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 3ipl_1_B DATA FIRST_RESID 1 DATA SEQUENCE LDFWLYKQAQ QNGHHIAITD GQESYTYQNL YCEASLLAKR LKAYQQSRVG DATA SEQUENCE LYIDNSIQSI ILIHACWLAN IEIAMINTRL TPNEMTNQMR SIDVQLIFCT DATA SEQUENCE LPLELRGFQI VSLDDIEFXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXSP DATA SEQUENCE SNILNTSFNL DDIASIMFTS GTTGPQKAVP QTFRNHYASA IGCKESLGFD DATA SEQUENCE RDTNWLSVLP IYHISGLSVL LRAVIEGFTV RIVDKFNAEQ ILTMIKNERI DATA SEQUENCE THISLVPQTL NWLMQQGLHE PYNLQKILLG GAKLSATMIE TALQYNLPIY DATA SEQUENCE NSFGMTETCS QFLTATPEML HARPDTVGMP SANVDVKIKN PNKEGHGELM DATA SEQUENCE IKGANVMNGY LYPTDLTGTF ENGYFNTGDI AEIDHEGYVM IYDRRKDLII DATA SEQUENCE SGGENIYPYQ IETVAKQFPG ISDAVCVGHP DDTWGQVPKL YFVSESDISK DATA SEQUENCE AQLIAYLSKH LAKYKVPKHF EKVDT 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 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.837 176.870 -0.054 0.000 1.165 1 L CA 0.000 54.795 54.840 -0.075 0.000 0.813 1 L CB 0.000 42.033 42.059 -0.044 0.000 0.961 2 D N 0.781 121.189 120.400 0.014 0.000 2.302 2 D HA 0.436 5.077 4.640 0.001 0.000 0.248 2 D C -0.632 175.608 176.300 -0.101 0.000 1.094 2 D CA 0.336 54.356 54.000 0.033 0.000 0.897 2 D CB 0.926 41.845 40.800 0.197 0.000 1.200 2 D HN 0.347 nan 8.370 nan 0.000 0.429 3 F N 1.651 121.482 119.950 -0.198 0.000 2.572 3 F HA -0.058 4.470 4.527 0.001 0.000 0.370 3 F C 1.387 176.990 175.800 -0.328 0.000 1.103 3 F CA -0.272 57.367 58.000 -0.602 0.000 1.286 3 F CB 0.410 39.236 39.000 -0.290 0.000 1.105 3 F HN 0.467 nan 8.300 nan 0.000 0.583 4 W N 2.609 123.707 121.300 -0.337 0.000 2.342 4 W HA -0.211 4.450 4.660 0.001 0.000 0.297 4 W C 2.036 178.505 176.519 -0.084 0.000 1.213 4 W CA 0.802 58.044 57.345 -0.172 0.000 1.251 4 W CB -1.115 28.258 29.460 -0.144 0.000 1.136 4 W HN 0.462 nan 8.180 nan 0.000 0.526 5 L N -0.523 120.848 121.223 0.248 0.000 2.109 5 L HA -0.161 4.180 4.340 0.001 0.000 0.207 5 L C 2.410 179.289 176.870 0.015 0.000 1.086 5 L CA 1.741 56.683 54.840 0.170 0.000 0.760 5 L CB -1.556 40.651 42.059 0.247 0.000 0.910 5 L HN 0.007 nan 8.230 nan 0.000 0.437 6 Y N 0.588 120.791 120.300 -0.161 0.000 2.145 6 Y HA -0.265 4.286 4.550 0.001 0.000 0.286 6 Y C 2.663 178.379 175.900 -0.307 0.000 1.145 6 Y CA 2.343 60.134 58.100 -0.516 0.000 1.148 6 Y CB -0.253 38.007 38.460 -0.332 0.000 0.981 6 Y HN 0.209 nan 8.280 nan 0.000 0.507 7 K N -0.401 119.897 120.400 -0.170 0.000 2.152 7 K HA -0.234 4.087 4.320 0.001 0.000 0.206 7 K C 1.944 178.373 176.600 -0.286 0.000 1.048 7 K CA 1.698 57.860 56.287 -0.208 0.000 0.933 7 K CB -0.017 32.475 32.500 -0.013 0.000 0.721 7 K HN 0.371 nan 8.250 nan 0.000 0.447 8 Q N -0.481 119.144 119.800 -0.292 0.000 2.187 8 Q HA 0.006 4.347 4.340 0.001 0.000 0.199 8 Q C 1.912 177.744 176.000 -0.280 0.000 0.957 8 Q CA 1.212 56.772 55.803 -0.406 0.000 0.857 8 Q CB -0.026 28.246 28.738 -0.776 0.000 0.929 8 Q HN 0.375 nan 8.270 nan 0.000 0.453 9 A N 0.583 123.250 122.820 -0.255 0.000 2.014 9 A HA -0.132 4.189 4.320 0.001 0.000 0.218 9 A C 1.941 179.354 177.584 -0.284 0.000 1.163 9 A CA 0.966 52.889 52.037 -0.189 0.000 0.652 9 A CB -0.028 