 8.180 nan 0.000 0.405 38 L N 6.090 127.398 121.223 0.140 0.000 2.349 38 L HA 0.403 4.743 4.340 -0.000 0.000 0.275 38 L C 1.246 178.285 176.870 0.282 0.000 1.115 38 L CA -0.151 54.775 54.840 0.143 0.000 0.820 38 L CB 0.495 42.557 42.059 0.005 0.000 1.135 38 L HN 0.449 nan 8.230 nan 0.000 0.445 39 G N 1.312 110.259 108.800 0.245 0.000 2.531 39 G HA2 0.103 4.063 3.960 -0.000 0.000 0.281 39 G HA3 0.103 4.063 3.960 -0.000 0.000 0.281 39 G C 0.454 175.528 174.900 0.290 0.000 1.382 39 G CA -0.515 44.750 45.100 0.275 0.000 1.045 39 G HN 0.801 nan 8.290 nan 0.000 0.533 40 N N -0.851 118.005 118.700 0.260 0.000 2.520 40 N HA -0.040 4.700 4.740 -0.000 0.000 0.185 40 N C 1.064 176.682 175.510 0.179 0.000 1.068 40 N CA 0.548 53.736 53.050 0.230 0.000 0.911 40 N CB 0.136 38.807 38.487 0.307 0.000 0.961 40 N HN 0.278 nan 8.380 nan 0.000 0.446 41 K N -0.553 119.967 120.400 0.199 0.000 2.506 41 K HA 0.183 4.503 4.320 -0.000 0.000 0.204 41 K C 0.522 177.210 176.600 0.147 0.000 1.045 41 K CA -0.010 56.379 56.287 0.170 0.000 1.074 41 K CB 1.366 33.936 32.500 0.117 0.000 0.842 41 K HN 0.106 nan 8.250 nan 0.000 0.514 42 G N 1.219 110.095 108.800 0.125 0.000 2.159 42 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.256 42 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.256 42 G C -0.009 174.750 174.900 -0.235 0.000 0.977 42 G CA -0.021 44.846 45.100 -0.388 0.000 0.652 42 G HN 0.226 nan 8.290 nan 0.000 0.531 43 Q N -0.038 119.731 119.800 -0.051 0.000 2.214 43 Q HA 0.639 4.979 4.340 -0.000 0.000 0.251 43 Q C 0.835 176.847 176.000 0.019 0.000 0.936 43 Q CA -0.708 55.081 55.803 -0.023 0.000 0.894 43 Q CB 0.980 29.728 28.738 0.015 0.000 1.252 43 Q HN 0.461 nan 8.270 nan 0.000 0.448 44 I N 2.380 122.960 120.570 0.016 0.000 2.529 44 I HA 0.068 4.238 4.170 -0.000 0.000 0.284 44 I C 0.495 176.657 176.117 0.076 0.000 1.082 44 I CA 0.172 61.507 61.300 0.059 0.000 1.406 44 I CB 0.446 38.466 38.000 0.033 0.000 1.405 44 I HN 0.181 nan 8.210 nan 0.000 0.548 45 K N 6.365 126.838 120.400 0.121 0.000 2.244 45 K HA 0.183 4.503 4.320 -0.000 0.000 0.263 45 K C 0.528 177.147 176.600 0.032 0.000 1.103 45 K CA -0.215 56.105 56.287 0.056 0.000 0.966 45 K CB 0.822 33.327 32.500 0.008 0.000 1.429 45 K HN 0.527 nan 8.250 nan 0.000 0.434 46 E N 1.631 121.844 120.200 0.022 0.000 2.097 46 E HA -0.216 4.134 4.350 -0.000 0.000 0.196 46 E C 0.090 176.690 176.600 0.001 0.000 1.000 46 E CA 1.369 57.779 56.400 0.017 0.000 0.804 46 E CB 0.118 29.822 29.700 0.007 0.000 0.740 46 E HN 0.531 nan 8.360 nan 0.000 0.454 50 T N 1.344 115.980 114.554 0.136 0.000 2.753 50 T HA 0.547 4.897 4.350 -0.000 0.000 0.297 50 T C -0.643 174.123 174.700 0.109 0.000 0.981 50 T CA -0.081 62.103 62.100 0.140 0.000 0.956 50 T CB 0.412 69.321 68.868 0.068 0.000 0.936 50 T HN 0.434 nan 8.240 nan 0.000 0.463 51 H N 1.900 120.962 119.070 -0.013 0.000 2.487 51 H HA 0.293 4.849 4.556 -0.000 0.000 0.333 51 H C 0.986 176.233 175.328 -0.136 0.000 1.114 51 H CA -1.044 54.968 56.048 -0.059 0.000 1.310 51 H CB 1.060 30.675 29.762 -0.245 0.000 1.462 51 H HN 0.365 nan 8.280 nan 0.000 0.516 52 L N 3.178 124.443 121.223 0.070 0.000 2.046 52 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 52 L C 1.941 178.775 176.870 -0.061 0.000 1.077 52 L CA 1.433 56.271 54.840 -0.003 0.000 0.747 52 L CB -0.586 41.477 42.059 0.007 0.000 0.896 52 L HN 0.816 nan 8.230 nan 0.000 0.432 53 W N -0.435 120.810 121.300 -0.091 0.000 2.402 53 W HA -0.112 4.548 4.660 -0.000 0.000 0.286 53 W C 1.996 178.314 176.519 -0.335 0.000 1.221 53 W CA 0.907 58.117 57.345 -0.225 0.000 1.257 53 W CB -1.192 28.185 29.460 -0.138 0.000 1.120 53 W HN 0.194 nan 8.180 nan 0.000 0.551 54 I N 1.506 121.519 120.570 -0.928 0.000 2.286 54 I HA -0.221 3.949 4.170 -0.000 0.000 0.245 54 I C 2.551 178.418 176.117 -0.417 0.000 1.104 54 I CA 1.821 62.595 61.300 -0.877 0.000 1.397 54 I CB -0.791 36.617 38.000 -0.987 0.000 1.072 54 I HN -0.122 nan 8.210 nan 0.000 0.417 55 T N 0.909 115.339 114.554 -0.207 0.000 2.746 55 T HA -0.142 4.208 4.350 -0.000 0.000 0.267 55 T C 2.022 176.671 174.700 -0.086 0.000 1.039 55 T CA 1.508 63.634 62.100 0.043 0.000 1.142 55 T CB -0.238 68.689 68.868 0.098 0.000 0.866 55 T HN 0.456 nan 8.240 nan 0.000 0.444 56 A N 1.499 124.207 122.820 -0.187 0.000 1.930 56 A HA 0.030 4.350 4.320 -0.000 0.000 0.217 56 A C 1.619 179.070 177.584 -0.222 0.000 1.175 56 A CA 0.775 52.695 52.037 -0.196 0.000 0.627 56 A CB -0.269 18.613 19.000 -0.198 0.000 0.815 56 A HN 0.379 nan 8.150 nan 0.000 0.443 60 H N 0.300 119.298 119.070 -0.120 0.000 2.319 60 H HA -0.078 4.478 4.556 -0.000 0.000 0.299 60 H C 1.771 177.041 175.328 -0.097 0.000 1.092 60 H CA 3.145 59.151 56.048 -0.070 0.000 1.302 60 H CB -0.295 29.448 29.762 -0.030 0.000 1.373 60 H HN 0.135 nan 8.280 nan 0.000 0.497 61 V N 0.107 119.789 119.914 -0.387 0.000 2.287 61 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 61 V C 2.032 177.728 176.094 -0.663 0.000 1.053 61 V CA 2.176 64.153 62.300 -0.539 0.000 1.027 61 V CB -0.832 30.679 31.823 -0.520 0.000 0.646 61 V HN 0.491 nan 8.190 nan 0.000 0.447 62 Y N 0.242 120.371 120.300 -0.286 0.000 2.516 62 Y HA -0.059 4.491 4.550 -0.000 0.000 0.291 62 Y C 2.681 178.448 175.900 -0.221 0.000 1.131 62 Y CA 0.916 58.834 58.100 -0.303 0.000 1.281 62 Y CB -0.517 37.806 38.460 -0.229 0.000 1.013 62 Y HN 0.162 nan 8.280 nan 0.000 0.554 63 S N -0.650 114.984 115.700 -0.110 0.000 2.368 63 S HA -0.146 4.324 4.470 -0.000 0.000 0.224 63 S C 2.249 176.794 174.600 -0.092 0.000 1.029 63 S CA 1.322 59.492 58.200 -0.050 0.000 0.988 63 S CB -0.573 62.600 63.200 -0.045 0.000 0.838 63 S HN 0.235 nan 8.310 nan 0.000 0.462 64 V N 2.035 121.833 119.914 -0.193 0.000 2.343 64 V HA -0.186 3.934 4.120 -0.000 0.000 0.247 64 V C 2.646 178.672 176.094 -0.114 0.000 1.051 64 V CA 1.705 63.929 62.300 -0.127 0.000 1.036 64 V CB -1.167 30.577 31.823 -0.131 0.000 0.654 64 V HN 0.535 nan 8.190 nan 0.000 0.451 65 A N -0.073 122.535 122.820 -0.353 0.000 1.933 65 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 65 A C 2.430 179.890 177.584 -0.207 0.000 1.175 65 A CA 2.049 53.734 52.037 -0.587 0.000 0.628 65 A CB -0.758 17.448 19.000 -1.323 0.000 0.814 65 A HN 0.568 nan 8.150 nan 0.000 0.444 66 A N -0.251 122.509 122.820 -0.099 0.000 1.883 66 A HA 0.036 4.356 4.320 -0.000 0.000 0.217 66 A C 1.840 179.425 177.584 0.001 0.000 1.186 66 A CA 1.520 53.564 52.037 0.012 0.000 0.624 66 A CB -0.872 18.206 19.000 0.129 0.000 0.822 66 A HN 0.455 nan 8.150 nan 0.000 0.444 70 R N 1.728 122.232 120.500 0.007 0.000 2.202 70 R HA 0.531 4.871 4.340 -0.000 0.000 0.334 70 R C -2.440 173.865 176.300 0.008 0.000 1.036 70 R CA -1.938 54.170 56.100 0.013 0.000 0.878 70 R CB 0.522 30.820 30.300 -0.003 0.000 1.067 70 R HN 0.097 nan 8.270 nan 0.000 0.457 71 P HA 0.072 nan 4.420 nan 0.000 0.265 71 P C 0.684 177.988 177.300 0.008 0.000 1.187 71 P CA 0.892 64.001 63.100 0.014 0.000 0.766 71 P CB 0.876 32.583 31.700 0.011 0.000 0.820 72 G N 1.974 110.781 108.800 0.012 0.000 2.454 72 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.225 72 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.225 72 G C 1.330 176.203 174.900 -0.044 0.000 1.138 72 G CA 0.734 45.820 45.100 -0.024 0.000 0.667 72 G HN 0.675 nan 8.290 nan 0.000 0.512 73 A N -0.050 122.759 122.820 -0.018 0.000 1.869 73 A HA -0.035 4.285 4.320 -0.000 0.000 0.218 73 A C 2.068 179.694 177.584 0.070 0.000 1.203 73 A CA 2.636 54.680 52.037 0.011 0.000 0.638 73 A CB -0.907 18.098 19.000 0.007 0.000 0.831 73 A HN 1.417 nan 8.150 nan 0.000 0.450 74 Y N 0.793 121.089 120.300 -0.007 0.000 2.193 74 Y HA -0.254 4.296 4.550 -0.000 0.000 0.285 74 Y C 2.046 177.979 175.900 0.055 0.000 1.166 74 Y CA 2.044 60.165 58.100 0.035 0.000 1.181 74 Y CB -0.498 37.979 38.460 0.029 0.000 0.976 74 Y HN 0.471 nan 8.280 nan 0.000 0.520 75 D N -0.396 120.010 120.400 0.010 0.000 2.117 75 D HA -0.176 4.464 4.640 -0.000 0.000 0.197 75 D C 2.160 178.411 176.300 -0.083 0.000 0.987 75 D CA 1.520 55.484 54.000 -0.059 0.000 0.829 75 D CB -0.291 40.496 40.800 -0.021 0.000 0.961 75 D HN 0.425 nan 8.370 nan 0.000 0.460 76 L N -0.444 120.718 121.223 -0.101 0.000 2.141 76 L HA -0.110 4.230 4.340 -0.000 0.000 0.209 76 L C 2.413 179.335 176.870 0.086 0.000 1.094 76 L CA 0.324 55.125 54.840 -0.066 0.000 0.763 76 L CB -0.263 41.577 42.059 -0.364 0.000 0.908 76 L HN 0.023 nan 8.230 nan 0.000 0.437 77 V N 0.164 120.071 119.914 -0.011 0.000 2.307 77 V HA -0.317 3.803 4.120 -0.000 0.000 0.245 77 V C 2.222 178.216 176.094 -0.168 0.000 1.045 77 V CA 2.200 64.469 62.300 -0.052 0.000 1.024 77 V CB -0.471 31.293 31.823 -0.098 0.000 0.651 77 V HN 0.482 nan 8.190 nan 0.000 0.449 78 D N -0.670 119.580 120.400 -0.251 0.000 2.104 78 D HA -0.290 4.350 4.640 -0.000 0.000 0.194 78 D C 2.193 178.425 176.300 -0.112 0.000 0.994 78 D CA 1.736 55.612 54.000 -0.207 0.000 0.830 78 D CB -0.267 40.484 40.800 -0.080 0.000 0.959 78 D HN 0.569 nan 8.370 nan 0.000 0.452 79 H N -0.423 118.566 119.070 -0.134 0.000 2.387 79 H HA -0.067 4.489 4.556 -0.000 0.000 0.299 79 H C 2.019 177.281 175.328 -0.109 0.000 1.099 79 H CA 1.879 57.842 56.048 -0.142 0.000 1.315 79 H CB -0.498 29.142 29.762 -0.204 0.000 1.380 79 H HN 0.312 nan 8.280 nan 0.000 0.513 80 G N 0.793 109.695 108.800 0.169 0.000 2.408 80 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.217 80 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.217 80 G C 2.031 176.924 174.900 -0.012 0.000 1.150 80 G CA 0.789 46.017 45.100 0.214 0.000 0.776 80 G HN 0.431 nan 8.290 nan 0.000 0.542 81 I N -0.122 120.380 120.570 -0.114 0.000 2.353 81 I HA -0.061 4.109 4.170 -0.000 0.000 0.248 81 I C 2.716 178.763 176.117 -0.117 0.000 1.119 81 I CA 0.832 62.041 61.300 -0.152 0.000 1.417 81 I CB -0.059 37.748 38.000 -0.321 0.000 1.078 81 I HN -0.004 nan 8.210 nan 0.000 0.421 82 K N 1.495 121.800 120.400 -0.157 0.000 2.057 82 K HA 0.016 4.336 4.320 -0.000 0.000 0.207 82 K C 1.145 177.655 176.600 -0.150 0.000 1.049 82 K CA 0.987 57.181 56.287 -0.156 0.000 0.931 82 K CB -0.546 31.822 32.500 -0.220 0.000 0.714 82 K HN 0.310 nan 8.250 nan 0.000 0.440 86 G N 0.476 109.282 108.800 0.011 0.000 3.227 86 G HA2 0.583 4.543 3.960 -0.000 0.000 0.171 86 G HA3 0.583 4.543 3.960 -0.000 0.000 0.171 86 G C 1.201 176.128 174.900 0.044 0.000 1.463 86 G CA 0.475 45.574 45.100 -0.002 0.000 1.016 86 G HN 0.125 nan 8.290 nan 0.000 0.594 87 A N -0.363 122.486 122.820 0.048 0.000 1.929 87 A HA -0.135 4.185 4.320 -0.000 0.000 0.221 87 A C 2.465 180.173 177.584 0.207 0.000 1.211 87 A CA 2.031 54.130 52.037 0.102 0.000 0.657 87 A CB -0.840 18.197 19.000 0.061 0.000 0.827 87 A HN 0.410 nan 8.150 nan 0.000 0.462 88 L N -1.283 120.061 121.223 0.201 0.000 2.191 88 L HA -0.101 4.239 4.340 -0.000 0.000 0.212 88 L C 1.728 178.761 176.870 0.270 0.000 1.103 88 L CA 0.594 55.613 54.840 0.298 0.000 0.769 88 L CB -0.263 41.958 42.059 0.270 0.000 0.908 88 L HN 0.399 nan 8.230 nan 0.000 0.438 89 R N 0.827 121.404 120.500 0.128 0.000 2.390 89 R HA 0.010 4.350 4.340 -0.000 0.000 0.291 89 R C -0.342 175.723 176.300 -0.391 0.000 1.070 89 R CA -0.387 55.567 56.100 -0.243 0.000 1.014 89 R CB 0.617 30.752 30.300 -0.273 0.000 1.007 89 R HN -0.121 nan 8.270 nan 0.000 0.466 90 D N 3.797 123.809 120.400 -0.647 0.000 2.453 90 D HA 0.063 4.703 4.640 -0.000 0.000 0.223 90 D C -0.396 175.760 176.300 -0.240 0.000 1.183 90 D CA -0.182 53.469 54.000 -0.581 0.000 0.933 90 D CB 0.894 41.361 40.800 -0.554 0.000 1.038 90 D HN 0.374 nan 8.370 nan 0.000 0.513 91 K N 2.475 122.789 120.400 -0.145 0.000 2.630 91 K HA 0.019 4.339 4.320 -0.000 0.000 0.204 91 K C 1.152 177.675 176.600 -0.129 0.000 1.024 91 K CA 0.214 56.426 56.287 -0.125 0.000 1.157 91 K CB 0.505 32.951 32.500 -0.091 0.000 0.899 91 K HN 0.261 nan 8.250 nan 0.000 0.501 92 K N -1.231 119.060 120.400 -0.182 0.000 2.494 92 K HA 0.095 4.415 4.320 -0.000 0.000 0.201 92 K C 0.503 176.879 176.600 -0.373 0.000 1.338 92 K CA 0.182 56.257 56.287 -0.354 0.000 0.935 92 K CB 0.304 32.449 32.500 -0.590 0.000 1.514 92 K HN 0.039 nan 8.250 nan 0.000 0.490 93 Y N 0.417 120.758 