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 1o00_1_A DATA FIRST_RESID 7 DATA SEQUENCE AVPAPNQQPE VFCNQIFINN EWHDAVSRKT FPTVNPSTGE VICQVAEGDK DATA SEQUENCE EDVDKAVKAA RAAFQLGSPW RRMDASHRGR LLNRLADLIE RDRTYLAALE DATA SEQUENCE TLDNGKPYVI SYLVDLDMVL KCLRYYAGWA DKYHGKTIPI DGDFFSYTRH DATA SEQUENCE EPVGVCGQII PWNFPLLMQA WKLGPALATG NVVVMKVAEQ TPLTALYVAN DATA SEQUENCE LIKEAGFPPG VVNIVPGFGP TAGAAIASHE DVDKVAFTGS TEIGRVIQVA DATA SEQUENCE AGSSNLKRVT LELGGKSPNI IMSDADMDWA VEQAHFALFF NQGQCCCAGS DATA SEQUENCE RTFVQEDIYD EFVERSVARA KSRVVGNPFD SKTEQGPQVD ETQFKKILGY DATA SEQUENCE INTGKQEGAK LLCGGGIAAD RGYFIQPTVF GDVQDGMTIA KEEIFGPVMQ DATA SEQUENCE ILKFKTIEEV VGRANNSTYG LAAAVFTKDL DKANYLSQAL QAGTVWVNCY DATA SEQUENCE DVFGAQSPFG GYKMSGSGRE LGEYGLQAYT EVKTVTVKVP QKNS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 A HA 0.000 nan 4.320 nan 0.000 0.244 7 A C 0.000 177.575 177.584 -0.015 0.000 1.274 7 A CA 0.000 52.050 52.037 0.022 0.000 0.836 7 A CB 0.000 19.019 19.000 0.031 0.000 0.831 8 V N 3.853 123.728 119.914 -0.064 0.000 2.407 8 V HA 0.503 4.623 4.120 -0.000 0.000 0.278 8 V C -1.724 174.268 176.094 -0.171 0.000 1.037 8 V CA -1.311 60.847 62.300 -0.237 0.000 0.900 8 V CB 1.148 32.855 31.823 -0.193 0.000 0.983 8 V HN 0.793 nan 8.190 nan 0.000 0.459 9 P HA 0.209 nan 4.420 nan 0.000 0.268 9 P C -0.220 177.091 177.300 0.018 0.000 1.205 9 P CA -0.123 62.925 63.100 -0.087 0.000 0.771 9 P CB 0.511 32.168 31.700 -0.072 0.000 0.858 10 A N 5.526 128.345 122.820 -0.000 0.000 2.545 10 A HA 0.280 4.600 4.320 -0.000 0.000 0.253 10 A C -1.441 176.074 177.584 -0.116 0.000 1.074 10 A CA -0.678 51.337 52.037 -0.038 0.000 0.760 10 A CB -1.137 17.836 19.000 -0.044 0.000 1.005 10 A HN 0.462 nan 8.150 nan 0.000 0.506 11 P HA 0.127 nan 4.420 nan 0.000 0.274 11 P C -0.773 176.315 177.300 -0.354 0.000 1.256 11 P CA -0.623 62.144 63.100 -0.555 0.000 0.795 11 P CB 0.675 31.625 31.700 -1.250 0.000 1.038 12 N N 0.841 119.359 118.700 -0.304 0.000 2.609 12 N HA 0.052 4.792 4.740 -0.000 0.000 0.234 12 N C 0.792 176.005 175.510 -0.496 0.000 1.001 12 N CA -0.122 52.765 53.050 -0.271 0.000 0.926 12 N CB 0.370 38.795 38.487 -0.105 0.000 1.130 12 N HN 0.221 nan 8.380 nan 0.000 0.510 13 Q N 0.914 120.263 119.800 -0.752 0.000 2.515 13 Q HA -0.065 4.275 4.340 -0.000 0.000 0.215 13 Q C -0.279 175.266 176.000 -0.758 0.000 0.983 13 Q CA 0.956 55.958 55.803 -1.336 0.000 0.905 13 Q CB 0.261 28.395 28.738 -1.007 0.000 0.961 13 Q HN 0.544 nan 8.270 nan 0.000 0.503 14 Q N -0.021 119.536 119.800 -0.406 0.000 3.300 14 Q HA 0.298 4.638 4.340 -0.000 0.000 0.271 14 Q C -2.567 173.345 176.000 -0.147 0.000 0.926 14 Q CA -1.629 54.040 55.803 -0.224 0.000 0.788 14 Q CB 1.363 29.994 28.738 -0.178 0.000 1.385 14 Q HN 0.099 nan 8.270 nan 0.000 0.424 15 P HA 0.033 nan 4.420 nan 0.000 0.271 15 P C -0.047 177.222 177.300 -0.051 0.000 1.216 15 P CA -0.058 63.027 63.100 -0.024 0.000 0.776 15 P CB 0.969 32.609 31.700 -0.100 0.000 0.881 16 E N 1.846 122.011 120.200 -0.058 0.000 2.331 16 E HA 0.217 4.567 4.350 -0.000 0.000 0.272 16 E C -0.949 175.366 176.600 -0.476 0.000 1.036 16 E CA -0.628 55.570 56.400 -0.336 0.000 0.864 16 E CB 0.620 30.000 29.700 -0.533 0.000 1.035 16 E HN 0.099 nan 8.360 nan 0.000 0.408 17 V N 6.169 125.809 119.914 -0.456 0.000 2.364 17 V HA 0.119 4.239 4.120 -0.000 0.000 0.272 17 V C 0.043 175.873 176.094 -0.441 0.000 1.036 17 V CA -0.059 62.052 62.300 -0.315 0.000 0.880 17 V CB 0.644 32.360 31.823 -0.179 0.000 0.991 17 V HN 0.710 nan 8.190 nan 0.000 0.460 18 F N 1.815 121.779 119.950 0.024 0.000 2.717 18 F HA 0.250 4.777 4.527 -0.000 0.000 0.295 18 F C 0.952 176.642 175.800 -0.183 0.000 1.117 18 F CA -0.043 57.935 58.000 -0.037 0.000 1.361 18 F CB 0.398 39.425 39.000 0.046 0.000 1.112 18 F HN 0.382 nan 8.300 nan 0.000 0.594 19 C N 1.862 121.138 119.300 -0.039 0.000 2.431 19 C HA 0.441 4.901 4.460 -0.000 0.000 0.321 19 C C 0.218 175.040 174.990 -0.280 0.000 1.202 19 C CA -0.871 57.897 59.018 -0.417 0.000 1.398 19 C CB 0.685 28.154 27.740 -0.452 0.000 2.047 19 C HN 0.533 nan 8.230 nan 0.000 0.465 20 N N 1.151 119.659 118.700 -0.320 0.000 2.361 20 N HA 0.067 4.807 4.740 -0.000 0.000 0.253 20 N C -0.507 174.978 175.510 -0.043 0.000 1.413 20 N CA -0.263 52.700 53.050 -0.146 0.000 0.821 20 N CB 0.009 38.407 38.487 -0.150 0.000 1.380 20 N HN 0.802 nan 8.380 nan 0.000 0.493 21 Q N -0.097 119.736 119.800 0.055 0.000 2.962 21 Q HA 0.591 4.931 4.340 -0.000 0.000 0.282 21 Q C -0.531 175.795 176.000 0.543 0.000 1.058 21 Q CA -0.981 54.998 55.803 0.295 0.000 0.854 21 Q CB 1.833 30.777 28.738 0.343 0.000 1.441 21 Q HN 0.122 nan 8.270 nan 0.000 0.497 22 I N 1.186 122.049 120.570 0.488 0.000 2.395 22 I HA 0.183 4.352 4.170 -0.000 0.000 0.289 22 I C -0.824 175.538 176.117 0.407 0.000 1.023 22 I CA -0.195 61.341 61.300 0.394 0.000 1.350 22 I CB 0.512 38.653 38.000 0.236 0.000 1.409 22 I HN 0.369 nan 8.210 nan 0.000 0.507 23 F N 8.241 128.199 119.950 0.014 0.000 2.334 23 F HA 0.585 5.112 4.527 -0.000 0.000 0.367 23 F C -0.477 175.196 175.800 -0.212 0.000 1.115 23 F CA -0.370 57.415 58.000 -0.358 0.000 1.116 23 F CB 0.309 38.935 39.000 -0.623 0.000 1.230 23 F HN 0.187 nan 8.300 nan 0.000 0.484 24 I N 5.661 125.960 120.570 -0.452 0.000 2.534 24 I HA 0.213 4.383 4.170 -0.000 0.000 0.288 24 I C -0.381 175.484 176.117 -0.420 0.000 1.077 24 I CA -1.004 60.048 61.300 -0.413 0.000 1.051 24 I CB 1.753 39.477 38.000 -0.460 0.000 1.234 24 I HN 0.486 nan 8.210 nan 0.000 0.425 25 N N 4.784 123.244 118.700 -0.400 0.000 2.740 25 N HA -0.237 4.503 4.740 -0.000 0.000 0.248 25 N C 0.038 175.292 175.510 -0.427 0.000 1.062 25 N CA 1.235 54.103 53.050 -0.303 0.000 0.704 25 N CB -1.057 37.340 38.487 -0.150 0.000 0.968 25 N HN 0.945 nan 8.380 nan 0.000 0.547 26 N N -1.509 116.702 118.700 -0.816 0.000 2.708 26 N HA -0.250 4.490 4.740 -0.000 0.000 0.251 26 N C -0.803 174.276 175.510 -0.718 0.000 1.123 26 N CA 1.382 53.941 53.050 -0.818 0.000 0.739 26 N CB -0.371 37.977 38.487 -0.232 0.000 1.113 26 N HN 0.634 nan 8.380 nan 0.000 0.561 27 E N -1.041 118.666 120.200 -0.822 0.000 2.369 27 E HA 0.419 4.768 4.350 -0.000 0.000 0.270 27 E C -1.026 175.218 176.600 -0.594 0.000 0.909 27 E CA -0.735 55.354 56.400 -0.519 0.000 0.775 27 E CB 1.144 30.655 29.700 -0.316 0.000 1.270 27 E HN 0.129 nan 8.360 nan 0.000 0.445 28 W N 1.682 122.888 121.300 -0.157 0.000 2.361 28 W HA 0.319 4.979 4.660 -0.000 0.000 0.309 28 W C 0.177 176.569 176.519 -0.210 0.000 1.122 28 W CA -0.316 57.017 57.345 -0.019 0.000 1.208 28 W CB 0.854 30.354 29.460 0.067 0.000 1.246 28 W HN 0.280 nan 8.180 nan 0.000 0.490 29 H N 1.785 121.015 119.070 0.267 0.000 2.690 29 H HA 0.238 4.794 4.556 -0.000 0.000 0.368 29 H C -0.675 174.758 175.328 0.175 0.000 1.150 29 H CA -1.005 55.140 56.048 0.162 0.000 1.174 29 H CB 2.020 31.828 29.762 0.078 0.000 1.684 29 H HN 0.232 nan 8.280 nan 0.000 0.538 30 D N 0.729 121.273 120.400 0.240 0.000 2.354 30 D HA 0.278 4.918 4.640 -0.000 0.000 0.247 30 D C 0.290 176.694 176.300 0.172 0.000 1.138 30 D CA -0.394 53.712 54.000 0.177 0.000 0.958 30 D CB 1.346 42.220 40.800 0.123 0.000 1.144 30 D HN 0.611 nan 8.370 nan 0.000 0.458 31 A N 0.902 123.812 122.820 0.149 0.000 2.483 31 A HA 0.102 4.422 4.320 -0.000 0.000 0.238 31 A C 1.570 179.217 177.584 0.105 0.000 1.070 31 A CA -0.429 51.685 52.037 0.129 0.000 0.770 31 A CB 0.331 19.411 19.000 0.134 0.000 1.008 31 A HN 0.427 nan 8.150 nan 0.000 0.497 32 V N 2.487 122.453 119.914 0.087 0.000 2.380 32 V HA -0.274 3.846 4.120 -0.000 0.000 0.251 32 V C 2.760 178.894 176.094 0.068 0.000 1.063 32 V CA 2.820 65.162 62.300 0.071 0.000 1.055 32 V CB -0.935 30.920 31.823 0.055 0.000 0.657 32 V HN 1.141 nan 8.190 nan 0.000 0.455 33 S N -1.092 114.651 115.700 0.073 0.000 2.481 33 S HA -0.147 4.323 4.470 -0.000 0.000 0.231 33 S C 1.347 175.991 174.600 0.073 0.000 0.996 33 S CA 0.514 58.755 58.200 0.069 0.000 0.942 33 S CB -0.128 63.117 63.200 0.076 0.000 0.768 33 S HN 0.527 nan 8.310 nan 0.000 0.520 34 R N -0.098 120.452 120.500 0.083 0.000 3.922 34 R HA -0.096 4.244 4.340 -0.000 0.000 0.447 34 R C -0.665 175.688 176.300 0.088 0.000 1.035 34 R CA 1.215 57.364 56.100 0.081 0.000 1.289 34 R CB -2.279 28.060 30.300 0.064 0.000 1.906 34 R HN 0.600 nan 8.270 nan 0.000 0.540 35 K N 1.324 121.787 120.400 0.104 0.000 2.202 35 K HA 0.316 4.636 4.320 -0.000 0.000 0.264 35 K C 0.841 177.536 176.600 0.159 0.000 1.010 35 K CA 0.614 56.976 56.287 0.125 0.000 0.940 35 K CB 0.778 33.360 32.500 0.137 0.000 0.983 35 K HN 0.259 nan 8.250 nan 0.000 0.475 36 T N -1.250 113.405 114.554 0.168 0.000 2.896 36 T HA 0.666 5.016 4.350 -0.000 0.000 0.297 36 T C -0.833 174.025 174.700 0.262 0.000 1.108 36 T CA -1.054 61.150 62.100 0.173 0.000 1.004 36 T CB 0.745 69.641 68.868 0.047 0.000 1.159 36 T HN 0.507 nan 8.240 nan 0.000 0.499 37 F N -0.485 119.496 119.950 0.051 0.000 2.565 37 F HA 0.853 5.380 4.527 -0.000 0.000 0.313 37 F C -3.043 172.776 175.800 0.030 0.000 1.091 37 F CA -2.871 55.174 58.000 0.075 0.000 0.915 37 F CB 1.683 40.730 39.000 0.078 0.000 1.208 37 F HN 0.413 nan 8.300 nan 0.000 0.453 38 P HA 0.157 nan 4.420 nan 0.000 0.278 38 P C -0.901 176.372 177.300 -0.045 0.000 1.238 38 P CA -0.137 62.931 63.100 -0.054 0.000 0.794 38 P CB 1.919 33.639 31.700 0.033 0.000 0.955 39 T N 1.786 116.270 114.554 -0.117 0.000 2.786 39 T HA 0.392 4.742 4.350 -0.000 0.000 0.283 39 T C -0.480 174.200 174.700 -0.035 0.000 0.992 39 T CA -0.508 61.555 62.100 -0.061 0.000 0.954 39 T CB 0.233 69.030 68.868 -0.118 0.000 0.934 39 T HN 0.072 nan 8.240 nan 0.000 0.440 40 V N 5.412 125.325 119.914 -0.001 0.000 2.716 40 V HA 0.477 4.597 4.120 -0.000 0.000 0.304 40 V C 0.546 176.633 176.094 -0.012 0.000 1.053 40 V CA -1.115 61.186 62.300 0.002 0.000 0.984 40 V CB 1.634 33.485 31.823 0.046 0.000 1.021 40 V HN 0.854 nan 8.190 nan 0.000 0.467 41 N N 4.079 122.765 118.700 -0.024 0.000 2.420 41 N HA 0.301 5.041 4.740 -0.000 0.000 0.249 41 N C -1.960 173.509 175.510 -0.068 0.000 1.033 41 N CA -2.173 50.853 53.050 -0.039 0.000 0.944 41 N CB 1.818 40.287 38.487 -0.030 0.000 1.113 41 N HN 0.226 nan 8.380 nan 0.000 0.502 42 P HA -0.023 nan 4.420 nan 0.000 0.222 42 P C 0.756 177.841 177.300 -0.359 0.000 1.147 42 P CA 0.937 63.973 63.100 -0.107 0.000 0.790 42 P CB 0.391 32.045 31.700 -0.076 0.000 0.780 43 S N -1.461 114.104 115.700 -0.225 0.000 2.453 43 S HA -0.060 4.410 4.470 -0.000 0.000 0.231 43 S C 1.691 176.268 174.600 -0.037 0.000 1.005 43 S CA 1.736 59.873 58.200 -0.105 0.000 0.949 43 S CB -0.760 62.474 63.200 0.056 0.000 0.774 43 S HN 0.401 nan 8.310 nan 0.000 0.510 44 T N -3.749 110.726 114.554 -0.131 0.000 2.966 44 T HA 0.464 4.814 4.350 -0.000 0.000 0.254 44 T C 1.449 176.025 174.700 -0.207 0.000 0.961 44 T CA 0.811 62.838 62.100 -0.122 0.000 0.915 44 T CB 0.408 69.239 68.868 -0.062 0.000 1.186 44 T HN 0.470 nan 8.240 nan 0.000 0.505 45 G N 1.547 110.185 108.800 -0.270 0.000 2.176 45 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.253 45 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.253 45 G C -0.201 174.651 174.900 -0.081 0.000 0.979 45 G CA 0.109 45.066 45.100 -0.238 0.000 0.641 45 G HN 0.611 nan 8.290 nan 0.000 0.530 46 E N -0.033 120.124 120.200 -0.072 0.000 2.283 46 E HA 0.527 4.877 4.350 -0.000 0.000 0.271 46 E C 0.621 177.203 176.600 -0.031 0.000 1.031 46 E CA -0.730 55.644 56.400 -0.043 0.000 0.868 46 E CB 1.777 31.449 29.700 -0.046 0.000 1.094 46 E HN 0.147 nan 8.360 nan 0.000 0.401 47 V N 3.690 123.589 119.914 -0.025 0.000 2.572 47 V HA 0.021 4.141 4.120 -0.000 0.000 0.291 47 V C 1.690 177.757 176.094 -0.045 0.000 1.039 47 V CA 0.265 62.548 62.300 -0.028 0.000 1.055 47 V CB 0.335 32.144 31.823 -0.024 0.000 0.969 47 V HN 0.607 nan 8.190 nan 0.000 0.482 48 I N 3.784 124.322 120.570 -0.055 0.000 2.296 48 I HA 0.047 4.217 4.170 -0.000 0.000 0.242 48 I C 0.949 177.015 176.117 -0.084 0.000 1.087 48 I CA 1.243 62.503 61.300 -0.067 0.000 1.393 48 I CB 0.221 38.180 38.000 -0.068 0.000 1.093 48 I HN 0.877 nan 8.210 nan 0.000 0.421 49 C N -2.177 117.063 119.300 -0.099 0.000 3.165 49 C HA 0.396 4.856 4.460 -0.000 0.000 0.345 49 C C -1.249 173.650 174.990 -0.152 0.000 1.367 49 C CA -1.212 57.737 59.018 -0.115 0.000 1.205 49 C CB 1.251 28.916 27.740 -0.126 0.000 1.447 49 C HN 0.149 nan 8.230 nan 0.000 0.451 50 Q N 0.476 120.185 119.800 -0.153 0.000 2.227 50 Q HA 0.773 5.113 4.340 -0.000 0.000 0.245 50 Q C -0.673 175.158 176.000 -0.282 0.000 0.926 50 Q CA -0.251 55.432 55.803 -0.199 0.000 0.895 50 Q CB 1.921 30.594 28.738 -0.109 0.000 1.230 50 Q HN 0.759 nan 8.270 nan 0.000 0.450 51 V N 0.540 120.169 119.914 -0.475 0.000 2.760 51 V HA 0.478 4.598 4.120 -0.000 0.000 0.309 51 V C -0.454 175.484 176.094 -0.259 0.000 1.077 51 V CA -1.266 60.746 62.300 -0.480 0.000 0.910 51 V CB 1.882 33.193 31.823 -0.852 0.000 1.008 51 V HN 0.901 nan 8.190 nan 0.000 0.424 52 A N 2.672 125.494 122.820 0.003 0.000 2.567 52 A HA 0.160 4.480 4.320 -0.000 0.000 0.240 52 A C 0.427 178.212 177.584 0.336 0.000 1.053 52 A CA 0.340 52.471 52.037 0.157 0.000 0.755 52 A CB -0.089 19.017 19.000 0.177 0.000 0.978 52 A HN 0.897 nan 8.150 nan 0.000 0.507 53 E N 2.934 123.342 120.200 0.347 0.000 1.924 53 E HA 0.336 4.686 4.350 -0.000 0.000 0.261 53 E C 0.702 177.405 176.600 0.172 0.000 1.088 53 E CA -0.268 56.327 56.400 0.324 0.000 0.909 53 E CB 0.114 30.013 29.700 0.331 0.000 1.112 53 E HN 0.822 nan 8.360 nan 0.000 0.425 54 G N 3.263 112.146 108.800 0.139 0.000 2.491 54 G HA2 0.023 3.983 3.960 -0.000 0.000 0.242 54 G HA3 0.023 3.983 3.960 -0.000 0.000 0.242 54 G C -0.230 174.716 174.900 0.076 0.000 1.266 54 G CA -0.179 44.983 45.100 0.102 0.000 0.844 54 G HN 0.550 nan 8.290 nan 0.000 0.571 55 D N -0.408 120.037 120.400 0.075 0.000 2.837 55 D HA 0.194 4.834 4.640 -0.000 0.000 0.294 55 D C 1.349 177.685 176.300 0.061 0.000 1.158 55 D CA -0.792 53.250 54.000 0.070 0.000 1.073 55 D CB 1.438 42.281 40.800 0.072 0.000 1.419 55 D HN 0.275 nan 8.370 nan 0.000 0.584 56 K N 0.339 120.771 120.400 0.055 0.000 2.044 56 K HA -0.176 4.144 4.320 -0.000 0.000 0.210 56 K C 1.526 178.159 176.600 0.055 0.000 1.049 56 K CA 1.723 58.042 56.287 0.054 0.000 0.927 56 K CB 0.033 32.554 32.500 0.035 0.000 0.713 56 K HN 0.313 nan 8.250 nan 0.000 0.443 57 E N 0.125 120.352 120.200 0.045 0.000 2.153 57 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 57 E C 1.609 178.229 176.600 0.034 0.000 0.988 57 E CA 1.226 57.650 56.400 0.039 0.000 0.811 57 E CB 0.043 29.763 29.700 0.034 0.000 0.746 57 E HN 0.442 nan 8.360 nan 0.000 0.466 58 D N 0.224 120.646 120.400 0.037 0.000 2.123 58 D HA -0.097 4.543 4.640 -0.000 0.000 0.200 58 D C 2.110 178.415 176.300 0.008 0.000 0.976 58 D CA 0.711 54.722 54.000 0.019 0.000 0.831 58 D CB 0.021 40.847 40.800 0.043 0.000 0.974 58 D HN 0.047 nan 8.370 nan 0.000 0.469 59 V N 2.037 121.972 119.914 0.036 0.000 2.407 59 V HA -0.208 3.912 4.120 -0.000 0.000 0.248 59 V C 1.908 178.022 176.094 0.033 0.000 1.055 59 V CA 1.631 63.952 62.300 0.035 0.000 1.049 59 V CB -0.394 31.474 31.823 0.075 0.000 0.662 59 V HN 0.025 nan 8.190 nan 0.000 0.455 60 D N 0.110 120.561 120.400 0.085 0.000 2.117 60 D HA -0.155 4.485 4.640 -0.000 0.000 0.197 60 D C 2.262 178.581 176.300 0.033 0.000 0.987 60 D CA 1.240 55.317 54.000 0.128 0.000 0.829 60 D CB -0.179 40.693 40.800 0.120 0.000 0.961 60 D HN 0.424 nan 8.370 nan 0.000 0.460 61 K N 0.527 120.919 120.400 -0.012 0.000 2.097 61 K HA -0.007 4.313 4.320 -0.000 0.000 0.205 61 K C 2.121 178.663 176.600 -0.096 0.000 1.050 61 K CA 1.070 57.319 56.287 -0.063 0.000 0.938 61 K CB -0.041 32.394 32.500 -0.109 0.000 0.718 61 K HN 0.019 nan 8.250 nan 0.000 0.442 62 A N 0.943 123.705 122.820 -0.097 0.000 1.902 62 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 62 A C 2.358 179.875 177.584 -0.112 0.000 1.181 62 A CA 1.408 53.380 52.037 -0.109 0.000 0.623 62 A CB -0.668 18.285 19.000 -0.080 0.000 0.818 62 A HN 0.066 nan 8.150 nan 0.000 0.443 63 V N 0.251 120.081 119.914 -0.140 0.000 2.343 63 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 63 V C 2.422 178.444 176.094 -0.120 0.000 1.051 63 V CA 2.331 64.505 62.300 -0.209 0.000 1.036 63 V CB -0.692 30.827 31.823 -0.506 0.000 0.654 63 V HN 0.542 nan 8.190 nan 0.000 0.451 64 K N 0.275 120.634 120.400 -0.068 0.000 2.097 64 K HA -0.097 4.223 4.320 -0.000 0.000 0.206 64 K C 2.322 178.906 176.600 -0.025 0.000 1.049 64 K CA 1.397 57.669 56.287 -0.024 0.000 0.933 64 K CB -0.387 32.110 32.500 -0.005 0.000 0.717 64 K HN 0.477 nan 8.250 nan 0.000 0.442 65 A N 1.658 124.446 122.820 -0.054 0.000 1.877 65 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 65 A C 2.403 179.966 177.584 -0.034 0.000 1.186 65 A CA 1.838 53.841 52.037 -0.056 0.000 0.620 65 A CB -0.701 18.237 19.000 -0.103 0.000 0.822 65 A HN 0.322 nan 8.150 nan 0.000 0.443 66 A N -0.242 122.550 122.820 -0.047 0.000 1.902 66 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 66 A C 2.185 179.800 177.584 0.052 0.000 1.181 66 A CA 2.167 54.190 52.037 -0.024 0.000 0.623 66 A CB -0.448 18.512 19.000 -0.065 0.000 0.818 66 A HN 0.466 nan 8.150 nan 0.000 0.443 67 R N 0.318 120.840 120.500 0.036 0.000 2.081 67 R HA -0.033 4.307 4.340 -0.000 0.000 0.235 67 R C 2.124 178.512 176.300 0.147 0.000 1.131 67 R CA 2.032 58.193 56.100 0.101 0.000 0.960 67 R CB -0.968 29.365 30.300 0.056 0.000 0.856 67 R HN 0.381 nan 8.270 nan 0.000 0.436 68 A N 0.248 123.120 122.820 0.087 0.000 1.902 68 A HA -0.037 4.283 4.320 -0.000 0.000 