18.845 19.000 -0.212 0.000 0.808 9 A HN 0.195 nan 8.150 nan 0.000 0.449 10 Q N -1.098 118.438 119.800 -0.440 0.000 2.297 10 Q HA -0.046 4.294 4.340 0.001 0.000 0.203 10 Q C 2.019 177.873 176.000 -0.245 0.000 0.931 10 Q CA 1.228 56.800 55.803 -0.386 0.000 0.885 10 Q CB -0.070 28.333 28.738 -0.558 0.000 0.991 10 Q HN 0.901 nan 8.270 nan 0.000 0.498 11 Q N 1.234 120.900 119.800 -0.224 0.000 2.226 11 Q HA -0.008 4.333 4.340 0.001 0.000 0.199 11 Q C 0.247 176.177 176.000 -0.117 0.000 0.945 11 Q CA 0.694 56.406 55.803 -0.153 0.000 0.861 11 Q CB 0.544 29.194 28.738 -0.146 0.000 0.953 11 Q HN 0.401 nan 8.270 nan 0.000 0.490 12 N N -0.961 117.667 118.700 -0.120 0.000 2.687 12 N HA 0.130 4.871 4.740 0.001 0.000 0.275 12 N C 0.499 176.033 175.510 0.041 0.000 1.789 12 N CA 0.135 53.167 53.050 -0.031 0.000 0.806 12 N CB 1.021 39.519 38.487 0.019 0.000 1.256 12 N HN 0.150 nan 8.380 nan 0.000 0.500 13 G N 0.720 109.493 108.800 -0.045 0.000 2.432 13 G HA2 -0.259 3.702 3.960 0.001 0.000 0.219 13 G HA3 -0.259 3.702 3.960 0.001 0.000 0.219 13 G C 0.954 175.947 174.900 0.155 0.000 1.135 13 G CA 0.862 45.969 45.100 0.011 0.000 0.767 13 G HN 0.471 nan 8.290 nan 0.000 0.550 14 H N -0.851 118.287 119.070 0.115 0.000 2.548 14 H HA 0.117 4.674 4.556 0.001 0.000 0.268 14 H C 0.536 175.935 175.328 0.119 0.000 0.975 14 H CA -0.403 55.699 56.048 0.089 0.000 1.195 14 H CB -0.301 29.489 29.762 0.048 0.000 1.397 14 H HN 0.506 nan 8.280 nan 0.000 0.572 15 H N 0.185 119.395 119.070 0.234 0.000 2.815 15 H HA 0.108 4.665 4.556 0.001 0.000 0.350 15 H C 0.215 175.653 175.328 0.183 0.000 1.080 15 H CA -0.129 56.054 56.048 0.225 0.000 1.433 15 H CB 0.395 30.325 29.762 0.279 0.000 1.432 15 H HN 0.031 nan 8.280 nan 0.000 0.592 16 I N 4.960 125.593 120.570 0.105 0.000 2.471 16 I HA 0.027 4.198 4.170 0.001 0.000 0.286 16 I C 1.069 177.206 176.117 0.034 0.000 1.079 16 I CA 0.241 61.572 61.300 0.053 0.000 1.398 16 I CB 1.296 39.295 38.000 -0.003 0.000 1.403 16 I HN 0.764 nan 8.210 nan 0.000 0.530 17 A N 8.052 130.675 122.820 -0.329 0.000 1.871 17 A HA 0.316 4.637 4.320 0.001 0.000 0.211 17 A C 0.808 178.247 177.584 -0.241 0.000 1.207 17 A CA 0.828 52.425 52.037 -0.733 0.000 0.620 17 A CB 0.073 18.375 19.000 -1.163 0.000 0.860 17 A HN 0.705 nan 8.150 nan 0.000 0.450 18 I N -3.355 117.139 120.570 -0.127 0.000 2.722 18 I HA 0.645 4.815 4.170 0.001 0.000 0.295 18 I C -0.745 175.384 176.117 0.020 0.000 1.161 18 I CA -0.624 60.651 61.300 -0.041 0.000 1.032 18 I CB 2.311 40.258 38.000 -0.087 0.000 1.244 18 I HN -0.006 nan 8.210 nan 0.000 0.421 19 T N 1.427 116.001 114.554 0.033 0.000 2.912 19 T HA 0.391 4.742 4.350 0.001 0.000 0.299 19 T C -0.611 174.108 174.700 0.032 0.000 1.052 19 T CA -0.379 61.747 62.100 0.043 0.000 0.996 19 T CB 1.744 70.636 68.868 0.039 0.000 1.070 19 T HN 0.896 nan 8.240 nan 0.000 0.465 20 D N 1.784 122.202 120.400 0.030 0.000 2.469 20 D HA 0.256 4.897 4.640 0.001 0.000 0.215 20 D C 1.359 177.667 176.300 0.013 0.000 1.154 20 D CA 0.521 54.532 54.000 0.018 0.000 0.832 20 D CB -0.225 40.582 40.800 0.012 0.000 1.008 20 D HN 1.167 nan 8.370 nan 0.000 