120.300 0.068 0.000 2.458 93 Y HA 0.373 4.923 4.550 -0.000 0.000 0.254 93 Y C 0.653 176.674 175.900 0.201 0.000 1.120 93 Y CA 0.297 58.480 58.100 0.138 0.000 1.282 93 Y CB 1.246 39.789 38.460 0.138 0.000 1.109 93 Y HN 0.331 nan 8.280 nan 0.000 0.526 94 G N -0.632 108.295 108.800 0.212 0.000 2.619 94 G HA2 0.397 4.357 3.960 -0.000 0.000 0.686 94 G HA3 0.397 4.357 3.960 -0.000 0.000 0.686 94 G C 0.107 175.100 174.900 0.154 0.000 1.256 94 G CA -0.603 44.585 45.100 0.147 0.000 0.826 94 G HN 1.037 nan 8.290 nan 0.000 0.619 95 G N -0.298 108.445 108.800 -0.094 0.000 2.593 95 G HA2 0.083 4.043 3.960 -0.000 0.000 0.237 95 G HA3 0.083 4.043 3.960 -0.000 0.000 0.237 95 G C 0.076 174.730 174.900 -0.409 0.000 1.312 95 G CA 0.443 45.493 45.100 -0.084 0.000 0.896 95 G HN 1.791 nan 8.290 nan 0.000 0.574 96 W N -0.988 120.526 121.300 0.357 0.000 2.936 96 W HA 0.565 5.225 4.660 -0.000 0.000 0.338 96 W C -0.721 175.794 176.519 -0.007 0.000 1.121 96 W CA -1.015 56.317 57.345 -0.022 0.000 1.209 96 W CB 1.435 30.834 29.460 -0.102 0.000 1.420 96 W HN 0.480 nan 8.180 nan 0.000 0.516 97 Y N 0.876 121.352 120.300 0.294 0.000 2.397 97 Y HA 0.174 4.724 4.550 -0.000 0.000 0.335 97 Y C 1.404 177.399 175.900 0.158 0.000 1.213 97 Y CA 0.388 58.601 58.100 0.188 0.000 1.391 97 Y CB 0.350 38.879 38.460 0.115 0.000 1.293 97 Y HN 0.566 nan 8.280 nan 0.000 0.557 98 A N 1.501 124.499 122.820 0.296 0.000 1.908 98 A HA -0.084 4.236 4.320 -0.000 0.000 0.218 98 A C 0.816 178.467 177.584 0.111 0.000 1.181 98 A CA 1.615 53.766 52.037 0.191 0.000 0.627 98 A CB -0.396 18.708 19.000 0.173 0.000 0.818 98 A HN 0.727 nan 8.150 nan 0.000 0.445 99 C N -1.262 118.073 119.300 0.057 0.000 2.985 99 C HA 0.626 5.086 4.460 -0.000 0.000 0.332 99 C C -0.708 174.268 174.990 -0.023 0.000 1.164 99 C CA -0.183 58.783 59.018 -0.087 0.000 1.347 99 C CB 0.878 28.406 27.740 -0.354 0.000 1.764 99 C HN 1.116 nan 8.230 nan 0.000 0.489 100 V N 3.066 122.973 119.914 -0.012 0.000 3.165 100 V HA 0.916 5.036 4.120 -0.000 0.000 0.309 100 V C -1.006 175.085 176.094 -0.004 0.000 1.267 100 V CA -0.457 61.841 62.300 -0.003 0.000 1.067 100 V CB 1.994 33.853 31.823 0.061 0.000 1.082 100 V HN 1.216 nan 8.190 nan 0.000 0.451 101 N N -2.014 116.681 118.700 -0.008 0.000 3.344 101 N HA 0.398 5.138 4.740 -0.000 0.000 0.296 101 N C 0.052 175.557 175.510 -0.007 0.000 1.571 101 N CA -0.151 52.897 53.050 -0.003 0.000 0.844 101 N CB 0.241 38.723 38.487 -0.009 0.000 1.718 101 N HN 0.524 nan 8.380 nan 0.000 0.589 102 D N -0.756 119.639 120.400 -0.008 0.000 2.218 102 D HA -0.109 4.531 4.640 -0.000 0.000 0.204 102 D C 0.702 176.993 176.300 -0.016 0.000 0.976 102 D CA 1.509 55.502 54.000 -0.012 0.000 0.853 102 D CB 0.113 40.906 40.800 -0.012 0.000 0.939 102 D HN 0.451 nan 8.370 nan 0.000 0.481 103 Q N -0.303 119.485 119.800 -0.019 0.000 2.339 103 Q HA 0.268 4.608 4.340 -0.000 0.000 0.205 103 Q C 0.977 176.958 176.000 -0.031 0.000 0.925 103 Q CA 0.390 56.179 55.803 -0.023 0.000 0.898 103 Q CB 1.134 29.859 28.738 -0.023 0.000 1.013 103 Q HN 0.272 nan 8.270 nan 0.000 0.504 104 G N -1.719 107.057 108.800 -0.040 0.000 2.399 104 G HA2 0.260 4.220 3.960 -0.000 0.000 0.256 104 G HA3 0.260 4.220 3.960 -0.000 0.000 0.256 104 G C -1.613 173.230 174.900 -0.094 0.000 1.236 104 G CA -0.614 44.448 45.100 -0.063 0.000 0.914 104 G HN -0.155 nan 8.290 nan 0.000 0.482 105 V N 0.597 120.408 119.914 -0.172 0.000 2.607 105 V HA 0.421 4.541 4.120 -0.000 0.000 0.289 105 V C 1.170 177.165 176.094 -0.165 0.000 1.053 105 V CA -0.046 62.096 62.300 -0.263 0.000 0.996 105 V CB 1.375 32.853 31.823 -0.575 0.000 0.995 105 V HN 0.662 nan 8.190 nan 0.000 0.476 106 V N 1.249 121.088 119.914 -0.125 0.000 2.908 106 V HA 0.242 4.362 4.120 -0.000 0.000 0.240 106 V C 0.218 176.271 176.094 -0.067 0.000 1.117 106 V CA 0.609 62.858 62.300 -0.084 0.000 1.133 106 V CB 0.291 32.069 31.823 -0.074 0.000 0.857 106 V HN 0.919 nan 8.190 nan 0.000 0.478 107 D N -0.068 120.301 120.400 -0.051 0.000 2.336 107 D HA 0.493 5.133 4.640 -0.000 0.000 0.248 107 D C 0.466 176.805 176.300 0.065 0.000 1.326 107 D CA 0.217 54.219 54.000 0.002 0.000 0.973 107 D CB 1.623 42.436 40.800 0.021 0.000 1.255 107 D HN 0.121 nan 8.370 nan 0.000 0.558 108 A N 2.529 125.375 122.820 0.043 0.000 2.235 108 A HA 0.144 4.464 4.320 -0.000 0.000 0.208 108 A C 1.091 178.811 177.584 0.226 0.000 1.172 108 A CA 0.316 52.466 52.037 0.188 0.000 0.786 108 A CB -0.455 18.585 19.000 0.067 0.000 0.804 108 A HN 0.545 nan 8.150 nan 0.000 0.479 109 S N 0.413 116.201 115.700 0.147 0.000 2.573 109 S HA 0.308 4.778 4.470 -0.000 0.000 0.277 109 S C -0.255 174.470 174.600 0.208 0.000 1.346 109 S CA -0.209 58.070 58.200 0.132 0.000 1.034 109 S CB 0.581 63.861 63.200 0.134 0.000 0.879 109 S HN 0.185 nan 8.310 nan 0.000 0.528 110 K N 2.534 123.054 120.400 0.200 0.000 2.464 110 K HA 0.341 4.661 4.320 -0.000 0.000 0.252 110 K C -0.575 176.335 176.600 0.517 0.000 1.000 110 K CA -0.092 56.428 56.287 0.388 0.000 0.951 110 K CB 1.166 33.728 32.500 0.104 0.000 1.183 110 K HN 0.717 nan 8.250 nan 0.000 0.445 111 Q N 0.245 120.332 119.800 0.477 0.000 2.241 111 Q HA 0.303 4.643 4.340 -0.000 0.000 0.254 111 Q C 1.334 177.427 176.000 0.155 0.000 0.917 111 Q CA -0.373 55.643 55.803 0.355 0.000 0.919 111 Q CB 1.474 30.328 28.738 0.194 0.000 1.237 111 Q HN 0.739 nan 8.270 nan 0.000 0.434 112 G N 1.726 110.618 108.800 0.154 0.000 2.545 112 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.217 112 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.217 112 G C 1.204 176.102 174.900 -0.004 0.000 1.218 112 G CA 1.495 46.456 45.100 -0.233 0.000 0.787 112 G HN 0.876 nan 8.290 nan 0.000 0.571 113 Y N 0.668 121.125 120.300 0.262 0.000 2.207 113 Y HA -0.114 4.436 4.550 -0.000 0.000 0.287 113 Y C 2.650 178.650 175.900 0.167 0.000 1.156 113 Y CA 1.987 60.238 58.100 0.252 0.000 1.182 113 Y CB -0.493 38.100 38.460 0.222 0.000 0.979 113 Y HN 0.300 nan 8.280 nan 0.000 0.521 114 Q N -0.466 118.982 119.800 -0.587 0.000 2.172 114 Q HA -0.154 4.186 4.340 -0.000 0.000 0.200 114 Q C 1.976 177.842 176.000 -0.223 0.000 0.964 114 Q CA 1.351 56.912 55.803 -0.403 0.000 0.855 114 Q CB -0.296 28.186 28.738 -0.426 0.000 0.918 114 Q HN 0.744 nan 8.270 nan 0.000 0.444 115 H N -1.093 117.791 119.070 -0.310 0.000 2.470 115 H HA -0.029 4.527 4.556 -0.000 0.000 0.289 115 H C 1.562 176.692 175.328 -0.330 0.000 1.033 115 H CA 0.746 56.594 56.048 -0.333 0.000 1.331 115 H CB 0.225 29.650 29.762 -0.562 0.000 1.414 115 H HN 0.210 nan 8.280 nan 0.000 0.545 116 F N -0.307 119.593 119.950 -0.083 0.000 2.259 116 F HA -0.090 4.437 4.527 -0.000 0.000 0.298 116 F C 2.068 177.771 175.800 -0.161 0.000 1.088 116 F CA 0.514 58.454 58.000 -0.099 0.000 1.358 116 F CB -0.485 38.418 39.000 -0.161 0.000 1.040 116 F HN 0.022 nan 8.300 nan 0.000 0.505 117 F N -0.031 119.914 119.950 -0.008 0.000 2.325 117 F HA -0.027 4.500 4.527 -0.000 0.000 0.299 117 F C 2.390 178.067 175.800 -0.205 0.000 1.090 117 F CA 0.705 58.614 58.000 -0.153 0.000 1.392 117 F CB -1.081 37.789 39.000 -0.217 0.000 1.053 117 F HN -0.067 nan 8.300 nan 0.000 0.521 118 A N -0.355 122.407 122.820 -0.096 0.000 1.898 118 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 118 A C 2.127 179.592 177.584 -0.199 0.000 1.181 118 A CA 1.430 53.263 52.037 -0.341 0.000 0.620 118 A CB -1.011 17.537 19.000 -0.754 0.000 0.819 118 A HN 0.326 nan 8.150 nan 0.000 0.442 119 L N -0.760 120.425 121.223 -0.063 0.000 2.093 119 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 119 L C 2.227 179.100 176.870 0.005 0.000 1.085 119 L CA 1.888 56.740 54.840 0.019 0.000 0.755 119 L CB -0.505 41.651 42.059 0.161 0.000 0.904 119 L HN 0.385 nan 8.230 nan 0.000 0.435 120 L N -0.433 120.801 121.223 0.019 0.000 2.056 120 L HA 0.064 4.404 4.340 -0.000 0.000 0.207 120 L C 2.313 179.200 176.870 0.028 0.000 1.078 120 L CA 2.054 56.899 54.840 0.009 0.000 0.749 120 L CB -1.447 40.603 42.059 -0.015 0.000 0.901 120 L HN 0.245 nan 8.230 nan 0.000 0.433 121 G N -0.863 107.944 108.800 0.012 0.000 2.440 121 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.218 121 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.218 121 G C 1.572 176.472 174.900 0.001 0.000 1.154 121 G CA 0.864 45.975 45.100 0.018 0.000 0.767 121 G HN 0.652 nan 8.290 nan 0.000 0.552 122 A N 1.005 123.807 122.820 -0.031 0.000 1.897 122 A HA 0.379 4.699 4.320 -0.000 0.000 0.215 122 A C 2.801 180.382 177.584 -0.006 0.000 1.181 122 A CA 2.029 54.055 52.037 -0.018 0.000 0.620 122 A CB -0.705 18.293 19.000 -0.004 0.000 0.821 122 A HN 0.739 nan 8.150 nan 0.000 0.443 123 A N -0.581 122.230 122.820 -0.016 0.000 1.902 123 A HA -0.060 4.260 4.320 -0.000 0.000 0.217 123 A C 2.442 180.031 177.584 0.008 0.000 1.181 123 A CA 2.048 54.066 52.037 -0.030 0.000 0.623 123 A CB -0.819 18.144 19.000 -0.062 0.000 0.818 123 A HN 0.428 nan 8.150 nan 0.000 0.443 124 S N -0.263 115.471 115.700 0.057 0.000 2.368 124 S HA -0.013 4.457 4.470 -0.000 0.000 0.224 124 S C 2.294 176.922 174.600 0.047 0.000 1.029 124 S CA 1.090 59.344 58.200 0.090 0.000 0.988 124 S CB -0.430 62.903 63.200 0.222 0.000 0.838 124 S HN 0.792 nan 8.310 nan 0.000 0.462 125 A N 0.946 123.786 122.820 0.033 0.000 1.972 125 A HA -0.047 4.273 4.320 -0.000 0.000 0.219 125 A C 2.239 179.855 177.584 0.052 0.000 1.169 125 A CA 1.247 53.299 52.037 0.025 0.000 0.635 125 A CB -0.783 18.204 19.000 -0.021 0.000 0.810 125 A HN 0.349 nan 8.150 nan 0.000 0.446 126 V N 0.724 120.660 119.914 0.035 0.000 2.594 126 V HA -0.223 3.897 4.120 -0.000 0.000 0.253 126 V C 2.918 179.035 176.094 0.038 0.000 1.069 126 V CA 2.301 64.623 62.300 0.038 0.000 1.082 126 V CB -1.191 30.634 31.823 0.004 0.000 0.680 126 V HN 0.877 nan 8.190 nan 0.000 0.469 127 T N -2.051 112.521 114.554 0.030 0.000 3.007 127 T HA -0.156 4.194 4.350 -0.000 0.000 0.270 127 T C 1.715 176.442 174.700 0.045 0.000 1.107 127 T CA 1.555 63.668 62.100 0.023 0.000 1.118 127 T CB -0.545 68.332 68.868 0.016 0.000 0.889 127 T HN 0.629 nan 8.240 nan 0.000 0.506 128 T N -2.244 112.363 114.554 0.088 0.000 3.088 128 T HA 0.394 4.744 4.350 -0.000 0.000 0.259 128 T C 2.014 176.797 174.700 0.139 0.000 1.122 128 T CA 0.709 62.890 62.100 0.134 0.000 1.095 128 T CB -0.643 68.380 68.868 0.258 0.000 0.930 128 T HN 0.934 nan 8.240 nan 0.000 0.508 129 G N 1.175 110.051 108.800 0.126 0.000 2.179 129 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.260 129 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.260 129 G C 0.037 175.042 174.900 0.174 0.000 0.977 129 G CA 0.244 45.406 45.100 0.103 0.000 0.641 129 G HN 0.912 nan 8.290 nan 0.000 0.533 130 H N 2.546 121.734 119.070 0.196 0.000 3.167 130 H HA 0.075 4.631 4.556 -0.000 0.000 0.306 130 H C -0.103 175.293 175.328 0.113 0.000 0.965 130 H CA 0.008 56.193 56.048 0.229 0.000 1.408 130 H CB 1.225 31.068 29.762 0.134 0.000 1.406 130 H HN 0.230 nan 8.280 nan 0.000 0.576 131 P HA -0.168 nan 4.420 nan 0.000 0.217 131 P C 0.711 178.117 177.300 0.176 0.000 1.148 131 P CA 1.199 64.338 63.100 0.065 0.000 0.828 131 P CB 0.464 32.141 31.700 -0.038 0.000 0.783 132 E N -0.955 119.482 120.200 0.395 0.000 2.479 132 E HA 0.149 4.499 4.350 -0.000 0.000 0.193 132 E C 1.953 178.643 176.600 0.150 0.000 1.049 132 E CA 0.275 56.822 56.400 0.245 0.000 0.870 132 E CB -0.143 29.696 29.700 0.232 0.000 0.944 132 E HN 0.208 nan 8.360 nan 0.000 0.492 133 A N 1.557 124.484 122.820 0.179 0.000 1.841 133 A HA -0.199 4.121 4.320 -0.000 0.000 0.214 133 A C 2.233 179.858 177.584 0.070 0.000 1.195 133 A CA 1.721 53.802 52.037 0.073 0.000 0.611 133 A CB -0.340 18.715 19.000 0.092 0.000 0.835 133 A HN 0.090 nan 8.150 nan 0.000 0.443 134 R N 0.465 121.011 120.500 0.077 0.000 2.105 134 R HA -0.161 4.179 4.340 -0.000 0.000 0.239 134 R C 2.120 178.465 176.300 0.075 0.000 1.135 134 R CA 2.309 58.445 56.100 0.060 0.000 0.967 134 R CB -0.509 29.822 30.300 0.051 0.000 0.861 134 R HN 0.597 nan 8.270 nan 0.000 0.442 135 K N -0.352 120.097 120.400 0.082 0.000 2.057 135 K HA -0.147 4.173 4.320 -0.000 0.000 0.207 135 K C 1.897 178.575 176.600 0.130 0.000 1.049 135 K CA 1.502 