0.217 68 A C 2.344 179.991 177.584 0.105 0.000 1.181 68 A CA 1.811 53.895 52.037 0.078 0.000 0.623 68 A CB -1.058 17.966 19.000 0.040 0.000 0.818 68 A HN 0.492 nan 8.150 nan 0.000 0.443 69 A N -2.230 120.658 122.820 0.114 0.000 2.121 69 A HA 0.074 4.394 4.320 -0.000 0.000 0.218 69 A C 1.745 179.490 177.584 0.269 0.000 1.154 69 A CA 1.235 53.359 52.037 0.146 0.000 0.679 69 A CB -0.533 18.512 19.000 0.074 0.000 0.795 69 A HN 0.601 nan 8.150 nan 0.000 0.458 70 F N 0.245 120.270 119.950 0.124 0.000 2.765 70 F HA 0.198 4.725 4.527 -0.000 0.000 0.302 70 F C 0.743 176.614 175.800 0.119 0.000 1.111 70 F CA -0.217 57.881 58.000 0.164 0.000 1.359 70 F CB 0.146 39.226 39.000 0.134 0.000 1.097 70 F HN 0.091 nan 8.300 nan 0.000 0.577 71 Q N 1.506 121.347 119.800 0.069 0.000 2.395 71 Q HA 0.036 4.376 4.340 -0.000 0.000 0.271 71 Q C -0.260 175.680 176.000 -0.100 0.000 1.026 71 Q CA -0.134 55.666 55.803 -0.005 0.000 0.900 71 Q CB 0.814 29.576 28.738 0.039 0.000 1.266 71 Q HN 0.241 nan 8.270 nan 0.000 0.430 72 L N 1.379 122.539 121.223 -0.104 0.000 2.559 72 L HA 0.174 4.514 4.340 -0.000 0.000 0.274 72 L C 1.189 178.024 176.870 -0.059 0.000 1.205 72 L CA 2.055 56.830 54.840 -0.108 0.000 0.907 72 L CB 0.099 42.117 42.059 -0.069 0.000 1.153 72 L HN 0.909 nan 8.230 nan 0.000 0.490 73 G N 1.930 110.694 108.800 -0.060 0.000 2.175 73 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.244 73 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.244 73 G C 0.293 175.187 174.900 -0.010 0.000 0.982 73 G CA 0.288 45.370 45.100 -0.030 0.000 0.641 73 G HN 1.067 nan 8.290 nan 0.000 0.527 74 S N 0.058 115.756 115.700 -0.004 0.000 2.624 74 S HA 0.625 5.095 4.470 -0.000 0.000 0.263 74 S C -0.736 173.904 174.600 0.066 0.000 1.287 74 S CA -0.442 57.784 58.200 0.043 0.000 0.990 74 S CB 2.014 65.260 63.200 0.077 0.000 0.950 74 S HN -0.027 nan 8.310 nan 0.000 0.561 75 P HA -0.088 nan 4.420 nan 0.000 0.216 75 P C 1.215 178.635 177.300 0.201 0.000 1.150 75 P CA 1.081 64.256 63.100 0.124 0.000 0.837 75 P CB -0.068 31.713 31.700 0.135 0.000 0.786 76 W N 0.088 121.411 121.300 0.040 0.000 2.418 76 W HA -0.112 4.548 4.660 -0.000 0.000 0.292 76 W C 1.610 178.150 176.519 0.035 0.000 1.213 76 W CA 0.651 58.037 57.345 0.068 0.000 1.283 76 W CB -0.064 29.463 29.460 0.112 0.000 1.119 76 W HN -0.159 nan 8.180 nan 0.000 0.542 77 R N 0.381 120.868 120.500 -0.021 0.000 2.119 77 R HA -0.022 4.317 4.340 -0.000 0.000 0.222 77 R C 2.073 178.275 176.300 -0.163 0.000 1.088 77 R CA 0.907 56.893 56.100 -0.190 0.000 0.984 77 R CB -0.591 29.584 30.300 -0.207 0.000 0.884 77 R HN 0.304 nan 8.270 nan 0.000 0.447 78 R N -0.291 120.153 120.500 -0.092 0.000 2.210 78 R HA 0.168 4.508 4.340 -0.000 0.000 0.203 78 R C 1.079 177.328 176.300 -0.085 0.000 1.010 78 R CA -0.181 55.874 56.100 -0.075 0.000 1.008 78 R CB -0.008 30.267 30.300 -0.041 0.000 0.923 78 R HN 0.096 nan 8.270 nan 0.000 0.469 79 M N 2.329 121.871 119.600 -0.098 0.000 2.261 79 M HA -0.072 4.407 4.480 -0.000 0.000 0.350 79 M C -0.650 175.587 176.300 -0.103 0.000 1.343 79 M CA 0.507 55.755 55.300 -0.086 0.000 1.003 79 M CB 0.470 33.033 32.600 -0.060 0.000 1.848 79 M HN -0.043 nan 8.290 nan 0.000 0.456 80 D N 4.078 124.448 120.400 -0.050 0.000 2.488 80 D HA 0.041 4.681 4.640 -0.000 0.000 0.238 80 D C 0.818 177.106 176.300 -0.020 0.000 1.138 80 D CA 0.557 54.541 54.000 -0.025 0.000 0.873 80 D CB 1.051 41.852 40.800 0.002 0.000 1.183 80 D HN 0.782 nan 8.370 nan 0.000 0.458 81 A N 2.575 125.378 122.820 -0.028 0.000 1.940 81 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 81 A C 2.146 179.737 177.584 0.011 0.000 1.176 81 A CA 2.205 54.228 52.037 -0.024 0.000 0.631 81 A CB -0.544 18.461 19.000 0.008 0.000 0.814 81 A HN 0.609 nan 8.150 nan 0.000 0.446 82 S N -1.159 114.560 115.700 0.031 0.000 2.399 82 S HA -0.246 4.224 4.470 -0.000 0.000 0.231 82 S C 1.854 176.486 174.600 0.052 0.000 1.022 82 S CA 1.584 59.808 58.200 0.039 0.000 0.983 82 S CB -0.715 62.509 63.200 0.040 0.000 0.803 82 S HN 0.731 nan 8.310 nan 0.000 0.480 83 H N 1.788 120.841 119.070 -0.030 0.000 2.428 83 H HA 0.203 4.758 4.556 -0.000 0.000 0.296 83 H C 2.285 177.597 175.328 -0.026 0.000 1.062 83 H CA 1.464 57.493 56.048 -0.032 0.000 1.350 83 H CB -0.077 29.660 29.762 -0.041 0.000 1.403 83 H HN 0.356 nan 8.280 nan 0.000 0.533 84 R N -0.756 119.723 120.500 -0.034 0.000 2.120 84 R HA -0.060 4.280 4.340 -0.000 0.000 0.234 84 R C 2.481 178.802 176.300 0.035 0.000 1.123 84 R CA 0.997 57.097 56.100 -0.000 0.000 0.975 84 R CB -0.411 29.872 30.300 -0.029 0.000 0.866 84 R HN 0.409 nan 8.270 nan 0.000 0.446 85 G N 1.215 110.023 108.800 0.014 0.000 2.402 85 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.216 85 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.216 85 G C 1.456 176.346 174.900 -0.018 0.000 1.162 85 G CA 0.116 45.235 45.100 0.032 0.000 0.777 85 G HN 0.111 nan 8.290 nan 0.000 0.539 86 R N 0.264 120.700 120.500 -0.106 0.000 2.091 86 R HA 0.055 4.394 4.340 -0.000 0.000 0.238 86 R C 2.627 178.812 176.300 -0.192 0.000 1.136 86 R CA 0.637 56.642 56.100 -0.157 0.000 0.959 86 R CB -1.098 29.050 30.300 -0.253 0.000 0.856 86 R HN 0.399 nan 8.270 nan 0.000 0.437 87 L N 0.412 121.449 121.223 -0.310 0.000 2.046 87 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 87 L C 2.531 179.389 176.870 -0.020 0.000 1.077 87 L CA 1.027 55.647 54.840 -0.368 0.000 0.747 87 L CB -0.500 41.052 42.059 -0.846 0.000 0.896 87 L HN 0.115 nan 8.230 nan 0.000 0.432 88 L N -0.281 121.036 121.223 0.157 0.000 2.046 88 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 88 L C 2.416 179.390 176.870 0.173 0.000 1.077 88 L CA 1.083 56.090 54.840 0.280 0.000 0.747 88 L CB -0.540 41.674 42.059 0.258 0.000 0.896 88 L HN 0.363 nan 8.230 nan 0.000 0.432 89 N N -0.170 118.587 118.700 0.096 0.000 2.188 89 N HA -0.194 4.545 4.740 -0.000 0.000 0.184 89 N C 1.948 177.498 175.510 0.067 0.000 1.018 89 N CA 0.952 54.044 53.050 0.071 0.000 0.858 89 N CB -0.173 38.336 38.487 0.036 0.000 0.989 89 N HN 0.180 nan 8.380 nan 0.000 0.426 90 R N 1.289 121.819 120.500 0.050 0.000 2.066 90 R HA -0.016 4.324 4.340 -0.000 0.000 0.232 90 R C 2.070 178.427 176.300 0.095 0.000 1.131 90 R CA 0.821 56.950 56.100 0.049 0.000 0.955 90 R CB -0.962 29.341 30.300 0.004 0.000 0.851 90 R HN 0.154 nan 8.270 nan 0.000 0.432 91 L N 0.348 121.666 121.223 0.158 0.000 2.042 91 L HA -0.006 4.334 4.340 -0.000 0.000 0.210 91 L C 2.089 179.034 176.870 0.126 0.000 1.076 91 L CA 2.271 57.218 54.840 0.179 0.000 0.749 91 L CB -1.012 41.204 42.059 0.262 0.000 0.893 91 L HN 0.284 nan 8.230 nan 0.000 0.432 92 A N -0.899 121.994 122.820 0.120 0.000 1.902 92 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 92 A C 2.002 179.637 177.584 0.086 0.000 1.181 92 A CA 1.789 53.887 52.037 0.101 0.000 0.623 92 A CB -0.808 18.252 19.000 0.101 0.000 0.818 92 A HN 0.527 nan 8.150 nan 0.000 0.443 93 D N 0.105 120.552 120.400 0.079 0.000 2.117 93 D HA -0.109 4.531 4.640 -0.000 0.000 0.197 93 D C 1.941 178.287 176.300 0.077 0.000 0.987 93 D CA 0.996 55.037 54.000 0.069 0.000 0.829 93 D CB -0.319 40.516 40.800 0.058 0.000 0.961 93 D HN 0.458 nan 8.370 nan 0.000 0.460 94 L N 0.346 121.620 121.223 0.084 0.000 2.093 94 L HA -0.087 4.252 4.340 -0.000 0.000 0.208 94 L C 2.506 179.448 176.870 0.120 0.000 1.085 94 L CA 0.613 55.509 54.840 0.092 0.000 0.755 94 L CB -0.226 41.883 42.059 0.083 0.000 0.904 94 L HN 0.011 nan 8.230 nan 0.000 0.435 95 I N -0.226 120.415 120.570 0.118 0.000 2.315 95 I HA -0.279 3.891 4.170 -0.000 0.000 0.248 95 I C 2.565 178.754 176.117 0.119 0.000 1.117 95 I CA 1.238 62.620 61.300 0.137 0.000 1.404 95 I CB -0.137 37.930 38.000 0.111 0.000 1.071 95 I HN 0.334 nan 8.210 nan 0.000 0.419 96 E N 1.176 121.430 120.200 0.090 0.000 2.106 96 E HA -0.251 4.099 4.350 -0.000 0.000 0.192 96 E C 2.383 179.042 176.600 0.098 0.000 0.984 96 E CA 0.766 57.209 56.400 0.071 0.000 0.806 96 E CB 0.007 29.741 29.700 0.056 0.000 0.750 96 E HN 0.251 nan 8.360 nan 0.000 0.458 97 R N 0.373 120.936 120.500 0.105 0.000 2.091 97 R HA -0.144 4.196 4.340 -0.000 0.000 0.238 97 R C 0.398 176.783 176.300 0.141 0.000 1.136 97 R CA 1.855 58.020 56.100 0.110 0.000 0.959 97 R CB 0.013 30.370 30.300 0.095 0.000 0.856 97 R HN 0.136 nan 8.270 nan 0.000 0.437 98 D N -0.293 120.213 120.400 0.177 0.000 2.427 98 D HA 0.019 4.659 4.640 -0.000 0.000 0.224 98 D C 1.125 177.576 176.300 0.252 0.000 1.157 98 D CA -0.064 54.077 54.000 0.233 0.000 0.828 98 D CB 0.181 41.172 40.800 0.318 0.000 0.974 98 D HN 0.252 nan 8.370 nan 0.000 0.498 99 R N 0.580 121.197 120.500 0.195 0.000 2.096 99 R HA -0.158 4.182 4.340 -0.000 0.000 0.240 99 R C 1.439 177.907 176.300 0.281 0.000 1.139 99 R CA 1.772 57.964 56.100 0.152 0.000 0.952 99 R CB -0.119 30.200 30.300 0.031 0.000 0.854 99 R HN -0.004 nan 8.270 nan 0.000 0.436 100 T N 0.013 114.811 114.554 0.405 0.000 2.708 100 T HA -0.217 4.133 4.350 -0.000 0.000 0.266 100 T C 1.397 176.322 174.700 0.376 0.000 1.037 100 T CA 1.661 64.046 62.100 0.474 0.000 1.146 100 T CB -0.540 68.537 68.868 0.348 0.000 0.865 100 T HN 0.439 nan 8.240 nan 0.000 0.435 101 Y N 1.761 122.166 120.300 0.174 0.000 2.114 101 Y HA -0.044 4.506 4.550 -0.000 0.000 0.284 101 Y C 2.039 177.985 175.900 0.076 0.000 1.143 101 Y CA 1.078 59.230 58.100 0.086 0.000 1.135 101 Y CB -0.613 37.845 38.460 -0.002 0.000 0.980 101 Y HN 0.098 nan 8.280 nan 0.000 0.499 102 L N -0.052 121.137 121.223 -0.058 0.000 2.083 102 L HA -0.237 4.103 4.340 -0.000 0.000 0.209 102 L C 2.795 179.634 176.870 -0.052 0.000 1.083 102 L CA 1.192 55.954 54.840 -0.131 0.000 0.752 102 L CB -0.957 41.148 42.059 0.076 0.000 0.899 102 L HN 0.409 nan 8.230 nan 0.000 0.433 103 A N -0.089 122.793 122.820 0.102 0.000 1.902 103 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 103 A C 2.525 180.269 177.584 0.268 0.000 1.181 103 A CA 1.732 53.870 52.037 0.168 0.000 0.623 103 A CB -0.685 18.462 19.000 0.244 0.000 0.818 103 A HN 0.407 nan 8.150 nan 0.000 0.443 104 A N -0.612 122.417 122.820 0.348 0.000 1.877 104 A HA -0.032 4.288 4.320 -0.000 0.000 0.216 104 A C 2.129 179.795 177.584 0.137 0.000 1.186 104 A CA 1.710 53.950 52.037 0.339 0.000 0.620 104 A CB -0.634 18.463 19.000 0.163 0.000 0.822 104 A HN 0.662 nan 8.150 nan 0.000 0.443 105 L N -0.269 120.873 121.223 -0.136 0.000 2.141 105 L HA -0.107 4.233 4.340 -0.000 0.000 0.209 105 L C 2.201 179.015 176.870 -0.094 0.000 1.094 105 L CA 2.522 57.240 54.840 -0.204 0.000 0.763 105 L CB -0.463 41.302 42.059 -0.490 0.000 0.908 105 L HN 0.499 nan 8.230 nan 0.000 0.437 106 E N -1.077 119.082 120.200 -0.068 0.000 2.047 106 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 106 E C 2.042 178.596 176.600 -0.076 0.000 0.987 106 E CA 1.938 58.306 56.400 -0.054 0.000 0.799 106 E CB -0.311 29.366 29.700 -0.038 0.000 0.752 106 E HN 0.451 nan 8.360 nan 0.000 0.449 107 T N 0.738 115.238 114.554 -0.090 0.000 2.777 107 T HA -0.127 4.223 4.350 -0.000 0.000 0.266 107 T C 1.712 176.293 174.700 -0.199 0.000 1.040 107 T CA 1.125 63.091 62.100 -0.223 0.000 1.141 107 T CB -0.351 68.238 68.868 -0.465 0.000 0.868 107 T HN 0.106 nan 8.240 nan 0.000 0.444 108 L N 1.331 122.526 121.223 -0.046 0.000 2.012 108 L HA -0.105 4.235 4.340 -0.000 0.000 0.210 108 L C 2.015 178.874 176.870 -0.019 0.000 1.073 108 L CA 1.907 56.780 54.840 0.056 0.000 0.748 108 L CB -0.377 41.753 42.059 0.118 0.000 0.891 108 L HN 0.103 nan 8.230 nan 0.000 0.431 109 D N -1.931 118.445 120.400 -0.040 0.000 2.305 109 D HA -0.120 4.520 4.640 -0.000 0.000 0.206 109 D C 1.835 178.102 176.300 -0.055 0.000 0.974 109 D CA 0.536 54.510 54.000 -0.043 0.000 0.871 109 D CB 0.054 40.834 40.800 -0.032 0.000 0.947 109 D HN 0.414 nan 8.370 nan 0.000 0.516 110 N N -0.682 117.974 118.700 -0.074 0.000 2.436 110 N HA -0.004 4.736 4.740 -0.000 0.000 0.178 110 N C 1.369 176.800 175.510 -0.131 0.000 1.026 110 N CA 1.571 54.571 53.050 -0.083 0.000 0.880 110 N CB 0.833 39.268 38.487 -0.086 0.000 1.061 110 N HN 0.240 nan 8.380 nan 0.000 0.434 111 G N 1.456 110.159 108.800 -0.162 0.000 2.253 111 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.209 111 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.209 111 G C -0.054 174.722 174.900 -0.207 0.000 0.997 111 G CA 0.342 45.324 45.100 -0.196 0.000 0.640 111 G HN 0.668 nan 8.290 nan 0.000 0.496 112 K N 1.126 121.398 120.400 -0.213 0.000 2.380 112 K HA 0.468 4.788 4.320 -0.000 0.000 0.267 112 K C -2.691 173.797 176.600 -0.186 0.000 0.990 112 K CA -1.187 54.970 56.287 -0.217 0.000 0.946 112 K CB 0.471 32.805 32.500 -0.277 0.000 0.937 112 K HN 0.081 nan 8.250 nan 0.000 0.491 113 P HA -0.102 nan 4.420 nan 0.000 0.265 113 P C -0.334 176.928 177.300 -0.064 0.000 1.193 113 P CA -0.065 62.987 63.100 -0.080 0.000 0.765 113 P CB 0.150 31.842 31.700 -0.013 0.000 0.823 114 Y N 4.645 124.829 120.300 -0.194 0.000 2.165 114 Y HA -0.257 4.293 4.550 -0.000 0.000 0.286 114 Y C 1.793 177.714 175.900 0.035 0.000 1.155 114 Y CA 1.774 59.808 58.100 -0.110 0.000 1.164 114 Y CB -0.904 37.515 38.460 -0.068 0.000 0.978 114 Y HN 0.079 nan 8.280 nan 0.000 0.513 115 V N 0.421 120.282 119.914 -0.088 0.000 2.392 115 V HA -0.331 3.789 4.120 -0.000 0.000 0.249 115 V C 2.346 178.411 176.094 -0.049 0.000 1.059 115 V CA 1.821 64.055 62.300 -0.110 0.000 1.051 115 V CB -0.653 31.190 31.823 0.033 0.000 0.658 115 V HN 0.442 nan 8.190 nan 0.000 0.455 116 I N -0.345 120.224 120.570 -0.002 0.000 2.286 116 I HA -0.113 4.057 4.170 -0.000 0.000 0.245 116 I C 2.579 178.712 176.117 0.027 0.000 1.104 116 I CA 1.301 62.642 61.300 0.067 0.000 1.397 116 I CB -1.403 36.654 38.000 0.095 0.000 1.072 116 I HN 0.256 nan 8.210 nan 0.000 0.417 117 S N 0.230 115.900 115.700 -0.051 0.000 2.359 117 S HA -0.236 4.234 4.470 -0.000 0.000 0.224 117 S C 2.032 176.601 174.600 -0.052 0.000 1.035 117 S CA 1.471 59.640 58.200 -0.052 0.000 1.018 117 S CB -0.453 62.712 63.200 -0.057 0.000 0.876 117 S HN 0.449 nan 8.310 nan 0.000 0.448 118 Y N 1.726 121.861 120.300 -0.276 0.000 2.130 118 Y HA 0.015 4.565 4.550 -0.000 0.000 0.287 118 Y C 1.982 177.823 175.900 -0.098 0.000 1.124 118 Y CA 1.424 59.380 58.100 -0.239 0.000 1.118 118 Y CB -0.318 37.864 38.460 -0.463 0.000 0.994 118 Y HN 0.110 nan 8.280 nan 0.000 0.497 119 L N -1.185 120.105 121.223 0.112 0.000 2.217 119 L HA -0.132 4.207 4.340 -0.000 0.000 0.211 119 L C 1.720 178.619 176.870 0.049 0.000 1.107 119 L CA 0.669 55.562 54.840 0.089 0.000 0.783 119 L CB -0.345 41.797 42.059 0.139 0.000 0.919 119 L HN 0.204 nan 8.230 nan 0.000 0.442 120 V N -1.180 118.779 119.914 0.075 0.000 2.784 120 V HA -0.050 4.070 4.120 -0.000 0.000 0.231 120 V C 1.665 177.815 176.094 0.094 0.000 1.128 120 V CA 0.838 63.212 62.300 0.122 0.000 1.178 120 V CB -0.293 31.683 31.823 0.255 0.000 0.943 120 V HN 0.159 nan 8.190 nan 0.000 0.500 121 D N 0.781 121.242 120.400 0.102 0.000 2.106 121 D HA -0.210 4.430 4.640 -0.000 0.000 0.191 121 D C 1.942 178.251 176.300 0.015 0.000 0.997 121 D CA 1.627 55.672 54.000 0.076 0.000 0.834 121 D CB -0.253 40.588 40.800 0.067 0.000 0.956 121 D HN 0.206 nan 8.370 nan 0.000 0.448 122 L N 0.076 121.278 121.223 -0.034 0.000 2.156 122 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 122 L C 1.793 178.626 176.870 -0.062 0.000 1.095 122 L CA 1.144 55.945 54.840 -0.065 0.000 0.770 122 L CB -0.222 41.752 42.059 -0.141 0.000 0.914 122 L HN -0.005 nan 8.230 nan 0.000 0.439 123 D N -0.516 119.844 120.400 -0.067 0.000 2.097 123 D HA -0.215 4.425 4.640 -0.000 0.000 0.197 123 D C 2.259 178.574 176.300 0.024 0.000 0.984 123 D CA 1.466 55.446 54.000 -0.033 0.000 0.826 123 D CB 0.049 40.837 40.800 -0.020 0.000 0.973 123 D HN 0.187 nan 8.370 nan 0.000 0.460 124 M N -0.583 119.044 119.600 0.046 0.000 2.213 124 M HA -0.113 4.366 4.480 -0.000 0.000 0.263 124 M C 2.155 178.523 176.300 0.114 0.000 1.062 124 M CA 0.605 55.956 55.300 0.087 0.000 1.105 124 M CB 0.071 32.721 32.600 0.083 0.000 1.385 124 M HN -0.014 nan 8.290 nan 0.000 0.417 125 V N 0.808 120.767 119.914 0.076 0.000 2.295 125 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 125 V C 2.245 178.405 176.094 0.110 0.000 1.049 125 V CA 1.691 64.046 62.300 0.091 0.000 1.024 125 V CB -0.578 31.276 31.823 0.051 0.000 0.648 125 V HN 0.453 nan 8.190 nan 0.000 0.447 126 L N -0.550 120.719 121.223 0.077 0.000 2.017 126 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 126 L C 2.561 179.493 176.870 0.104 0.000 1.073 126 L CA 1.801 56.688 54.840 0.080 0.000 0.745 126 L CB -0.691 41.394 42.059 0.044 0.000 0.894 126 L HN 0.266 nan 8.230 nan 0.000 0.432 127 K N -0.819 119.641 120.400 0.100 0.000 2.097 127 K HA -0.187 4.133 4.320 -0.000 0.000 0.205 127 K C 2.311 179.003 176.600 0.154 0.000 1.050 127 K CA 1.501 57.853 56.287 0.109 0.000 0.938 127 K CB -0.435 32.113 32.500 0.081 0.000 0.718 127 K HN 0.391 nan 8.250 nan 0.000 0.442 128 C N 1.189 120.602 119.300 0.188 0.000 2.462 128 C HA -0.043 4.417 4.460 -0.000 0.000 0.278 128 C C 2.426 177.628 174.990 0.353 0.000 1.253 128 C CA 0.560 59.740 59.018 0.269 0.000 1.713 128 C CB -0.902 27.054 27.740 0.359 0.000 2.049 128 C HN 0.393 nan 8.230 nan 0.000 0.477 129 L N 0.315 121.704 121.223 0.276 0.000 2.046 129 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 129 L C 3.012 180.023 176.870 0.235 0.000 1.077 129 L CA 1.721 56.716 54.840 0.259 0.000 0.747 129 L CB -0.728 41.441 42.059 0.184 0.000 0.896 129 L HN 0.348 nan 8.230 nan 0.000 0.432 130 R N -1.287 119.322 120.500 0.183 0.000 2.115 130 R HA -0.190 