57.845 56.287 0.093 0.000 0.931 135 K CB -0.293 32.250 32.500 0.073 0.000 0.714 135 K HN 0.220 nan 8.250 nan 0.000 0.440 136 L N 1.496 122.790 121.223 0.119 0.000 2.046 136 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 136 L C 2.090 179.093 176.870 0.223 0.000 1.077 136 L CA 1.411 56.353 54.840 0.171 0.000 0.747 136 L CB -0.702 41.419 42.059 0.104 0.000 0.896 136 L HN 0.298 nan 8.230 nan 0.000 0.432 137 L N -0.344 120.959 121.223 0.135 0.000 2.017 137 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 137 L C 2.124 179.073 176.870 0.133 0.000 1.073 137 L CA 1.940 56.841 54.840 0.102 0.000 0.745 137 L CB -1.068 41.007 42.059 0.027 0.000 0.894 137 L HN 0.323 nan 8.230 nan 0.000 0.432 138 D N -1.369 119.113 120.400 0.136 0.000 2.104 138 D HA -0.284 4.356 4.640 -0.000 0.000 0.194 138 D C 2.020 178.428 176.300 0.181 0.000 0.994 138 D CA 1.870 55.953 54.000 0.139 0.000 0.830 138 D CB -0.390 40.483 40.800 0.122 0.000 0.959 138 D HN 0.501 nan 8.370 nan 0.000 0.452 139 Y N 1.882 122.252 120.300 0.118 0.000 2.114 139 Y HA -0.249 4.301 4.550 -0.000 0.000 0.284 139 Y C 2.424 178.449 175.900 0.209 0.000 1.143 139 Y CA 2.121 60.297 58.100 0.127 0.000 1.135 139 Y CB -0.624 37.911 38.460 0.125 0.000 0.980 139 Y HN -0.105 nan 8.280 nan 0.000 0.499 140 T N 1.645 116.431 114.554 0.386 0.000 2.759 140 T HA -0.198 4.152 4.350 -0.000 0.000 0.269 140 T C 1.891 176.720 174.700 0.215 0.000 1.042 140 T CA 1.682 64.033 62.100 0.418 0.000 1.140 140 T CB -0.353 68.728 68.868 0.355 0.000 0.864 140 T HN 0.279 nan 8.240 nan 0.000 0.455 141 I N 1.590 122.258 120.570 0.164 0.000 2.264 141 I HA -0.128 4.042 4.170 -0.000 0.000 0.248 141 I C 2.414 178.622 176.117 0.150 0.000 1.111 141 I CA 1.377 62.801 61.300 0.207 0.000 1.382 141 I CB -1.158 36.974 38.000 0.220 0.000 1.060 141 I HN 0.438 nan 8.210 nan 0.000 0.418 142 E N 0.611 120.816 120.200 0.008 0.000 2.031 142 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 142 E C 2.363 178.856 176.600 -0.179 0.000 0.994 142 E CA 1.369 57.701 56.400 -0.113 0.000 0.800 142 E CB -0.166 29.403 29.700 -0.218 0.000 0.752 142 E HN 0.251 nan 8.360 nan 0.000 0.447 143 V N 2.037 121.814 119.914 -0.230 0.000 2.282 143 V HA -0.284 3.836 4.120 -0.000 0.000 0.249 143 V C 2.342 178.475 176.094 0.065 0.000 1.057 143 V CA 1.390 63.607 62.300 -0.137 0.000 1.032 143 V CB -0.479 31.353 31.823 0.016 0.000 0.645 143 V HN 0.282 nan 8.190 nan 0.000 0.447 144 I N 0.113 120.824 120.570 0.236 0.000 2.179 144 I HA -0.208 3.962 4.170 -0.000 0.000 0.242 144 I C 2.526 178.855 176.117 0.354 0.000 1.088 144 I CA 1.732 63.271 61.300 0.399 0.000 1.357 144 I CB -1.254 37.030 38.000 0.473 0.000 1.051 144 I HN 0.467 nan 8.210 nan 0.000 0.409 145 E N 0.307 120.646 120.200 0.233 0.000 2.274 145 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 145 E C 2.100 178.703 176.600 0.004 0.000 0.996 145 E CA 0.685 57.201 56.400 0.192 0.000 0.840 145 E CB 0.079 29.841 29.700 0.103 0.000 0.772 145 E HN 0.430 nan 8.360 nan 0.000 0.491 146 K N -0.088 120.168 120.400 -0.240 0.000 2.099 146 K HA -0.060 4.260 4.320 -0.000 0.000 0.203 146 K C 1.088 177.255 176.600 -0.721 0.000 1.047 146 K CA 0.878 56.809 56.287 -0.594 0.000 0.963 146 K CB 0.228 32.113 32.500 -1.025 0.000 0.759 146 K HN 0.055 nan 8.250 nan 0.000 0.451 147 Y N -1.773 118.227 120.300 -0.499 0.000 2.462 147 Y HA 0.211 4.761 4.550 -0.000 0.000 0.253 147 Y C 0.969 176.525 175.900 -0.573 0.000 1.095 147 Y CA -0.158 57.425 58.100 -0.862 0.000 1.283 147 Y CB 0.549 37.969 38.460 -1.733 0.000 1.138 147 Y HN -0.009 nan 8.280 nan 0.000 0.522 148 F N -2.733 117.397 119.950 0.300 0.000 2.711 148 F HA 0.171 4.698 4.527 -0.000 0.000 0.296 148 F C 0.620 176.768 175.800 0.580 0.000 1.096 148 F CA -0.751 57.504 58.000 0.425 0.000 1.280 148 F CB 0.223 39.319 39.000 0.159 0.000 1.060 148 F HN -0.034 nan 8.300 nan 0.000 0.608 149 W N 2.274 123.879 121.300 0.509 0.000 2.335 149 W HA 0.497 5.157 4.660 -0.000 0.000 0.307 149 W C -0.467 176.219 176.519 0.278 0.000 1.117 149 W CA -0.750 56.868 57.345 0.455 0.000 1.228 149 W CB 1.455 31.168 29.460 0.423 0.000 1.240 149 W HN -0.249 nan 8.180 nan 0.000 0.468 150 S N 4.291 119.641 115.700 -0.584 0.000 2.411 150 S HA 0.034 4.504 4.470 -0.000 0.000 0.294 150 S C 0.840 174.937 174.600 -0.837 0.000 1.115 150 S CA -0.147 57.758 58.200 -0.490 0.000 1.071 150 S CB 1.217 64.283 63.200 -0.224 0.000 0.967 150 S HN 0.631 nan 8.310 nan 0.000 0.488 151 E N 3.335 123.274 120.200 -0.434 0.000 2.106 151 E HA -0.127 4.223 4.350 -0.000 0.000 0.192 151 E C 2.048 178.552 176.600 -0.161 0.000 0.984 151 E CA 1.579 57.855 56.400 -0.205 0.000 0.806 151 E CB 0.029 29.727 29.700 -0.003 0.000 0.750 151 E HN 0.855 nan 8.360 nan 0.000 0.458 152 E N 0.580 120.698 120.200 -0.137 0.000 2.028 152 E HA -0.213 4.137 4.350 -0.000 0.000 0.191 152 E C 1.754 178.289 176.600 -0.109 0.000 0.988 152 E CA 1.289 57.638 56.400 -0.084 0.000 0.799 152 E CB -0.544 29.130 29.700 -0.044 0.000 0.755 152 E HN 0.375 nan 8.360 nan 0.000 0.447 153 E N 0.350 120.459 120.200 -0.150 0.000 2.208 153 E HA -0.068 4.282 4.350 -0.000 0.000 0.193 153 E C 0.178 176.603 176.600 -0.291 0.000 0.988 153 E CA 0.199 56.512 56.400 -0.144 0.000 0.828 153 E CB 0.129 29.813 29.700 -0.027 0.000 0.763 153 E HN 0.156 nan 8.360 nan 0.000 0.478 157 L N 1.187 122.781 121.223 0.618 0.000 2.543 157 L HA 0.403 4.743 4.340 -0.000 0.000 0.231 157 L C 1.382 178.599 176.870 0.580 0.000 1.194 157 L CA 0.103 55.248 54.840 0.509 0.000 0.823 157 L CB 0.418 42.770 42.059 0.489 0.000 1.374 157 L HN 0.905 nan 8.230 nan 0.000 0.507 158 E N -0.232 120.241 120.200 0.454 0.000 2.207 158 E HA 0.066 4.416 4.350 -0.000 0.000 0.197 158 E C -0.273 176.659 176.600 0.554 0.000 0.914 158 E CA 0.538 57.233 56.400 0.493 0.000 0.914 158 E CB 0.600 30.574 29.700 0.456 0.000 0.893 158 E HN 0.645 nan 8.360 nan 0.000 0.479 159 S N -2.151 113.816 115.700 0.444 0.000 2.587 159 S HA 0.631 5.101 4.470 -0.000 0.000 0.269 159 S C -1.584 173.159 174.600 0.238 0.000 1.154 159 S CA -1.097 57.395 58.200 0.486 0.000 0.824 159 S CB 0.469 63.889 63.200 0.366 0.000 1.118 159 S HN 0.175 nan 8.310 nan 0.000 0.462 160 W N 1.071 122.475 121.300 0.173 0.000 3.031 160 W HA 0.531 5.191 4.660 -0.000 0.000 0.337 160 W C -0.303 176.149 176.519 -0.111 0.000 1.187 160 W CA -0.379 56.965 57.345 -0.001 0.000 1.166 160 W CB 0.982 30.400 29.460 -0.071 0.000 1.437 160 W HN 0.886 nan 8.180 nan 0.000 0.551 161 D N 0.096 120.546 120.400 0.083 0.000 2.414 161 D HA -0.003 4.637 4.640 -0.000 0.000 0.251 161 D C 0.862 177.016 176.300 -0.244 0.000 1.252 161 D CA -0.144 53.831 54.000 -0.041 0.000 0.999 161 D CB 0.644 41.418 40.800 -0.043 0.000 1.093 161 D HN 0.649 nan 8.370 nan 0.000 0.515 162 E N -0.096 119.975 120.200 -0.215 0.000 2.033 162 E HA -0.248 4.102 4.350 -0.000 0.000 0.199 162 E C 1.798 178.021 176.600 -0.628 0.000 1.011 162 E CA 1.610 57.838 56.400 -0.286 0.000 0.815 162 E CB -0.344 29.321 29.700 -0.058 0.000 0.755 162 E HN 0.576 nan 8.360 nan 0.000 0.451 163 A N -0.400 122.011 122.820 -0.681 0.000 2.235 163 A HA 0.022 4.342 4.320 -0.000 0.000 0.208 163 A C 0.128 177.491 177.584 -0.367 0.000 1.172 163 A CA 0.353 51.825 52.037 -0.941 0.000 0.786 163 A CB -0.654 17.707 19.000 -1.065 0.000 0.804 163 A HN 0.520 nan 8.150 nan 0.000 0.479 164 F N -0.956 118.834 119.950 -0.267 0.000 3.091 164 F HA -0.293 4.234 4.527 -0.000 0.000 0.288 164 F C 1.837 177.719 175.800 0.137 0.000 0.907 164 F CA 0.704 58.564 58.000 -0.233 0.000 1.028 164 F CB -2.476 35.867 39.000 -1.095 0.000 1.022 164 F HN 0.403 nan 8.300 nan 0.000 0.665 165 S N -1.168 114.671 115.700 0.231 0.000 2.387 165 S HA -0.019 4.451 4.470 -0.000 0.000 0.226 165 S C 0.730 175.493 174.600 0.271 0.000 1.026 165 S CA 1.175 59.494 58.200 0.199 0.000 0.972 165 S CB 0.383 63.617 63.200 0.057 0.000 0.814 165 S HN 0.662 nan 8.310 nan 0.000 0.477 166 Q N -0.192 119.739 119.800 0.219 0.000 2.353 166 Q HA 0.449 4.789 4.340 -0.000 0.000 0.275 166 Q C -1.332 174.447 176.000 -0.368 0.000 1.029 166 Q CA -0.492 55.286 55.803 -0.042 0.000 0.848 166 Q CB 2.008 30.724 28.738 -0.038 0.000 1.390 166 Q HN 0.205 nan 8.270 nan 0.000 0.401 167 T N 1.288 115.321 114.554 -0.868 0.000 2.922 167 T HA 0.221 4.571 4.350 -0.000 0.000 0.285 167 T C -0.565 173.874 174.700 -0.435 0.000 1.005 167 T CA -0.375 61.074 62.100 -1.085 0.000 1.061 167 T CB 1.109 69.083 68.868 -1.490 0.000 1.007 167 T HN 0.656 nan 8.240 nan 0.000 0.502 168 E N 2.039 122.084 120.200 -0.259 0.000 2.376 168 E HA -0.001 4.349 4.350 -0.000 0.000 0.266 168 E C -0.383 176.205 176.600 -0.021 0.000 1.009 168 E CA -0.241 56.127 56.400 -0.054 0.000 0.902 168 E CB 0.479 30.224 29.700 0.074 0.000 0.972 168 E HN 0.596 nan 8.360 nan 0.000 0.439 169 D N 4.408 124.817 120.400 0.014 0.000 2.885 169 D HA 0.002 4.642 4.640 -0.000 0.000 0.234 169 D C -1.550 174.813 176.300 0.105 0.000 1.129 169 D CA 0.372 54.383 54.000 0.019 0.000 0.991 169 D CB -0.538 40.274 40.800 0.020 0.000 1.137 169 D HN 0.332 nan 8.370 nan 0.000 0.459 170 Y N -0.031 120.224 120.300 -0.074 0.000 2.581 170 Y HA 0.523 5.073 4.550 -0.000 0.000 0.337 170 Y C -1.553 174.249 175.900 -0.162 0.000 1.108 170 Y CA -1.129 56.921 58.100 -0.083 0.000 1.033 170 Y CB 1.252 39.709 38.460 -0.005 0.000 1.318 170 Y HN -0.182 nan 8.280 nan 0.000 0.459 171 R N 3.196 123.117 120.500 -0.964 0.000 2.515 171 R HA 0.590 4.930 4.340 -0.000 0.000 0.291 171 R C -0.968 174.788 176.300 -0.906 0.000 1.046 171 R CA -0.733 54.828 56.100 -0.899 0.000 0.914 171 R CB 1.644 30.920 30.300 -1.707 0.000 1.191 171 R HN 0.927 nan 8.270 nan 0.000 0.435 172 G N -0.335 108.290 108.800 -0.292 0.000 2.448 172 G HA2 0.455 4.415 3.960 -0.000 0.000 0.324 172 G HA3 0.455 4.415 3.960 -0.000 0.000 0.324 172 G C 0.700 175.708 174.900 0.179 0.000 1.203 172 G CA -0.473 44.638 45.100 0.019 0.000 0.954 172 G HN 0.490 nan 8.290 nan 0.000 0.480 173 G N 0.237 109.174 108.800 0.229 0.000 2.443 173 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.219 173 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.219 173 G C 1.409 176.454 174.900 0.241 0.000 1.131 173 G CA 0.933 46.214 45.100 0.301 0.000 0.775 173 G HN 0.613 nan 8.290 nan 0.000 0.547 174 N N 1.155 119.899 118.700 0.073 0.000 2.062 174 N HA -0.102 4.638 4.740 -0.000 0.000 0.191 174 N C 2.598 178.082 175.510 -0.043 0.000 1.042 174 N CA 1.350 54.320 53.050 -0.134 0.000 0.845 174 N CB -0.200 38.213 38.487 -0.123 0.000 1.024 174 N HN 0.201 nan 8.380 nan 0.000 0.424 175 A N 0.896 123.815 122.820 0.165 0.000 1.908 175 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 175 A C 1.218 178.793 177.584 -0.015 0.000 1.181 175 A CA 1.120 53.325 52.037 0.281 0.000 0.627 175 A CB -0.706 18.575 19.000 0.468 0.000 0.818 175 A HN 0.469 nan 8.150 nan 0.000 0.445 179 A N 0.810 123.038 122.820 -0.987 0.000 1.878 179 A HA 0.062 4.382 4.320 -0.000 0.000 0.213 179 A C 2.248 179.090 177.584 -1.236 0.000 1.192 179 A CA 1.436 52.503 52.037 -1.617 0.000 0.619 179 A CB -0.459 17.297 19.000 -2.072 0.000 0.837 179 A HN 0.056 nan 8.150 nan 0.000 0.446 180 V N 0.523 119.953 119.914 -0.808 0.000 2.332 180 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 180 V C 2.543 178.479 176.094 -0.262 0.000 1.055 180 V CA 2.406 64.450 62.300 -0.427 0.000 1.038 180 V CB -0.755 30.864 31.823 -0.339 0.000 0.651 180 V HN 0.781 nan 8.190 nan 0.000 0.450 181 E N 0.427 120.430 120.200 -0.329 0.000 2.038 181 E HA -0.268 4.082 4.350 -0.000 0.000 0.195 181 E C 2.237 178.777 176.600 -0.100 0.000 1.000 181 E CA 1.695 57.981 56.400 -0.189 0.000 0.803 181 E CB -0.264 29.332 29.700 -0.174 0.000 0.750 181 E HN 0.539 nan 8.360 nan 0.000 0.448 182 A N 0.497 123.246 122.820 -0.117 0.000 1.902 182 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 182 A C 1.960 179.644 177.584 0.166 0.000 1.181 182 A CA 1.210 53.258 52.037 0.018 0.000 0.623 182 A CB -0.802 18.243 19.000 0.075 0.000 0.818 182 A HN 0.361 nan 8.150 nan 0.000 0.443 183 F N 0.033 119.949 119.950 -0.056 0.000 2.161 183 F HA -0.145 4.382 4.527 -0.000 0.000 0.300 183 F C 2.108 177.920 175.800 0.020 0.000 1.089 183 F CA 