4.150 4.340 -0.000 0.000 0.230 130 R C 2.263 178.634 176.300 0.118 0.000 1.111 130 R CA 1.390 57.569 56.100 0.132 0.000 0.976 130 R CB -0.387 29.973 30.300 0.100 0.000 0.870 130 R HN 0.293 nan 8.270 nan 0.000 0.445 131 Y N 0.115 120.425 120.300 0.016 0.000 2.133 131 Y HA -0.257 4.293 4.550 -0.000 0.000 0.287 131 Y C 1.637 177.491 175.900 -0.076 0.000 1.134 131 Y CA 1.496 59.542 58.100 -0.090 0.000 1.133 131 Y CB -0.434 37.920 38.460 -0.178 0.000 0.987 131 Y HN -0.009 nan 8.280 nan 0.000 0.502 132 Y N -0.169 120.255 120.300 0.206 0.000 2.421 132 Y HA -0.136 4.414 4.550 -0.000 0.000 0.292 132 Y C 2.567 178.525 175.900 0.096 0.000 1.136 132 Y CA 0.630 58.832 58.100 0.169 0.000 1.255 132 Y CB -0.469 38.123 38.460 0.221 0.000 0.991 132 Y HN 0.300 nan 8.280 nan 0.000 0.552 133 A N 0.184 123.117 122.820 0.187 0.000 1.908 133 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 133 A C 2.532 180.138 177.584 0.037 0.000 1.181 133 A CA 1.790 53.901 52.037 0.123 0.000 0.627 133 A CB -1.451 17.603 19.000 0.090 0.000 0.818 133 A HN 0.464 nan 8.150 nan 0.000 0.445 134 G N -2.256 106.491 108.800 -0.088 0.000 2.448 134 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.219 134 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.219 134 G C 1.359 176.118 174.900 -0.236 0.000 1.127 134 G CA 0.771 45.742 45.100 -0.215 0.000 0.766 134 G HN 0.687 nan 8.290 nan 0.000 0.552 135 W N 0.641 121.844 121.300 -0.162 0.000 2.584 135 W HA 0.270 4.930 4.660 -0.000 0.000 0.264 135 W C 2.786 179.294 176.519 -0.019 0.000 1.264 135 W CA 0.220 57.502 57.345 -0.105 0.000 1.306 135 W CB 0.246 29.660 29.460 -0.076 0.000 1.110 135 W HN 0.262 nan 8.180 nan 0.000 0.606 136 A N 1.304 124.267 122.820 0.239 0.000 1.929 136 A HA -0.320 4.000 4.320 -0.000 0.000 0.221 136 A C 1.313 178.975 177.584 0.130 0.000 1.211 136 A CA 2.564 54.699 52.037 0.164 0.000 0.657 136 A CB -0.922 18.142 19.000 0.108 0.000 0.827 136 A HN 0.385 nan 8.150 nan 0.000 0.462 137 D N -2.482 117.976 120.400 0.096 0.000 2.593 137 D HA 0.237 4.877 4.640 -0.000 0.000 0.241 137 D C 0.549 176.867 176.300 0.030 0.000 1.257 137 D CA -0.005 54.033 54.000 0.065 0.000 0.828 137 D CB 0.088 40.913 40.800 0.041 0.000 1.049 137 D HN 0.502 nan 8.370 nan 0.000 0.490 138 K N -0.765 119.675 120.400 0.067 0.000 2.477 138 K HA 0.060 4.380 4.320 -0.000 0.000 0.208 138 K C -0.349 176.183 176.600 -0.114 0.000 1.117 138 K CA -0.456 55.763 56.287 -0.114 0.000 1.039 138 K CB 0.736 33.199 32.500 -0.062 0.000 0.937 138 K HN -0.039 nan 8.250 nan 0.000 0.570 139 Y N 3.187 123.486 120.300 -0.001 0.000 2.667 139 Y HA 0.108 4.657 4.550 -0.000 0.000 0.340 139 Y C -0.394 175.478 175.900 -0.046 0.000 1.303 139 Y CA -1.162 56.938 58.100 -0.000 0.000 1.769 139 Y CB -1.249 37.226 38.460 0.025 0.000 1.804 139 Y HN 0.081 nan 8.280 nan 0.000 0.451 140 H N 0.433 119.477 119.070 -0.044 0.000 2.929 140 H HA 0.276 4.832 4.556 -0.000 0.000 0.358 140 H C 0.994 175.929 175.328 -0.655 0.000 1.111 140 H CA 0.573 56.487 56.048 -0.222 0.000 1.409 140 H CB 0.710 30.403 29.762 -0.115 0.000 1.373 140 H HN 0.690 nan 8.280 nan 0.000 0.610 141 G N 0.710 109.242 108.800 -0.447 0.000 2.583 141 G HA2 0.496 4.456 3.960 -0.000 0.000 0.280 141 G HA3 0.496 4.456 3.960 -0.000 0.000 0.280 141 G C -0.808 173.935 174.900 -0.262 0.000 1.376 141 G CA -0.892 43.798 45.100 -0.683 0.000 1.043 141 G HN 0.543 nan 8.290 nan 0.000 0.538 142 K N -0.712 119.617 120.400 -0.118 0.000 2.435 142 K HA 0.544 4.864 4.320 -0.000 0.000 0.251 142 K C -1.003 175.637 176.600 0.067 0.000 0.954 142 K CA -0.710 55.563 56.287 -0.024 0.000 0.820 142 K CB 2.203 34.695 32.500 -0.014 0.000 1.292 142 K HN 0.590 nan 8.250 nan 0.000 0.436 143 T N -0.702 113.906 114.554 0.090 0.000 2.772 143 T HA 0.558 4.908 4.350 -0.000 0.000 0.288 143 T C -0.027 174.757 174.700 0.140 0.000 0.994 143 T CA -0.722 61.491 62.100 0.188 0.000 0.951 143 T CB -0.088 68.923 68.868 0.239 0.000 0.933 143 T HN 0.366 nan 8.240 nan 0.000 0.447 144 I N 5.396 126.046 120.570 0.134 0.000 2.336 144 I HA 0.333 4.503 4.170 -0.000 0.000 0.292 144 I C -1.750 174.437 176.117 0.117 0.000 0.991 144 I CA -2.807 58.548 61.300 0.091 0.000 1.227 144 I CB 2.164 40.189 38.000 0.042 0.000 1.366 144 I HN 0.465 nan 8.210 nan 0.000 0.466 145 P HA 0.129 nan 4.420 nan 0.000 0.225 145 P C 0.116 177.467 177.300 0.085 0.000 1.768 145 P CA 0.105 63.261 63.100 0.093 0.000 0.943 145 P CB 0.054 31.793 31.700 0.064 0.000 1.936 146 I N 0.773 121.403 120.570 0.099 0.000 2.993 146 I HA 0.016 4.186 4.170 -0.000 0.000 0.286 146 I C 0.339 176.529 176.117 0.121 0.000 1.215 146 I CA 0.044 61.395 61.300 0.085 0.000 1.393 146 I CB 0.609 38.648 38.000 0.065 0.000 1.371 146 I HN 0.006 nan 8.210 nan 0.000 0.602 147 D N 4.152 124.615 120.400 0.105 0.000 2.362 147 D HA 0.448 5.088 4.640 -0.000 0.000 0.242 147 D C 0.338 176.789 176.300 0.251 0.000 1.132 147 D CA 1.122 55.199 54.000 0.128 0.000 0.907 147 D CB 0.927 41.780 40.800 0.087 0.000 1.195 147 D HN 0.938 nan 8.370 nan 0.000 0.429 148 G N 1.408 110.331 108.800 0.204 0.000 2.782 148 G HA2 -0.199 3.760 3.960 -0.000 0.000 0.228 148 G HA3 -0.199 3.760 3.960 -0.000 0.000 0.228 148 G C -0.702 174.230 174.900 0.053 0.000 1.372 148 G CA -0.697 44.530 45.100 0.211 0.000 0.862 148 G HN 0.522 nan 8.290 nan 0.000 0.547 149 D N 0.995 121.194 120.400 -0.335 0.000 2.608 149 D HA 0.476 5.116 4.640 -0.000 0.000 0.224 149 D C -0.082 175.739 176.300 -0.798 0.000 1.123 149 D CA 0.975 54.704 54.000 -0.452 0.000 1.030 149 D CB -0.482 40.082 40.800 -0.392 0.000 1.093 149 D HN 0.271 nan 8.370 nan 0.000 0.497 150 F N 0.398 120.393 119.950 0.075 0.000 2.626 150 F HA 0.398 4.925 4.527 -0.000 0.000 0.311 150 F C -0.418 175.500 175.800 0.196 0.000 1.088 150 F CA -1.451 56.613 58.000 0.106 0.000 0.949 150 F CB 1.629 40.666 39.000 0.061 0.000 1.322 150 F HN -0.141 nan 8.300 nan 0.000 0.461 151 F N 1.960 122.058 119.950 0.245 0.000 2.427 151 F HA 0.687 5.214 4.527 -0.000 0.000 0.348 151 F C -0.676 175.250 175.800 0.209 0.000 1.125 151 F CA -1.219 56.894 58.000 0.189 0.000 0.989 151 F CB 1.211 40.310 39.000 0.164 0.000 1.165 151 F HN 0.268 nan 8.300 nan 0.000 0.442 152 S N 6.799 122.527 115.700 0.048 0.000 2.502 152 S HA 0.803 5.273 4.470 -0.000 0.000 0.304 152 S C -1.437 173.058 174.600 -0.175 0.000 1.097 152 S CA -0.292 57.797 58.200 -0.184 0.000 1.045 152 S CB 0.665 63.826 63.200 -0.065 0.000 1.019 152 S HN 0.703 nan 8.310 nan 0.000 0.481 153 Y N 0.151 120.221 120.300 -0.384 0.000 2.655 153 Y HA 0.794 5.344 4.550 -0.000 0.000 0.336 153 Y C -0.618 175.186 175.900 -0.161 0.000 1.154 153 Y CA -1.072 56.876 58.100 -0.254 0.000 1.055 153 Y CB 0.880 39.145 38.460 -0.326 0.000 1.295 153 Y HN 0.525 nan 8.280 nan 0.000 0.465 154 T N -0.334 114.258 114.554 0.064 0.000 2.863 154 T HA 0.682 5.032 4.350 -0.000 0.000 0.285 154 T C -0.928 173.852 174.700 0.133 0.000 1.009 154 T CA -1.047 61.065 62.100 0.021 0.000 0.989 154 T CB 1.852 70.753 68.868 0.054 0.000 1.004 154 T HN 0.807 nan 8.240 nan 0.000 0.455 155 R N 1.223 121.798 120.500 0.125 0.000 2.338 155 R HA 0.314 4.654 4.340 -0.000 0.000 0.317 155 R C -0.368 176.075 176.300 0.240 0.000 0.968 155 R CA -0.674 55.524 56.100 0.164 0.000 0.849 155 R CB 0.960 31.344 30.300 0.140 0.000 1.128 155 R HN 0.731 nan 8.270 nan 0.000 0.448 156 H N 2.681 121.780 119.070 0.047 0.000 2.872 156 H HA 0.111 4.667 4.556 -0.000 0.000 0.273 156 H C -0.265 175.121 175.328 0.097 0.000 1.205 156 H CA -0.274 55.806 56.048 0.053 0.000 1.342 156 H CB 0.832 30.600 29.762 0.010 0.000 1.469 156 H HN 0.409 nan 8.280 nan 0.000 0.487 157 E N 3.978 124.288 120.200 0.182 0.000 2.250 157 E HA 0.240 4.590 4.350 -0.000 0.000 0.265 157 E C -2.433 174.280 176.600 0.189 0.000 1.033 157 E CA -2.231 54.270 56.400 0.168 0.000 0.888 157 E CB 0.977 30.764 29.700 0.145 0.000 1.151 157 E HN 0.380 nan 8.360 nan 0.000 0.412 158 P HA -0.053 nan 4.420 nan 0.000 0.275 158 P C 0.490 177.919 177.300 0.214 0.000 1.228 158 P CA -0.048 63.223 63.100 0.284 0.000 0.786 158 P CB 0.750 32.743 31.700 0.488 0.000 0.927 159 V N 1.892 121.873 119.914 0.111 0.000 2.667 159 V HA 0.084 4.204 4.120 -0.000 0.000 0.252 159 V C 1.032 177.056 176.094 -0.116 0.000 1.065 159 V CA 2.601 64.909 62.300 0.013 0.000 1.083 159 V CB -1.139 30.670 31.823 -0.022 0.000 0.692 159 V HN 0.960 nan 8.190 nan 0.000 0.468 160 G N -0.868 107.744 108.800 -0.314 0.000 2.348 160 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.199 160 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.199 160 G C -0.462 174.058 174.900 -0.633 0.000 1.235 160 G CA -0.237 44.310 45.100 -0.921 0.000 1.264 160 G HN 0.538 nan 8.290 nan 0.000 0.543 161 V N 1.234 120.878 119.914 -0.449 0.000 2.387 161 V HA 0.387 4.507 4.120 -0.000 0.000 0.260 161 V C 0.435 176.452 176.094 -0.129 0.000 1.054 161 V CA -0.088 62.069 62.300 -0.239 0.000 0.967 161 V CB 0.132 31.843 31.823 -0.186 0.000 1.036 161 V HN 0.813 nan 8.190 nan 0.000 0.481 162 C N 4.966 124.231 119.300 -0.059 0.000 2.255 162 C HA 0.661 5.121 4.460 -0.000 0.000 0.326 162 C C 1.098 176.103 174.990 0.025 0.000 1.258 162 C CA -1.006 58.026 59.018 0.023 0.000 1.676 162 C CB 0.193 28.036 27.740 0.172 0.000 2.314 162 C HN 0.974 nan 8.230 nan 0.000 0.509 163 G N 3.099 111.912 108.800 0.022 0.000 2.339 163 G HA2 0.496 4.456 3.960 -0.000 0.000 0.287 163 G HA3 0.496 4.456 3.960 -0.000 0.000 0.287 163 G C -0.699 174.246 174.900 0.076 0.000 1.163 163 G CA -0.136 44.983 45.100 0.032 0.000 0.872 163 G HN 0.819 nan 8.290 nan 0.000 0.464 164 Q N 1.893 121.738 119.800 0.075 0.000 2.320 164 Q HA 0.383 4.723 4.340 -0.000 0.000 0.268 164 Q C -0.735 175.318 176.000 0.088 0.000 1.023 164 Q CA -0.394 55.466 55.803 0.095 0.000 0.744 164 Q CB 2.536 31.322 28.738 0.079 0.000 1.246 164 Q HN 0.519 nan 8.270 nan 0.000 0.462 165 I N 5.003 125.647 120.570 0.124 0.000 2.330 165 I HA 0.447 4.617 4.170 -0.000 0.000 0.289 165 I C -0.010 176.099 176.117 -0.015 0.000 1.001 165 I CA -0.767 60.610 61.300 0.128 0.000 1.193 165 I CB 0.778 38.975 38.000 0.329 0.000 1.345 165 I HN 0.523 nan 8.210 nan 0.000 0.461 166 I N 5.422 125.969 120.570 -0.040 0.000 2.797 166 I HA 0.749 4.918 4.170 -0.000 0.000 0.307 166 I C -2.658 173.383 176.117 -0.126 0.000 1.033 166 I CA -2.285 58.943 61.300 -0.121 0.000 1.071 166 I CB 2.083 40.040 38.000 -0.071 0.000 1.255 166 I HN 0.223 nan 8.210 nan 0.000 0.445 167 P HA 0.164 nan 4.420 nan 0.000 0.297 167 P C -0.223 176.983 177.300 -0.156 0.000 1.307 167 P CA -0.215 62.727 63.100 -0.264 0.000 0.773 167 P CB 0.722 32.151 31.700 -0.451 0.000 1.265 168 W N 0.351 121.645 121.300 -0.010 0.000 3.177 168 W HA 0.071 4.731 4.660 -0.000 0.000 0.309 168 W C 0.914 177.388 176.519 -0.074 0.000 1.224 168 W CA 0.118 57.447 57.345 -0.027 0.000 1.718 168 W CB -1.414 28.039 29.460 -0.012 0.000 1.078 168 W HN 0.220 nan 8.180 nan 0.000 0.618 169 N N 1.783 120.251 118.700 -0.386 0.000 2.331 169 N HA -0.167 4.573 4.740 -0.000 0.000 0.180 169 N C -0.252 174.896 175.510 -0.604 0.000 1.019 169 N CA 0.760 53.578 53.050 -0.388 0.000 0.881 169 N CB -0.968 37.178 38.487 -0.568 0.000 0.972 169 N HN 0.103 nan 8.380 nan 0.000 0.435 170 F N -0.319 119.491 119.950 -0.233 0.000 2.794 170 F HA 0.412 4.939 4.527 -0.000 0.000 0.353 170 F C -1.844 173.821 175.800 -0.225 0.000 1.371 170 F CA -1.957 55.886 58.000 -0.262 0.000 1.173 170 F CB 2.102 40.856 39.000 -0.411 0.000 1.693 170 F HN -0.197 nan 8.300 nan 0.000 0.606 171 P HA -0.233 nan 4.420 nan 0.000 0.212 171 P C 1.962 179.248 177.300 -0.025 0.000 1.174 171 P CA 1.806 64.901 63.100 -0.009 0.000 0.934 171 P CB 0.372 32.078 31.700 0.009 0.000 0.791 172 L N -2.052 119.161 121.223 -0.016 0.000 2.046 172 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 172 L C 2.485 179.319 176.870 -0.059 0.000 1.077 172 L CA 1.024 55.856 54.840 -0.014 0.000 0.747 172 L CB -0.987 41.077 42.059 0.008 0.000 0.896 172 L HN -0.004 nan 8.230 nan 0.000 0.432 173 L N -0.765 120.388 121.223 -0.115 0.000 2.046 173 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 173 L C 2.469 179.040 176.870 -0.499 0.000 1.077 173 L CA 1.808 56.468 54.840 -0.301 0.000 0.747 173 L CB -0.405 41.394 42.059 -0.433 0.000 0.896 173 L HN 0.184 nan 8.230 nan 0.000 0.432 174 M N -1.104 118.255 119.600 -0.402 0.000 2.229 174 M HA -0.207 4.273 4.480 -0.000 0.000 0.264 174 M C 2.226 178.459 176.300 -0.113 0.000 1.063 174 M CA 1.480 56.583 55.300 -0.330 0.000 1.114 174 M CB -1.118 31.345 32.600 -0.228 0.000 1.387 174 M HN 0.508 nan 8.290 nan 0.000 0.420 175 Q N -0.002 119.751 119.800 -0.078 0.000 2.079 175 Q HA -0.102 4.238 4.340 -0.000 0.000 0.200 175 Q C 2.012 178.016 176.000 0.007 0.000 0.974 175 Q CA 1.756 57.543 55.803 -0.027 0.000 0.840 175 Q CB 0.041 28.765 28.738 -0.023 0.000 0.898 175 Q HN 0.458 nan 8.270 nan 0.000 0.430 176 A N 0.101 122.939 122.820 0.030 0.000 1.873 176 A HA -0.170 4.150 4.320 -0.000 0.000 0.215 176 A C 1.531 179.265 177.584 0.249 0.000 1.186 176 A CA 1.172 53.282 52.037 0.123 0.000 0.616 176 A CB -1.140 17.953 19.000 0.155 0.000 0.823 176 A HN 0.626 nan 8.150 nan 0.000 0.442 177 W N 0.524 121.821 121.300 -0.005 0.000 2.364 177 W HA -0.067 4.593 4.660 -0.000 0.000 0.281 177 W C 2.085 178.573 176.519 -0.051 0.000 1.219 177 W CA 1.293 58.642 57.345 0.007 0.000 1.220 177 W CB -0.217 29.238 29.460 -0.008 0.000 1.127 177 W HN 0.262 nan 8.180 nan 0.000 0.556 178 K N -0.390 120.101 120.400 0.153 0.000 2.078 178 K HA 0.089 4.409 4.320 -0.000 0.000 0.203 178 K C 2.070 178.582 176.600 -0.147 0.000 1.043 178 K CA 0.673 56.973 56.287 0.022 0.000 0.960 178 K CB -0.991 31.538 32.500 0.048 0.000 0.761 178 K HN 0.193 nan 8.250 nan 0.000 0.448 179 L N 0.612 121.774 121.223 -0.102 0.000 2.093 179 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 179 L C 2.475 179.243 176.870 -0.169 0.000 1.085 179 L CA 1.280 56.028 54.840 -0.153 0.000 0.755 179 L CB -1.016 40.966 42.059 -0.129 0.000 0.904 179 L HN 0.280 nan 8.230 nan 0.000 0.435 180 G N 1.313 110.043 108.800 -0.117 0.000 2.587 180 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 180 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 180 G C -0.474 174.179 174.900 -0.412 0.000 1.240 180 G CA 1.099 46.140 45.100 -0.098 0.000 0.794 180 G HN 0.309 nan 8.290 nan 0.000 0.580 181 P HA -0.029 nan 4.420 nan 0.000 0.217 181 P C 2.041 178.943 177.300 -0.664 0.000 1.150 181 P CA 2.043 64.570 63.100 -0.955 0.000 0.832 181 P CB -0.159 30.965 31.700 -0.961 0.000 0.787 182 A N 0.561 122.857 122.820 -0.874 0.000 1.877 182 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 182 A C 2.492 179.995 177.584 -0.135 0.000 1.186 182 A CA 1.508 53.125 52.037 -0.701 0.000 0.620 182 A CB -1.608 17.013 19.000 -0.632 0.000 0.822 182 A HN 0.118 nan 8.150 nan 0.000 0.443 183 L N -0.885 120.313 121.223 -0.041 0.000 2.093 183 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 183 L C 3.083 180.148 176.870 0.324 0.000 1.085 183 L CA 0.917 55.922 54.840 0.275 0.000 0.755 183 L CB -0.633 41.561 42.059 0.226 0.000 0.904 183 L HN 0.444 nan 8.230 nan 0.000 0.435 184 A N 0.327 123.238 122.820 0.151 0.000 1.940 184 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 184 A C 2.226 179.884 177.584 0.124 0.000 1.176 184 A CA 2.252 54.385 52.037 0.161 0.000 0.631 184 A CB -0.870 18.239 19.000 0.180 0.000 0.814 184 A HN 0.518 nan 8.150 nan 0.000 0.446 185 T N -4.088 110.521 114.554 0.092 0.000 3.144 185 T HA 0.420 4.770 4.350 -0.000 0.000 0.249 185 T C 1.193 175.980 174.700 0.145 0.000 1.089 185 T CA 0.905 63.074 62.100 0.115 0.000 0.989 185 T CB -0.000 68.933 68.868 0.108 0.000 0.992 185 T HN 1.708 nan 8.240 nan 0.000 0.540 186 G N 1.655 110.556 108.800 0.169 0.000 2.149 186 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.235 186 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.235 186 G C -0.092 175.149 174.900 0.569 0.000 1.018 186 G CA -0.297 44.886 45.100 0.138 0.000 0.728 186 G HN 0.583 nan 8.290 nan 0.000 0.508 187 N N -0.822 118.207 118.700 0.549 0.000 2.405 187 N HA 0.638 5.378 4.740 -0.000 0.000 0.269 187 N C 0.465 176.240 175.510 0.443 0.000 1.249 187 N CA 0.376 53.686 53.050 0.432 0.000 0.974 187 N CB 1.849 40.463 38.487 0.211 0.000 1.204 187 N HN 0.679 nan 8.380 nan 0.000 0.565 188 V N -2.067 117.945 119.914 0.163 0.000 2.815 188 V HA 0.727 4.847 4.120 -0.000 0.000 0.314 188 V C -0.188 175.878 176.094 -0.046 0.000 1.064 188 V CA -0.748 61.562 62.300 0.017 0.000 0.952 188 V CB 1.637 33.486 31.823 0.044 0.000 1.020 188 V HN 0.249 nan 8.190 nan 0.000 0.439 189 V N 2.886 122.749 119.914 -0.086 0.000 2.735 189 V HA 0.611 4.731 4.120 -0.000 0.000 0.310 189 V C -0.517 175.540 176.094 -0.062 0.000 1.061 189 V CA -0.545 61.715 62.300 -0.068 0.000 0.913 189 V CB 2.143 33.914 31.823 -0.086 0.000 1.005 189 V HN 0.788 nan 8.190 nan 0.000 0.428 190 V N 5.282 125.171 119.914 -0.042 0.000 2.357 190 V HA 0.432 4.552 4.120 -0.000 0.000 0.281 190 V C -0.189 175.903 176.094 -0.002 0.000 1.015 190 V CA -0.203 62.077 62.300 -0.033 0.000 0.827 190 V CB 1.351 33.141 31.823 -0.055 0.000 1.018 190 V HN 0.898 nan 8.190 nan 0.000 0.432 191 M N 4.794 124.398 119.600 0.007 0.000 2.264 191 M HA 0.559 5.039 4.480 -0.000 0.000 0.352 191 M C -0.478 175.848 176.300 0.043 0.000 1.173 191 M CA -0.459 54.855 55.300 0.023 0.000 1.075 191 M CB 1.159 33.763 32.600 0.006 0.000 1.621 191 M HN 0.338 nan 8.290 nan 0.000 0.457 192 K N 5.468 125.900 120.400 0.054 0.000 2.464 192 K HA 0.339 4.659 4.320 -0.000 0.000 0.252 192 K C -1.204 175.433 176.600 0.062 0.000 