0.735 58.738 58.000 0.004 0.000 1.282 183 F CB -1.183 37.862 39.000 0.075 0.000 1.010 183 F HN 0.108 nan 8.300 nan 0.000 0.485 184 L N -0.702 120.641 121.223 0.199 0.000 2.046 184 L HA -0.249 4.091 4.340 -0.000 0.000 0.208 184 L C 2.384 179.344 176.870 0.151 0.000 1.077 184 L CA 0.740 55.668 54.840 0.147 0.000 0.747 184 L CB -0.523 41.569 42.059 0.055 0.000 0.896 184 L HN 0.028 nan 8.230 nan 0.000 0.432 185 I N -1.142 119.466 120.570 0.062 0.000 2.286 185 I HA -0.166 4.004 4.170 -0.000 0.000 0.245 185 I C 2.546 178.632 176.117 -0.051 0.000 1.104 185 I CA 1.058 62.368 61.300 0.016 0.000 1.397 185 I CB -1.108 36.896 38.000 0.007 0.000 1.072 185 I HN 0.035 nan 8.210 nan 0.000 0.417 186 V N 0.820 120.652 119.914 -0.137 0.000 2.332 186 V HA -0.325 3.795 4.120 -0.000 0.000 0.248 186 V C 2.501 178.423 176.094 -0.287 0.000 1.055 186 V CA 1.974 64.040 62.300 -0.390 0.000 1.038 186 V CB -1.097 30.160 31.823 -0.944 0.000 0.651 186 V HN 0.387 nan 8.190 nan 0.000 0.450 187 Y N 1.551 121.742 120.300 -0.182 0.000 2.181 187 Y HA -0.222 4.328 4.550 -0.000 0.000 0.288 187 Y C 2.282 178.196 175.900 0.024 0.000 1.146 187 Y CA 1.920 60.032 58.100 0.020 0.000 1.164 187 Y CB -0.375 38.155 38.460 0.118 0.000 0.982 187 Y HN 0.318 nan 8.280 nan 0.000 0.515 188 D N -0.201 120.132 120.400 -0.112 0.000 2.219 188 D HA -0.110 4.530 4.640 -0.000 0.000 0.205 188 D C 1.778 177.845 176.300 -0.387 0.000 0.970 188 D CA 1.729 55.579 54.000 -0.250 0.000 0.851 188 D CB -0.148 40.619 40.800 -0.055 0.000 0.943 188 D HN 0.443 nan 8.370 nan 0.000 0.488 189 V N -1.660 118.089 119.914 -0.274 0.000 3.271 189 V HA 0.287 4.407 4.120 -0.000 0.000 0.327 189 V C 1.204 177.168 176.094 -0.216 0.000 1.389 189 V CA 0.801 62.955 62.300 -0.244 0.000 1.156 189 V CB 0.126 31.861 31.823 -0.148 0.000 1.103 189 V HN 0.122 nan 8.190 nan 0.000 0.453 190 T N -5.090 109.327 114.554 -0.229 0.000 3.074 190 T HA 0.185 4.535 4.350 -0.000 0.000 0.258 190 T C 0.744 175.433 174.700 -0.018 0.000 0.891 190 T CA 0.750 62.800 62.100 -0.084 0.000 0.867 190 T CB -0.624 68.252 68.868 0.013 0.000 1.261 190 T HN 0.470 nan 8.240 nan 0.000 0.537 191 H N 1.778 120.704 119.070 -0.240 0.000 2.690 191 H HA -0.132 4.424 4.556 -0.000 0.000 0.309 191 H C -0.710 174.586 175.328 -0.054 0.000 1.138 191 H CA 0.493 56.337 56.048 -0.340 0.000 1.142 191 H CB -0.805 28.825 29.762 -0.221 0.000 1.410 191 H HN 0.459 nan 8.280 nan 0.000 0.409 192 D N 0.503 121.044 120.400 0.235 0.000 2.198 192 D HA 0.099 4.739 4.640 -0.000 0.000 0.245 192 D C 1.101 177.625 176.300 0.374 0.000 1.079 192 D CA -0.351 53.814 54.000 0.275 0.000 0.854 192 D CB 1.223 42.204 40.800 0.301 0.000 1.148 192 D HN 0.310 nan 8.370 nan 0.000 0.456 193 K N 3.604 124.136 120.400 0.220 0.000 2.103 193 K HA -0.206 4.114 4.320 -0.000 0.000 0.207 193 K C 1.819 178.434 176.600 0.024 0.000 1.048 193 K CA 1.511 57.888 56.287 0.150 0.000 0.930 193 K CB 0.112 32.650 32.500 0.063 0.000 0.716 193 K HN 0.485 nan 8.250 nan 0.000 0.444 194 K N -0.467 119.877 120.400 -0.094 0.000 2.044 194 K HA -0.198 4.122 4.320 -0.000 0.000 0.210 194 K C 1.796 178.168 176.600 -0.380 0.000 1.049 194 K CA 1.950 58.057 56.287 -0.300 0.000 0.927 194 K CB -0.853 31.346 32.500 -0.502 0.000 0.713 194 K HN 0.245 nan 8.250 nan 0.000 0.443 195 W N 0.880 122.051 121.300 -0.214 0.000 2.364 195 W HA -0.109 4.551 4.660 0.000 0.000 0.281 195 W C 2.062 178.457 176.519 -0.206 0.000 1.219 195 W CA 0.099 57.237 57.345 -0.344 0.000 1.220 195 W CB -0.260 29.073 29.460 -0.212 0.000 1.127 195 W HN 0.170 nan 8.180 nan 0.000 0.556 196 L N 0.002 121.225 121.223 0.000 0.000 2.307 196 L HA -0.015 4.325 4.340 -0.000 0.000 0.211 196 L C 1.656 178.466 176.870 -0.099 0.000 1.099 196 L CA 1.767 56.510 54.840 -0.161 0.000 0.816 196 L CB -0.672 41.067 42.059 -0.535 0.000 0.952 196 L HN -0.199 nan 8.230 nan 0.000 0.455 197 D N -0.356 119.985 120.400 -0.098 0.000 2.144 197 D HA -0.123 4.517 4.640 -0.000 0.000 0.200 197 D C 2.195 178.476 176.300 -0.032 0.000 0.978 197 D CA 0.936 54.899 54.000 -0.062 0.000 0.833 197 D CB 0.022 40.779 40.800 -0.072 0.000 0.961 197 D HN 0.332 nan 8.370 nan 0.000 0.470 198 R N 0.726 121.157 120.500 -0.115 0.000 2.115 198 R HA 0.034 4.374 4.340 -0.000 0.000 0.230 198 R C 2.254 178.627 176.300 0.121 0.000 1.111 198 R CA 0.971 56.994 56.100 -0.129 0.000 0.976 198 R CB -0.129 29.792 30.300 -0.631 0.000 0.870 198 R HN 0.074 nan 8.270 nan 0.000 0.445 199 A N 1.471 124.389 122.820 0.163 0.000 1.845 199 A HA -0.131 4.189 4.320 -0.000 0.000 0.215 199 A C 2.157 179.828 177.584 0.144 0.000 1.195 199 A CA 1.023 53.163 52.037 0.171 0.000 0.616 199 A CB -0.662 18.412 19.000 0.124 0.000 0.832 199 A HN 0.176 nan 8.150 nan 0.000 0.443 200 L N -0.882 120.405 121.223 0.106 0.000 2.043 200 L HA -0.260 4.080 4.340 -0.000 0.000 0.212 200 L C 2.855 179.867 176.870 0.237 0.000 1.075 200 L CA 2.037 56.974 54.840 0.161 0.000 0.752 200 L CB -0.454 41.664 42.059 0.099 0.000 0.891 200 L HN 0.513 nan 8.230 nan 0.000 0.432 201 R N 0.843 121.444 120.500 0.169 0.000 2.080 201 R HA -0.196 4.144 4.340 -0.000 0.000 0.236 201 R C 2.073 178.437 176.300 0.108 0.000 1.137 201 R CA 1.858 58.043 56.100 0.141 0.000 0.943 201 R CB -0.754 29.652 30.300 0.177 0.000 0.846 201 R HN 0.162 nan 8.270 nan 0.000 0.431 202 I N 0.981 121.641 120.570 0.151 0.000 2.151 202 I HA -0.271 3.899 4.170 -0.000 0.000 0.243 202 I C 2.307 178.480 176.117 0.092 0.000 1.080 202 I CA 1.906 63.260 61.300 0.091 0.000 1.339 202 I CB -1.560 36.527 38.000 0.145 0.000 1.039 202 I HN 0.410 nan 8.210 nan 0.000 0.409 203 A N 0.970 123.929 122.820 0.232 0.000 1.898 203 A HA -0.181 4.139 4.320 -0.000 0.000 0.216 203 A C 2.504 180.203 177.584 0.191 0.000 1.181 203 A CA 2.114 54.333 52.037 0.303 0.000 0.620 203 A CB -0.823 18.453 19.000 0.460 0.000 0.819 203 A HN 0.575 nan 8.150 nan 0.000 0.442 204 S N -0.378 115.421 115.700 0.164 0.000 2.400 204 S HA -0.123 4.347 4.470 -0.000 0.000 0.232 204 S C 1.692 176.152 174.600 -0.234 0.000 1.025 204 S CA 1.539 59.585 58.200 -0.257 0.000 0.993 204 S CB -0.806 62.275 63.200 -0.198 0.000 0.808 204 S HN 0.248 nan 8.310 nan 0.000 0.478 205 V N 2.057 121.866 119.914 -0.176 0.000 2.284 205 V HA 0.060 4.180 4.120 -0.000 0.000 0.236 205 V C 2.460 178.415 176.094 -0.231 0.000 1.044 205 V CA 1.405 63.571 62.300 -0.224 0.000 1.019 205 V CB -0.725 30.912 31.823 -0.309 0.000 0.657 205 V HN 0.422 nan 8.190 nan 0.000 0.465 206 I N -0.194 120.203 120.570 -0.289 0.000 2.335 206 I HA -0.229 3.941 4.170 -0.000 0.000 0.251 206 I C 2.042 177.916 176.117 -0.404 0.000 1.129 206 I CA 1.371 62.471 61.300 -0.335 0.000 1.402 206 I CB -0.144 37.555 38.000 -0.503 0.000 1.069 206 I HN 0.293 nan 8.210 nan 0.000 0.424 207 I N -0.789 119.566 120.570 -0.359 0.000 3.196 207 I HA -0.105 4.065 4.170 -0.000 0.000 0.248 207 I C 2.469 178.491 176.117 -0.158 0.000 1.105 207 I CA 1.145 62.293 61.300 -0.253 0.000 1.482 207 I CB -1.570 36.378 38.000 -0.086 0.000 1.400 207 I HN 0.124 nan 8.210 nan 0.000 0.464 208 H N 1.450 120.367 119.070 -0.255 0.000 2.421 208 H HA -0.129 4.427 4.556 -0.000 0.000 0.298 208 H C 1.674 176.780 175.328 -0.371 0.000 1.087 208 H CA 2.016 57.829 56.048 -0.392 0.000 1.330 208 H CB 0.215 29.386 29.762 -0.985 0.000 1.388 208 H HN 0.253 nan 8.280 nan 0.000 0.526 209 D N -1.063 119.134 120.400 -0.338 0.000 2.306 209 D HA -0.075 4.565 4.640 -0.000 0.000 0.239 209 D C 2.407 178.529 176.300 -0.298 0.000 1.105 209 D CA 1.199 55.010 54.000 -0.315 0.000 0.950 209 D CB -0.375 40.296 40.800 -0.215 0.000 1.036 209 D HN 0.168 nan 8.370 nan 0.000 0.428 210 V N 2.125 121.906 119.914 -0.221 0.000 2.214 210 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 210 V C 2.582 178.492 176.094 -0.307 0.000 1.051 210 V CA 2.409 64.581 62.300 -0.212 0.000 1.003 210 V CB -1.126 30.651 31.823 -0.078 0.000 0.635 210 V HN 0.260 nan 8.190 nan 0.000 0.447 211 A N 0.061 122.686 122.820 -0.324 0.000 1.884 211 A HA -0.345 3.975 4.320 -0.000 0.000 0.219 211 A C 2.411 179.653 177.584 -0.570 0.000 1.197 211 A CA 2.648 54.447 52.037 -0.397 0.000 0.637 211 A CB -0.769 18.024 19.000 -0.344 0.000 0.827 211 A HN 0.513 nan 8.150 nan 0.000 0.450 212 R N -0.465 119.635 120.500 -0.666 0.000 2.127 212 R HA -0.142 4.198 4.340 -0.000 0.000 0.238 212 R C 1.125 177.001 176.300 -0.707 0.000 1.134 212 R CA 1.689 57.180 56.100 -1.015 0.000 0.975 212 R CB -0.252 29.619 30.300 -0.715 0.000 0.865 212 R HN 0.564 nan 8.270 nan 0.000 0.447 213 N N -0.733 117.674 118.700 -0.487 0.000 2.412 213 N HA -0.004 4.736 4.740 -0.000 0.000 0.184 213 N C 0.536 175.859 175.510 -0.312 0.000 1.101 213 N CA 0.892 53.731 53.050 -0.352 0.000 0.881 213 N CB 1.003 39.316 38.487 -0.290 0.000 0.969 213 N HN 0.277 nan 8.380 nan 0.000 0.459 214 G N 0.390 108.976 108.800 -0.357 0.000 4.291 214 G HA2 0.108 4.068 3.960 -0.000 0.000 0.304 214 G HA3 0.108 4.068 3.960 -0.000 0.000 0.304 214 G C -0.340 174.417 174.900 -0.238 0.000 1.264 214 G CA -0.342 44.581 45.100 -0.294 0.000 1.039 214 G HN -0.035 nan 8.290 nan 0.000 0.578 215 D N -0.489 119.781 120.400 -0.218 0.000 2.983 215 D HA -0.253 4.387 4.640 -0.000 0.000 0.225 215 D C 0.282 176.577 176.300 -0.008 0.000 1.174 215 D CA 1.209 55.163 54.000 -0.076 0.000 0.831 215 D CB -1.608 39.199 40.800 0.011 0.000 1.104 215 D HN 0.667 nan 8.370 nan 0.000 0.421 216 Y N -2.185 118.002 120.300 -0.188 0.000 4.272 216 Y HA -0.311 4.239 4.550 -0.000 0.000 0.232 216 Y C 0.779 176.309 175.900 -0.617 0.000 1.149 216 Y CA 0.859 58.800 58.100 -0.265 0.000 1.961 216 Y CB -1.453 36.956 38.460 -0.086 0.000 1.611 216 Y HN 0.168 nan 8.280 nan 0.000 0.682 217 R N 0.559 120.687 120.500 -0.620 0.000 2.229 217 R HA 0.499 4.839 4.340 -0.000 0.000 0.332 217 R C -0.254 175.572 176.300 -0.789 0.000 0.989 217 R CA -0.789 54.593 56.100 -1.197 0.000 0.842 217 R CB 1.408 31.484 30.300 -0.373 0.000 1.119 217 R HN -0.053 nan 8.270 nan 0.000 0.456 218 V N 4.020 123.255 119.914 -1.131 0.000 2.521 218 V HA -0.044 4.076 4.120 -0.000 0.000 0.286 218 V C 0.785 176.871 176.094 -0.014 0.000 1.034 218 V CA -0.186 61.851 62.300 -0.439 0.000 1.045 218 V CB 0.565 32.210 31.823 -0.297 0.000 0.974 218 V HN 0.673 nan 8.190 nan 0.000 0.480 219 N N 4.544 123.215 118.700 -0.048 0.000 2.430 219 N HA 0.080 4.820 4.740 -0.000 0.000 0.265 219 N C 0.704 176.234 175.510 0.034 0.000 1.100 219 N CA -0.241 52.799 53.050 -0.017 0.000 0.961 219 N CB 1.477 39.739 38.487 -0.375 0.000 1.075 219 N HN 0.642 nan 8.380 nan 0.000 0.478 220 E N 1.890 122.065 120.200 -0.042 0.000 2.075 220 E HA 0.015 4.365 4.350 -0.000 0.000 0.190 220 E C -0.178 176.293 176.600 -0.216 0.000 0.969 220 E CA 0.953 57.261 56.400 -0.152 0.000 0.815 220 E CB 0.071 29.504 29.700 -0.444 0.000 0.776 220 E HN 0.639 nan 8.360 nan 0.000 0.457 221 H N -0.339 118.695 119.070 -0.060 0.000 2.517 221 H HA 0.329 4.885 4.556 -0.000 0.000 0.317 221 H C -0.277 174.751 175.328 -0.499 0.000 1.080 221 H CA -0.083 55.792 56.048 -0.288 0.000 1.301 221 H CB 0.230 29.756 29.762 -0.394 0.000 1.425 221 H HN -0.122 nan 8.280 nan 0.000 0.471 222 F N 0.963 120.581 119.950 -0.553 0.000 2.654 222 F HA 0.172 4.699 4.527 -0.000 0.000 0.334 222 F C 0.600 176.088 175.800 -0.519 0.000 1.078 222 F CA -1.039 56.678 58.000 -0.470 0.000 0.986 222 F CB 1.238 39.885 39.000 -0.588 0.000 1.362 222 F HN 0.487 nan 8.300 nan 0.000 0.498 223 D N -1.063 119.242 120.400 -0.158 0.000 2.440 223 D HA 0.187 4.827 4.640 -0.000 0.000 0.258 223 D C 0.409 176.538 176.300 -0.285 0.000 1.092 223 D CA -0.476 53.431 54.000 -0.155 0.000 1.016 223 D CB 1.417 42.187 40.800 -0.050 0.000 1.141 223 D HN 0.335 nan 8.370 nan 0.000 0.552 224 S N -0.742 114.843 115.700 -0.192 0.000 2.528 224 S HA -0.129 4.340 4.470 -0.000 0.000 0.244 224 S C 0.927 175.441 174.600 -0.145 0.000 0.982 224 S CA 0.911 58.992 58.200 -0.199 0.000 0.953 224 S CB -0.187 62.956 63.200 -0.095 0.000 0.754 224 S HN 0.425 nan 8.310 nan 0.000 0.529 225 Q N -1.237 118.510 119.800 -0.088 0.000 2.172 225 Q HA 0.170 4.510 4.340 -0.000 0.000 0.217 225 Q C -0.493 175.604 176.000 0.161 0.000 0.832 225 Q CA -0.278 55.553 55.803 0.045 0.000 1.010 225 Q CB -0.606 28.157 28.738 0.041 0.000 1.133 225 Q HN 0.594 nan 8.270 nan 0.000 0.489 226 W N 1.606 122.921 121.300 0.025 0.000 5.538 226 W HA -0.228 4.432 4.660 -0.000 0.000 0.377 226 W C -0.430 176.223 176.519 0.223 0.000 1.406 226 W CA 0.236 57.627 57.345 0.077 0.000 0.940 226 W CB -1.973 27.444 29.460 -0.071 0.000 2.536 226 W HN 0.086 nan 8.180 nan 0.000 1.504 227 N N 0.774 119.616 118.700 0.238 0.000 2.438 227 N HA 0.321 5.061 4.740 -0.000 0.000 0.282 227 N C -2.339 173.171 175.510 0.001 0.000 1.037 227 N CA -1.596 51.530 53.050 0.126 0.000 0.942 227 N CB 1.068 39.576 38.487 0.036 0.000 1.136 227 N HN -0.313 nan 8.380 nan 0.000 0.481 228 P HA 0.108 nan 4.420 nan 0.000 0.267 228 P C -0.152 176.965 177.300 -0.306 0.000 1.209 228 P CA 0.079 62.864 63.100 -0.525 0.000 0.763 228 P CB 0.475 31.886 31.700 -0.482 0.000 0.816 229 I N 4.726 125.137 120.570 -0.266 0.000 2.517 229 I HA 0.155 4.325 4.170 -0.000 0.000 0.289 229 I C 1.593 177.776 176.117 0.110 0.000 1.149 229 I CA -0.281 61.009 61.300 -0.017 0.000 1.189 229 I CB -0.200 37.871 38.000 0.119 0.000 1.641 229 I HN 0.324 nan 8.210 nan 0.000 0.560 230 R N 1.167 121.671 120.500 0.006 0.000 2.133 230 R HA -0.203 4.137 4.340 -0.000 0.000 0.247 230 R C 1.145 177.771 176.300 0.544 0.000 1.151 230 R CA 1.249 57.444 56.100 0.157 0.000 0.971 230 R CB -0.134 30.017 30.300 -0.249 0.000 0.866 230 R HN 0.488 nan 8.270 nan 0.000 0.447 231 D N -0.148 120.465 120.400 0.356 0.000 2.363 231 D HA -0.085 4.555 4.640 -0.000 0.000 0.226 231 D C -0.257 176.238 176.300 0.324 0.000 1.020 231 D CA -0.148 54.064 54.000 0.352 0.000 0.892 231 D CB -0.039 40.864 40.800 0.170 0.000 0.900 231 D HN 0.081 nan 8.370 nan 0.000 0.531 232 Y N 1.812 122.253 120.300 0.235 0.000 2.721 232 Y HA -0.141 4.409 4.550 -0.000 0.000 0.329 232 Y C 1.100 177.042 175.900 0.069 0.000 1.211 232 Y CA 0.431 58.581 58.100 0.083 0.000 1.512 232 Y CB 0.074 38.512 38.460 -0.036 0.000 1.249 232 Y HN -0.010 nan 8.280 nan 0.000 0.549 233 N N 2.762 121.264 118.700 -0.330 0.000 2.778 233 N HA -0.323 4.417 4.740 -0.000 0.000 0.249 233 N C 1.214 176.640 175.510 -0.139 0.000 1.069 233 N CA 1.430 54.349 53.050 -0.218 0.000 0.831 233 N CB -0.764 37.681 38.487 -0.070 0.000 1.142 233 N HN 0.792 nan 8.380 nan 0.000 0.573 234 K N 0.343 120.637 120.400 -0.177 0.000 2.281 234 K HA -0.118 4.202 4.320 -0.000 0.000 0.203 234 K C 0.926 177.279 176.600 -0.411 0.000 1.046 234 K CA 1.463 57.411 56.287 -0.565 0.000 0.938 234 K CB 0.190 32.448 32.500 -0.403 0.000 0.737 234 K HN 0.231 nan 8.250 nan 0.000 0.458 235 D N 0.345 120.585 120.400 -0.266 0.000 2.154 235 D HA -0.072 4.568 4.640 -0.000 0.000 0.211 235 D C 0.261 176.421 176.300 -0.234 0.000 0.977 235 D CA 0.502 54.374 54.000 -0.214 0.000 0.869 235 D CB -0.538 40.164 40.800 -0.163 0.000 1.022 235 D HN 0.243 nan 8.370 nan 0.000 0.461 236 N N 2.068 120.600 118.700 -0.280 0.000 2.283 236 N HA -0.021 4.719 4.740 -0.000 0.000 0.236 236 N C -2.205 173.013 175.510 -0.487 0.000 1.252 236 N CA -0.730 52.042 53.050 -0.463 0.000 0.856 236 N CB 0.425 38.500 38.487 -0.687 0.000 1.099 236 N HN -0.020 nan 8.380 nan 0.000 0.444 237 P HA -0.052 nan 4.420 nan 0.000 0.300 237 P C -0.228 177.024 177.300 -0.080 0.000 1.294 237 P CA -0.111 62.883 63.100 -0.176 0.000 0.757 237 P CB 0.252 31.978 31.700 0.044 0.000 1.377 238 A N -1.183 121.694 122.820 0.096 0.000 2.150 238 A HA -0.087 4.233 4.320 -0.000 0.000 0.220 238 A C 0.129 177.873 177.584 0.268 0.000 1.356 238 A CA 0.349 52.481 52.037 0.159 0.000 1.145 238 A CB -2.023 17.053 19.000 0.127 0.000 0.826 238 A HN 0.477 nan 8.150 nan 0.000 0.524 239 H N 0.390 119.537 119.070 0.129 0.000 3.216 239 H HA -0.031 4.525 4.556 -0.000 0.000 0.283 239 H C 1.219 176.677 175.328 0.218 0.000 0.921 239 H CA -0.263 55.882 56.048 0.162 0.000 1.419 239 H CB 0.584 30.442 29.762 0.160 0.000 1.460 239 H HN 0.456 nan 8.280 nan 0.000 0.553 240 R N 2.457 123.149 120.500 0.321 0.000 2.081 240 R HA -0.126 4.214 4.340 -0.000 0.000 0.235 240 R C 0.638 177.194 176.300 0.426 0.000 1.131 240 R CA 0.707 57.009 56.100 0.336 0.000 0.960 240 R CB -0.089 30.335 30.300 0.206 0.000 0.856 240 R HN 0.382 nan 8.270 nan 0.000 0.436 241 F N 2.812 122.902 119.950 0.233 0.000 2.518 241 F HA -0.010 4.517 4.527 -0.000 0.000 0.375 241 F C 0.363 176.334 175.800 0.285 0.000 1.097 241 F CA 0.056 58.190 58.000 0.223 0.000 1.108 241 F CB -0.268 38.828 39.000 0.160 0.000 1.078 241 F HN 0.070 nan 8.300 nan 0.000 0.564 242 R N 3.047 123.526 120.500 -0.034 0.000 3.336 242 R HA -0.186 4.154 4.340 -0.000 0.000 0.260 242 R C 0.105 176.586 176.300 0.302 0.000 1.032 242 R CA 0.343 56.506 56.100 0.104 0.000 0.693 242 R CB -1.935 28.186 30.300 -0.298 0.000 1.134 242 R HN 0.729 nan 8.270 nan 0.000 0.433 243 A N 0.962 123.995 122.820 0.356 0.000 2.565 243 A HA 0.040 4.360 4.320 -0.000 0.000 0.237 243 A C 0.254 178.055 177.584 0.362 0.000 1.053 243 A CA 0.129 52.368 52.037 0.337 0.000 0.755 243 A CB 0.057 19.258 19.000 0.336 0.000 0.980 243 A HN 0.364 nan 8.150 nan 0.000 0.506 244 Y N 2.636 123.035 120.300 0.166 0.000 2.683 244 Y HA 0.370 4.920 4.550 -0.000 0.000 0.340 244 Y C 1.033 176.941 175.900 0.012 0.000 1.245 244 Y CA 1.194 59.369 58.100 0.124 0.000 1.485 244 Y CB -0.016 38.457 38.460 0.021 0.000 1.328 244 Y HN 1.928 nan 8.280 nan 0.000 0.603 245 G N 2.835 111.005 108.800 -1.049 0.000 2.542 245 G HA2 0.074 4.034 3.960 -0.000 0.000 0.235 245 G HA3 0.074 4.034 3.960 -0.000 0.000 0.235 245 G C -0.178 174.206 174.900 -0.860 0.000 1.286 245 G CA -0.414 43.804 45.100 -1.469 0.000 0.904 245 G HN 1.557 nan 8.290 nan 0.000 0.577 246 G N -0.991 107.394 108.800 -0.690 0.000 2.415 246 G HA2 0.689 4.649 3.960 -0.000 0.000 0.327 246 G HA3 0.689 4.649 3.960 -0.000 0.000 0.327 246 G C -0.130 174.719 174.900 -0.085 0.000 1.182 246 G CA 1.023 46.104 45.100 -0.031 0.000 0.924 246 G HN 1.537 nan 8.290 nan 0.000 0.470 247 T N 2.769 117.281 114.554 -0.069 0.000 2.947 247 T HA 0.470 4.820 4.350 -0.000 0.000 0.337 247 T C -1.254 172.915 174.700 -0.885 0.000 1.139 247 T CA -1.683 60.115 62.100 -0.504 0.000 0.992 247 T CB 1.434 70.028 68.868 -0.458 0.000 1.043 247 T HN 0.149 nan 8.240 nan 0.000 0.498 248 P HA -0.121 nan 4.420 nan 0.000 0.218 248 P C 1.719 178.452 177.300 -0.945 0.000 1.154 248 P CA 1.473 63.464 63.100 -1.849 0.000 0.872 248 P CB -0.083 30.830 31.700 -1.312 0.000 0.790 249 G N -0.845 107.455 108.800 -0.834 0.000 2.505 249 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.220 249 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.220 249 G C 1.418 176.317 174.900 -0.003 0.000 1.145 249 G CA 1.060 45.780 45.100 -0.634 0.000 0.761 249 G HN 0.332 nan 8.290 nan 0.000 0.571 250 H N -0.466 118.717 119.070 0.189 0.000 2.389 250 H HA -0.050 4.506 4.556 -0.000 0.000 0.299 250 H C 2.399 178.065 175.328 0.564 0.000 1.081 250 H CA 1.159 57.447 56.048 0.399 0.000 1.345 250 H CB -0.303 29.726 29.762 0.443 0.000 1.393 250 H HN 0.514 nan 8.280 nan 0.000 0.520 251 W N 0.802 122.300 121.300 0.330 0.000 2.335 251 W HA -0.087 4.573 4.660 0.000 0.000 0.311 251 W C 2.616 179.276 176.519 0.234 0.000 1.213 251 W CA 0.114 57.622 57.345 0.271 0.000 1.274 251 W CB -1.486 28.045 29.460 0.119 0.000 1.148 251 W HN 0.124 nan 8.180 nan 0.000 0.498 252 I N 0.292 121.040 120.570 0.297 0.000 2.394 252 I HA -0.258 3.912 4.170 -0.000 0.000 0.251 252 I C 2.479 178.719 176.117 0.204 0.000 1.136 252 I CA 1.646 63.047 61.300 0.168 0.000 1.425 252 I CB -0.279 37.653 38.000 -0.113 0.000 1.079 252 I HN -0.003 nan 8.210 nan 0.000 0.425 253 E N -0.078 120.258 120.200 0.226 0.000 2.051 253 E HA -0.273 4.077 4.350 -0.000 0.000 0.192 253 E C 1.995 178.671 176.600 0.127 0.000 0.991 253 E CA 1.670 58.166 56.400 0.160 0.000 0.799 253 E CB -0.241 29.564 29.700 0.176 0.000 0.748 253 E HN 0.542 nan 8.360 nan 0.000 0.449 254 W N 0.419 121.798 121.300 0.131 0.000 2.342 254 W HA -0.105 4.555 4.660 -0.000 0.000 0.297 254 W C 2.315 178.886 176.519 0.086 0.000 1.213 254 W CA 1.345 58.747 57.345 0.096 0.000 1.251 254 W CB -0.708 28.829 29.460 0.128 0.000 1.136 254 W HN 0.229 nan 8.180 nan 0.000 0.526 255 G N 0.065 109.069 108.800 0.339 0.000 2.491 255 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.218 255 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.218 255 G C 1.499 176.447 174.900 0.080 0.000 1.180 255 G CA 1.345 46.567 45.100 0.203 0.000 0.774 255 G HN 0.246 nan 8.290 nan 0.000 0.562 256 R N -0.236 120.294 120.500 0.050 0.000 2.073 256 R HA 0.092 4.432 4.340 -0.000 0.000 0.234 256 R C 1.403 177.651 176.300 -0.087 0.000 1.134 256 R CA 0.161 56.215 56.100 -0.076 0.000 0.952 256 R CB -0.480 29.794 30.300 -0.044 0.000 0.850 256 R HN 0.318 nan 8.270 nan 0.000 0.433 260 H N 0.897 119.955 119.070 -0.021 0.000 2.389 260 H HA 0.017 4.573 4.556 -0.000 0.000 0.299 260 H C 2.133 177.460 175.328 -0.001 0.000 1.081 260 H CA 1.731 57.779 56.048 -0.000 0.000 1.345 260 H CB 0.442 30.206 29.762 0.003 0.000 1.393 260 H HN 0.237 nan 8.280 nan 0.000 0.520 261 L N 0.098 121.380 121.223 0.099 0.000 2.056 261 L HA -0.210 4.130 4.340 -0.000 0.000 0.207 261 L C 2.630 179.478 176.870 -0.038 0.000 1.078 261 L CA 1.368 56.208 54.840 -0.001 0.000 0.749 261 L CB -0.245 41.794 42.059 -0.033 0.000 0.901 261 L HN 0.286 nan 8.230 nan 0.000 0.433 262 H N -0.590 118.399 119.070 -0.134 0.000 2.290 262 H HA -0.205 4.351 4.556 -0.000 0.000 0.298 262 H C 2.118 177.373 175.328 -0.122 0.000 1.087 262 H CA 1.972 57.921 56.048 -0.166 0.000 1.291 262 H CB 0.002 29.654 29.762 -0.184 0.000 1.369 262 H HN 0.414 nan 8.280 nan 0.000 0.492 263 A N 1.008 123.909 122.820 0.136 0.000 1.908 263 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 263 A C 2.631 180.220 177.584 0.009 0.000 1.181 263 A CA 1.791 53.878 52.037 0.083 0.000 0.627 263 A CB -1.447 17.613 19.000 0.099 0.000 0.818 263 A HN 0.671 nan 8.150 nan 0.000 0.445 264 A N -0.171 122.665 122.820 0.026 0.000 1.883 264 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 264 A C 2.197 179.759 177.584 -0.036 0.000 1.186 264 A CA 1.639 53.701 52.037 0.042 0.000 0.624 264 A CB -0.689 18.309 19.000 -0.003 0.000 0.822 264 A HN 0.489 nan 8.150 nan 0.000 0.444 265 L N -1.122 120.023 121.223 -0.129 0.000 2.046 265 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 265 L C 2.660 179.429 176.870 -0.167 0.000 1.077 265 L CA 1.772 56.516 54.840 -0.159 0.000 0.747 265 L CB -0.610 41.316 42.059 -0.222 0.000 0.896 265 L HN 0.492 nan 8.230 nan 0.000 0.432 266 E N 0.051 120.118 120.200 -0.220 0.000 2.085 266 E HA -0.244 4.106 4.350 -0.000 0.000 0.194 266 E C 2.276 178.716 176.600 -0.266 0.000 0.994 266 E CA 1.132 57.393 56.400 -0.231 0.000 0.801 266 E CB -0.076 29.499 29.700 -0.207 0.000 0.743 266 E HN 0.487 nan 8.360 nan 0.000 0.453 267 A N 1.732 124.432 122.820 -0.201 0.000 1.940 267 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 267 A C 1.928 179.316 177.584 -0.326 0.000 1.176 267 A CA 1.680 53.573 52.037 -0.240 0.000 0.631 267 A CB -0.569 18.393 19.000 -0.063 0.000 0.814 267 A HN 0.275 nan 8.150 nan 0.000 0.446 268 R N -2.112 118.307 120.500 -0.135 0.000 2.555 268 R HA 0.342 4.682 4.340 -0.000 0.000 0.272 268 R C -0.580 175.839 176.300 0.198 0.000 1.089 268 R CA -0.177 55.952 56.100 0.048 0.000 1.126 268 R CB -0.895 29.453 30.300 0.080 0.000 1.250 268 R HN 0.192 nan 8.270 nan 0.000 0.551 269 F N -0.011 119.919 119.950 -0.033 0.000 3.093 269 F HA -0.276 4.251 4.527 -0.000 0.000 0.287 269 F C -0.017 175.753 175.800 -0.050 0.000 0.882 269 F CA 1.224 59.201 58.000 -0.038 0.000 1.063 269 F CB -1.641 37.342 39.000 -0.029 0.000 1.097 269 F HN 0.470 nan 8.300 nan 0.000 0.604 270 E N 0.294 120.506 120.200 0.019 0.000 2.145 270 E HA 0.345 4.695 4.350 -0.000 0.000 0.270 270 E C -0.048 176.497 176.600 -0.092 0.000 0.906 270 E CA -0.549 55.839 56.400 -0.020 0.000 0.761 270 E CB 1.119 30.799 29.700 -0.035 0.000 1.116 270 E HN 0.098 nan 8.360 nan 0.000 0.408 271 T N 7.305 121.814 114.554 -0.075 0.000 2.765 271 T HA 0.104 4.454 4.350 -0.000 0.000 0.284 271 T C -2.063 172.538 174.700 -0.165 0.000 0.946 271 T CA -0.807 61.225 62.100 -0.113 0.000 1.185 