1.000 192 K CA -0.379 55.946 56.287 0.064 0.000 0.951 192 K CB 0.655 33.200 32.500 0.075 0.000 1.183 192 K HN 0.686 nan 8.250 nan 0.000 0.445 193 V N 0.904 120.856 119.914 0.065 0.000 2.953 193 V HA 0.600 4.720 4.120 -0.000 0.000 0.304 193 V C 0.589 176.729 176.094 0.077 0.000 1.073 193 V CA -1.004 61.336 62.300 0.066 0.000 1.064 193 V CB 0.897 32.767 31.823 0.078 0.000 1.047 193 V HN 0.677 nan 8.190 nan 0.000 0.478 194 A N 2.648 125.526 122.820 0.097 0.000 2.498 194 A HA 0.283 4.603 4.320 -0.000 0.000 0.239 194 A C 1.326 178.983 177.584 0.121 0.000 1.068 194 A CA 0.296 52.417 52.037 0.140 0.000 0.766 194 A CB 0.058 19.210 19.000 0.254 0.000 1.003 194 A HN 1.131 nan 8.150 nan 0.000 0.497 195 E N 1.871 122.099 120.200 0.047 0.000 2.204 195 E HA -0.255 4.095 4.350 -0.000 0.000 0.194 195 E C 1.099 177.803 176.600 0.173 0.000 0.989 195 E CA 1.643 58.036 56.400 -0.013 0.000 0.824 195 E CB -0.278 29.153 29.700 -0.449 0.000 0.756 195 E HN 0.823 nan 8.360 nan 0.000 0.477 196 Q N 0.808 120.674 119.800 0.109 0.000 2.230 196 Q HA 0.000 4.340 4.340 -0.000 0.000 0.202 196 Q C 0.604 176.639 176.000 0.058 0.000 0.963 196 Q CA 1.665 57.487 55.803 0.031 0.000 0.866 196 Q CB 0.387 29.019 28.738 -0.177 0.000 0.931 196 Q HN 0.452 nan 8.270 nan 0.000 0.452 197 T N -3.492 111.133 114.554 0.119 0.000 3.428 197 T HA 0.289 4.639 4.350 -0.000 0.000 0.301 197 T C -2.480 172.276 174.700 0.094 0.000 1.323 197 T CA -1.312 60.844 62.100 0.092 0.000 1.647 197 T CB 1.218 70.154 68.868 0.114 0.000 0.871 197 T HN -0.057 nan 8.240 nan 0.000 0.627 198 P HA 0.206 nan 4.420 nan 0.000 0.234 198 P C 1.658 179.002 177.300 0.074 0.000 1.175 198 P CA -0.126 63.033 63.100 0.100 0.000 0.801 198 P CB 0.400 32.183 31.700 0.137 0.000 0.891 199 L N 0.739 121.985 121.223 0.038 0.000 1.956 199 L HA -0.188 4.152 4.340 -0.000 0.000 0.216 199 L C 2.844 179.768 176.870 0.091 0.000 1.073 199 L CA 2.961 57.825 54.840 0.039 0.000 0.762 199 L CB -2.320 39.735 42.059 -0.006 0.000 0.889 199 L HN 0.107 nan 8.230 nan 0.000 0.433 200 T N -2.046 112.548 114.554 0.067 0.000 2.759 200 T HA -0.184 4.166 4.350 -0.000 0.000 0.269 200 T C 1.899 176.685 174.700 0.143 0.000 1.042 200 T CA 1.139 63.298 62.100 0.098 0.000 1.140 200 T CB -0.477 68.415 68.868 0.040 0.000 0.864 200 T HN 0.367 nan 8.240 nan 0.000 0.455 201 A N 1.642 124.522 122.820 0.100 0.000 1.898 201 A HA 0.211 4.531 4.320 -0.000 0.000 0.216 201 A C 2.480 180.118 177.584 0.091 0.000 1.181 201 A CA 1.200 53.282 52.037 0.075 0.000 0.620 201 A CB -0.831 18.202 19.000 0.056 0.000 0.819 201 A HN 0.543 nan 8.150 nan 0.000 0.442 202 L N -2.144 119.173 121.223 0.155 0.000 2.083 202 L HA -0.195 4.145 4.340 -0.000 0.000 0.209 202 L C 2.599 179.639 176.870 0.283 0.000 1.083 202 L CA 1.773 56.769 54.840 0.260 0.000 0.752 202 L CB -0.631 41.571 42.059 0.238 0.000 0.899 202 L HN 0.597 nan 8.230 nan 0.000 0.433 203 Y N 0.220 120.605 120.300 0.142 0.000 2.200 203 Y HA -0.187 4.363 4.550 -0.000 0.000 0.290 203 Y C 2.393 178.364 175.900 0.118 0.000 1.137 203 Y CA 1.276 59.478 58.100 0.171 0.000 1.163 203 Y CB -0.175 38.436 38.460 0.251 0.000 0.988 203 Y HN -0.180 nan 8.280 nan 0.000 0.518 204 V N 0.437 120.403 119.914 0.087 0.000 2.594 204 V HA -0.331 3.789 4.120 -0.000 0.000 0.253 204 V C 2.564 178.528 176.094 -0.217 0.000 1.069 204 V CA 1.597 63.874 62.300 -0.038 0.000 1.082 204 V CB -1.411 30.424 31.823 0.020 0.000 0.680 204 V HN 0.583 nan 8.190 nan 0.000 0.469 205 A N 0.013 122.637 122.820 -0.326 0.000 1.969 205 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 205 A C 2.051 179.223 177.584 -0.688 0.000 1.169 205 A CA 1.988 53.529 52.037 -0.826 0.000 0.635 205 A CB -0.634 17.474 19.000 -1.487 0.000 0.810 205 A HN 0.566 nan 8.150 nan 0.000 0.445 206 N N 0.007 118.536 118.700 -0.285 0.000 2.188 206 N HA -0.031 4.709 4.740 -0.000 0.000 0.184 206 N C 1.516 176.938 175.510 -0.146 0.000 1.018 206 N CA 1.149 54.145 53.050 -0.090 0.000 0.858 206 N CB -0.326 38.061 38.487 -0.166 0.000 0.989 206 N HN 0.501 nan 8.380 nan 0.000 0.426 207 L N -0.161 120.921 121.223 -0.236 0.000 2.217 207 L HA -0.007 4.333 4.340 -0.000 0.000 0.211 207 L C 1.895 178.762 176.870 -0.005 0.000 1.107 207 L CA 0.564 55.339 54.840 -0.109 0.000 0.783 207 L CB -0.263 41.748 42.059 -0.080 0.000 0.919 207 L HN 0.182 nan 8.230 nan 0.000 0.442 208 I N 0.115 120.649 120.570 -0.061 0.000 2.315 208 I HA -0.283 3.887 4.170 -0.000 0.000 0.248 208 I C 2.739 178.972 176.117 0.195 0.000 1.117 208 I CA 1.272 62.577 61.300 0.009 0.000 1.404 208 I CB -0.201 37.654 38.000 -0.241 0.000 1.071 208 I HN 0.257 nan 8.210 nan 0.000 0.419 209 K N 1.145 121.632 120.400 0.144 0.000 2.057 209 K HA -0.242 4.078 4.320 -0.000 0.000 0.206 209 K C 2.082 178.763 176.600 0.135 0.000 1.050 209 K CA 1.585 57.984 56.287 0.187 0.000 0.935 209 K CB -0.071 32.561 32.500 0.219 0.000 0.715 209 K HN 0.239 nan 8.250 nan 0.000 0.439 210 E N -0.102 120.154 120.200 0.094 0.000 2.153 210 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 210 E C 1.626 178.273 176.600 0.078 0.000 0.988 210 E CA 0.914 57.355 56.400 0.067 0.000 0.811 210 E CB -0.069 29.650 29.700 0.033 0.000 0.746 210 E HN 0.441 nan 8.360 nan 0.000 0.466 211 A N -0.033 122.860 122.820 0.122 0.000 2.067 211 A HA 0.055 4.375 4.320 -0.000 0.000 0.219 211 A C 1.848 179.442 177.584 0.017 0.000 1.158 211 A CA 1.424 53.522 52.037 0.103 0.000 0.661 211 A CB -0.353 18.778 19.000 0.219 0.000 0.801 211 A HN 0.509 nan 8.150 nan 0.000 0.452 212 G N -2.915 105.922 108.800 0.062 0.000 2.175 212 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.182 212 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.182 212 G C -0.030 174.865 174.900 -0.008 0.000 1.003 212 G CA -0.257 44.850 45.100 0.011 0.000 0.666 212 G HN 0.263 nan 8.290 nan 0.000 0.506 213 F N 1.982 121.952 119.950 0.034 0.000 2.543 213 F HA 0.397 4.924 4.527 -0.000 0.000 0.375 213 F C -1.124 174.657 175.800 -0.031 0.000 1.075 213 F CA -1.281 56.708 58.000 -0.018 0.000 1.225 213 F CB 0.493 39.427 39.000 -0.111 0.000 1.099 213 F HN -0.088 nan 8.300 nan 0.000 0.561 214 P HA 0.027 nan 4.420 nan 0.000 0.268 214 P C -2.535 174.770 177.300 0.009 0.000 1.208 214 P CA -0.792 62.359 63.100 0.084 0.000 0.777 214 P CB 0.054 31.838 31.700 0.141 0.000 0.875 215 P HA 0.063 nan 4.420 nan 0.000 0.268 215 P C 0.952 178.200 177.300 -0.087 0.000 1.204 215 P CA 1.273 64.329 63.100 -0.073 0.000 0.768 215 P CB 0.131 31.793 31.700 -0.064 0.000 0.842 216 G N 1.374 110.092 108.800 -0.136 0.000 2.225 216 G HA2 -0.301 3.658 3.960 -0.000 0.000 0.254 216 G HA3 -0.301 3.658 3.960 -0.000 0.000 0.254 216 G C 0.995 175.811 174.900 -0.142 0.000 0.988 216 G CA 0.277 45.304 45.100 -0.121 0.000 0.625 216 G HN 0.395 nan 8.290 nan 0.000 0.527 217 V N -0.214 119.568 119.914 -0.218 0.000 2.427 217 V HA 0.111 4.231 4.120 -0.000 0.000 0.248 217 V C 1.393 177.304 176.094 -0.305 0.000 1.051 217 V CA 1.932 63.988 62.300 -0.406 0.000 1.048 217 V CB 0.129 31.495 31.823 -0.762 0.000 0.666 217 V HN 0.404 nan 8.190 nan 0.000 0.456 218 V N 1.620 121.407 119.914 -0.211 0.000 2.525 218 V HA 0.484 4.604 4.120 -0.000 0.000 0.299 218 V C -0.922 175.185 176.094 0.021 0.000 1.034 218 V CA -0.757 61.459 62.300 -0.139 0.000 0.863 218 V CB 1.810 33.496 31.823 -0.229 0.000 0.999 218 V HN 0.428 nan 8.190 nan 0.000 0.423 219 N N 5.376 124.082 118.700 0.010 0.000 2.296 219 N HA 0.639 5.379 4.740 -0.000 0.000 0.294 219 N C -1.230 174.325 175.510 0.075 0.000 1.033 219 N CA -0.400 52.687 53.050 0.061 0.000 0.839 219 N CB 3.046 41.505 38.487 -0.046 0.000 1.395 219 N HN 0.497 nan 8.380 nan 0.000 0.479 220 I N 1.466 122.125 120.570 0.149 0.000 2.406 220 I HA 0.343 4.513 4.170 -0.000 0.000 0.290 220 I C -0.392 175.806 176.117 0.135 0.000 0.999 220 I CA -1.008 60.357 61.300 0.108 0.000 1.124 220 I CB 2.084 40.133 38.000 0.082 0.000 1.289 220 I HN 0.041 nan 8.210 nan 0.000 0.441 221 V N 7.940 127.915 119.914 0.102 0.000 2.304 221 V HA 0.304 4.424 4.120 -0.000 0.000 0.278 221 V C -2.094 174.068 176.094 0.115 0.000 1.018 221 V CA -1.553 60.812 62.300 0.109 0.000 0.814 221 V CB 1.190 33.053 31.823 0.068 0.000 1.021 221 V HN 0.576 nan 8.190 nan 0.000 0.440 222 P HA 0.587 nan 4.420 nan 0.000 0.275 222 P C 0.166 177.527 177.300 0.101 0.000 1.228 222 P CA 0.469 63.678 63.100 0.183 0.000 0.786 222 P CB 2.106 33.978 31.700 0.286 0.000 0.927 223 G N 0.786 109.499 108.800 -0.146 0.000 2.356 223 G HA2 0.252 4.212 3.960 -0.000 0.000 0.288 223 G HA3 0.252 4.212 3.960 -0.000 0.000 0.288 223 G C -1.522 172.982 174.900 -0.661 0.000 1.302 223 G CA -0.896 43.879 45.100 -0.542 0.000 0.887 223 G HN 0.265 nan 8.290 nan 0.000 0.521 224 F N 0.501 120.279 119.950 -0.288 0.000 2.375 224 F HA 0.522 5.049 4.527 -0.000 0.000 0.313 224 F C 1.900 177.662 175.800 -0.063 0.000 1.176 224 F CA 0.737 58.628 58.000 -0.183 0.000 1.142 224 F CB 1.244 40.139 39.000 -0.175 0.000 1.275 224 F HN 0.651 nan 8.300 nan 0.000 0.544 225 G N 0.346 109.267 108.800 0.202 0.000 2.424 225 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.214 225 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.214 225 G C -1.002 173.957 174.900 0.098 0.000 1.202 225 G CA 0.488 45.672 45.100 0.140 0.000 0.793 225 G HN 0.468 nan 8.290 nan 0.000 0.534 226 P HA -0.032 nan 4.420 nan 0.000 0.222 226 P C 1.888 179.212 177.300 0.039 0.000 1.147 226 P CA 1.969 65.090 63.100 0.036 0.000 0.790 226 P CB -0.003 31.701 31.700 0.008 0.000 0.780 227 T N -3.267 111.328 114.554 0.070 0.000 3.207 227 T HA 0.211 4.561 4.350 -0.000 0.000 0.229 227 T C 1.966 176.705 174.700 0.065 0.000 0.999 227 T CA 0.675 62.816 62.100 0.067 0.000 1.386 227 T CB -1.204 67.722 68.868 0.098 0.000 1.130 227 T HN -0.095 nan 8.240 nan 0.000 0.435 228 A N 1.718 124.580 122.820 0.071 0.000 1.873 228 A HA 0.274 4.594 4.320 -0.000 0.000 0.215 228 A C 2.659 180.282 177.584 0.066 0.000 1.186 228 A CA 1.832 53.906 52.037 0.062 0.000 0.616 228 A CB -1.731 17.297 19.000 0.047 0.000 0.823 228 A HN 0.684 nan 8.150 nan 0.000 0.442 229 G N -0.397 108.448 108.800 0.074 0.000 2.446 229 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.217 229 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.217 229 G C 1.748 176.683 174.900 0.058 0.000 1.168 229 G CA 1.540 46.691 45.100 0.084 0.000 0.771 229 G HN 0.829 nan 8.290 nan 0.000 0.551 230 A N 0.976 123.820 122.820 0.041 0.000 1.969 230 A HA 0.334 4.654 4.320 -0.000 0.000 0.218 230 A C 2.777 180.378 177.584 0.030 0.000 1.169 230 A CA 2.036 54.084 52.037 0.018 0.000 0.635 230 A CB -0.630 18.374 19.000 0.007 0.000 0.810 230 A HN 0.774 nan 8.150 nan 0.000 0.445 231 A N 0.056 122.905 122.820 0.048 0.000 1.902 231 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 231 A C 2.103 179.753 177.584 0.110 0.000 1.181 231 A CA 1.543 53.621 52.037 0.068 0.000 0.623 231 A CB -0.532 18.515 19.000 0.077 0.000 0.818 231 A HN 0.504 nan 8.150 nan 0.000 0.443 232 I N -0.503 120.122 120.570 0.092 0.000 2.233 232 I HA -0.214 3.955 4.170 -0.000 0.000 0.243 232 I C 2.936 179.101 176.117 0.080 0.000 1.093 232 I CA 0.993 62.346 61.300 0.087 0.000 1.380 232 I CB -0.327 37.708 38.000 0.059 0.000 1.067 232 I HN 0.341 nan 8.210 nan 0.000 0.413 233 A N -0.137 122.713 122.820 0.050 0.000 1.972 233 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 233 A C 2.294 179.891 177.584 0.022 0.000 1.169 233 A CA 1.919 53.969 52.037 0.021 0.000 0.635 233 A CB -0.423 18.565 19.000 -0.020 0.000 0.810 233 A HN 0.405 nan 8.150 nan 0.000 0.446 234 S N -1.012 114.706 115.700 0.031 0.000 2.556 234 S HA 0.083 4.553 4.470 -0.000 0.000 0.216 234 S C 0.583 175.195 174.600 0.021 0.000 0.970 234 S CA -0.556 57.651 58.200 0.011 0.000 0.912 234 S CB -0.224 62.969 63.200 -0.012 0.000 0.790 234 S HN 0.668 nan 8.310 nan 0.000 0.504 235 H N 2.839 121.902 119.070 -0.011 0.000 2.964 235 H HA 0.074 4.629 4.556 -0.000 0.000 0.328 235 H C 0.883 176.204 175.328 -0.012 0.000 1.030 235 H CA 0.583 56.626 56.048 -0.009 0.000 1.445 235 H CB 0.637 30.394 29.762 -0.007 0.000 1.449 235 H HN 0.127 nan 8.280 nan 0.000 0.581 236 E N 2.932 123.120 120.200 -0.020 0.000 2.347 236 E HA -0.123 4.227 4.350 -0.000 0.000 0.196 236 E C 0.642 177.346 176.600 0.173 0.000 1.008 236 E CA 0.784 57.215 56.400 0.050 0.000 0.852 236 E CB 0.238 29.914 29.700 -0.041 0.000 0.783 236 E HN 0.584 nan 8.360 nan 0.000 0.505 237 D N -0.314 120.351 120.400 0.442 0.000 2.462 237 D HA 0.058 4.698 4.640 -0.000 0.000 0.221 237 D C -0.817 175.503 176.300 0.033 0.000 1.173 237 D CA -0.058 54.061 54.000 0.198 0.000 0.831 237 D CB 0.579 41.489 40.800 0.185 0.000 1.001 237 D HN -0.223 nan 8.370 nan 0.000 0.499 238 V N 1.546 121.489 119.914 0.047 0.000 2.370 238 V HA 0.170 4.289 4.120 -0.000 0.000 0.279 238 V C 0.821 176.901 176.094 -0.024 0.000 1.029 238 V CA -0.500 61.775 62.300 -0.041 0.000 0.870 238 V CB 1.795 33.600 31.823 -0.029 0.000 0.984 238 V HN 0.061 nan 8.190 nan 0.000 0.451 239 D N 2.812 123.175 120.400 -0.062 0.000 2.194 239 D HA 0.033 4.673 4.640 -0.000 0.000 0.204 239 D C 0.804 177.069 176.300 -0.059 0.000 0.964 239 D CA 1.000 54.963 54.000 -0.062 0.000 0.846 239 D CB 0.577 41.316 40.800 -0.102 0.000 0.962 239 D HN 0.366 nan 8.370 nan 0.000 0.490 240 K N 0.551 120.916 120.400 -0.059 0.000 2.546 240 K HA 0.362 4.682 4.320 -0.000 0.000 0.264 240 K C -2.002 174.577 176.600 -0.034 0.000 0.937 240 K CA -0.621 55.626 56.287 -0.066 0.000 0.833 240 K CB 2.937 35.369 32.500 -0.114 0.000 1.378 240 K HN -0.138 nan 8.250 nan 0.000 0.432 241 V N 1.888 121.785 119.914 -0.027 0.000 2.656 241 V HA 0.840 4.960 4.120 -0.000 0.000 0.307 241 V C -1.418 174.698 176.094 0.036 0.000 1.051 241 V CA -0.403 61.910 62.300 0.022 0.000 0.893 241 V CB 1.643 33.485 31.823 0.033 0.000 0.999 241 V HN 0.879 nan 8.190 nan 0.000 0.426 242 A N 6.444 129.323 122.820 0.097 0.000 2.319 242 A HA 0.841 5.161 4.320 -0.000 0.000 0.310 242 A C -1.350 176.358 177.584 0.208 0.000 1.152 242 A CA -0.431 51.683 52.037 0.128 0.000 0.783 242 A CB 0.974 20.068 19.000 0.158 0.000 1.184 242 A HN 1.172 nan 8.150 nan 0.000 0.474 243 F N 2.075 122.054 119.950 0.048 0.000 2.540 243 F HA 0.725 5.252 4.527 -0.000 0.000 0.317 243 F C -0.381 175.457 175.800 0.062 0.000 1.104 243 F CA -0.043 57.986 58.000 0.048 0.000 0.913 243 F CB 2.335 41.353 39.000 0.031 0.000 1.170 243 F HN 0.400 nan 8.300 nan 0.000 0.450 244 T N 4.538 118.595 114.554 -0.830 0.000 2.840 244 T HA 0.772 5.122 4.350 -0.000 0.000 0.287 244 T C -0.184 173.868 174.700 -1.080 0.000 0.991 244 T CA -0.287 61.440 62.100 -0.622 0.000 0.964 244 T CB 1.132 69.853 68.868 -0.245 0.000 0.954 244 T HN 1.109 nan 8.240 nan 0.000 0.438 245 G N 1.888 110.253 108.800 -0.725 0.000 2.392 245 G HA2 0.482 4.442 3.960 -0.000 0.000 0.260 245 G HA3 0.482 4.442 3.960 -0.000 0.000 0.260 245 G C -0.559 174.339 174.900 -0.003 0.000 1.226 245 G CA -0.253 44.596 45.100 -0.419 0.000 0.913 245 G HN 0.897 nan 8.290 nan 0.000 0.483 246 S N -0.624 115.162 115.700 0.142 0.000 2.593 246 S HA 0.437 4.907 4.470 -0.000 0.000 0.269 246 S C 1.277 176.014 174.600 0.228 0.000 1.334 246 S CA 1.030 59.307 58.200 0.128 0.000 1.015 246 S CB 1.315 64.572 63.200 0.094 0.000 0.912 246 S HN 0.746 nan 8.310 nan 0.000 0.541 247 T N 0.944 115.609 114.554 0.184 0.000 2.821 247 T HA -0.098 4.252 4.350 -0.000 0.000 0.267 247 T C 1.633 176.386 174.700 0.088 0.000 1.046 247 T CA 1.598 63.795 62.100 0.161 0.000 1.139 247 T CB -0.473 68.497 68.868 0.169 0.000 0.871 247 T HN 0.837 nan 8.240 nan 0.000 0.454 248 E N 0.490 120.737 120.200 0.078 0.000 2.058 248 E HA -0.144 4.206 4.350 -0.000 0.000 0.194 248 E C 1.914 178.510 176.600 -0.007 0.000 0.997 248 E CA 1.066 57.486 56.400 0.034 0.000 0.801 248 E CB -0.021 29.706 29.700 0.044 0.000 0.746 248 E HN 0.295 nan 8.360 nan 0.000 0.450 249 I N 0.728 121.302 120.570 0.007 0.000 2.546 249 I HA -0.076 4.094 4.170 -0.000 0.000 0.255 249 I C 2.478 178.357 176.117 -0.398 0.000 1.163 249 I CA 1.141 62.358 61.300 -0.137 0.000 1.457 249 I CB -1.595 36.392 38.000 -0.021 0.000 1.092 249 I HN 0.209 nan 8.210 nan 0.000 0.434 250 G N 1.262 109.921 108.800 -0.235 0.000 2.442 250 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.219 250 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.219 250 G C 1.878 176.668 174.900 -0.183 0.000 1.141 250 G CA 0.403 45.358 45.100 -0.240 0.000 0.763 250 G HN 0.327 nan 8.290 nan 0.000 0.554 251 R N -0.224 120.210 120.500 -0.110 0.000 2.081 251 R HA -0.002 4.338 4.340 -0.000 0.000 0.235 251 R C 2.607 178.841 176.300 -0.110 0.000 1.131 251 R CA 1.112 57.160 56.100 -0.086 0.000 0.960 251 R CB -0.608 29.659 30.300 -0.055 0.000 0.856 251 R HN 0.284 nan 8.270 nan 0.000 0.436 252 V N 1.426 121.257 119.914 -0.139 0.000 2.407 252 V HA -0.227 3.893 4.120 -0.000 0.000 0.248 252 V C 2.279 178.277 176.094 -0.160 0.000 1.055 252 V CA 1.402 63.622 62.300 -0.133 0.000 1.049 252 V CB -0.414 31.331 31.823 -0.130 0.000 0.662 252 V HN 0.252 nan 8.190 nan 0.000 0.455 253 I N 0.017 120.434 120.570 -0.255 0.000 2.142 253 I HA -0.279 3.891 4.170 -0.000 0.000 0.240 253 I C 2.559 178.595 176.117 -0.135 0.000 1.078 253 I CA 2.005 63.160 61.300 -0.241 0.000 1.343 253 I CB -1.182 36.577 38.000 -0.402 0.000 1.046 253 I HN 0.427 nan 8.210 nan 0.000 0.405 254 Q N 0.683 120.412 119.800 -0.119 0.000 2.124 254 Q HA -0.142 4.198 4.340 -0.000 0.000 0.202 254 Q C 2.249 178.211 176.000 -0.063 0.000 0.977 254 Q CA 1.568 57.327 55.803 -0.074 0.000 0.850 254 Q CB 0.084 28.785 28.738 -0.061 0.000 0.901 254 Q HN 0.303 nan 8.270 