271 T CB 0.232 69.061 68.868 -0.065 0.000 0.887 271 T HN 0.399 nan 8.240 nan 0.000 0.532 272 P HA 0.282 nan 4.420 nan 0.000 0.274 272 P C -2.724 174.413 177.300 -0.273 0.000 1.231 272 P CA -1.689 61.204 63.100 -0.344 0.000 0.790 272 P CB -0.106 31.211 31.700 -0.638 0.000 0.951 273 P HA 0.018 nan 4.420 nan 0.000 0.264 273 P C 0.833 177.944 177.300 -0.314 0.000 1.193 273 P CA 0.235 63.151 63.100 -0.307 0.000 0.763 273 P CB 0.159 31.537 31.700 -0.537 0.000 0.810 274 A N 4.586 127.345 122.820 -0.103 0.000 2.070 274 A HA -0.135 4.185 4.320 -0.000 0.000 0.220 274 A C 1.639 179.239 177.584 0.026 0.000 1.159 274 A CA 0.936 52.965 52.037 -0.014 0.000 0.656 274 A CB -1.155 17.878 19.000 0.056 0.000 0.800 274 A HN 0.842 nan 8.150 nan 0.000 0.453 275 W N -0.582 120.706 121.300 -0.020 0.000 2.678 275 W HA 0.067 4.727 4.660 -0.000 0.000 0.256 275 W C 1.092 177.639 176.519 0.047 0.000 1.280 275 W CA 0.333 57.682 57.345 0.008 0.000 1.345 275 W CB -0.953 28.391 29.460 -0.193 0.000 1.118 275 W HN 0.229 nan 8.180 nan 0.000 0.629 276 L N 0.974 121.909 121.223 -0.481 0.000 2.017 276 L HA -0.251 4.089 4.340 -0.000 0.000 0.208 276 L C 2.768 179.592 176.870 -0.077 0.000 1.073 276 L CA 1.347 55.972 54.840 -0.358 0.000 0.745 276 L CB -1.009 40.786 42.059 -0.440 0.000 0.894 276 L HN 0.023 nan 8.230 nan 0.000 0.432 277 L N -0.316 120.858 121.223 -0.081 0.000 2.109 277 L HA -0.143 4.197 4.340 -0.000 0.000 0.207 277 L C 2.348 179.202 176.870 -0.027 0.000 1.086 277 L CA 1.613 56.386 54.840 -0.113 0.000 0.760 277 L CB -0.446 41.512 42.059 -0.169 0.000 0.910 277 L HN 0.194 nan 8.230 nan 0.000 0.437 278 E N -0.343 119.894 120.200 0.063 0.000 2.031 278 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 278 E C 1.666 178.329 176.600 0.106 0.000 0.994 278 E CA 1.537 58.003 56.400 0.110 0.000 0.800 278 E CB -0.221 29.606 29.700 0.211 0.000 0.752 278 E HN 0.526 nan 8.360 nan 0.000 0.447 279 D N 0.303 120.849 120.400 0.244 0.000 2.264 279 D HA -0.075 4.565 4.640 -0.000 0.000 0.208 279 D C 1.695 178.033 176.300 0.063 0.000 0.966 279 D CA 0.957 55.120 54.000 0.272 0.000 0.864 279 D CB -0.179 40.950 40.800 0.549 0.000 0.933 279 D HN 0.175 nan 8.370 nan 0.000 0.499 280 A N 1.217 124.068 122.820 0.051 0.000 1.855 280 A HA -0.190 4.130 4.320 -0.000 0.000 0.215 280 A C 2.058 179.640 177.584 -0.004 0.000 1.191 280 A CA 1.283 53.331 52.037 0.019 0.000 0.613 280 A CB -0.317 18.643 19.000 -0.066 0.000 0.829 280 A HN 0.110 nan 8.150 nan 0.000 0.442 281 K N -0.616 119.756 120.400 -0.048 0.000 2.063 281 K HA -0.107 4.213 4.320 -0.000 0.000 0.208 281 K C 2.126 178.724 176.600 -0.003 0.000 1.048 281 K CA 1.138 57.437 56.287 0.020 0.000 0.928 281 K CB -0.510 32.002 32.500 0.019 0.000 0.713 281 K HN 0.468 nan 8.250 nan 0.000 0.442 282 G N 1.632 110.232 108.800 -0.334 0.000 2.446 282 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.217 282 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.217 282 G C 1.490 176.069 174.900 -0.535 0.000 1.168 282 G CA 0.768 45.328 45.100 -0.899 0.000 0.771 282 G HN 0.108 nan 8.290 nan 0.000 0.551 283 L N -0.925 120.129 121.223 -0.283 0.000 2.141 283 L HA 0.046 4.386 4.340 -0.000 0.000 0.209 283 L C 2.532 179.543 176.870 0.236 0.000 1.094 283 L CA 0.706 55.613 54.840 0.111 0.000 0.763 283 L CB -0.381 41.812 42.059 0.223 0.000 0.908 283 L HN 0.235 nan 8.230 nan 0.000 0.437 284 F N 0.175 120.176 119.950 0.085 0.000 2.075 284 F HA -0.284 4.243 4.527 -0.000 0.000 0.297 284 F C 2.870 178.753 175.800 0.139 0.000 1.113 284 F CA 2.004 60.079 58.000 0.124 0.000 1.218 284 F CB -0.454 38.642 39.000 0.160 0.000 0.984 284 F HN 0.128 nan 8.300 nan 0.000 0.472 285 H N 0.378 119.595 119.070 0.246 0.000 2.319 285 H HA -0.168 4.388 4.556 -0.000 0.000 0.299 285 H C 2.097 177.483 175.328 0.096 0.000 1.092 285 H CA 1.722 57.855 56.048 0.142 0.000 1.302 285 H CB -0.505 29.351 29.762 0.157 0.000 1.373 285 H HN 0.363 nan 8.280 nan 0.000 0.497 286 A N 0.185 123.140 122.820 0.224 0.000 1.940 286 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 286 A C 2.650 180.407 177.584 0.289 0.000 1.176 286 A CA 2.120 54.323 52.037 0.277 0.000 0.631 286 A CB -1.000 18.225 19.000 0.374 0.000 0.814 286 A HN 0.575 nan 8.150 nan 0.000 0.446 287 T N 0.098 114.773 114.554 0.203 0.000 2.777 287 T HA -0.041 4.309 4.350 -0.000 0.000 0.266 287 T C 1.792 176.494 174.700 0.004 0.000 1.040 287 T CA 1.429 63.540 62.100 0.018 0.000 1.141 287 T CB -0.326 68.429 68.868 -0.189 0.000 0.868 287 T HN 0.441 nan 8.240 nan 0.000 0.444 288 I N 0.572 121.074 120.570 -0.112 0.000 2.233 288 I HA -0.111 4.059 4.170 -0.000 0.000 0.243 288 I C 2.841 178.946 176.117 -0.020 0.000 1.093 288 I CA 0.983 62.233 61.300 -0.084 0.000 1.380 288 I CB -0.370 37.352 38.000 -0.462 0.000 1.067 288 I HN 0.130 nan 8.210 nan 0.000 0.413 289 R N 1.246 121.668 120.500 -0.131 0.000 2.115 289 R HA -0.241 4.099 4.340 -0.000 0.000 0.239 289 R C 1.619 177.932 176.300 0.022 0.000 1.133 289 R CA 2.576 58.621 56.100 -0.090 0.000 0.935 289 R CB -0.242 29.956 30.300 -0.170 0.000 0.853 289 R HN 0.356 nan 8.270 nan 0.000 0.433 290 D N -1.185 119.255 120.400 0.066 0.000 2.271 290 D HA 0.026 4.666 4.640 -0.000 0.000 0.206 290 D C 1.239 177.532 176.300 -0.013 0.000 0.967 290 D CA 1.070 55.104 54.000 0.056 0.000 0.867 290 D CB 0.357 41.236 40.800 0.132 0.000 0.960 290 D HN 0.414 nan 8.370 nan 0.000 0.509 291 A N -0.258 122.561 122.820 -0.003 0.000 2.167 291 A HA 0.043 4.363 4.320 -0.000 0.000 0.208 291 A C 0.583 178.188 177.584 0.035 0.000 1.198 291 A CA -0.419 51.624 52.037 0.009 0.000 0.863 291 A CB -0.087 18.899 19.000 -0.025 0.000 0.904 291 A HN 0.248 nan 8.150 nan 0.000 0.484 292 W N 1.132 122.327 121.300 -0.174 0.000 2.358 292 W HA 0.401 5.061 4.660 -0.000 0.000 0.307 292 W C 0.360 176.734 176.519 -0.242 0.000 1.203 292 W CA -0.224 56.841 57.345 -0.467 0.000 1.279 292 W CB 0.299 29.462 29.460 -0.496 0.000 1.264 292 W HN 0.677 nan 8.180 nan 0.000 0.474 293 A N 6.788 128.878 122.820 -1.218 0.000 2.415 293 A HA -0.232 4.088 4.320 -0.000 0.000 0.292 293 A C -1.665 175.695 177.584 -0.372 0.000 1.452 293 A CA 0.916 52.451 52.037 -0.838 0.000 0.750 293 A CB -1.466 16.979 19.000 -0.925 0.000 1.099 293 A HN 0.598 nan 8.150 nan 0.000 0.391 294 P HA 0.128 nan 4.420 nan 0.000 0.257 294 P C -0.006 177.223 177.300 -0.117 0.000 1.241 294 P CA 1.069 64.086 63.100 -0.140 0.000 0.816 294 P CB 0.211 31.848 31.700 -0.105 0.000 1.150 295 D N -1.185 119.125 120.400 -0.150 0.000 2.891 295 D HA 0.322 4.962 4.640 -0.000 0.000 0.312 295 D C 1.161 177.394 176.300 -0.111 0.000 1.354 295 D CA -0.600 53.332 54.000 -0.113 0.000 0.838 295 D CB -0.513 40.222 40.800 -0.109 0.000 1.117 295 D HN 0.109 nan 8.370 nan 0.000 0.473 296 G N -0.917 107.818 108.800 -0.109 0.000 2.184 296 G HA2 0.005 3.965 3.960 -0.000 0.000 0.264 296 G HA3 0.005 3.965 3.960 -0.000 0.000 0.264 296 G C 0.326 175.161 174.900 -0.108 0.000 0.975 296 G CA 0.079 45.125 45.100 -0.089 0.000 0.642 296 G HN 1.094 nan 8.290 nan 0.000 0.536 297 A N -0.669 122.051 122.820 -0.166 0.000 2.539 297 A HA 0.672 4.992 4.320 -0.000 0.000 0.296 297 A C -0.510 176.885 177.584 -0.315 0.000 1.073 297 A CA -0.295 51.630 52.037 -0.186 0.000 0.700 297 A CB 1.235 20.129 19.000 -0.176 0.000 1.296 297 A HN 0.086 nan 8.150 nan 0.000 0.405 298 D N 0.118 120.357 120.400 -0.267 0.000 2.361 298 D HA 0.518 5.158 4.640 -0.000 0.000 0.239 298 D C 0.754 176.671 176.300 -0.638 0.000 1.200 298 D CA 1.984 55.703 54.000 -0.468 0.000 0.915 298 D CB 1.124 41.961 40.800 0.061 0.000 1.170 298 D HN 1.485 nan 8.370 nan 0.000 0.444 299 G N -0.443 107.470 108.800 -1.477 0.000 2.497 299 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.686 299 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.686 299 G C -1.272 173.025 174.900 -1.005 0.000 1.288 299 G CA -1.026 43.407 45.100 -1.111 0.000 0.899 299 G HN 0.264 nan 8.290 nan 0.000 0.608 300 F N 0.609 120.319 119.950 -0.399 0.000 2.415 300 F HA 0.534 5.061 4.527 -0.000 0.000 0.348 300 F C 1.352 176.976 175.800 -0.293 0.000 1.119 300 F CA -0.372 57.448 58.000 -0.299 0.000 1.069 300 F CB 1.832 40.641 39.000 -0.319 0.000 1.124 300 F HN 0.542 nan 8.300 nan 0.000 0.472 301 V N 1.622 121.489 119.914 -0.079 0.000 3.051 301 V HA 0.039 4.159 4.120 -0.000 0.000 0.306 301 V C 0.444 176.466 176.094 -0.120 0.000 1.083 301 V CA -0.386 61.855 62.300 -0.100 0.000 1.104 301 V CB 0.586 32.339 31.823 -0.116 0.000 1.027 301 V HN 0.848 nan 8.190 nan 0.000 0.483 302 Y N 2.287 122.462 120.300 -0.209 0.000 2.153 302 Y HA 0.137 4.687 4.550 -0.000 0.000 0.289 302 Y C 1.664 177.414 175.900 -0.250 0.000 1.119 302 Y CA 1.349 59.298 58.100 -0.252 0.000 1.116 302 Y CB 0.037 38.399 38.460 -0.163 0.000 1.004 302 Y HN 0.944 nan 8.280 nan 0.000 0.501 303 S N -0.530 115.084 115.700 -0.143 0.000 2.600 303 S HA 0.708 5.178 4.470 -0.000 0.000 0.300 303 S C -1.009 173.474 174.600 -0.195 0.000 1.087 303 S CA -0.556 57.508 58.200 -0.227 0.000 0.965 303 S CB 2.025 65.196 63.200 -0.049 0.000 1.089 303 S HN 0.126 nan 8.310 nan 0.000 0.496 307 W N -0.164 121.132 121.300 -0.007 0.000 2.632 307 W HA 0.076 4.736 4.660 -0.000 0.000 0.248 307 W C 0.759 177.297 176.519 0.032 0.000 1.259 307 W CA 0.149 57.498 57.345 0.006 0.000 1.288 307 W CB 0.039 29.495 29.460 -0.006 0.000 1.136 307 W HN 0.310 nan 8.180 nan 0.000 0.640 308 D N -1.049 119.472 120.400 0.202 0.000 2.379 308 D HA 0.098 4.738 4.640 -0.000 0.000 0.208 308 D C 1.945 178.320 176.300 0.125 0.000 1.065 308 D CA 1.100 55.190 54.000 0.150 0.000 0.848 308 D CB 0.452 41.321 40.800 0.115 0.000 0.949 308 D HN 0.207 nan 8.370 nan 0.000 0.509 309 G N 2.174 111.047 108.800 0.122 0.000 2.141 309 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.231 309 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.231 309 G C 0.345 175.278 174.900 0.055 0.000 0.984 309 G CA 0.109 45.282 45.100 0.120 0.000 0.660 309 G HN 0.339 nan 8.290 nan 0.000 0.525 310 K N 1.088 121.508 120.400 0.032 0.000 2.234 310 K HA 0.533 4.853 4.320 -0.000 0.000 0.282 310 K C -2.335 174.253 176.600 -0.020 0.000 1.039 310 K CA -2.022 54.271 56.287 0.010 0.000 0.928 310 K CB 1.148 33.662 32.500 0.023 0.000 1.039 310 K HN 0.001 nan 8.250 nan 0.000 0.470 311 P HA -0.016 nan 4.420 nan 0.000 0.267 311 P C -0.291 176.994 177.300 -0.025 0.000 1.200 311 P CA 0.217 63.288 63.100 -0.049 0.000 0.772 311 P CB 0.644 32.310 31.700 -0.057 0.000 0.855 312 I N 1.022 121.579 120.570 -0.021 0.000 4.083 312 I HA 0.060 4.230 4.170 -0.000 0.000 0.240 312 I C 0.112 176.246 176.117 0.029 0.000 1.088 312 I CA 0.119 61.430 61.300 0.019 0.000 1.651 312 I CB -0.024 38.002 38.000 0.043 0.000 1.573 312 I HN -0.046 nan 8.210 nan 0.000 0.451 313 V N 2.968 122.913 119.914 0.052 0.000 2.408 313 V HA 0.192 4.312 4.120 -0.000 0.000 0.267 313 V C 0.855 176.972 176.094 0.037 0.000 1.047 313 V CA 0.032 62.376 62.300 0.072 0.000 0.937 313 V CB 0.744 32.664 31.823 0.162 0.000 0.999 313 V HN 0.307 nan 8.190 nan 0.000 0.472 314 R N 1.831 122.330 120.500 -0.000 0.000 2.317 314 R HA 0.142 4.482 4.340 -0.000 0.000 0.208 314 R C 0.143 176.416 176.300 -0.044 0.000 0.914 314 R CA -0.226 55.853 56.100 -0.035 0.000 1.060 314 R CB 0.298 30.567 30.300 -0.052 0.000 1.015 314 R HN 0.636 nan 8.270 nan 0.000 0.498 315 E N 1.132 121.315 120.200 -0.029 0.000 2.413 315 E HA 0.004 4.354 4.350 -0.000 0.000 0.263 315 E C -0.356 176.219 176.600 -0.041 0.000 1.015 315 E CA 0.308 56.680 56.400 -0.047 0.000 0.916 315 E CB 0.469 30.132 29.700 -0.062 0.000 0.947 315 E HN -0.211 nan 8.360 nan 0.000 0.440 316 R N 1.692 122.167 120.500 -0.041 0.000 2.296 316 R HA 0.261 4.601 4.340 -0.000 0.000 0.327 316 R C -0.939 175.360 176.300 -0.003 0.000 1.137 316 R CA -0.327 55.764 56.100 -0.015 0.000 1.020 316 R CB 0.281 30.604 30.300 0.039 0.000 1.110 316 R HN 0.221 nan 8.270 nan 0.000 0.499 317 V N 3.541 123.420 119.914 -0.060 0.000 2.834 317 V HA 0.202 4.322 4.120 -0.000 0.000 0.301 317 V C 1.887 177.921 176.094 -0.100 0.000 1.066 317 V CA -0.436 61.809 62.300 -0.091 0.000 1.052 317 V CB 1.551 33.257 31.823 -0.195 0.000 1.021 317 V HN 0.722 nan 8.190 nan 