nan 0.000 0.429 255 V N 0.596 120.469 119.914 -0.068 0.000 2.427 255 V HA -0.225 3.895 4.120 -0.000 0.000 0.248 255 V C 2.263 178.327 176.094 -0.050 0.000 1.051 255 V CA 1.627 63.894 62.300 -0.054 0.000 1.048 255 V CB -0.890 30.901 31.823 -0.054 0.000 0.666 255 V HN 0.546 nan 8.190 nan 0.000 0.456 256 A N -0.034 122.752 122.820 -0.057 0.000 1.930 256 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 256 A C 2.419 179.982 177.584 -0.035 0.000 1.175 256 A CA 1.932 53.942 52.037 -0.046 0.000 0.627 256 A CB -0.688 18.282 19.000 -0.051 0.000 0.815 256 A HN 0.546 nan 8.150 nan 0.000 0.443 257 A N -0.480 122.317 122.820 -0.039 0.000 1.877 257 A HA 0.128 4.448 4.320 -0.000 0.000 0.216 257 A C 2.391 179.958 177.584 -0.028 0.000 1.186 257 A CA 1.905 53.924 52.037 -0.030 0.000 0.620 257 A CB -1.320 17.659 19.000 -0.034 0.000 0.822 257 A HN 0.717 nan 8.150 nan 0.000 0.443 258 G N -1.207 107.573 108.800 -0.032 0.000 2.421 258 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.217 258 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.217 258 G C 1.683 176.567 174.900 -0.026 0.000 1.143 258 G CA 1.173 46.255 45.100 -0.029 0.000 0.784 258 G HN 0.485 nan 8.290 nan 0.000 0.541 259 S N 0.315 115.998 115.700 -0.028 0.000 2.461 259 S HA 0.003 4.473 4.470 -0.000 0.000 0.228 259 S C 2.356 176.941 174.600 -0.024 0.000 1.005 259 S CA 1.016 59.200 58.200 -0.026 0.000 0.942 259 S CB 0.005 63.188 63.200 -0.029 0.000 0.776 259 S HN 0.631 nan 8.310 nan 0.000 0.514 260 S N 3.360 119.047 115.700 -0.022 0.000 3.224 260 S HA 0.092 4.562 4.470 -0.000 0.000 0.171 260 S C 0.968 175.559 174.600 -0.014 0.000 0.846 260 S CA 0.171 58.359 58.200 -0.019 0.000 1.328 260 S CB -0.584 62.608 63.200 -0.014 0.000 0.614 260 S HN 0.479 nan 8.310 nan 0.000 0.578 261 N N 1.334 120.031 118.700 -0.006 0.000 2.251 261 N HA 0.236 4.976 4.740 -0.000 0.000 0.217 261 N C 0.172 175.677 175.510 -0.008 0.000 1.124 261 N CA -0.083 52.965 53.050 -0.003 0.000 0.843 261 N CB -0.647 37.846 38.487 0.010 0.000 1.024 261 N HN 0.654 nan 8.380 nan 0.000 0.501 262 L N -0.552 120.663 121.223 -0.014 0.000 3.865 262 L HA -0.291 4.049 4.340 -0.000 0.000 0.408 262 L C -0.055 176.802 176.870 -0.022 0.000 1.209 262 L CA 0.579 55.408 54.840 -0.019 0.000 0.940 262 L CB -1.756 40.291 42.059 -0.020 0.000 1.971 262 L HN 0.449 nan 8.230 nan 0.000 0.899 263 K N -0.112 120.277 120.400 -0.019 0.000 2.414 263 K HA 0.393 4.713 4.320 -0.000 0.000 0.272 263 K C 0.401 176.979 176.600 -0.037 0.000 0.993 263 K CA -0.606 55.666 56.287 -0.025 0.000 0.964 263 K CB 0.455 32.945 32.500 -0.016 0.000 0.925 263 K HN 0.006 nan 8.250 nan 0.000 0.487 264 R N 0.923 121.392 120.500 -0.051 0.000 2.643 264 R HA 0.213 4.553 4.340 -0.000 0.000 0.270 264 R C -0.541 175.719 176.300 -0.067 0.000 1.061 264 R CA -0.271 55.789 56.100 -0.066 0.000 1.107 264 R CB 0.765 31.011 30.300 -0.090 0.000 0.999 264 R HN 0.465 nan 8.270 nan 0.000 0.460 265 V N 1.153 121.030 119.914 -0.062 0.000 2.789 265 V HA 0.616 4.736 4.120 -0.000 0.000 0.311 265 V C -0.577 175.491 176.094 -0.043 0.000 1.073 265 V CA -0.843 61.430 62.300 -0.044 0.000 0.921 265 V CB 2.295 34.100 31.823 -0.029 0.000 1.009 265 V HN 0.985 nan 8.190 nan 0.000 0.426 266 T N 2.244 116.787 114.554 -0.018 0.000 2.916 266 T HA 0.842 5.191 4.350 -0.000 0.000 0.298 266 T C -1.110 173.636 174.700 0.077 0.000 1.031 266 T CA -0.653 61.447 62.100 0.001 0.000 0.993 266 T CB 1.534 70.379 68.868 -0.037 0.000 1.045 266 T HN 0.412 nan 8.240 nan 0.000 0.454 267 L N 1.934 123.212 121.223 0.092 0.000 2.408 267 L HA 0.634 4.974 4.340 -0.000 0.000 0.268 267 L C -0.418 176.540 176.870 0.146 0.000 0.986 267 L CA -0.926 54.016 54.840 0.170 0.000 0.820 267 L CB 2.311 44.470 42.059 0.167 0.000 1.303 267 L HN 0.633 nan 8.230 nan 0.000 0.411 268 E N 4.656 124.955 120.200 0.165 0.000 2.255 268 E HA 0.475 4.825 4.350 -0.000 0.000 0.245 268 E C -0.823 175.855 176.600 0.130 0.000 0.909 268 E CA -0.234 56.255 56.400 0.147 0.000 0.747 268 E CB 2.112 31.925 29.700 0.189 0.000 1.215 268 E HN 0.468 nan 8.360 nan 0.000 0.424 269 L N 0.138 121.452 121.223 0.151 0.000 2.687 269 L HA 0.604 4.944 4.340 -0.000 0.000 0.252 269 L C 1.387 178.334 176.870 0.130 0.000 1.115 269 L CA -0.997 53.940 54.840 0.161 0.000 0.893 269 L CB 0.176 42.361 42.059 0.211 0.000 1.670 269 L HN 0.401 nan 8.230 nan 0.000 0.531 270 G N -1.542 107.330 108.800 0.120 0.000 2.525 270 G HA2 0.519 4.479 3.960 -0.000 0.000 0.276 270 G HA3 0.519 4.479 3.960 -0.000 0.000 0.276 270 G C -0.387 174.389 174.900 -0.207 0.000 1.388 270 G CA 0.257 45.334 45.100 -0.038 0.000 1.050 270 G HN 0.873 nan 8.290 nan 0.000 0.520 271 G N -2.305 106.117 108.800 -0.631 0.000 2.559 271 G HA2 0.486 4.446 3.960 -0.000 0.000 0.291 271 G HA3 0.486 4.446 3.960 -0.000 0.000 0.291 271 G C -1.357 173.134 174.900 -0.682 0.000 1.424 271 G CA -0.467 44.215 45.100 -0.697 0.000 0.786 271 G HN 0.617 nan 8.290 nan 0.000 0.485 272 K N 0.482 120.709 120.400 -0.288 0.000 3.350 272 K HA 0.428 4.748 4.320 -0.000 0.000 0.167 272 K C -0.025 176.616 176.600 0.068 0.000 1.058 272 K CA -0.321 55.922 56.287 -0.072 0.000 0.783 272 K CB 0.194 32.730 32.500 0.061 0.000 0.872 272 K HN 0.466 nan 8.250 nan 0.000 0.561 273 S N 3.482 119.242 115.700 0.100 0.000 2.546 273 S HA 0.132 4.602 4.470 -0.000 0.000 0.290 273 S C -2.327 172.409 174.600 0.226 0.000 1.290 273 S CA -0.464 57.848 58.200 0.187 0.000 1.069 273 S CB 0.298 63.676 63.200 0.296 0.000 0.846 273 S HN 0.356 nan 8.310 nan 0.000 0.495 274 P HA 0.208 nan 4.420 nan 0.000 0.292 274 P C -1.131 176.381 177.300 0.354 0.000 1.287 274 P CA -0.652 62.646 63.100 0.331 0.000 0.800 274 P CB 0.528 32.438 31.700 0.351 0.000 0.945 275 N N 3.927 122.836 118.700 0.347 0.000 2.564 275 N HA 0.312 5.052 4.740 -0.000 0.000 0.248 275 N C -0.691 175.013 175.510 0.324 0.000 0.986 275 N CA -0.626 52.647 53.050 0.372 0.000 0.921 275 N CB 0.472 39.083 38.487 0.207 0.000 1.136 275 N HN 0.310 nan 8.380 nan 0.000 0.509 276 I N 4.530 125.296 120.570 0.327 0.000 2.325 276 I HA 0.266 4.435 4.170 -0.000 0.000 0.291 276 I C -0.127 176.189 176.117 0.332 0.000 1.019 276 I CA -0.660 60.792 61.300 0.254 0.000 1.302 276 I CB 1.070 39.102 38.000 0.053 0.000 1.401 276 I HN 0.380 nan 8.210 nan 0.000 0.485 277 I N 7.106 127.851 120.570 0.292 0.000 2.330 277 I HA 0.319 4.489 4.170 -0.000 0.000 0.286 277 I C 0.146 176.448 176.117 0.308 0.000 1.025 277 I CA -0.547 60.894 61.300 0.235 0.000 1.197 277 I CB 0.907 38.837 38.000 -0.116 0.000 1.358 277 I HN 0.472 nan 8.210 nan 0.000 0.467 278 M N 3.712 123.502 119.600 0.318 0.000 2.247 278 M HA 0.153 4.633 4.480 -0.000 0.000 0.326 278 M C 1.699 178.096 176.300 0.162 0.000 1.134 278 M CA -0.060 55.406 55.300 0.275 0.000 1.136 278 M CB 0.798 33.543 32.600 0.242 0.000 1.454 278 M HN 0.670 nan 8.290 nan 0.000 0.467 279 S N 0.455 116.209 115.700 0.089 0.000 2.440 279 S HA -0.165 4.305 4.470 -0.000 0.000 0.238 279 S C 0.823 175.477 174.600 0.089 0.000 1.010 279 S CA 1.469 59.705 58.200 0.059 0.000 0.972 279 S CB -0.528 62.680 63.200 0.013 0.000 0.774 279 S HN 0.750 nan 8.310 nan 0.000 0.501 280 D N 1.614 122.078 120.400 0.106 0.000 2.328 280 D HA 0.374 5.014 4.640 -0.000 0.000 0.221 280 D C 0.604 176.989 176.300 0.142 0.000 1.072 280 D CA 0.185 54.248 54.000 0.106 0.000 0.850 280 D CB -0.323 40.528 40.800 0.086 0.000 0.922 280 D HN 0.529 nan 8.370 nan 0.000 0.516 281 A N 0.470 123.402 122.820 0.187 0.000 2.366 281 A HA 0.132 4.452 4.320 -0.000 0.000 0.249 281 A C 0.301 178.030 177.584 0.241 0.000 1.084 281 A CA -0.385 51.807 52.037 0.258 0.000 0.794 281 A CB 0.203 19.408 19.000 0.342 0.000 1.034 281 A HN 0.224 nan 8.150 nan 0.000 0.491 282 D N 1.891 122.467 120.400 0.293 0.000 2.344 282 D HA 0.112 4.752 4.640 -0.000 0.000 0.253 282 D C 1.080 177.549 176.300 0.281 0.000 1.255 282 D CA -0.278 53.876 54.000 0.257 0.000 0.894 282 D CB 0.511 41.474 40.800 0.272 0.000 1.067 282 D HN 0.474 nan 8.370 nan 0.000 0.492 283 M N 4.385 124.107 119.600 0.204 0.000 2.110 283 M HA -0.236 4.244 4.480 -0.000 0.000 0.257 283 M C 1.142 177.524 176.300 0.136 0.000 1.071 283 M CA 1.828 57.235 55.300 0.179 0.000 1.096 283 M CB -0.368 32.307 32.600 0.126 0.000 1.300 283 M HN 0.362 nan 8.290 nan 0.000 0.411 284 D N -1.057 119.421 120.400 0.130 0.000 2.104 284 D HA -0.252 4.388 4.640 -0.000 0.000 0.194 284 D C 1.869 178.268 176.300 0.166 0.000 0.994 284 D CA 1.542 55.604 54.000 0.104 0.000 0.830 284 D CB -0.777 40.091 40.800 0.112 0.000 0.959 284 D HN 0.668 nan 8.370 nan 0.000 0.452 285 W N 1.696 123.026 121.300 0.050 0.000 2.355 285 W HA -0.191 4.469 4.660 -0.000 0.000 0.309 285 W C 2.233 178.789 176.519 0.062 0.000 1.206 285 W CA 1.603 58.999 57.345 0.085 0.000 1.284 285 W CB -0.084 29.468 29.460 0.154 0.000 1.145 285 W HN -0.024 nan 8.180 nan 0.000 0.502 286 A N 0.377 123.241 122.820 0.074 0.000 1.908 286 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 286 A C 2.038 179.499 177.584 -0.205 0.000 1.181 286 A CA 2.246 54.126 52.037 -0.261 0.000 0.627 286 A CB -1.187 17.844 19.000 0.052 0.000 0.818 286 A HN 0.173 nan 8.150 nan 0.000 0.445 287 V N -0.122 119.705 119.914 -0.145 0.000 2.261 287 V HA -0.245 3.874 4.120 -0.000 0.000 0.246 287 V C 2.647 178.590 176.094 -0.252 0.000 1.047 287 V CA 2.487 64.556 62.300 -0.385 0.000 1.015 287 V CB -0.695 30.868 31.823 -0.432 0.000 0.642 287 V HN 0.691 nan 8.190 nan 0.000 0.446 288 E N -0.166 119.906 120.200 -0.213 0.000 2.077 288 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 288 E C 2.281 178.769 176.600 -0.188 0.000 0.989 288 E CA 1.342 57.637 56.400 -0.176 0.000 0.800 288 E CB -0.259 29.346 29.700 -0.158 0.000 0.746 288 E HN 0.484 nan 8.360 nan 0.000 0.452 289 Q N -0.382 119.164 119.800 -0.424 0.000 2.119 289 Q HA -0.016 4.324 4.340 -0.000 0.000 0.201 289 Q C 2.106 177.984 176.000 -0.203 0.000 0.972 289 Q CA 1.379 56.943 55.803 -0.398 0.000 0.847 289 Q CB -0.443 27.921 28.738 -0.623 0.000 0.903 289 Q HN 0.378 nan 8.270 nan 0.000 0.433 290 A N -0.032 122.645 122.820 -0.238 0.000 1.930 290 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 290 A C 1.917 179.490 177.584 -0.019 0.000 1.175 290 A CA 1.836 53.797 52.037 -0.125 0.000 0.627 290 A CB -0.710 18.358 19.000 0.114 0.000 0.815 290 A HN 0.470 nan 8.150 nan 0.000 0.443 291 H N -1.722 117.339 119.070 -0.014 0.000 2.326 291 H HA -0.128 4.428 4.556 -0.000 0.000 0.301 291 H C 1.710 177.171 175.328 0.221 0.000 1.081 291 H CA 2.179 58.320 56.048 0.155 0.000 1.334 291 H CB -0.378 29.415 29.762 0.052 0.000 1.385 291 H HN 0.451 nan 8.280 nan 0.000 0.504 292 F N 0.808 120.793 119.950 0.059 0.000 2.134 292 F HA -0.136 4.391 4.527 -0.000 0.000 0.299 292 F C 2.524 178.287 175.800 -0.063 0.000 1.097 292 F CA 1.441 59.455 58.000 0.024 0.000 1.264 292 F CB -0.734 38.237 39.000 -0.048 0.000 1.001 292 F HN 0.290 nan 8.300 nan 0.000 0.479 293 A N 0.148 122.897 122.820 -0.118 0.000 1.948 293 A HA -0.212 4.108 4.320 -0.000 0.000 0.220 293 A C 2.136 179.464 177.584 -0.428 0.000 1.177 293 A CA 2.183 53.910 52.037 -0.517 0.000 0.636 293 A CB -1.019 17.331 19.000 -1.084 0.000 0.815 293 A HN 0.597 nan 8.150 nan 0.000 0.449 294 L N -3.120 117.885 121.223 -0.364 0.000 2.349 294 L HA 0.293 4.633 4.340 -0.000 0.000 0.200 294 L C 1.928 178.504 176.870 -0.490 0.000 1.064 294 L CA 0.771 55.346 54.840 -0.441 0.000 0.821 294 L CB -0.009 41.704 42.059 -0.577 0.000 1.027 294 L HN 0.277 nan 8.230 nan 0.000 0.476 295 F N -0.648 119.102 119.950 -0.333 0.000 2.661 295 F HA -0.001 4.526 4.527 -0.000 0.000 0.298 295 F C 0.985 176.642 175.800 -0.238 0.000 1.137 295 F CA 0.025 57.837 58.000 -0.313 0.000 1.454 295 F CB -0.432 38.282 39.000 -0.476 0.000 1.103 295 F HN -0.052 nan 8.300 nan 0.000 0.577 296 F N 2.070 121.819 119.950 -0.334 0.000 2.607 296 F HA -0.036 4.491 4.527 -0.000 0.000 0.374 296 F C 1.205 176.855 175.800 -0.249 0.000 1.104 296 F CA -0.206 57.546 58.000 -0.414 0.000 1.296 296 F CB 0.147 38.647 39.000 -0.835 0.000 1.085 296 F HN 0.096 nan 8.300 nan 0.000 0.584 297 N N 3.698 121.795 118.700 -1.004 0.000 2.714 297 N HA -0.302 4.438 4.740 -0.000 0.000 0.253 297 N C -0.023 175.189 175.510 -0.496 0.000 1.024 297 N CA 1.335 53.846 53.050 -0.898 0.000 0.726 297 N CB -0.958 36.807 38.487 -1.203 0.000 0.908 297 N HN 0.778 nan 8.380 nan 0.000 0.542 298 Q N -1.788 117.838 119.800 -0.291 0.000 2.450 298 Q HA -0.190 4.150 4.340 -0.000 0.000 0.255 298 Q C 1.257 177.147 176.000 -0.183 0.000 1.003 298 Q CA 2.333 58.041 55.803 -0.158 0.000 1.097 298 Q CB -1.815 26.838 28.738 -0.142 0.000 1.544 298 Q HN 1.276 nan 8.270 nan 0.000 0.531 299 G N -1.103 107.543 108.800 -0.257 0.000 2.184 299 G HA2 -0.390 3.569 3.960 -0.000 0.000 0.264 299 G HA3 -0.390 3.569 3.960 -0.000 0.000 0.264 299 G C 0.131 174.716 174.900 -0.524 0.000 0.975 299 G CA 0.399 45.307 45.100 -0.320 0.000 0.642 299 G HN 0.461 nan 8.290 nan 0.000 0.536 300 Q N -0.058 119.353 119.800 -0.647 0.000 3.247 300 Q HA 0.465 4.805 4.340 -0.000 0.000 0.326 300 Q C 0.067 175.460 176.000 -1.012 0.000 1.402 300 Q CA 0.000 55.063 55.803 -1.234 0.000 0.994 300 Q CB 0.543 28.934 28.738 -0.577 0.000 1.647 300 Q HN 0.406 nan 8.270 nan 0.000 0.523 301 C N -0.048 118.834 119.300 -0.696 0.000 2.431 301 C HA 0.301 4.761 4.460 -0.000 0.000 0.321 301 C C 2.078 177.180 174.990 0.187 0.000 1.202 301 C CA -0.798 58.203 59.018 -0.029 0.000 1.398 301 C CB -0.022 27.831 27.740 0.187 0.000 2.047 301 C HN 0.967 nan 8.230 nan 0.000 0.465 302 C N 2.128 121.663 119.300 0.392 0.000 2.401 302 C HA -0.126 4.334 4.460 -0.000 0.000 0.276 302 C C 2.107 177.315 174.990 0.362 0.000 1.233 302 C CA 1.720 60.990 59.018 0.420 0.000 1.753 302 C CB -2.406 25.558 27.740 0.374 0.000 2.029 302 C HN 1.015 nan 8.230 nan 0.000 0.478 303 C N 1.646 121.238 119.300 0.486 0.000 2.435 303 C HA 0.732 5.192 4.460 -0.000 0.000 0.326 303 C C 1.275 176.590 174.990 0.542 0.000 1.328 303 C CA -0.932 58.404 59.018 0.531 0.000 1.741 303 C CB -2.668 25.551 27.740 0.798 0.000 1.998 303 C HN 0.761 nan 8.230 nan 0.000 0.585 304 A N 0.983 124.006 122.820 0.339 0.000 2.540 304 A HA 0.471 4.791 4.320 -0.000 0.000 0.239 304 A C 1.151 178.828 177.584 0.155 0.000 1.061 304 A CA 0.724 52.877 52.037 0.194 0.000 0.758 304 A CB -0.058 18.943 19.000 0.002 0.000 0.991 304 A HN 1.128 nan 8.150 nan 0.000 0.502 305 G N 1.717 110.489 108.800 -0.047 0.000 3.008 305 G HA2 0.312 4.272 3.960 -0.000 0.000 0.272 305 G HA3 0.312 4.272 3.960 -0.000 0.000 0.272 305 G C 0.927 175.757 174.900 -0.115 0.000 0.764 305 G CA 0.392 45.430 45.100 -0.103 0.000 2.029 305 G HN 1.189 nan 8.290 nan 0.000 0.587 306 S N 0.753 116.422 115.700 -0.052 0.000 2.603 306 S HA 0.153 4.623 4.470 -0.000 0.000 0.220 306 S C 0.993 175.537 174.600 -0.093 0.000 0.967 306 S CA -0.186 57.956 58.200 -0.097 0.000 0.920 306 S CB 0.347 63.496 63.200 -0.085 0.000 0.773 306 S HN 0.416 nan 8.310 nan 0.000 0.529 307 R N 1.638 122.095 120.500 -0.071 0.000 2.607 307 R HA 0.239 4.579 4.340 -0.000 0.000 0.278 307 R C -1.274 174.918 176.300 -0.180 0.000 1.637 307 R CA -0.084 55.913 56.100 -0.171 0.000 1.325 307 R CB 1.250 31.485 30.300 -0.109 0.000 1.211 307 R HN 0.168 nan 8.270 nan 0.000 0.565 308 T N 3.574 118.020 114.554 -0.181 0.000 2.863 308 T HA 0.242 4.592 4.350 -0.000 0.000 0.299 308 T C -0.068 174.559 174.700 -0.122 0.000 0.973 308 T CA 0.072 62.119 62.100 -0.088 0.000 0.994 308 T CB -0.197 68.655 68.868 -0.026 0.000 0.961 308 T HN 0.159 nan 8.240 nan 0.000 0.552 309 F N 2.622 122.604 119.950 0.053 0.000 2.424 309 F HA 0.428 4.955 4.527 -0.000 0.000 0.356 309 F C 0.361 176.315 175.800 0.258 0.000 1.110 309 F CA -0.691 57.404 58.000 0.158 0.000 1.161 309 F CB 0.856 39.853 39.000 -0.005 0.000 1.115 309 F HN 0.187 nan 8.300 nan 0.000 0.507 310 V N 3.948 124.135 119.914 0.455 0.000 2.487 310 V HA 0.239 4.359 4.120 -0.000 0.000 0.298 310 V C -0.125 175.961 176.094 -0.013 0.000 1.028 310 V CA -1.102 61.290 62.300 0.153 0.000 0.860 310 V CB 1.546 33.257 31.823 -0.186 0.000 0.991 310 V HN 0.548 nan 8.190 nan 0.000 0.427 311 Q N 3.243 122.810 119.800 -0.388 0.000 2.300 311 Q HA 0.010 4.350 4.340 -0.000 0.000 0.280 311 Q C 1.467 177.291 176.000 -0.294 0.000 1.033 311 Q CA 0.317 55.630 55.803 -0.816 0.000 0.903 311 Q CB 1.061 29.465 28.738 -0.558 0.000 1.195 311 Q HN 1.008 nan 8.270 nan 0.000 0.386 312 E N 2.641 122.669 120.200 -0.288 0.000 2.219 312 E HA -0.259 4.091 4.350 -0.000 0.000 0.198 312 E C 0.086 176.674 176.600 -0.019 0.000 0.998 312 E CA 1.593 57.927 56.400 -0.110 0.000 0.818 312 E CB 0.136 29.753 29.700 -0.139 0.000 0.741 312 E HN 0.515 nan 8.360 nan 0.000 0.477 313 D N 1.138 121.512 120.400 -0.043 0.000 2.224 313 D HA -0.044 4.596 4.640 -0.000 0.000 0.205 313 D C 1.987 178.314 176.300 0.045 0.000 0.965 313 D CA 1.183 55.184 54.000 0.002 0.000 0.852 313 D CB 0.030 40.823 40.800 -0.011 0.000 0.947 313 D HN 0.616 nan 8.370 nan 0.000 0.494 314 I N -3.503 117.102 120.570 0.059 0.000 4.154 314 I HA 0.190 4.360 4.170 -0.000 0.000 0.334 314 I C 1.777 177.987 176.117 0.154 0.000 1.371 314 I CA -0.524 60.837 61.300 0.101 0.000 1.110 314 I CB -0.071 37.988 38.000 0.098 0.000 1.085 314 I HN -0.237 nan 8.210 nan 0.000 0.398 315 Y N 2.980 123.295 120.300 0.026 0.000 2.053 315 Y HA -0.321 4.229 4.550 -0.000 0.000 0.277 315 Y C 2.122 178.095 175.900 0.121 0.000 1.159 315 Y CA 2.440 60.574 58.100 0.057 0.000 1.125 315 Y CB -0.165 38.301 38.460 0.010 0.000 0.969 315 Y HN 0.198 nan 8.280 nan 0.000 0.492 316 D N 0.108 120.654 120.400 0.243 0.000 2.106 316 D HA -0.245 4.395 4.640 -0.000 0.000 0.191 316 D C 2.116 178.438 176.300 0.037 0.000 0.997 316 D CA 1.896 55.975 54.000 0.133 0.000 0.834 316 D CB -0.547 40.343 40.800 0.149 0.000 0.956 316 D HN 0.611 nan 8.370 nan 0.000 0.448 317 E N -0.664 119.575 120.200 0.065 0.000 2.077 317 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 317 E C 2.106 178.718 176.600 0.019 0.000 0.989 317 E CA 0.479 56.902 56.400 0.039 0.000 0.800 317 E CB -0.212 29.522 29.700 0.058 0.000 0.746 317 E HN 0.227 nan 8.360 nan 0.000 0.452 318 F N 0.625 120.522 119.950 -0.088 0.000 2.134 318 F HA -0.219 4.308 4.527 -0.000 0.000 0.299 318 F C 2.071 177.775 175.800 -0.160 0.000 1.097 318 F CA 1.265 59.197 58.000 -0.113 0.000 1.264 318 F CB -0.148 38.782 39.000 -0.116 0.000 1.001 318 F HN -0.117 nan 8.300 nan 0.000 0.479 319 V N 0.450 120.334 119.914 -0.049 0.000 2.295 319 V HA -0.296 3.824 4.120 -0.000 0.000 0.246 319 V C 2.192 178.211 176.094 -0.126 0.000 1.049 319 V CA 2.317 64.536 62.300 -0.136 0.000 1.024 319 V CB -0.713 30.946 31.823 -0.274 0.000 0.648 319 V HN 0.349 nan 8.190 nan 0.000 0.447 320 E N -0.063 120.077 120.200 -0.100 0.000 2.058 320 E HA -0.252 4.098 4.350 -0.000 0.000 0.194 320 E C 2.464 178.991 176.600 -0.122 0.000 0.997 320 E CA 1.455 57.805 56.400 -0.083 0.000 0.801 320 E CB -0.220 29.448 29.700 -0.052 0.000 0.746 320 E HN 0.529 nan 8.360 nan 0.000 0.450 321 R N 0.375 120.772 120.500 -0.172 0.000 2.096 321 R HA -0.052 4.288 4.340 -0.000 0.000 0.235 321 R C 2.588 178.731 176.300 -0.261 0.000 1.127 321 R CA 1.292 57.263 56.100 -0.215 0.000 0.968 321 R CB -0.143 30.004 30.300 -0.255 0.000 0.861 321 R HN -0.000 nan 8.270 nan 0.000 0.440 322 S N 0.218 115.719 115.700 -0.332 0.000 2.368 322 S HA -0.096 4.374 4.470 -0.000 0.000 0.225 322 S C 2.074 176.606 174.600 -0.114 0.000 1.030 322 S CA 1.162 59.208 58.200 -0.256 0.000 0.999 322 S CB -0.098 62.949 63.200 -0.255 0.000 0.844 322 S HN 0.068 nan 8.310 nan 0.000 0.459 323 V N 1.973 121.827 119.914 -0.101 0.000 2.343 323 V HA -0.188 3.932 4.120 -0.000 0.000 0.247 323 V C 2.633 178.671 176.094 -0.093 0.000 1.051 323 V CA 1.681 63.940 62.300 -0.069 0.000 1.036 323 V CB -1.177 30.611 31.823 -0.058 0.000 0.654 323 V HN 0.534 nan 8.190 nan 0.000 0.451 324 A N 0.280 123.032 122.820 -0.113 0.000 1.902 324 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 324 A C 2.304 179.793 177.584 -0.158 0.000 1.181 324 A CA 2.212 54.177 52.037 -0.119 0.000 0.623 324 A CB -0.525 18.407 19.000 -0.114 0.000 0.818 324 A HN 0.455 nan 8.150 nan 0.000 0.443 325 R N 0.153 120.527 120.500 -0.209 0.000 2.075 325 R HA 0.025 4.364 4.340 -0.000 0.000 0.232 325 R C 2.124 178.211 176.300 -0.355 0.000 1.126 325 R CA 1.854 57.755 56.100 -0.332 0.000 0.963 325 R CB -0.901 29.131 30.300 -0.448 0.000 0.858 325 R HN 0.384 nan 8.270 nan 0.000 0.435 326 A N 0.565 123.260 122.820 -0.209 0.000 1.933 326 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 326 A C 1.963 179.442 177.584 -0.175 0.000 1.175 326 A CA 1.590 53.513 52.037 -0.190 0.000 0.628 326 A CB -0.372 18.568 19.000 -0.100 0.000 0.814 326 A HN 0.361 nan 8.150 nan 0.000 0.444 327 K N 0.191 120.511 120.400 -0.134 0.000 2.217 327 K HA -0.071 4.249 4.320 -0.000 0.000 0.202 327 K C 2.022 178.559 176.600 -0.106 0.000 1.051 327 K CA 1.365 57.590 56.287 -0.104 0.000 0.952 327 K CB -0.078 32.372 32.500 -0.084 0.000 0.736 327 K HN 0.651 nan 8.250 nan 0.000 0.453 328 S N 0.436 116.056 115.700 -0.133 0.000 2.548 328 S HA 0.014 4.484 4.470 -0.000 0.000 0.215 328 S C 0.794 175.322 174.600 -0.120 0.000 0.976 328 S CA -0.312 57.817 58.200 -0.119 0.000 0.908 328 S CB -0.018 63.105 63.200 -0.127 0.000 0.781 328 S HN 0.119 nan 8.310 nan 0.000 0.519 329 R N 2.181 122.595 120.500 -0.143 0.000 2.399 329 R HA 0.222 4.562 4.340 -0.000 0.000 0.324 329 R C -0.921 175.341 176.300 -0.064 0.000 1.030 329 R CA -0.157 55.878 56.100 -0.109 0.000 0.984 329 R CB 0.090 30.309 30.300 -0.136 0.000 0.961 329 R HN 0.175 nan 8.270 nan 0.000 0.433 330 V N 6.269 126.160 119.914 -0.038 0.000 2.450 330 V HA 0.038 4.158 4.120 -0.000 0.000 0.281 330 V C 0.212 176.305 176.094 -0.002 0.000 1.019 330 V CA 0.004 62.290 62.300 -0.024 0.000 1.062 330 V CB 1.042 32.855 31.823 -0.016 0.000 0.979 330 V HN 0.442 nan 8.190 nan 0.000 0.477 331 V N 5.012 124.921 119.914 -0.009 0.000 2.459 331 V HA 0.993 5.113 4.120 -0.000 0.000 0.295 331 V C 0.602 176.660 176.094 -0.061 0.000 1.029 331 V CA 0.466 62.781 62.300 0.025 0.000 0.874 331 V CB 1.097 32.954 31.823 0.057 0.000 0.985 331 V HN 1.124 nan 8.190 nan 0.000 0.438 332 G N 3.294 112.072 108.800 -0.036 0.000 2.348 332 G HA2 0.189 4.149 3.960 -0.000 0.000 0.296 332 G HA3 0.189 4.149 3.960 -0.000 0.000 0.296 332 G C -1.052 173.847 174.900 -0.002 0.000 1.258 332 G CA -0.868 44.128 45.100 -0.174 0.000 0.868 332 G HN 0.579 nan 8.290 nan 0.000 0.488 333 N N 1.688 120.376 118.700 -0.020 0.000 2.365 333 N HA 0.137 4.877 4.740 -0.000 0.000 0.265 333 N C -0.776 174.794 175.510 0.101 0.000 1.288 333 N CA -1.153 51.955 53.050 0.097 0.000 0.869 333 N CB 1.468 40.003 38.487 0.079 0.000 1.071 333 N HN 0.092 nan 8.380 nan 0.000 0.480 334 P HA -0.122 nan 4.420 nan 0.000 0.219 334 P C 0.887 178.112 177.300 -0.126 0.000 1.146 334 P CA 1.287 64.338 63.100 -0.081 0.000 0.808 334 P CB -0.060 31.503 31.700 -0.229 0.000 0.779 335 F N -0.094 119.888 119.950 0.053 0.000 2.748 335 F HA 0.027 4.554 4.527 -0.000 0.000 0.299 335 F C 1.040 176.853 175.800 0.022 0.000 1.154 335 F CA 0.004 58.015 58.000 0.018 0.000 1.446 335 F CB -0.385 38.577 39.000 -0.064 0.000 1.112 335 F HN -0.091 nan 8.300 nan 0.000 0.584 336 D N -0.346 120.154 120.400 0.167 0.000 2.277 336 D HA 0.044 4.683 4.640 -0.000 0.000 0.249 336 D C 1.243 177.603 176.300 0.101 0.000 1.134 336 D CA 0.098 54.161 54.000 0.106 0.000 0.863 336 D CB 1.097 41.934 40.800 0.062 0.000 1.143 336 D HN 0.040 nan 8.370 nan 0.000 0.458 337 S N 3.381 119.141 115.700 0.099 0.000 2.465 337 S HA -0.186 4.284 4.470 -0.000 0.000 0.241 337 S C 1.351 175.990 174.600 0.065 0.000 1.000 337 S CA 0.752 59.009 58.200 0.095 0.000 0.964 337 S CB -0.140 63.111 63.200 0.085 0.000 0.763 337 S HN 0.531 nan 8.310 nan 0.000 0.512 338 K N 0.799 121.228 120.400 0.048 0.000 2.400 338 K HA 0.111 4.431 4.320 -0.000 0.000 0.194 338 K C 0.017 176.635 176.600 0.031 0.000 1.033 338 K CA 0.316 56.622 56.287 0.032 0.000 1.021 338 K CB -0.019 32.490 32.500 0.016 0.000 0.808 338 K HN 0.285 nan 8.250 nan 0.000 0.505 339 T N 1.979 116.557 114.554 0.040 0.000 2.817 339 T HA 0.037 4.387 4.350 -0.000 0.000 0.295 339 T C 0.805 175.534 174.700 0.049 0.000 0.958 339 T CA 0.292 62.416 62.100 0.040 0.000 1.157 339 T CB 1.034 69.931 68.868 0.049 0.000 0.898 339 T HN 0.179 nan 8.240 nan 0.000 0.536 340 E N 1.822 122.050 120.200 0.048 0.000 2.307 340 E HA 0.047 4.397 4.350 -0.000 0.000 0.195 340 E C 0.801 177.438 176.600 0.061 0.000 0.975 340 E CA 0.228 56.667 56.400 0.066 0.000 0.878 340 E CB 0.566 30.305 29.700 0.065 0.000 0.845 340 E HN 0.557 nan 8.360 nan 0.000 0.488 341 Q N 0.197 120.032 119.800 0.059 0.000 2.304 341 Q HA 0.438 4.778 4.340 -0.000 0.000 0.270 341 Q C -0.683 175.386 176.000 0.116 0.000 1.035 341 Q CA -0.612 55.228 55.803 0.061 0.000 0.781 341 Q CB 1.864 30.646 28.738 0.074 0.000 1.261 341 Q HN 0.126 nan 8.270 nan 0.000 0.444 342 G N 2.954 111.785 108.800 0.051 0.000 2.606 342 G HA2 0.620 4.579 3.960 -0.000 0.000 0.262 342 G HA3 0.620 4.579 3.960 -0.000 0.000 0.262 342 G C -2.531 172.284 174.900 -0.141 0.000 1.394 342 G CA -1.041 44.096 45.100 0.062 0.000 1.044 342 G HN 0.558 nan 8.290 nan 0.000 0.553 343 P HA 0.201 nan 4.420 nan 0.000 0.279 343 P C -0.883 176.217 177.300 -0.333 0.000 1.282 343 P CA -0.342 62.222 63.100 -0.894 0.000 0.788 343 P CB 0.850 31.780 31.700 -1.283 0.000 1.139 344 Q N -0.377 119.320 119.800 -0.172 0.000 2.260 344 Q HA 0.100 4.440 4.340 -0.000 0.000 0.238 344 Q C 1.355 177.264 176.000 -0.152 0.000 0.948 344 Q CA -0.555 55.203 55.803 -0.075 0.000 0.895 344 Q CB 0.723 29.498 28.738 0.063 0.000 1.218 344 Q HN 0.185 nan 8.270 nan 0.000 0.470 345 V N 1.029 120.779 119.914 -0.273 0.000 2.278 345 V HA -0.264 3.856 4.120 -0.000 0.000 0.251 345 V C 0.429 176.297 176.094 -0.377 0.000 1.062 345 V CA 2.884 64.929 62.300 -0.424 0.000 1.038 345 V CB -0.057 31.163 31.823 -1.004 0.000 0.646 345 V HN 1.001 nan 8.190 nan 0.000 0.447 346 D N -3.637 116.467 120.400 -0.494 0.000 2.759 346 D HA 0.138 4.778 4.640 -0.000 0.000 0.321 346 D C 0.682 176.351 176.300 -1.051 0.000 1.267 346 D CA -0.096 53.514 54.000 -0.649 0.000 0.933 346 D CB 0.646 41.176 40.800 -0.450 0.000 1.431 346 D HN 0.011 nan 8.370 nan 0.000 0.504 347 E N -0.776 118.725 120.200 -1.164 0.000 2.106 347 E HA -0.131 4.218 4.350 -0.000 0.000 0.192 347 E C 1.204 177.646 176.600 -0.264 0.000 0.984 347 E CA 1.545 57.458 56.400 -0.811 0.000 0.806 347 E CB -0.020 29.430 29.700 -0.417 0.000 0.750 347 E HN 0.521 nan 8.360 nan 0.000 0.458 348 T N 1.108 115.526 114.554 -0.226 0.000 2.746 348 T HA -0.153 4.197 4.350 -0.000 0.000 0.267 348 T C 1.776 176.441 174.700 -0.058 0.000 1.039 348 T CA 1.047 63.084 62.100 -0.105 0.000 1.142 348 T CB -0.093 68.722 68.868 -0.088 0.000 0.866 348 T HN 0.135 nan 8.240 nan 0.000 0.444 349 Q N 0.013 119.755 119.800 -0.097 0.000 2.083 349 Q HA 0.037 4.377 4.340 -0.000 0.000 0.198 349 Q C 2.063 178.107 176.000 0.073 0.000 0.969 349 Q CA 0.938 56.746 55.803 0.009 0.000 0.838 349 Q CB -0.682 28.031 28.738 -0.041 0.000 0.900 349 Q HN 0.534 nan 8.270 nan 0.000 0.436 350 F N 2.186 122.042 119.950 -0.156 0.000 2.065 350 F HA -0.255 4.272 4.527 -0.000 0.000 0.298 350 F C 2.000 177.789 175.800 -0.017 0.000 1.112 350 F CA 1.742 59.695 58.000 -0.079 0.000 1.212 350 F CB -0.051 38.865 39.000 -0.141 0.000 0.975 350 F HN -0.022 nan 8.300 nan 0.000 0.476 351 K N -0.025 120.379 120.400 0.006 0.000 2.097 351 K HA -0.203 4.117 4.320 -0.000 0.000 0.205 351 K C 2.211 178.760 176.600 -0.086 0.000 1.050 351 K CA 1.495 57.729 56.287 -0.088 0.000 0.938 351 K CB -0.303 32.191 32.500 -0.009 0.000 0.718 351 K HN 0.250 nan 8.250 nan 0.000 0.442 352 K N 1.333 121.717 120.400 -0.027 0.000 2.097 352 K HA -0.110 4.210 4.320 -0.000 0.000 0.206 352 K C 1.997 178.635 176.600 0.062 0.000 1.049 352 K CA 1.096 57.374 56.287 -0.014 0.000 0.933 352 K CB -0.006 32.538 32.500 0.072 0.000 0.717 352 K HN 0.059 nan 8.250 nan 0.000 0.442 353 I N 0.944 121.580 120.570 0.110 0.000 2.202 353 I HA -0.279 3.891 4.170 -0.000 0.000 0.242 353 I C 2.136 178.302 176.117 0.082 0.000 1.091 353 I CA 0.953 62.355 61.300 0.170 0.000 1.368 353 I CB -0.184 37.883 38.000 0.111 0.000 1.058 353 I HN 0.149 nan 8.210 nan 0.000 0.410 354 L N 0.521 121.698 121.223 -0.078 0.000 2.079 354 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 354 L C 2.673 179.522 176.870 -0.036 0.000 1.081 354 L CA 1.584 56.361 54.840 -0.104 0.000 0.752 354 L CB -1.118 40.791 42.059 -0.251 0.000 0.896 354 L HN 0.334 nan 8.230 nan 0.000 0.433 355 G N -1.236 107.520 108.800 -0.074 0.000 2.422 355 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.218 355 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.218 355 G C 1.400 176.249 174.900 -0.085 0.000 1.146 355 G CA 0.543 45.576 45.100 -0.112 0.000 0.769 355 G HN 0.321 nan 8.290 nan 0.000 0.547 356 Y N 0.327 120.632 120.300 0.009 0.000 2.242 356 Y HA 0.039 4.589 4.550 -0.000 0.000 0.291 356 Y C 2.736 178.661 175.900 0.041 0.000 1.137 356 Y CA 0.472 58.581 58.100 0.015 0.000 1.181 356 Y CB 0.023 38.499 38.460 0.028 0.000 0.989 356 Y HN 0.123 nan 8.280 nan 0.000 0.527 357 I N 0.013 120.738 120.570 0.258 0.000 2.315 357 I HA -0.325 3.845 4.170 -0.000 0.000 0.248 357 I C 2.441 178.718 176.117 0.267 0.000 1.117 357 I CA 1.293 62.794 61.300 0.335 0.000 1.404 357 I CB -0.429 37.712 38.000 0.235 0.000 1.071 357 I HN 0.370 nan 8.210 nan 0.000 0.419 358 N N 0.615 119.394 118.700 0.133 0.000 2.188 358 N HA -0.162 4.578 4.740 -0.000 0.000 0.184 358 N C 1.703 177.249 175.510 0.061 0.000 1.018 358 N CA 1.864 54.965 53.050 0.084 0.000 0.858 358 N CB 0.093 38.597 38.487 0.028 0.000 0.989 358 N HN 0.250 nan 8.380 nan 0.000 0.426 359 T N -0.282 114.294 114.554 0.038 0.000 2.746 359 T HA -0.047 4.303 4.350 -0.000 0.000 0.267 359 T C 1.790 176.465 174.700 -0.043 0.000 1.039 359 T CA 1.311 63.415 62.100 0.007 0.000 1.142 359 T CB -0.694 68.191 68.868 0.028 0.000 0.866 359 T HN 0.442 nan 8.240 nan 0.000 0.444 360 G N 1.544 110.272 108.800 -0.119 0.000 2.422 360 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.218 360 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.218 360 G C 1.607 176.378 174.900 -0.215 0.000 1.146 360 G CA 0.632 45.447 45.100 -0.474 0.000 0.769 360 G HN 0.438 nan 8.290 nan 0.000 0.547 361 K N -0.099 120.357 120.400 0.093 0.000 2.103 361 K HA -0.003 4.317 4.320 -0.000 0.000 0.204 361 K C 2.677 179.324 176.600 0.078 0.000 1.052 361 K CA 0.989 57.385 56.287 0.181 0.000 0.945 361 K CB -0.108 32.509 32.500 0.196 0.000 0.722 361 K HN 0.318 nan 8.250 nan 0.000 0.443 362 Q N 0.706 120.529 119.800 0.038 0.000 2.172 362 Q HA -0.120 4.220 4.340 -0.000 0.000 0.200 362 Q C 1.343 177.347 176.000 0.006 0.000 0.964 362 Q CA 1.100 56.916 55.803 0.021 0.000 0.855 362 Q CB 0.175 28.920 28.738 0.011 0.000 0.918 362 Q HN 0.357 nan 8.270 nan 0.000 0.444 363 E N -0.835 119.355 120.200 -0.017 0.000 2.511 363 E HA -0.000 4.350 4.350 -0.000 0.000 0.196 363 E C 0.760 177.351 176.600 -0.015 0.000 1.066 363 E CA 0.378 56.763 56.400 -0.025 0.000 0.871 363 E CB 0.345 30.014 29.700 -0.051 0.000 0.863 363 E HN 0.509 nan 8.360 nan 0.000 0.520 364 G N 0.901 109.703 108.800 0.003 0.000 2.179 364 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.220 364 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.220 364 G C 0.356 175.283 174.900 0.045 0.000 0.990 364 G CA -0.125 44.991 45.100 0.027 0.000 0.646 364 G HN 0.443 nan 8.290 nan 0.000 0.517 365 A N 0.189 123.021 122.820 0.020 0.000 2.462 365 A HA 0.586 4.906 4.320 -0.000 0.000 0.243 365 A C 0.620 178.364 177.584 0.268 0.000 1.076 365 A CA 0.718 52.801 52.037 0.077 0.000 0.773 365 A CB 0.390 19.282 19.000 -0.179 0.000 1.010 365 A HN 0.555 nan 8.150 nan 0.000 0.493 366 K N 2.285 122.854 120.400 0.282 0.000 2.284 366 K HA 0.307 4.627 4.320 -0.000 0.000 0.287 366 K C -0.802 175.939 176.600 0.234 0.000 1.081 366 K CA -0.494 55.932 56.287 0.232 0.000 0.910 366 K CB 0.219 32.816 32.500 0.161 0.000 1.088 366 K HN 0.572 nan 8.250 nan 0.000 0.478 367 L N 6.501 127.802 121.223 0.131 0.000 2.433 367 L HA 0.091 4.431 4.340 -0.000 0.000 0.275 367 L C 0.254 177.069 176.870 -0.091 0.000 1.128 367 L CA 0.550 55.303 54.840 -0.146 0.000 0.875 367 L CB 0.446 42.424 42.059 -0.135 0.000 1.171 367 L HN 0.804 nan 8.230 nan 0.000 0.463 368 L N 4.698 125.847 121.223 -0.123 0.000 2.408 368 L HA 0.221 4.561 4.340 -0.000 0.000 0.215 368 L C 0.382 177.209 176.870 -0.072 0.000 1.081 368 L CA 0.188 54.993 54.840 -0.059 0.000 0.840 368 L CB -0.020 42.024 42.059 -0.025 0.000 1.002 368 L HN 0.817 nan 8.230 nan 0.000 0.468 369 C N -2.975 116.258 119.300 -0.111 0.000 3.303 369 C HA 0.735 5.195 4.460 -0.000 0.000 0.340 369 C C 0.624 175.553 174.990 -0.102 0.000 1.274 369 C CA -0.651 58.316 59.018 -0.085 0.000 1.234 369 C CB 0.801 28.505 27.740 -0.059 0.000 1.532 369 C HN 0.634 nan 8.230 nan 0.000 0.483 370 G N 0.906 109.665 108.800 -0.067 0.000 2.552 370 G HA2 0.369 4.329 3.960 -0.000 0.000 0.265 370 G HA3 0.369 4.329 3.960 -0.000 0.000 0.265 370 G C 1.232 176.089 174.900 -0.071 0.000 1.234 370 G CA 2.199 47.270 45.100 -0.049 0.000 0.944 370 G HN 3.324 nan 8.290 nan 0.000 0.568 371 G N -2.375 106.390 108.800 -0.058 0.000 2.201 371 G HA2 0.463 4.422 3.960 -0.000 0.000 0.212 371 G HA3 0.463 4.422 3.960 -0.000 0.000 0.212 371 G C 1.385 176.281 174.900 -0.006 0.000 0.994 371 G CA 0.955 46.023 45.100 -0.054 0.000 0.644 371 G HN 2.583 nan 8.290 nan 0.000 0.508 372 G N -0.919 107.884 108.800 0.006 0.000 2.921 372 G HA2 0.666 4.625 3.960 -0.000 0.000 0.291 372 G HA3 0.666 4.625 3.960 -0.000 0.000 0.291 372 G C -0.335 174.594 174.900 0.048 0.000 1.370 372 G CA -0.793 44.316 45.100 0.015 0.000 0.847 372 G HN 0.603 nan 8.290 nan 0.000 0.532 373 I N 1.225 121.839 120.570 0.074 0.000 2.648 373 I HA 0.210 4.380 4.170 -0.000 0.000 0.284 373 I C 1.506 177.718 176.117 0.159 0.000 1.153 373 I CA 0.073 61.480 61.300 0.178 0.000 1.426 373 I CB 1.643 39.787 38.000 0.239 0.000 1.381 373 I HN 0.562 nan 8.210 nan 0.000 0.571 374 A N 5.198 128.144 122.820 0.210 0.000 2.169 374 A HA 0.630 4.950 4.320 -0.000 0.000 0.210 374 A C 0.780 178.392 177.584 0.048 0.000 1.168 374 A CA 0.712 52.823 52.037 0.123 0.000 0.813 374 A CB 0.121 19.208 19.000 0.146 0.000 0.861 374 A HN 0.807 nan 8.150 nan 0.000 0.481 375 A N -0.275 122.604 122.820 0.098 0.000 2.604 375 A HA 0.516 4.836 4.320 -0.000 0.000 0.295 375 A C -0.272 177.349 177.584 0.062 0.000 1.067 375 A CA 0.098 52.132 52.037 -0.004 0.000 0.683 375 A CB 0.340 19.217 19.000 -0.205 0.000 1.281 375 A HN 0.189 nan 8.150 nan 0.000 0.407 376 D N -0.067 120.340 120.400 0.012 0.000 2.355 376 D HA 0.098 4.738 4.640 -0.000 0.000 0.218 376 D C 0.648 176.942 176.300 -0.010 0.000 1.004 376 D CA 0.551 54.564 54.000 0.022 0.000 0.880 376 D CB 0.282 41.087 40.800 0.008 0.000 0.911 376 D HN 0.430 nan 8.370 nan 0.000 0.528 377 R N -0.002 120.483 120.500 -0.025 0.000 2.561 377 R HA 0.513 4.853 4.340 -0.000 0.000 0.297 377 R C 0.031 176.316 176.300 -0.026 0.000 0.969 377 R CA 0.056 56.118 56.100 -0.064 0.000 