0.000 0.480 318 R N 3.176 123.688 120.500 0.020 0.000 2.075 318 R HA -0.139 4.201 4.340 -0.000 0.000 0.230 318 R C 2.299 178.577 176.300 -0.036 0.000 1.140 318 R CA 2.510 58.671 56.100 0.102 0.000 0.928 318 R CB -0.303 30.130 30.300 0.221 0.000 0.834 318 R HN 0.935 nan 8.270 nan 0.000 0.429 319 W N 0.421 121.638 121.300 -0.138 0.000 2.331 319 W HA -0.073 4.587 4.660 -0.000 0.000 0.291 319 W C -1.358 174.992 176.519 -0.281 0.000 1.214 319 W CA 0.597 57.724 57.345 -0.363 0.000 1.228 319 W CB -2.048 26.867 29.460 -0.908 0.000 1.135 319 W HN 0.175 nan 8.180 nan 0.000 0.537 320 P HA -0.207 nan 4.420 nan 0.000 0.214 320 P C 2.157 179.075 177.300 -0.637 0.000 1.163 320 P CA 2.373 64.914 63.100 -0.931 0.000 0.883 320 P CB -0.409 30.636 31.700 -1.092 0.000 0.788 321 I N -1.128 119.187 120.570 -0.424 0.000 2.394 321 I HA -0.172 3.998 4.170 -0.000 0.000 0.251 321 I C 1.799 177.769 176.117 -0.246 0.000 1.136 321 I CA 1.062 62.153 61.300 -0.349 0.000 1.425 321 I CB -0.123 37.842 38.000 -0.057 0.000 1.079 321 I HN -0.228 nan 8.210 nan 0.000 0.425 322 V N 1.123 120.973 119.914 -0.106 0.000 2.295 322 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 322 V C 2.483 178.598 176.094 0.035 0.000 1.049 322 V CA 1.846 64.129 62.300 -0.028 0.000 1.024 322 V CB -0.692 31.109 31.823 -0.036 0.000 0.648 322 V HN 0.437 nan 8.190 nan 0.000 0.447 323 E N 0.389 120.608 120.200 0.033 0.000 2.072 323 E HA -0.017 4.333 4.350 -0.000 0.000 0.191 323 E C 1.410 178.015 176.600 0.009 0.000 0.985 323 E CA 0.946 57.408 56.400 0.104 0.000 0.801 323 E CB -0.554 29.247 29.700 0.169 0.000 0.750 323 E HN 0.603 nan 8.360 nan 0.000 0.452 327 T N 2.208 116.937 114.554 0.291 0.000 2.867 327 T HA 0.148 4.498 4.350 -0.000 0.000 0.268 327 T C 2.680 177.514 174.700 0.223 0.000 1.057 327 T CA 2.071 64.303 62.100 0.220 0.000 1.136 327 T CB -0.260 68.776 68.868 0.280 0.000 0.874 327 T HN 0.560 nan 8.240 nan 0.000 0.466 328 A N 0.937 124.074 122.820 0.528 0.000 1.883 328 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 328 A C 2.082 179.823 177.584 0.261 0.000 1.186 328 A CA 1.762 54.122 52.037 0.538 0.000 0.624 328 A CB -1.084 18.502 19.000 0.977 0.000 0.822 328 A HN 0.589 nan 8.150 nan 0.000 0.444 329 Y N 0.696 121.065 120.300 0.114 0.000 2.145 329 Y HA -0.108 4.442 4.550 -0.000 0.000 0.286 329 Y C 2.646 178.355 175.900 -0.318 0.000 1.145 329 Y CA 1.337 59.206 58.100 -0.385 0.000 1.148 329 Y CB -0.746 37.529 38.460 -0.310 0.000 0.981 329 Y HN 0.307 nan 8.280 nan 0.000 0.507 330 A N 0.514 123.123 122.820 -0.350 0.000 1.883 330 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 330 A C 2.364 179.618 177.584 -0.550 0.000 1.186 330 A CA 2.026 53.766 52.037 -0.495 0.000 0.624 330 A CB -1.257 17.540 19.000 -0.338 0.000 0.822 330 A HN 0.572 nan 8.150 nan 0.000 0.444 331 L N -2.139 118.735 121.223 -0.582 0.000 2.083 331 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 331 L C 2.576 179.035 176.870 -0.685 0.000 1.083 331 L CA 1.667 56.002 54.840 -0.842 0.000 0.752 331 L CB -0.570 40.525 42.059 -1.607 0.000 0.899 331 L HN 0.632 nan 8.230 nan 0.000 0.433 332 Y N 0.868 120.818 120.300 -0.584 0.000 2.145 332 Y HA -0.298 4.252 4.550 -0.000 0.000 0.286 332 Y C 2.622 178.300 175.900 -0.370 0.000 1.145 332 Y CA 2.216 60.142 58.100 -0.289 0.000 1.148 332 Y CB -0.605 37.703 38.460 -0.252 0.000 0.981 332 Y HN 0.043 nan 8.280 nan 0.000 0.507 333 T N 1.047 115.241 114.554 -0.599 0.000 2.803 333 T HA -0.178 4.172 4.350 -0.000 0.000 0.269 333 T C 1.781 176.199 174.700 -0.470 0.000 1.052 333 T CA 1.893 63.638 62.100 -0.592 0.000 1.136 333 T CB -0.374 68.099 68.868 -0.658 0.000 0.864 333 T HN 0.341 nan 8.240 nan 0.000 0.467 334 L N 0.628 121.578 121.223 -0.456 0.000 2.554 334 L HA 0.135 4.475 4.340 -0.000 0.000 0.225 334 L C 2.564 179.245 176.870 -0.315 0.000 1.104 334 L CA 0.902 55.513 54.840 -0.382 0.000 0.866 334 L CB -0.057 41.722 42.059 -0.466 0.000 1.047 334 L HN 0.384 nan 8.230 nan 0.000 0.468 335 T N -6.841 107.523 114.554 -0.316 0.000 2.955 335 T HA 0.043 4.393 4.350 -0.000 0.000 0.251 335 T C 0.957 175.546 174.700 -0.186 0.000 1.002 335 T CA 0.386 62.374 62.100 -0.188 0.000 0.970 335 T CB 0.395 69.225 68.868 -0.064 0.000 1.091 335 T HN 0.074 nan 8.240 nan 0.000 0.495 336 D N 1.352 121.538 120.400 -0.357 0.000 3.079 336 D HA -0.149 4.491 4.640 -0.000 0.000 0.214 336 D C -0.509 175.708 176.300 -0.140 0.000 1.145 336 D CA 1.100 54.839 54.000 -0.436 0.000 0.958 336 D CB -1.580 39.057 40.800 -0.272 0.000 1.117 336 D HN 0.622 nan 8.370 nan 0.000 0.416 337 D N -0.491 119.926 120.400 0.028 0.000 2.343 337 D HA 0.239 4.879 4.640 -0.000 0.000 0.255 337 D C 0.979 177.417 176.300 0.230 0.000 1.187 337 D CA 0.231 54.303 54.000 0.119 0.000 0.875 337 D CB 0.948 41.824 40.800 0.127 0.000 1.136 337 D HN -0.020 nan 8.370 nan 0.000 0.469 338 S N 3.034 118.826 115.700 0.153 0.000 2.440 338 S HA -0.265 4.205 4.470 -0.000 0.000 0.238 338 S C 1.812 176.430 174.600 0.029 0.000 1.010 338 S CA 1.332 59.620 58.200 0.147 0.000 0.972 338 S CB -0.205 63.026 63.200 0.051 0.000 0.774 338 S HN 0.770 nan 8.310 nan 0.000 0.501 339 Q N 0.269 120.016 119.800 -0.088 0.000 2.135 339 Q HA -0.194 4.146 4.340 -0.000 0.000 0.204 339 Q C 1.493 177.467 176.000 -0.044 0.000 0.981 339 Q CA 1.708 57.409 55.803 -0.171 0.000 0.856 339 Q CB -0.791 27.809 28.738 -0.230 0.000 0.902 339 Q HN 0.641 nan 8.270 nan 0.000 0.425 340 Y N 1.226 121.653 120.300 0.211 0.000 2.242 340 Y HA -0.174 4.376 4.550 -0.000 0.000 0.291 340 Y C 2.448 178.529 175.900 0.301 0.000 1.137 340 Y CA 1.369 59.624 58.100 0.258 0.000 1.181 340 Y CB -0.004 38.534 38.460 0.130 0.000 0.989 340 Y HN 0.308 nan 8.280 nan 0.000 0.527 341 E N 0.695 121.093 120.200 0.330 0.000 2.106 341 E HA -0.195 4.155 4.350 -0.000 0.000 0.192 341 E C 1.735 178.199 176.600 -0.227 0.000 0.984 341 E CA 1.163 57.534 56.400 -0.047 0.000 0.806 341 E CB 0.013 29.536 29.700 -0.295 0.000 0.750 341 E HN 0.523 nan 8.360 nan 0.000 0.458 342 E N -0.337 119.717 120.200 -0.244 0.000 2.077 342 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 342 E C 1.733 178.006 176.600 -0.545 0.000 0.989 342 E CA 1.315 57.447 56.400 -0.447 0.000 0.800 342 E CB -0.218 29.176 29.700 -0.510 0.000 0.746 342 E HN 0.452 nan 8.360 nan 0.000 0.452 343 W N 0.146 121.175 121.300 -0.451 0.000 2.358 343 W HA -0.200 4.460 4.660 -0.000 0.000 0.303 343 W C 2.304 178.301 176.519 -0.870 0.000 1.208 343 W CA 0.953 57.719 57.345 -0.965 0.000 1.274 343 W CB -0.568 28.266 29.460 -1.044 0.000 1.138 343 W HN 0.163 nan 8.180 nan 0.000 0.515 344 Y N 1.619 121.851 120.300 -0.113 0.000 2.081 344 Y HA -0.381 4.169 4.550 -0.000 0.000 0.280 344 Y C 2.335 178.291 175.900 0.093 0.000 1.163 344 Y CA 2.516 60.732 58.100 0.195 0.000 1.135 344 Y CB -0.771 37.849 38.460 0.266 0.000 0.970 344 Y HN 0.061 nan 8.280 nan 0.000 0.498 345 Q N 0.123 119.771 119.800 -0.253 0.000 2.079 345 Q HA -0.208 4.132 4.340 -0.000 0.000 0.200 345 Q C 2.330 178.178 176.000 -0.254 0.000 0.974 345 Q CA 1.737 57.203 55.803 -0.561 0.000 0.840 345 Q CB -0.307 27.673 28.738 -1.263 0.000 0.898 345 Q HN 0.450 nan 8.270 nan 0.000 0.430 346 K N 0.278 120.466 120.400 -0.354 0.000 2.044 346 K HA -0.187 4.133 4.320 -0.000 0.000 0.210 346 K C 1.705 178.308 176.600 0.005 0.000 1.049 346 K CA 1.483 57.604 56.287 -0.277 0.000 0.927 346 K CB -0.021 32.132 32.500 -0.579 0.000 0.713 346 K HN 0.284 nan 8.250 nan 0.000 0.443 347 W N -0.287 121.019 121.300 0.009 0.000 2.402 347 W HA -0.112 4.548 4.660 -0.000 0.000 0.286 347 W C 1.810 178.391 176.519 0.104 0.000 1.221 347 W CA 0.137 57.504 57.345 0.036 0.000 1.257 347 W CB -1.224 28.227 29.460 -0.014 0.000 1.120 347 W HN 0.269 nan 8.180 nan 0.000 0.551 348 W N 1.068 122.517 121.300 0.248 0.000 2.381 348 W HA -0.199 4.461 4.660 0.000 0.000 0.301 348 W C 2.073 178.690 176.519 0.163 0.000 1.205 348 W CA 1.255 58.709 57.345 0.181 0.000 1.285 348 W CB -0.342 29.190 29.460 0.119 0.000 1.133 348 W HN -0.261 nan 8.180 nan 0.000 0.521 349 D N -1.120 119.524 120.400 0.407 0.000 2.117 349 D HA -0.266 4.374 4.640 -0.000 0.000 0.197 349 D C 1.579 178.041 176.300 0.270 0.000 0.987 349 D CA 1.505 55.663 54.000 0.263 0.000 0.829 349 D CB -0.992 39.913 40.800 0.175 0.000 0.961 349 D HN 0.250 nan 8.370 nan 0.000 0.460 350 Y N 1.032 121.492 120.300 0.267 0.000 2.145 350 Y HA -0.285 4.265 4.550 -0.000 0.000 0.286 350 Y C 2.401 178.469 175.900 0.281 0.000 1.145 350 Y CA 1.469 59.783 58.100 0.357 0.000 1.148 350 Y CB -0.402 38.363 38.460 0.508 0.000 0.981 350 Y HN -0.017 nan 8.280 nan 0.000 0.507 351 C N 0.432 119.999 119.300 0.446 0.000 2.413 351 C HA -0.229 4.231 4.460 -0.000 0.000 0.276 351 C C 2.741 177.659 174.990 -0.119 0.000 1.236 351 C CA 1.512 60.612 59.018 0.136 0.000 1.735 351 C CB -1.431 26.314 27.740 0.008 0.000 2.031 351 C HN 0.758 nan 8.230 nan 0.000 0.474 352 I N 0.472 121.051 120.570 0.014 0.000 2.493 352 I HA -0.170 4.000 4.170 -0.000 0.000 0.254 352 I C 2.521 178.581 176.117 -0.096 0.000 1.160 352 I CA 1.419 62.699 61.300 -0.032 0.000 1.445 352 I CB -0.399 37.659 38.000 0.096 0.000 1.086 352 I HN 0.352 nan 8.210 nan 0.000 0.433 353 K N -0.130 120.161 120.400 -0.181 0.000 2.116 353 K HA -0.150 4.170 4.320 -0.000 0.000 0.203 353 K C 1.309 177.579 176.600 -0.550 0.000 1.052 353 K CA 1.602 57.633 56.287 -0.428 0.000 0.952 353 K CB 0.026 32.126 32.500 -0.667 0.000 0.729 353 K HN 0.404 nan 8.250 nan 0.000 0.446 354 Y N -0.603 119.545 120.300 -0.254 0.000 2.452 354 Y HA 0.267 4.817 4.550 0.000 0.000 0.262 354 Y C 0.702 176.558 175.900 -0.073 0.000 1.089 354 Y CA -0.760 57.195 58.100 -0.241 0.000 1.262 354 Y CB 0.711 38.873 38.460 -0.495 0.000 1.236 354 Y HN -0.156 nan 8.280 nan 0.000 0.512 358 Y N 0.863 121.106 120.300 -0.094 0.000 2.439 358 Y HA -0.052 4.498 4.550 0.000 0.000 0.292 358 Y C 2.170 178.052 175.900 -0.031 0.000 1.130 358 Y CA 0.891 58.960 58.100 -0.052 0.000 1.254 358 Y CB 0.409 38.855 38.460 -0.023 0.000 1.000 358 Y HN 0.351 nan 8.280 nan 0.000 0.554 359 E N 0.697 120.967 120.200 0.117 0.000 2.016 359 E HA -0.134 4.216 4.350 -0.000 0.000 0.190 359 E C 1.323 177.954 176.600 0.051 0.000 0.985 359 E CA 1.630 58.085 56.400 0.092 0.000 0.802 359 E CB -0.156 29.613 29.700 0.116 0.000 0.762 359 E HN 0.274 nan 8.360 nan 0.000 0.448 360 N N -0.274 118.409 118.700 -0.028 0.000 2.254 360 N HA 0.209 4.949 4.740 -0.000 0.000 0.190 360 N C -0.082 175.429 175.510 0.001 0.000 1.107 360 N CA 0.835 53.872 53.050 -0.021 0.000 0.869 360 N CB 1.295 39.735 38.487 -0.078 0.000 0.983 360 N HN 0.231 nan 8.380 nan 0.000 0.487 361 G N 0.643 109.382 108.800 -0.102 0.000 2.650 361 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.686 361 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.686 361 G C -0.112 174.409 174.900 -0.631 0.000 1.205 361 G CA -0.213 44.804 45.100 -0.139 0.000 0.781 361 G HN 0.292 nan 8.290 nan 0.000 0.648 362 S N -1.084 114.197 115.700 -0.698 0.000 3.236 362 S HA -0.162 4.308 4.470 -0.000 0.000 0.629 362 S C 0.262 174.756 174.600 -0.177 0.000 2.873 362 S CA 2.167 59.979 58.200 -0.647 0.000 3.603 362 S CB -0.971 61.348 63.200 -1.468 0.000 0.287 362 S HN 2.015 nan 8.310 nan 0.000 1.458 363 W N -0.209 120.780 121.300 -0.518 0.000 2.799 363 W HA 0.667 5.327 4.660 -0.000 0.000 0.349 363 W C -0.550 175.795 176.519 -0.290 0.000 1.100 363 W CA -1.242 55.900 57.345 -0.339 0.000 1.174 363 W CB -0.138 29.249 29.460 -0.121 0.000 1.427 363 W HN 0.682 nan 8.180 nan 0.000 0.547 364 W N 1.201 122.612 121.300 0.185 0.000 2.150 364 W HA 0.184 4.844 4.660 -0.000 0.000 0.341 364 W C 1.661 178.281 176.519 0.169 0.000 1.276 364 W CA -0.045 57.379 57.345 0.133 0.000 1.238 364 W CB 0.502 30.019 29.460 0.095 0.000 1.128 364 W HN 0.330 nan 8.180 nan 0.000 0.581 365 Q N 0.769 120.818 119.800 0.415 0.000 2.250 365 Q HA 0.021 4.360 4.340 -0.000 0.000 0.200 365 Q C -0.200 175.939 176.000 0.232 0.000 0.941 365 Q CA 1.209 57.186 55.803 0.290 0.000 0.872 365 Q CB 0.406 29.300 28.738 0.261 0.000 0.965 365 Q HN 0.530 nan 8.270 nan 0.000 0.480 366 E N -0.908 119.421 120.200 0.214 0.000 2.352 366 E HA 0.433 4.783 4.350 -0.000 