0.879 377 R CB 1.231 31.495 30.300 -0.059 0.000 1.178 377 R HN 0.183 nan 8.270 nan 0.000 0.445 378 G N 2.417 111.040 108.800 -0.294 0.000 2.582 378 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.222 378 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.222 378 G C -1.144 173.207 174.900 -0.915 0.000 1.311 378 G CA -0.376 44.382 45.100 -0.571 0.000 0.915 378 G HN 0.613 nan 8.290 nan 0.000 0.528 379 Y N -0.123 119.815 120.300 -0.604 0.000 2.525 379 Y HA 0.559 5.109 4.550 -0.000 0.000 0.365 379 Y C 0.306 175.977 175.900 -0.382 0.000 0.929 379 Y CA -0.798 56.784 58.100 -0.863 0.000 1.196 379 Y CB 0.293 38.332 38.460 -0.702 0.000 1.232 379 Y HN 0.340 nan 8.280 nan 0.000 0.613 380 F N 1.811 121.795 119.950 0.057 0.000 2.404 380 F HA 0.504 5.031 4.527 -0.000 0.000 0.345 380 F C 0.185 176.176 175.800 0.319 0.000 1.110 380 F CA -0.755 57.342 58.000 0.162 0.000 1.130 380 F CB 0.759 39.791 39.000 0.054 0.000 1.129 380 F HN 0.042 nan 8.300 nan 0.000 0.500 381 I N 2.726 123.534 120.570 0.396 0.000 2.545 381 I HA 0.240 4.410 4.170 -0.000 0.000 0.292 381 I C -0.578 175.655 176.117 0.194 0.000 1.040 381 I CA -1.010 60.453 61.300 0.271 0.000 1.068 381 I CB 1.979 40.093 38.000 0.191 0.000 1.251 381 I HN 0.529 nan 8.210 nan 0.000 0.424 382 Q N 6.055 125.937 119.800 0.137 0.000 2.364 382 Q HA 0.162 4.502 4.340 -0.000 0.000 0.267 382 Q C -2.309 173.750 176.000 0.100 0.000 0.999 382 Q CA -1.522 54.335 55.803 0.090 0.000 0.886 382 Q CB -0.000 28.766 28.738 0.047 0.000 1.243 382 Q HN 0.257 nan 8.270 nan 0.000 0.415 383 P HA -0.038 nan 4.420 nan 0.000 0.261 383 P C -1.109 176.281 177.300 0.150 0.000 1.203 383 P CA 0.505 63.690 63.100 0.142 0.000 0.767 383 P CB 0.512 32.091 31.700 -0.201 0.000 0.785 384 T N 3.196 117.892 114.554 0.236 0.000 2.797 384 T HA 0.447 4.797 4.350 -0.000 0.000 0.279 384 T C -0.230 174.507 174.700 0.061 0.000 0.991 384 T CA -0.430 61.700 62.100 0.050 0.000 0.979 384 T CB 0.949 69.793 68.868 -0.040 0.000 0.943 384 T HN -0.057 nan 8.240 nan 0.000 0.444 385 V N 3.957 123.831 119.914 -0.068 0.000 2.483 385 V HA 0.506 4.626 4.120 -0.000 0.000 0.297 385 V C -0.958 175.049 176.094 -0.145 0.000 1.027 385 V CA -0.899 61.394 62.300 -0.012 0.000 0.855 385 V CB 1.230 33.095 31.823 0.070 0.000 0.995 385 V HN 0.830 nan 8.190 nan 0.000 0.424 386 F N 2.487 122.464 119.950 0.046 0.000 2.436 386 F HA 0.755 5.282 4.527 -0.000 0.000 0.340 386 F C 0.937 176.771 175.800 0.056 0.000 1.113 386 F CA -0.231 57.795 58.000 0.043 0.000 1.022 386 F CB 2.002 41.017 39.000 0.026 0.000 1.128 386 F HN 0.592 nan 8.300 nan 0.000 0.466 387 G N 0.844 109.808 108.800 0.273 0.000 2.471 387 G HA2 0.359 4.319 3.960 -0.000 0.000 0.332 387 G HA3 0.359 4.319 3.960 -0.000 0.000 0.332 387 G C -0.633 174.417 174.900 0.249 0.000 1.176 387 G CA -0.648 44.600 45.100 0.247 0.000 0.949 387 G HN 0.719 nan 8.290 nan 0.000 0.488 388 D N -1.011 119.562 120.400 0.289 0.000 2.708 388 D HA -0.164 4.476 4.640 -0.000 0.000 0.236 388 D C 0.496 176.853 176.300 0.094 0.000 1.146 388 D CA 0.627 54.720 54.000 0.155 0.000 0.662 388 D CB -1.120 39.748 40.800 0.113 0.000 1.059 388 D HN 0.191 nan 8.370 nan 0.000 0.428 389 V N 0.946 120.911 119.914 0.086 0.000 2.614 389 V HA 0.060 4.180 4.120 -0.000 0.000 0.291 389 V C 0.830 176.924 176.094 -0.000 0.000 1.049 389 V CA 0.041 62.350 62.300 0.016 0.000 1.038 389 V CB 1.750 33.560 31.823 -0.021 0.000 0.980 389 V HN 0.055 nan 8.190 nan 0.000 0.481 390 Q N 2.145 121.941 119.800 -0.007 0.000 2.266 390 Q HA 0.319 4.659 4.340 -0.000 0.000 0.261 390 Q C 0.494 176.501 176.000 0.012 0.000 0.985 390 Q CA -0.727 55.084 55.803 0.013 0.000 0.873 390 Q CB 1.550 30.298 28.738 0.015 0.000 1.306 390 Q HN 0.664 nan 8.270 nan 0.000 0.447 391 D N 1.618 122.047 120.400 0.048 0.000 2.203 391 D HA -0.156 4.484 4.640 -0.000 0.000 0.199 391 D C 1.474 177.798 176.300 0.040 0.000 0.997 391 D CA 1.772 55.810 54.000 0.065 0.000 0.863 391 D CB -0.033 40.832 40.800 0.108 0.000 0.928 391 D HN 0.836 nan 8.370 nan 0.000 0.458 392 G N -0.161 108.656 108.800 0.029 0.000 2.650 392 G HA2 -0.042 3.917 3.960 -0.000 0.000 0.214 392 G HA3 -0.042 3.917 3.960 -0.000 0.000 0.214 392 G C 0.798 175.703 174.900 0.008 0.000 1.136 392 G CA -0.159 44.953 45.100 0.020 0.000 0.789 392 G HN 0.177 nan 8.290 nan 0.000 0.536 393 M N 0.710 120.305 119.600 -0.007 0.000 2.248 393 M HA 0.124 4.604 4.480 -0.000 0.000 0.337 393 M C 1.847 178.135 176.300 -0.020 0.000 1.121 393 M CA -0.074 55.209 55.300 -0.028 0.000 1.155 393 M CB 0.890 33.450 32.600 -0.067 0.000 1.514 393 M HN -0.071 nan 8.290 nan 0.000 0.452 394 T N 2.631 117.180 114.554 -0.008 0.000 2.684 394 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 394 T C 1.506 176.209 174.700 0.005 0.000 1.036 394 T CA 1.783 63.904 62.100 0.036 0.000 1.148 394 T CB -0.444 68.476 68.868 0.087 0.000 0.863 394 T HN 0.775 nan 8.240 nan 0.000 0.436 395 I N -0.408 120.125 120.570 -0.061 0.000 3.241 395 I HA 0.158 4.328 4.170 -0.000 0.000 0.280 395 I C 2.073 178.111 176.117 -0.132 0.000 1.320 395 I CA 0.815 62.029 61.300 -0.143 0.000 1.413 395 I CB -0.379 37.470 38.000 -0.250 0.000 1.060 395 I HN 0.092 nan 8.210 nan 0.000 0.500 396 A N 1.011 123.781 122.820 -0.083 0.000 2.288 396 A HA 0.233 4.553 4.320 -0.000 0.000 0.216 396 A C 2.101 179.683 177.584 -0.003 0.000 1.199 396 A CA -0.002 51.999 52.037 -0.059 0.000 0.891 396 A CB 0.057 19.025 19.000 -0.053 0.000 0.923 396 A HN 0.410 nan 8.150 nan 0.000 0.500 397 K N -0.188 120.222 120.400 0.017 0.000 2.399 397 K HA 0.177 4.497 4.320 -0.000 0.000 0.196 397 K C -0.242 176.432 176.600 0.122 0.000 1.117 397 K CA 0.237 56.569 56.287 0.076 0.000 0.965 397 K CB 0.680 33.220 32.500 0.066 0.000 0.983 397 K HN 0.401 nan 8.250 nan 0.000 0.531 398 E N 1.901 122.131 120.200 0.051 0.000 2.204 398 E HA 0.094 4.444 4.350 -0.000 0.000 0.276 398 E C -1.049 175.470 176.600 -0.135 0.000 0.974 398 E CA -0.400 56.028 56.400 0.046 0.000 0.815 398 E CB 1.805 31.570 29.700 0.109 0.000 1.119 398 E HN 0.064 nan 8.360 nan 0.000 0.393 399 E N 3.347 123.505 120.200 -0.071 0.000 2.238 399 E HA -0.022 4.328 4.350 -0.000 0.000 0.264 399 E C 0.330 176.806 176.600 -0.205 0.000 1.136 399 E CA 0.011 56.330 56.400 -0.134 0.000 0.929 399 E CB 0.289 29.912 29.700 -0.128 0.000 1.010 399 E HN 0.537 nan 8.360 nan 0.000 0.440 400 I N 4.484 124.881 120.570 -0.288 0.000 2.406 400 I HA -0.108 4.062 4.170 -0.000 0.000 0.249 400 I C 0.621 176.806 176.117 0.113 0.000 1.122 400 I CA 0.176 61.273 61.300 -0.339 0.000 1.431 400 I CB 0.008 37.812 38.000 -0.328 0.000 1.087 400 I HN 0.687 nan 8.210 nan 0.000 0.424 401 F N 1.405 121.304 119.950 -0.084 0.000 3.080 401 F HA -0.182 4.345 4.527 -0.000 0.000 0.292 401 F C 0.430 176.249 175.800 0.031 0.000 0.891 401 F CA 0.620 58.619 58.000 -0.002 0.000 1.086 401 F CB -1.374 37.673 39.000 0.078 0.000 1.095 401 F HN 0.149 nan 8.300 nan 0.000 0.633 402 G N -0.661 108.138 108.800 -0.002 0.000 2.727 402 G HA2 0.633 4.593 3.960 -0.000 0.000 0.289 402 G HA3 0.633 4.593 3.960 -0.000 0.000 0.289 402 G C -2.972 171.874 174.900 -0.091 0.000 1.418 402 G CA -0.708 44.384 45.100 -0.013 0.000 0.818 402 G HN -0.137 nan 8.290 nan 0.000 0.486 403 P HA 0.250 nan 4.420 nan 0.000 0.231 403 P C -0.628 176.669 177.300 -0.006 0.000 1.756 403 P CA 0.019 63.127 63.100 0.012 0.000 0.990 403 P CB 0.125 31.998 31.700 0.288 0.000 1.973 404 V N 3.358 123.164 119.914 -0.180 0.000 2.447 404 V HA 0.344 4.464 4.120 -0.000 0.000 0.292 404 V C 0.220 176.214 176.094 -0.166 0.000 1.021 404 V CA -0.644 61.624 62.300 -0.052 0.000 0.850 404 V CB 1.999 33.873 31.823 0.085 0.000 1.005 404 V HN 0.314 nan 8.190 nan 0.000 0.426 405 M N 4.046 123.562 119.600 -0.140 0.000 2.264 405 M HA 0.621 5.101 4.480 -0.000 0.000 0.352 405 M C -0.900 175.430 176.300 0.051 0.000 1.173 405 M CA -0.327 54.890 55.300 -0.139 0.000 1.075 405 M CB 1.562 34.084 32.600 -0.130 0.000 1.621 405 M HN 0.624 nan 8.290 nan 0.000 0.457 406 Q N 5.042 124.841 119.800 -0.003 0.000 2.333 406 Q HA 0.584 4.924 4.340 -0.000 0.000 0.265 406 Q C -1.304 174.690 176.000 -0.011 0.000 0.989 406 Q CA 0.011 55.828 55.803 0.024 0.000 0.842 406 Q CB 1.834 30.537 28.738 -0.059 0.000 1.262 406 Q HN 0.705 nan 8.270 nan 0.000 0.451 407 I N 4.042 124.646 120.570 0.057 0.000 2.362 407 I HA 0.409 4.579 4.170 -0.000 0.000 0.289 407 I C -0.968 175.219 176.117 0.116 0.000 0.994 407 I CA -0.918 60.423 61.300 0.068 0.000 1.158 407 I CB 0.895 38.960 38.000 0.109 0.000 1.315 407 I HN 0.329 nan 8.210 nan 0.000 0.451 408 L N 6.438 127.675 121.223 0.023 0.000 2.333 408 L HA 0.548 4.887 4.340 -0.000 0.000 0.269 408 L C -0.136 176.889 176.870 0.260 0.000 1.010 408 L CA -0.538 54.331 54.840 0.048 0.000 0.818 408 L CB 1.423 43.322 42.059 -0.267 0.000 1.306 408 L HN 0.452 nan 8.230 nan 0.000 0.430 409 K N 1.762 122.274 120.400 0.187 0.000 2.138 409 K HA 0.722 5.042 4.320 -0.000 0.000 0.263 409 K C -1.455 175.309 176.600 0.273 0.000 0.965 409 K CA -0.468 55.888 56.287 0.116 0.000 0.868 409 K CB 1.328 33.597 32.500 -0.386 0.000 1.083 409 K HN 0.552 nan 8.250 nan 0.000 0.443 410 F N 0.953 120.971 119.950 0.114 0.000 2.643 410 F HA 0.445 4.972 4.527 -0.000 0.000 0.314 410 F C 0.129 175.958 175.800 0.049 0.000 1.096 410 F CA -0.919 57.139 58.000 0.097 0.000 0.953 410 F CB 1.613 40.693 39.000 0.132 0.000 1.345 410 F HN 0.543 nan 8.300 nan 0.000 0.468 411 K N 0.102 120.557 120.400 0.090 0.000 2.266 411 K HA 0.226 4.545 4.320 -0.000 0.000 0.209 411 K C 0.235 176.880 176.600 0.075 0.000 1.065 411 K CA 0.999 57.264 56.287 -0.037 0.000 0.946 411 K CB 0.221 32.727 32.500 0.010 0.000 1.069 411 K HN 0.898 nan 8.250 nan 0.000 0.472 412 T N -1.807 112.885 114.554 0.230 0.000 2.945 412 T HA 0.263 4.613 4.350 -0.000 0.000 0.286 412 T C 1.166 176.037 174.700 0.285 0.000 1.025 412 T CA -0.824 61.397 62.100 0.202 0.000 1.039 412 T CB 1.466 70.391 68.868 0.096 0.000 1.068 412 T HN 0.208 nan 8.240 nan 0.000 0.497 413 I N 0.333 121.007 120.570 0.174 0.000 2.394 413 I HA -0.083 4.087 4.170 -0.000 0.000 0.251 413 I C 2.081 178.247 176.117 0.081 0.000 1.136 413 I CA 1.379 62.747 61.300 0.114 0.000 1.425 413 I CB -0.016 38.000 38.000 0.026 0.000 1.079 413 I HN 0.756 nan 8.210 nan 0.000 0.425 414 E N 0.596 120.838 120.200 0.069 0.000 2.106 414 E HA -0.262 4.088 4.350 -0.000 0.000 0.192 414 E C 1.952 178.567 176.600 0.026 0.000 0.984 414 E CA 1.208 57.659 56.400 0.085 0.000 0.806 414 E CB -0.200 29.537 29.700 0.062 0.000 0.750 414 E HN 0.506 nan 8.360 nan 0.000 0.458 415 E N 0.568 120.783 120.200 0.026 0.000 2.031 415 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 415 E C 2.121 178.647 176.600 -0.124 0.000 0.994 415 E CA 1.253 57.654 56.400 0.001 0.000 0.800 415 E CB -0.087 29.663 29.700 0.084 0.000 0.752 415 E HN 0.163 nan 8.360 nan 0.000 0.447 416 V N 0.502 120.260 119.914 -0.259 0.000 2.392 416 V HA -0.209 3.911 4.120 -0.000 0.000 0.249 416 V C 2.367 178.145 176.094 -0.527 0.000 1.059 416 V CA 1.502 63.404 62.300 -0.665 0.000 1.051 416 V CB -0.040 31.016 31.823 -1.278 0.000 0.658 416 V HN 0.230 nan 8.190 nan 0.000 0.455 417 V N 0.590 120.335 119.914 -0.280 0.000 2.295 417 V HA -0.181 3.939 4.120 -0.000 0.000 0.246 417 V C 2.657 178.639 176.094 -0.187 0.000 1.049 417 V CA 2.292 64.469 62.300 -0.205 0.000 1.024 417 V CB -1.352 30.414 31.823 -0.095 0.000 0.648 417 V HN 0.639 nan 8.190 nan 0.000 0.447 418 G N -0.598 108.120 108.800 -0.137 0.000 2.422 418 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.218 418 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.218 418 G C 1.746 176.583 174.900 -0.105 0.000 1.146 418 G CA 0.608 45.651 45.100 -0.095 0.000 0.769 418 G HN 0.447 nan 8.290 nan 0.000 0.547 419 R N 0.339 120.738 120.500 -0.169 0.000 2.090 419 R HA 0.153 4.493 4.340 -0.000 0.000 0.228 419 R C 2.984 179.199 176.300 -0.141 0.000 1.110 419 R CA 0.939 56.961 56.100 -0.130 0.000 0.973 419 R CB -0.249 29.963 30.300 -0.147 0.000 0.869 419 R HN 0.340 nan 8.270 nan 0.000 0.440 420 A N 1.542 124.154 122.820 -0.347 0.000 1.898 420 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 420 A C 1.606 179.153 177.584 -0.061 0.000 1.181 420 A CA 1.295 53.207 52.037 -0.208 0.000 0.620 420 A CB -0.271 18.541 19.000 -0.312 0.000 0.819 420 A HN 0.207 nan 8.150 nan 0.000 0.442 421 N N 0.372 119.016 118.700 -0.093 0.000 2.494 421 N HA -0.060 4.680 4.740 -0.000 0.000 0.182 421 N C 0.298 175.798 175.510 -0.016 0.000 1.076 421 N CA 0.355 53.371 53.050 -0.057 0.000 0.908 421 N CB -0.468 37.972 38.487 -0.078 0.000 0.967 421 N HN 0.398 nan 8.380 nan 0.000 0.449 422 N N 1.050 119.748 118.700 -0.004 0.000 2.819 422 N HA 0.043 4.783 4.740 -0.000 0.000 0.284 422 N C -1.267 174.269 175.510 0.045 0.000 1.196 422 N CA 0.120 53.180 53.050 0.017 0.000 1.114 422 N CB -0.221 38.279 38.487 0.022 0.000 1.437 422 N HN -0.078 nan 8.380 nan 0.000 0.518 423 S N -0.071 115.651 115.700 0.037 0.000 2.567 423 S HA 0.256 4.726 4.470 -0.000 0.000 0.270 423 S C 0.854 175.459 174.600 0.009 0.000 1.152 423 S CA -0.332 57.901 58.200 0.054 0.000 0.835 423 S CB 0.275 63.549 63.200 0.124 0.000 1.115 423 S HN 0.425 nan 8.310 nan 0.000 0.459 424 T N 0.332 114.845 114.554 -0.068 0.000 3.081 424 T HA 0.276 4.625 4.350 -0.000 0.000 0.255 424 T C 0.516 175.111 174.700 -0.174 0.000 1.113 424 T CA 0.496 62.497 62.100 -0.166 0.000 1.082 424 T CB -0.460 68.233 68.868 -0.293 0.000 0.939 424 T HN 0.526 nan 8.240 nan 0.000 0.506 425 Y N 0.491 120.810 120.300 0.030 0.000 2.374 425 Y HA 0.581 5.131 4.550 -0.000 0.000 0.322 425 Y C 1.323 177.237 175.900 0.023 0.000 1.275 425 Y CA -0.653 57.468 58.100 0.034 0.000 1.307 425 Y CB 1.641 40.127 38.460 0.043 0.000 1.282 425 Y HN 0.127 nan 8.280 nan 0.000 0.509 426 G N 0.927 109.854 108.800 0.211 0.000 5.515 426 G HA2 0.060 4.020 3.960 -0.000 0.000 0.198 426 G HA3 0.060 4.020 3.960 -0.000 0.000 0.198 426 G C -0.136 174.762 174.900 -0.003 0.000 0.858 426 G CA -0.290 44.849 45.100 0.064 0.000 0.634 426 G HN 0.533 nan 8.290 nan 0.000 0.290 427 L N 0.642 121.870 121.223 0.008 0.000 2.044 427 L HA 0.726 5.066 4.340 -0.000 0.000 0.205 427 L C 1.155 177.894 176.870 -0.217 0.000 1.075 427 L CA 2.403 57.187 54.840 -0.092 0.000 0.747 427 L CB -0.114 41.941 42.059 -0.007 0.000 0.903 427 L HN 0.509 nan 8.230 nan 0.000 0.435 428 A N -2.199 120.546 122.820 -0.126 0.000 2.568 428 A HA 0.905 5.225 4.320 -0.000 0.000 0.291 428 A C -1.445 176.084 177.584 -0.092 0.000 1.159 428 A CA -0.110 51.791 52.037 -0.226 0.000 0.679 428 A CB 0.876 19.767 19.000 -0.182 0.000 1.285 428 A HN 0.582 nan 8.150 nan 0.000 0.428 429 A N -1.387 121.357 122.820 -0.128 0.000 2.597 429 A HA 0.953 5.273 4.320 -0.000 0.000 0.292 429 A C -0.729 176.929 177.584 0.125 0.000 1.057 429 A CA 0.152 52.221 52.037 0.054 0.000 0.674 429 A CB 0.477 19.445 19.000 -0.054 0.000 1.278 429 A HN 2.661 nan 8.150 nan 0.000 0.416 430 A N -0.139 122.870 122.820 0.316 0.000 2.539 430 A HA 0.822 5.142 4.320 -0.000 0.000 0.296 430 A C -1.443 176.333 177.584 0.320 0.000 1.073 430 A CA -0.514 51.755 52.037 0.387 0.000 0.700 430 A CB 1.655 21.127 19.000 0.786 0.000 1.296 430 A HN 1.805 nan 8.150 nan 0.000 0.405 431 V N 1.023 121.052 119.914 0.193 0.000 2.577 431 V HA 0.530 4.650 4.120 -0.000 0.000 0.303 431 V C -1.571 174.536 176.094 0.022 0.000 1.042 431 V CA -0.225 62.172 62.300 0.163 0.000 0.872 431 V CB 1.375 33.239 31.823 0.069 0.000 0.998 431 V HN 0.707 nan 8.190 nan 0.000 0.423 432 F N 2.907 122.968 119.950 0.186 0.000 2.382 432 F HA 0.752 5.279 4.527 -0.000 0.000 0.361 432 F C 0.361 176.269 175.800 0.181 0.000 1.109 432 F CA -0.167 57.956 58.000 0.205 0.000 1.031 432 F CB 1.962 41.092 39.000 0.218 0.000 1.234 432 F HN 0.530 nan 8.300 nan 0.000 0.445 433 T N 1.835 116.518 114.554 0.214 0.000 2.830 433 T HA 0.299 4.649 4.350 -0.000 0.000 0.322 433 T C 0.113 174.887 174.700 0.122 0.000 1.501 433 T CA -0.674 61.531 62.100 0.174 0.000 1.036 433 T CB 1.527 70.480 68.868 0.141 0.000 1.379 433 T HN 0.614 nan 8.240 nan 0.000 0.493 434 K N 0.634 121.097 120.400 0.106 0.000 2.353 434 K HA 0.193 4.513 4.320 -0.000 0.000 0.195 434 K C -0.278 176.355 176.600 0.054 0.000 1.031 434 K CA -0.128 56.203 56.287 0.073 0.000 1.079 434 K CB 0.291 32.833 32.500 0.070 0.000 0.857 434 K HN 0.471 nan 8.250 nan 0.000 0.535 435 D N 0.977 121.413 120.400 0.059 0.000 2.312 435 D HA 0.023 4.663 4.640 -0.000 0.000 0.252 435 D C 0.796 177.121 176.300 0.043 0.000 1.150 435 D CA -0.252 53.775 54.000 0.046 0.000 0.870 435 D CB 1.158 41.985 40.800 0.046 0.000 1.153 435 D HN -0.165 nan 8.370 nan 0.000 0.457 436 L N 3.981 125.224 121.223 0.033 0.000 1.994 436 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 436 L C 1.257 178.151 176.870 0.040 0.000 1.071 436 L CA 1.927 56.785 54.840 0.031 0.000 0.745 436 L CB -0.432 41.641 42.059 0.023 0.000 0.892 436 L HN 0.481 nan 8.230 nan 0.000 0.431 437 D N -0.338 120.085 120.400 0.039 0.000 2.144 437 D HA -0.171 4.469 4.640 -0.000 0.000 0.199 437 D C 2.186 178.534 176.300 0.081 0.000 0.984 437 D CA 1.300 55.331 54.000 0.050 0.000 0.834 437 D CB -0.072 40.743 40.800 0.025 0.000 0.955 437 D HN 0.407 nan 8.370 nan 0.000 0.465 438 K N 0.554 120.992 120.400 0.064 0.000 2.057 438 K HA -0.010 4.310 4.320 -0.000 0.000 0.206 438 K C 2.143 178.822 176.600 0.131 0.000 1.050 438 K CA 1.065 57.408 56.287 0.094 0.000 0.935 438 K CB -0.066 32.479 32.500 0.074 0.000 0.715 438 K HN 0.024 nan 8.250 nan 0.000 0.439 439 A N 2.086 124.957 122.820 0.086 0.000 1.877 439 A HA -0.205 4.115 4.320 -0.000 0.000 0.216 