0.000 0.280 366 E C -1.572 175.058 176.600 0.051 0.000 0.930 366 E CA -0.443 56.020 56.400 0.105 0.000 0.765 366 E CB 0.918 30.652 29.700 0.057 0.000 1.219 366 E HN 0.176 nan 8.360 nan 0.000 0.434 367 L N 1.487 122.715 121.223 0.009 0.000 2.256 367 L HA 0.527 4.867 4.340 -0.000 0.000 0.261 367 L C 0.056 176.883 176.870 -0.071 0.000 1.022 367 L CA -1.204 53.603 54.840 -0.055 0.000 0.828 367 L CB 1.359 43.383 42.059 -0.057 0.000 1.374 367 L HN 0.561 nan 8.230 nan 0.000 0.436 368 D N -0.145 120.194 120.400 -0.101 0.000 2.372 368 D HA 0.157 4.797 4.640 -0.000 0.000 0.243 368 D C 0.627 176.866 176.300 -0.100 0.000 1.297 368 D CA 0.364 54.307 54.000 -0.094 0.000 0.958 368 D CB 1.145 41.883 40.800 -0.104 0.000 1.114 368 D HN 0.619 nan 8.370 nan 0.000 0.496 369 A N 0.310 123.074 122.820 -0.093 0.000 2.119 369 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 369 A C 0.979 178.483 177.584 -0.132 0.000 1.153 369 A CA 0.974 52.949 52.037 -0.104 0.000 0.692 369 A CB 0.061 19.010 19.000 -0.084 0.000 0.799 369 A HN 0.378 nan 8.150 nan 0.000 0.458 370 D N 0.403 120.724 120.400 -0.132 0.000 2.463 370 D HA 0.064 4.704 4.640 -0.000 0.000 0.224 370 D C -0.367 175.798 176.300 -0.225 0.000 1.174 370 D CA -0.139 53.769 54.000 -0.152 0.000 0.829 370 D CB -0.086 40.651 40.800 -0.105 0.000 0.993 370 D HN 0.303 nan 8.370 nan 0.000 0.497 371 N N 1.130 119.675 118.700 -0.259 0.000 2.735 371 N HA -0.198 4.542 4.740 -0.000 0.000 0.248 371 N C -0.129 175.230 175.510 -0.252 0.000 1.083 371 N CA 0.817 53.639 53.050 -0.380 0.000 0.703 371 N CB -1.115 36.793 38.487 -0.964 0.000 1.005 371 N HN 0.380 nan 8.380 nan 0.000 0.550 372 K N 0.486 120.785 120.400 -0.168 0.000 2.164 372 K HA 0.441 4.761 4.320 -0.000 0.000 0.258 372 K C 0.500 176.980 176.600 -0.200 0.000 0.951 372 K CA -0.773 55.427 56.287 -0.145 0.000 0.844 372 K CB 2.038 34.471 32.500 -0.112 0.000 1.099 372 K HN 0.061 nan 8.250 nan 0.000 0.435 373 V N 0.482 120.209 119.914 -0.312 0.000 2.529 373 V HA 0.288 4.408 4.120 -0.000 0.000 0.292 373 V C -0.498 175.417 176.094 -0.298 0.000 1.028 373 V CA 0.282 62.303 62.300 -0.466 0.000 1.074 373 V CB 0.578 31.810 31.823 -0.985 0.000 0.958 373 V HN 0.693 nan 8.190 nan 0.000 0.481 374 T N 3.312 117.744 114.554 -0.202 0.000 3.193 374 T HA 0.462 4.812 4.350 -0.000 0.000 0.332 374 T C -0.033 174.636 174.700 -0.051 0.000 1.208 374 T CA 0.211 62.243 62.100 -0.112 0.000 1.080 374 T CB 1.344 70.162 68.868 -0.084 0.000 1.180 374 T HN 1.162 nan 8.240 nan 0.000 0.469 381 K N 1.321 121.886 120.400 0.275 0.000 3.309 381 K HA 0.102 4.422 4.320 -0.000 0.000 0.187 381 K C 1.485 178.168 176.600 0.138 0.000 1.085 381 K CA -0.482 55.924 56.287 0.199 0.000 0.867 381 K CB 0.779 33.404 32.500 0.208 0.000 0.846 381 K HN 0.270 nan 8.250 nan 0.000 0.522 382 Q N -0.077 119.669 119.800 -0.090 0.000 2.436 382 Q HA -0.066 4.274 4.340 -0.000 0.000 0.209 382 Q C -0.234 175.605 176.000 -0.269 0.000 0.965 382 Q CA 1.091 56.649 55.803 -0.408 0.000 0.910 382 Q CB -0.115 27.815 28.738 -1.347 0.000 0.980 382 Q HN 0.317 nan 8.270 nan 0.000 0.491 383 D N 0.003 120.355 120.400 -0.081 0.000 2.340 383 D HA 0.471 5.111 4.640 -0.000 0.000 0.240 383 D C 0.433 176.735 176.300 0.002 0.000 1.001 383 D CA -0.691 53.300 54.000 -0.015 0.000 0.888 383 D CB 1.194 42.080 40.800 0.142 0.000 1.310 383 D HN 0.121 nan 8.370 nan 0.000 0.474 384 I N -0.004 120.554 120.570 -0.019 0.000 4.765 384 I HA 0.222 4.392 4.170 -0.000 0.000 0.349 384 I C 0.826 176.869 176.117 -0.123 0.000 1.278 384 I CA -0.571 60.676 61.300 -0.089 0.000 1.331 384 I CB -0.117 37.857 38.000 -0.042 0.000 1.570 384 I HN 0.405 nan 8.210 nan 0.000 0.538 385 Y N 2.435 122.614 120.300 -0.202 0.000 2.181 385 Y HA -0.197 4.353 4.550 -0.000 0.000 0.288 385 Y C 2.530 178.206 175.900 -0.373 0.000 1.146 385 Y CA 1.940 59.890 58.100 -0.251 0.000 1.164 385 Y CB -0.576 37.707 38.460 -0.295 0.000 0.982 385 Y HN 0.176 nan 8.280 nan 0.000 0.515 386 H N 0.573 119.175 119.070 -0.780 0.000 2.321 386 H HA -0.148 4.408 4.556 -0.000 0.000 0.300 386 H C 2.359 177.313 175.328 -0.624 0.000 1.087 386 H CA 2.057 57.604 56.048 -0.834 0.000 1.319 386 H CB -0.464 29.155 29.762 -0.239 0.000 1.379 386 H HN 0.415 nan 8.280 nan 0.000 0.501 387 L N 0.726 121.737 121.223 -0.352 0.000 2.197 387 L HA -0.227 4.113 4.340 -0.000 0.000 0.215 387 L C 2.536 179.253 176.870 -0.255 0.000 1.095 387 L CA 0.711 55.318 54.840 -0.388 0.000 0.764 387 L CB -0.463 41.271 42.059 -0.541 0.000 0.897 387 L HN 0.213 nan 8.230 nan 0.000 0.436 388 L N -1.337 119.702 121.223 -0.307 0.000 2.275 388 L HA -0.209 4.131 4.340 -0.000 0.000 0.215 388 L C 2.241 179.123 176.870 0.021 0.000 1.119 388 L CA 1.061 55.807 54.840 -0.157 0.000 0.790 388 L CB -0.811 41.165 42.059 -0.139 0.000 0.919 388 L HN 0.418 nan 8.230 nan 0.000 0.443 389 H N -0.943 118.118 119.070 -0.015 0.000 2.495 389 H HA -0.113 4.443 4.556 -0.000 0.000 0.287 389 H C 2.186 177.607 175.328 0.155 0.000 1.033 389 H CA 1.133 57.223 56.048 0.070 0.000 1.307 389 H CB 0.187 29.978 29.762 0.048 0.000 1.401 389 H HN 0.595 nan 8.280 nan 0.000 0.555 390 C N -1.380 118.076 119.300 0.261 0.000 3.228 390 C HA 0.358 4.818 4.460 -0.000 0.000 0.290 390 C C 1.732 177.043 174.990 0.535 0.000 1.301 390 C CA -0.601 58.650 59.018 0.388 0.000 1.703 390 C CB -0.585 27.285 27.740 0.217 0.000 2.141 390 C HN 0.382 nan 8.230 nan 0.000 0.656 391 L N 0.501 121.918 121.223 0.323 0.000 2.500 391 L HA 0.214 4.554 4.340 -0.000 0.000 0.219 391 L C 2.309 179.258 176.870 0.133 0.000 1.057 391 L CA 0.638 55.639 54.840 0.270 0.000 0.854 391 L CB 0.170 42.288 42.059 0.099 0.000 1.078 391 L HN 0.202 nan 8.230 nan 0.000 0.480 392 V N -1.003 118.969 119.914 0.096 0.000 3.013 392 V HA 0.033 4.153 4.120 -0.000 0.000 0.238 392 V C 2.104 178.240 176.094 0.070 0.000 1.161 392 V CA 0.299 62.639 62.300 0.065 0.000 1.170 392 V CB 0.587 32.443 31.823 0.055 0.000 0.917 392 V HN 0.169 nan 8.190 nan 0.000 0.478 393 I N 1.062 121.701 120.570 0.114 0.000 2.248 393 I HA -0.173 3.997 4.170 -0.000 0.000 0.248 393 I C -0.535 175.455 176.117 -0.211 0.000 1.107 393 I CA 1.878 63.237 61.300 0.099 0.000 1.373 393 I CB -1.046 37.093 38.000 0.231 0.000 1.055 393 I HN 0.349 nan 8.210 nan 0.000 0.418 394 P HA -0.085 nan 4.420 nan 0.000 0.234 394 P C 0.910 177.872 177.300 -0.562 0.000 1.167 394 P CA 1.132 63.605 63.100 -1.046 0.000 0.763 394 P CB -0.029 31.537 31.700 -0.223 0.000 0.835 395 R N -1.601 118.793 120.500 -0.177 0.000 2.362 395 R HA 0.284 4.624 4.340 -0.000 0.000 0.227 395 R C 0.321 176.650 176.300 0.048 0.000 0.905 395 R CA 0.061 56.154 56.100 -0.011 0.000 1.067 395 R CB 0.140 30.456 30.300 0.028 0.000 1.078 395 R HN 0.229 nan 8.270 nan 0.000 0.516 396 L N 0.991 122.250 121.223 0.059 0.000 2.333 396 L HA 0.537 4.877 4.340 -0.000 0.000 0.263 396 L C -2.295 174.724 176.870 0.249 0.000 1.014 396 L CA -2.562 52.365 54.840 0.145 0.000 0.820 396 L CB 2.126 44.264 42.059 0.132 0.000 1.352 396 L HN -0.186 nan 8.230 nan 0.000 0.421 397 P HA 0.165 nan 4.420 nan 0.000 0.275 397 P C 0.371 177.794 177.300 0.205 0.000 1.266 397 P CA -0.389 62.815 63.100 0.174 0.000 0.793 397 P CB 1.056 32.822 31.700 0.109 0.000 1.074 398 L N -0.986 120.329 121.223 0.153 0.000 2.418 398 L HA 0.154 4.494 4.340 -0.000 0.000 0.218 398 L C 1.192 178.231 176.870 0.281 0.000 1.125 398 L CA 0.687 55.671 54.840 0.239 0.000 0.835 398 L CB -0.353 41.734 42.059 0.046 0.000 0.953 398 L HN 0.379 nan 8.230 nan 0.000 0.454 399 A N 0.298 123.214 122.820 0.160 0.000 2.398 399 A HA 0.688 5.008 4.320 -0.000 0.000 0.301 399 A C -2.438 175.207 177.584 0.103 0.000 1.041 399 A CA -1.076 51.041 52.037 0.134 0.000 0.711 399 A CB 1.043 20.108 19.000 0.108 0.000 1.240 399 A HN -0.173 nan 8.150 nan 0.000 0.420 400 P HA 0.385 nan 4.420 nan 0.000 0.289 400 P C 0.731 178.072 177.300 0.069 0.000 1.299 400 P CA -0.013 63.148 63.100 0.101 0.000 0.766 400 P CB 0.444 32.190 31.700 0.076 0.000 1.226 401 G N -0.589 108.228 108.800 0.027 0.000 2.750 401 G HA2 0.037 3.997 3.960 -0.000 0.000 0.250 401 G HA3 0.037 3.997 3.960 -0.000 0.000 0.250 401 G C 0.928 175.830 174.900 0.003 0.000 1.230 401 G CA -0.352 44.713 45.100 -0.058 0.000 0.883 401 G HN 0.540 nan 8.290 nan 0.000 0.573 402 L N 1.362 122.590 121.223 0.007 0.000 1.957 402 L HA -0.228 4.112 4.340 -0.000 0.000 0.228 402 L C 3.073 179.998 176.870 0.092 0.000 1.086 402 L CA 3.401 58.299 54.840 0.098 0.000 0.796 402 L CB -1.126 41.050 42.059 0.196 0.000 0.900 402 L HN 0.647 nan 8.230 nan 0.000 0.439 403 A N -0.536 122.350 122.820 0.109 0.000 1.865 403 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 403 A C 0.260 177.868 177.584 0.039 0.000 1.191 403 A CA 2.235 54.307 52.037 0.058 0.000 0.623 403 A CB -2.215 16.828 19.000 0.071 0.000 0.826 403 A HN 0.524 nan 8.150 nan 0.000 0.444 404 P HA -0.176 nan 4.420 nan 0.000 0.215 404 P C 1.817 179.132 177.300 0.026 0.000 1.157 404 P CA 2.151 65.259 63.100 0.014 0.000 0.874 404 P CB -0.164 31.537 31.700 0.001 0.000 0.790 405 A N -0.725 122.121 122.820 0.043 0.000 1.883 405 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 405 A C 2.346 179.959 177.584 0.050 0.000 1.186 405 A CA 2.081 54.151 52.037 0.054 0.000 0.624 405 A CB -1.772 17.273 19.000 0.075 0.000 0.822 405 A HN 0.029 nan 8.150 nan 0.000 0.444 406 V N -0.132 119.812 119.914 0.049 0.000 2.295 406 V HA -0.257 3.863 4.120 -0.000 0.000 0.246 406 V C 3.040 179.154 176.094 0.032 0.000 1.049 406 V CA 2.008 64.335 62.300 0.045 0.000 1.024 406 V CB -1.319 30.530 31.823 0.045 0.000 0.648 406 V HN 0.617 nan 8.190 nan 0.000 0.447 407 A N -0.113 122.722 122.820 0.025 0.000 2.019 407 A HA -0.025 4.295 4.320 -0.000 0.000 0.219 407 A C 2.197 179.790 177.584 0.015 0.000 1.164 407 A CA 1.758 53.805 52.037 0.016 0.000 0.644 407 A CB -0.555 18.452 19.000 0.012 0.000 0.805 407 A HN 0.613 nan 8.150 nan 0.000 0.449 408 A N -1.626 121.206 122.820 0.020 0.000 2.238 408 A HA 0.416 4.736 4.320 -0.000 0.000 0.208 408 A C 1.697 179.297 177.584 0.027 0.000 1.177 408 A CA 1.083 53.133 52.037 0.022 0.000 0.804 408 A CB -0.986 18.030 19.000 0.027 0.000 0.823 408 A HN 1.865 nan 8.150 nan 0.000 0.482 409 G N -0.785 108.032 108.800 0.029 0.000 2.176 409 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.252 409 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.252 409 G C 0.501 175.425 174.900 0.040 0.000 1.024 409 G CA 0.438 45.556 45.100 0.031 0.000 0.755 409 G HN 0.531 nan 8.290 nan 0.000 0.507 410 L N -0.815 120.436 121.223 0.047 0.000 2.592 410 L HA 0.339 4.679 4.340 -0.000 0.000 0.227 410 L C 1.436 178.344 176.870 0.065 0.000 1.127 410 L CA -0.539 54.335 54.840 0.057 0.000 0.884 410 L CB -0.011 42.086 42.059 0.064 0.000 1.065 410 L HN 0.277 nan 8.230 nan 0.000 0.457 411 L N 1.315 122.573 121.223 0.058 0.000 2.559 411 L HA -0.028 4.312 4.340 -0.000 0.000 0.274 411 L C 0.563 177.469 176.870 0.061 0.000 1.205 411 L CA 0.956 55.832 54.840 0.059 0.000 0.907 411 L CB -0.240 41.850 42.059 0.052 0.000 1.153 411 L HN 0.204 nan 8.230 nan 0.000 0.490 412 D N 2.345 122.786 120.400 0.069 0.000 3.077 412 D HA -0.336 4.303 4.640 -0.000 0.000 0.217 412 D C 1.500 177.848 176.300 0.081 0.000 1.162 412 D CA 1.370 55.416 54.000 0.077 0.000 0.943 412 D CB -1.225 39.613 40.800 0.064 0.000 1.122 412 D HN 0.702 nan 8.370 nan 0.000 0.413 413 I N 0.441 121.059 120.570 0.079 0.000 2.194 413 I HA -0.309 3.861 4.170 -0.000 0.000 0.246 413 I C 1.583 177.749 176.117 0.083 0.000 1.093 413 I CA 1.609 62.953 61.300 0.074 0.000 1.355 413 I CB 0.069 38.111 38.000 0.070 0.000 1.046 413 I HN 0.022 nan 8.210 nan 0.000 0.413 414 N N 1.233 119.996 118.700 0.104 0.000 2.398 414 N HA 0.134 4.874 4.740 -0.000 0.000 0.188 414 N C 0.441 176.027 175.510 0.127 0.000 1.122 414 N CA 0.641 53.760 53.050 0.114 0.000 0.866 414 N CB -0.027 38.543 38.487 0.138 0.000 0.970 414 N HN 0.373 nan 8.380 nan 0.000 0.462 415 A N 0.000 122.893 122.820 0.122 0.000 2.254 415 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 415 A CA 0.000 52.112 52.037 0.125 0.000 0.836 415 A CB 0.000 19.073 19.000 0.121 0.000 0.831 415 A HN 0.000 nan 8.150 nan 0.000 0.486