439 A C 1.846 179.460 177.584 0.050 0.000 1.186 439 A CA 1.757 53.829 52.037 0.059 0.000 0.620 439 A CB -0.501 18.519 19.000 0.034 0.000 0.822 439 A HN 0.222 nan 8.150 nan 0.000 0.443 440 N N -1.668 117.068 118.700 0.060 0.000 2.188 440 N HA -0.131 4.609 4.740 -0.000 0.000 0.184 440 N C 1.569 177.112 175.510 0.055 0.000 1.018 440 N CA 1.545 54.620 53.050 0.042 0.000 0.858 440 N CB -0.581 37.932 38.487 0.044 0.000 0.989 440 N HN 0.681 nan 8.380 nan 0.000 0.426 441 Y N 1.553 121.843 120.300 -0.017 0.000 2.114 441 Y HA -0.087 4.463 4.550 -0.000 0.000 0.284 441 Y C 2.183 178.061 175.900 -0.037 0.000 1.143 441 Y CA 1.430 59.517 58.100 -0.021 0.000 1.135 441 Y CB -0.431 38.022 38.460 -0.012 0.000 0.980 441 Y HN -0.052 nan 8.280 nan 0.000 0.499 442 L N -0.238 121.020 121.223 0.059 0.000 2.027 442 L HA -0.217 4.123 4.340 -0.000 0.000 0.206 442 L C 2.800 179.592 176.870 -0.132 0.000 1.074 442 L CA 1.643 56.448 54.840 -0.058 0.000 0.745 442 L CB -0.876 41.210 42.059 0.046 0.000 0.898 442 L HN 0.387 nan 8.230 nan 0.000 0.433 443 S N -0.874 114.774 115.700 -0.087 0.000 2.400 443 S HA -0.316 4.153 4.470 -0.000 0.000 0.232 443 S C 1.880 176.391 174.600 -0.148 0.000 1.025 443 S CA 1.597 59.727 58.200 -0.116 0.000 0.993 443 S CB -0.429 62.720 63.200 -0.086 0.000 0.808 443 S HN 0.532 nan 8.310 nan 0.000 0.478 444 Q N 1.095 120.803 119.800 -0.153 0.000 2.096 444 Q HA 0.125 4.465 4.340 -0.000 0.000 0.197 444 Q C 2.256 178.135 176.000 -0.202 0.000 0.964 444 Q CA 1.021 56.729 55.803 -0.157 0.000 0.838 444 Q CB -0.468 28.185 28.738 -0.140 0.000 0.906 444 Q HN 0.687 nan 8.270 nan 0.000 0.444 445 A N 0.784 123.428 122.820 -0.293 0.000 1.968 445 A HA 0.080 4.400 4.320 -0.000 0.000 0.217 445 A C 0.970 178.413 177.584 -0.236 0.000 1.169 445 A CA 0.164 52.017 52.037 -0.306 0.000 0.638 445 A CB -0.400 18.310 19.000 -0.483 0.000 0.812 445 A HN 0.375 nan 8.150 nan 0.000 0.446 446 L N 0.999 122.082 121.223 -0.234 0.000 2.513 446 L HA 0.021 4.361 4.340 -0.000 0.000 0.272 446 L C 0.110 176.799 176.870 -0.301 0.000 1.187 446 L CA -0.066 54.635 54.840 -0.232 0.000 0.895 446 L CB 0.409 42.341 42.059 -0.211 0.000 1.147 446 L HN 0.413 nan 8.230 nan 0.000 0.483 447 Q N 3.865 123.490 119.800 -0.292 0.000 2.835 447 Q HA 0.514 4.854 4.340 -0.000 0.000 0.235 447 Q C -0.380 175.212 176.000 -0.681 0.000 1.313 447 Q CA -0.268 55.285 55.803 -0.417 0.000 1.053 447 Q CB 0.738 29.394 28.738 -0.137 0.000 1.443 447 Q HN 0.687 nan 8.270 nan 0.000 0.576 448 A N -0.256 121.946 122.820 -1.031 0.000 2.572 448 A HA 0.676 4.996 4.320 -0.000 0.000 0.295 448 A C 0.866 177.892 177.584 -0.929 0.000 1.072 448 A CA -0.416 51.117 52.037 -0.840 0.000 0.691 448 A CB 1.148 19.889 19.000 -0.433 0.000 1.291 448 A HN 0.525 nan 8.150 nan 0.000 0.404 449 G N 0.001 108.538 108.800 -0.437 0.000 2.432 449 G HA2 0.253 4.213 3.960 -0.000 0.000 0.219 449 G HA3 0.253 4.213 3.960 -0.000 0.000 0.219 449 G C 0.511 175.191 174.900 -0.368 0.000 1.135 449 G CA 1.737 46.724 45.100 -0.187 0.000 0.767 449 G HN 0.867 nan 8.290 nan 0.000 0.550 450 T N -0.275 113.960 114.554 -0.532 0.000 2.928 450 T HA 0.501 4.851 4.350 -0.000 0.000 0.296 450 T C -1.125 173.099 174.700 -0.793 0.000 1.000 450 T CA -0.411 61.264 62.100 -0.707 0.000 0.989 450 T CB 2.691 70.987 68.868 -0.955 0.000 1.005 450 T HN -0.101 nan 8.240 nan 0.000 0.442 451 V N 4.045 123.571 119.914 -0.647 0.000 2.350 451 V HA 0.406 4.526 4.120 -0.000 0.000 0.285 451 V C -0.628 175.226 176.094 -0.400 0.000 1.014 451 V CA -1.014 61.015 62.300 -0.452 0.000 0.831 451 V CB 1.040 32.698 31.823 -0.276 0.000 1.000 451 V HN 0.768 nan 8.190 nan 0.000 0.433 452 W N 3.634 124.820 121.300 -0.191 0.000 2.376 452 W HA 0.608 5.268 4.660 -0.000 0.000 0.322 452 W C -0.464 175.954 176.519 -0.168 0.000 1.160 452 W CA -0.647 56.585 57.345 -0.188 0.000 1.218 452 W CB 1.799 31.110 29.460 -0.248 0.000 1.205 452 W HN 0.255 nan 8.180 nan 0.000 0.559 453 V N 4.614 124.557 119.914 0.048 0.000 2.378 453 V HA 0.131 4.251 4.120 -0.000 0.000 0.288 453 V C 0.212 176.182 176.094 -0.207 0.000 1.016 453 V CA -0.945 61.297 62.300 -0.097 0.000 0.840 453 V CB 1.128 32.922 31.823 -0.048 0.000 0.994 453 V HN 0.671 nan 8.190 nan 0.000 0.431 454 N N 1.990 120.317 118.700 -0.622 0.000 2.714 454 N HA -0.178 4.562 4.740 -0.000 0.000 0.250 454 N C -0.267 175.174 175.510 -0.116 0.000 1.117 454 N CA 1.307 53.969 53.050 -0.646 0.000 0.719 454 N CB -1.100 37.358 38.487 -0.047 0.000 1.081 454 N HN 1.065 nan 8.380 nan 0.000 0.557 455 C N -4.224 114.937 119.300 -0.232 0.000 3.259 455 C HA 0.802 5.262 4.460 -0.000 0.000 0.344 455 C C -1.072 173.993 174.990 0.126 0.000 1.401 455 C CA -1.361 57.748 59.018 0.153 0.000 1.219 455 C CB 1.781 29.591 27.740 0.116 0.000 1.521 455 C HN 0.264 nan 8.230 nan 0.000 0.455 456 Y N -0.147 119.985 120.300 -0.281 0.000 2.592 456 Y HA 0.468 5.018 4.550 -0.000 0.000 0.334 456 Y C -0.293 174.997 175.900 -1.016 0.000 1.136 456 Y CA 0.377 58.067 58.100 -0.683 0.000 1.042 456 Y CB 1.387 39.770 38.460 -0.128 0.000 1.325 456 Y HN 1.026 nan 8.280 nan 0.000 0.457 457 D N 1.853 121.106 120.400 -1.912 0.000 2.772 457 D HA -0.138 4.502 4.640 -0.000 0.000 0.233 457 D C -0.969 174.951 176.300 -0.633 0.000 1.143 457 D CA 0.936 54.367 54.000 -0.948 0.000 0.700 457 D CB -1.025 39.801 40.800 0.044 0.000 1.076 457 D HN 0.155 nan 8.370 nan 0.000 0.430 458 V N 1.503 120.859 119.914 -0.930 0.000 2.322 458 V HA 0.283 4.402 4.120 -0.000 0.000 0.258 458 V C 0.529 176.581 176.094 -0.069 0.000 1.074 458 V CA -0.226 61.920 62.300 -0.256 0.000 0.909 458 V CB -0.130 31.615 31.823 -0.130 0.000 1.090 458 V HN -0.017 nan 8.190 nan 0.000 0.486 459 F N 2.373 122.385 119.950 0.103 0.000 2.425 459 F HA 0.817 5.344 4.527 -0.000 0.000 0.331 459 F C 0.831 176.643 175.800 0.020 0.000 1.085 459 F CA -0.483 57.567 58.000 0.084 0.000 1.028 459 F CB 2.084 41.113 39.000 0.048 0.000 1.177 459 F HN 0.483 nan 8.300 nan 0.000 0.487 460 G N 0.135 109.016 108.800 0.134 0.000 2.740 460 G HA2 0.502 4.462 3.960 -0.000 0.000 0.296 460 G HA3 0.502 4.462 3.960 -0.000 0.000 0.296 460 G C 0.037 174.843 174.900 -0.156 0.000 1.439 460 G CA -0.352 44.748 45.100 -0.000 0.000 1.066 460 G HN 0.878 nan 8.290 nan 0.000 0.527 461 A N 1.224 123.884 122.820 -0.266 0.000 2.131 461 A HA -0.069 4.251 4.320 -0.000 0.000 0.220 461 A C 2.107 179.042 177.584 -1.083 0.000 1.158 461 A CA 1.919 53.608 52.037 -0.580 0.000 0.665 461 A CB -0.092 18.594 19.000 -0.523 0.000 0.795 461 A HN 0.587 nan 8.150 nan 0.000 0.460 462 Q N -0.075 119.290 119.800 -0.725 0.000 2.212 462 Q HA 0.133 4.473 4.340 -0.000 0.000 0.199 462 Q C 0.552 176.471 176.000 -0.135 0.000 0.950 462 Q CA 0.824 56.345 55.803 -0.470 0.000 0.863 462 Q CB 0.020 28.683 28.738 -0.124 0.000 0.944 462 Q HN 0.474 nan 8.270 nan 0.000 0.465 463 S N 1.800 117.432 115.700 -0.114 0.000 2.508 463 S HA 0.421 4.891 4.470 -0.000 0.000 0.284 463 S C -2.472 172.106 174.600 -0.037 0.000 1.192 463 S CA -1.355 56.827 58.200 -0.030 0.000 1.070 463 S CB 1.156 64.341 63.200 -0.024 0.000 1.004 463 S HN -0.035 nan 8.310 nan 0.000 0.493 464 P HA 0.329 nan 4.420 nan 0.000 0.269 464 P C -1.006 176.288 177.300 -0.011 0.000 1.215 464 P CA -0.215 62.840 63.100 -0.075 0.000 0.780 464 P CB 0.294 31.787 31.700 -0.346 0.000 0.898 465 F N 1.251 121.110 119.950 -0.152 0.000 2.588 465 F HA 0.693 5.220 4.527 -0.000 0.000 0.314 465 F C -0.301 175.477 175.800 -0.036 0.000 1.134 465 F CA 0.182 58.127 58.000 -0.092 0.000 0.961 465 F CB 1.774 40.758 39.000 -0.026 0.000 1.239 465 F HN 0.567 nan 8.300 nan 0.000 0.448 466 G N 2.276 110.725 108.800 -0.585 0.000 2.356 466 G HA2 0.492 4.452 3.960 -0.000 0.000 0.294 466 G HA3 0.492 4.452 3.960 -0.000 0.000 0.294 466 G C -1.620 173.078 174.900 -0.336 0.000 1.423 466 G CA -0.210 44.685 45.100 -0.342 0.000 0.806 466 G HN 1.011 nan 8.290 nan 0.000 0.527 467 G N -1.458 107.255 108.800 -0.145 0.000 2.471 467 G HA2 0.618 4.577 3.960 -0.000 0.000 0.332 467 G HA3 0.618 4.577 3.960 -0.000 0.000 0.332 467 G C -1.389 173.564 174.900 0.088 0.000 1.176 467 G CA -0.547 44.536 45.100 -0.029 0.000 0.949 467 G HN 0.439 nan 8.290 nan 0.000 0.488 468 Y N 0.416 120.658 120.300 -0.096 0.000 2.432 468 Y HA 0.422 4.972 4.550 -0.000 0.000 0.322 468 Y C 1.433 177.311 175.900 -0.035 0.000 1.246 468 Y CA -0.480 57.576 58.100 -0.073 0.000 1.268 468 Y CB 1.467 39.880 38.460 -0.080 0.000 1.276 468 Y HN 0.858 nan 8.280 nan 0.000 0.499 469 K N -0.312 120.145 120.400 0.095 0.000 1.931 469 K HA -0.326 3.994 4.320 -0.000 0.000 0.126 469 K C 0.594 177.209 176.600 0.025 0.000 1.372 469 K CA 1.994 58.307 56.287 0.043 0.000 0.483 469 K CB -1.033 31.500 32.500 0.054 0.000 0.562 469 K HN 0.666 nan 8.250 nan 0.000 0.923 470 M N 0.998 120.604 119.600 0.009 0.000 2.581 470 M HA 0.039 4.519 4.480 -0.000 0.000 0.224 470 M C 0.773 177.139 176.300 0.110 0.000 1.171 470 M CA 0.503 55.804 55.300 0.002 0.000 0.993 470 M CB 0.236 32.772 32.600 -0.106 0.000 1.685 470 M HN 0.295 nan 8.290 nan 0.000 0.479 471 S N 0.464 116.264 115.700 0.167 0.000 2.575 471 S HA 0.363 4.833 4.470 -0.000 0.000 0.215 471 S C 0.815 175.492 174.600 0.128 0.000 0.966 471 S CA 0.380 58.712 58.200 0.220 0.000 0.911 471 S CB 0.247 63.561 63.200 0.190 0.000 0.780 471 S HN 0.778 nan 8.310 nan 0.000 0.514 472 G N 0.796 109.651 108.800 0.092 0.000 2.334 472 G HA2 0.243 4.203 3.960 -0.000 0.000 0.315 472 G HA3 0.243 4.203 3.960 -0.000 0.000 0.315 472 G C -1.060 173.852 174.900 0.020 0.000 1.284 472 G CA -0.407 44.735 45.100 0.069 0.000 0.985 472 G HN 0.742 nan 8.290 nan 0.000 0.504 473 S N -1.090 114.617 115.700 0.011 0.000 2.536 473 S HA 1.002 5.472 4.470 -0.000 0.000 0.271 473 S C 0.370 174.957 174.600 -0.023 0.000 1.134 473 S CA 0.610 58.793 58.200 -0.027 0.000 0.897 473 S CB 1.576 64.758 63.200 -0.030 0.000 1.094 473 S HN 3.086 nan 8.310 nan 0.000 0.473 474 G N 1.939 110.711 108.800 -0.047 0.000 2.756 474 G HA2 0.127 4.087 3.960 -0.000 0.000 0.678 474 G HA3 0.127 4.087 3.960 -0.000 0.000 0.678 474 G C -1.409 173.477 174.900 -0.024 0.000 1.349 474 G CA -0.985 44.096 45.100 -0.032 0.000 0.847 474 G HN 0.848 nan 8.290 nan 0.000 0.548 475 R N 0.281 120.783 120.500 0.002 0.000 2.744 475 R HA 0.611 4.951 4.340 -0.000 0.000 0.279 475 R C -0.241 176.100 176.300 0.069 0.000 0.977 475 R CA -0.715 55.391 56.100 0.009 0.000 0.906 475 R CB 1.886 32.160 30.300 -0.044 0.000 1.197 475 R HN 0.771 nan 8.270 nan 0.000 0.463 476 E N 1.918 122.167 120.200 0.082 0.000 2.263 476 E HA 0.604 4.954 4.350 -0.000 0.000 0.264 476 E C -0.292 176.307 176.600 -0.002 0.000 0.923 476 E CA -0.933 55.511 56.400 0.075 0.000 0.802 476 E CB 1.952 31.713 29.700 0.103 0.000 1.228 476 E HN 0.316 nan 8.360 nan 0.000 0.417 477 L N -0.113 121.125 121.223 0.025 0.000 0.584 477 L HA -0.256 4.084 4.340 -0.000 0.000 0.356 477 L C 0.607 177.562 176.870 0.141 0.000 0.953 477 L CA 0.718 55.563 54.840 0.008 0.000 1.223 477 L CB -1.298 40.574 42.059 -0.312 0.000 0.011 477 L HN 1.024 nan 8.230 nan 0.000 0.091 478 G N 0.322 109.144 108.800 0.036 0.000 2.692 478 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.248 478 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.248 478 G C 0.422 175.534 174.900 0.353 0.000 1.340 478 G CA 0.965 46.206 45.100 0.234 0.000 0.896 478 G HN 1.147 nan 8.290 nan 0.000 0.570 479 E N -1.062 119.309 120.200 0.285 0.000 2.106 479 E HA -0.106 4.244 4.350 -0.000 0.000 0.192 479 E C 2.227 178.677 176.600 -0.250 0.000 0.984 479 E CA 1.734 58.004 56.400 -0.217 0.000 0.806 479 E CB -0.168 29.440 29.700 -0.152 0.000 0.750 479 E HN 0.621 nan 8.360 nan 0.000 0.458 480 Y N -0.025 120.255 120.300 -0.033 0.000 2.241 480 Y HA -0.115 4.435 4.550 -0.000 0.000 0.286 480 Y C 2.400 178.274 175.900 -0.044 0.000 1.166 480 Y CA 1.161 59.246 58.100 -0.026 0.000 1.203 480 Y CB -0.765 37.697 38.460 0.005 0.000 0.977 480 Y HN 0.162 nan 8.280 nan 0.000 0.529 481 G N -0.421 108.479 108.800 0.167 0.000 2.586 481 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.215 481 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.215 481 G C 1.372 176.288 174.900 0.027 0.000 1.128 481 G CA 0.639 45.819 45.100 0.133 0.000 0.774 481 G HN 0.416 nan 8.290 nan 0.000 0.543 482 L N -1.020 120.090 121.223 -0.188 0.000 2.416 482 L HA 0.114 4.454 4.340 -0.000 0.000 0.216 482 L C 2.838 179.556 176.870 -0.254 0.000 1.098 482 L CA 0.132 54.734 54.840 -0.397 0.000 0.840 482 L CB -0.233 41.130 42.059 -1.161 0.000 0.981 482 L HN 0.175 nan 8.230 nan 0.000 0.462 483 Q N 0.700 120.417 119.800 -0.138 0.000 2.077 483 Q HA -0.239 4.101 4.340 -0.000 0.000 0.206 483 Q C 2.349 178.312 176.000 -0.062 0.000 0.989 483 Q CA 2.042 57.836 55.803 -0.014 0.000 0.853 483 Q CB -0.300 28.450 28.738 0.020 0.000 0.907 483 Q HN 0.567 nan 8.270 nan 0.000 0.418 484 A N -0.516 122.227 122.820 -0.129 0.000 2.168 484 A HA -0.105 4.215 4.320 -0.000 0.000 0.215 484 A C 0.835 178.139 177.584 -0.467 0.000 1.152 484 A CA 0.766 52.626 52.037 -0.295 0.000 0.716 484 A CB -0.256 18.513 19.000 -0.385 0.000 0.794 484 A HN 0.421 nan 8.150 nan 0.000 0.465 485 Y N -0.187 120.073 120.300 -0.067 0.000 2.607 485 Y HA 0.218 4.768 4.550 -0.000 0.000 0.266 485 Y C 0.186 176.076 175.900 -0.017 0.000 1.178 485 Y CA 0.029 58.098 58.100 -0.051 0.000 1.226 485 Y CB 0.463 38.878 38.460 -0.075 0.000 1.144 485 Y HN 0.058 nan 8.280 nan 0.000 0.528 486 T N 0.153 114.739 114.554 0.053 0.000 2.848 486 T HA 0.331 4.681 4.350 -0.000 0.000 0.285 486 T C -1.000 173.693 174.700 -0.011 0.000 0.995 486 T CA -0.708 61.425 62.100 0.056 0.000 0.970 486 T CB 1.975 70.888 68.868 0.075 0.000 0.976 486 T HN -0.064 nan 8.240 nan 0.000 0.441 487 E N 2.371 122.580 120.200 0.016 0.000 2.129 487 E HA 0.489 4.839 4.350 -0.000 0.000 0.268 487 E C -0.932 175.666 176.600 -0.004 0.000 0.900 487 E CA -0.564 55.836 56.400 0.001 0.000 0.755 487 E CB 0.873 30.594 29.700 0.036 0.000 1.117 487 E HN 0.340 nan 8.360 nan 0.000 0.410 488 V N 5.409 125.299 119.914 -0.039 0.000 2.488 488 V HA 0.259 4.379 4.120 -0.000 0.000 0.277 488 V C 0.222 176.317 176.094 0.001 0.000 1.046 488 V CA -0.271 62.019 62.300 -0.017 0.000 0.986 488 V CB 1.007 32.803 31.823 -0.045 0.000 0.989 488 V HN 0.573 nan 8.190 nan 0.000 0.475 489 K N 3.212 123.623 120.400 0.019 0.000 2.292 489 K HA 0.553 4.873 4.320 -0.000 0.000 0.257 489 K C -0.729 175.822 176.600 -0.082 0.000 0.940 489 K CA -0.409 55.863 56.287 -0.026 0.000 0.811 489 K CB 1.702 34.194 32.500 -0.014 0.000 1.120 489 K HN 0.680 nan 8.250 nan 0.000 0.428 490 T N 2.909 117.385 114.554 -0.130 0.000 2.771 490 T HA 0.327 4.677 4.350 -0.000 0.000 0.281 490 T C -0.909 173.600 174.700 -0.319 0.000 0.982 490 T CA -0.558 61.413 62.100 -0.214 0.000 0.978 490 T CB 1.234 70.005 68.868 -0.161 0.000 0.930 490 T HN 0.303 nan 8.240 nan 0.000 0.447 491 V N 4.094 123.661 119.914 -0.578 0.000 2.378 491 V HA 0.445 4.565 4.120 -0.000 0.000 0.288 491 V C 0.099 175.830 176.094 -0.604 0.000 1.016 491 V CA -0.703 61.209 62.300 -0.646 0.000 0.840 491 V CB 1.683 32.919 31.823 -0.979 0.000 0.994 491 V HN 0.948 nan 8.190 nan 0.000 0.431 492 T N 4.801 119.160 114.554 -0.324 0.000 2.809 492 T HA 0.555 4.905 4.350 -0.000 0.000 0.296 492 T C -0.311 174.361 174.700 -0.046 0.000 1.015 492 T CA -0.325 61.652 62.100 -0.204 0.000 0.954 492 T CB 1.367 70.101 68.868 -0.224 0.000 0.950 492 T HN 0.334 nan 8.240 nan 0.000 0.450 493 V N 3.843 123.803 119.914 0.077 0.000 2.513 493 V HA 0.456 4.576 4.120 -0.000 0.000 0.299 493 V C 0.388 176.690 176.094 0.347 0.000 1.035 493 V CA -1.159 61.263 62.300 0.203 0.000 0.889 493 V CB 1.797 33.763 31.823 0.238 0.000 0.988 493 V HN 0.725 nan 8.190 nan 0.000 0.440 494 K N 3.765 124.343 120.400 0.296 0.000 2.368 494 K HA 0.501 4.821 4.320 -0.000 0.000 0.282 494 K C -0.566 176.065 176.600 0.052 0.000 1.035 494 K CA -0.264 56.116 56.287 0.155 0.000 0.973 494 K CB 1.037 33.608 32.500 0.118 0.000 0.957 494 K HN 0.677 nan 8.250 nan 0.000 0.474 495 V N 2.061 121.942 119.914 -0.054 0.000 2.864 495 V HA 0.409 4.529 4.120 -0.000 0.000 0.314 495 V C -2.152 173.890 176.094 -0.086 0.000 1.073 495 V CA -2.039 60.247 62.300 -0.025 0.000 0.956 495 V CB 1.380 33.212 31.823 0.015 0.000 1.023 495 V HN 0.674 nan 8.190 nan 0.000 0.435 496 P HA -0.111 nan 4.420 nan 0.000 0.215 496 P C 0.092 177.347 177.300 -0.075 0.000 1.157 496 P CA 1.455 64.519 63.100 -0.059 0.000 0.874 496 P CB 0.136 31.813 31.700 -0.039 0.000 0.790 497 Q N -1.291 118.468 119.800 -0.068 0.000 2.371 497 Q HA 0.163 4.503 4.340 -0.000 0.000 0.244 497 Q C -1.116 174.850 176.000 -0.055 0.000 0.882 497 Q CA -0.701 55.062 55.803 -0.066 0.000 0.866 497 Q CB 1.098 29.807 28.738 -0.049 0.000 1.399 497 Q HN -0.167 nan 8.270 nan 0.000 0.432 498 K N 3.734 124.100 120.400 -0.056 0.000 2.322 498 K HA 0.303 4.623 4.320 -0.000 0.000 0.283 498 K C -0.978 175.612 176.600 -0.018 0.000 1.042 498 K CA 0.076 56.346 56.287 -0.027 0.000 0.958 498 K CB 0.653 33.151 32.500 -0.004 0.000 0.984 498 K HN 0.640 nan 8.250 nan 0.000 0.473 499 N N 1.279 119.969 118.700 -0.017 0.000 2.262 499 N HA 0.118 4.858 4.740 -0.000 0.000 0.295 499 N C -0.749 174.755 175.510 -0.009 0.000 1.161 499 N CA -0.546 52.495 53.050 -0.015 0.000 0.767 499 N CB 1.990 40.462 38.487 -0.024 0.000 1.499 499 N HN 0.725 nan 8.380 nan 0.000 0.476 500 S N 0.000 115.697 115.700 -0.005 0.000 2.498 500 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 500 S CA 0.000 58.200 58.200 -0.001 0.000 1.107 500 S CB 0.000 63.201 63.200 0.002 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517