0.506 21 G N 0.341 109.150 108.800 0.014 0.000 2.136 21 G HA2 -0.335 3.626 3.960 0.001 0.000 0.242 21 G HA3 -0.335 3.626 3.960 0.001 0.000 0.242 21 G C 0.645 175.546 174.900 0.002 0.000 0.989 21 G CA 0.685 45.787 45.100 0.004 0.000 0.682 21 G HN 0.472 nan 8.290 nan 0.000 0.522 22 Q N -1.210 118.596 119.800 0.010 0.000 2.439 22 Q HA 0.143 4.484 4.340 0.001 0.000 0.193 22 Q C 0.732 176.743 176.000 0.017 0.000 0.724 22 Q CA 0.518 56.327 55.803 0.010 0.000 0.919 22 Q CB 0.687 29.431 28.738 0.011 0.000 1.289 22 Q HN 0.746 nan 8.270 nan 0.000 0.440 23 E N 0.011 120.234 120.200 0.037 0.000 2.235 23 E HA 0.701 5.051 4.350 0.001 0.000 0.265 23 E C -0.978 175.673 176.600 0.085 0.000 0.940 23 E CA -0.740 55.697 56.400 0.060 0.000 0.819 23 E CB 2.402 32.168 29.700 0.110 0.000 1.206 23 E HN -0.070 nan 8.360 nan 0.000 0.409 24 S N 0.822 116.574 115.700 0.088 0.000 2.536 24 S HA 0.474 4.945 4.470 0.001 0.000 0.271 24 S C -2.044 172.611 174.600 0.091 0.000 1.134 24 S CA -0.549 57.709 58.200 0.096 0.000 0.897 24 S CB 0.844 64.054 63.200 0.016 0.000 1.094 24 S HN 0.533 nan 8.310 nan 0.000 0.473 25 Y N 1.678 121.936 120.300 -0.070 0.000 2.425 25 Y HA 0.434 4.984 4.550 0.001 0.000 0.344 25 Y C 0.968 176.799 175.900 -0.116 0.000 0.969 25 Y CA -0.703 57.345 58.100 -0.087 0.000 1.052 25 Y CB 2.255 40.652 38.460 -0.106 0.000 1.215 25 Y HN 0.781 nan 8.280 nan 0.000 0.451 26 T N -1.729 112.837 114.554 0.021 0.000 2.824 26 T HA 0.156 4.506 4.350 0.001 0.000 0.277 26 T C 0.703 175.404 174.700 0.001 0.000 0.975 26 T CA -0.165 61.950 62.100 0.026 0.000 0.966 26 T CB 0.576 69.503 68.868 0.098 0.000 1.054 26 T HN 0.626 nan 8.240 nan 0.000 0.533 27 Y N -0.050 120.323 120.300 0.121 0.000 2.242 27 Y HA -0.096 4.455 4.550 0.001 0.000 0.291 27 Y C 3.091 179.048 175.900 0.095 0.000 1.137 27 Y CA 1.519 59.663 58.100 0.074 0.000 1.181 27 Y CB -0.295 38.180 38.460 0.025 0.000 0.989 27 Y HN 0.645 nan 8.280 nan 0.000 0.527 28 Q N 0.926 120.866 119.800 0.233 0.000 2.030 28 Q HA -0.217 4.124 4.340 0.001 0.000 0.204 28 Q C 1.474 177.587 176.000 0.189 0.000 0.986 28 Q CA 2.419 58.337 55.803 0.193 0.000 0.843 28 Q CB -0.465 28.364 28.738 0.151 0.000 0.904 28 Q HN 0.565 nan 8.270 nan 0.000 0.420 29 N N -0.588 118.192 118.700 0.133 0.000 2.084 29 N HA -0.162 4.579 4.740 0.001 0.000 0.190 29 N C 1.507 177.156 175.510 0.233 0.000 1.030 29 N CA 1.040 54.151 53.050 0.101 0.000 0.849 29 N CB -0.275 38.163 38.487 -0.082 0.000 1.012 29 N HN 0.165 nan 8.380 nan 0.000 0.423 30 L N 0.496 121.879 121.223 0.268 0.000 2.012 30 L HA -0.204 4.137 4.340 0.001 0.000 0.210 30 L C 2.017 178.947 176.870 0.100 0.000 1.073 30 L CA 1.641 56.568 54.840 0.145 0.000 0.748 30 L CB -0.979 41.056 42.059 -0.041 0.000 0.891 30 L HN 0.256 nan 8.230 nan 0.000 0.431 31 Y N -1.017 119.312 120.300 0.049 0.000 2.145 31 Y HA -0.323 4.228 4.550 0.001 0.000 0.286 31 Y C 2.846 178.772 175.900 0.042 0.000 1.145 31 Y CA 2.074 60.202 58.100 0.046 0.000 1.148 31 Y CB -0.641 37.867 38.460 0.080 0.000 0.981 31 Y HN 0.446 nan 8.280 nan 0.000 0.507 32 C N 0.722 119.981 119.300 -0.068 0.000 2.413 32 C HA -0.199 4.262 4.460 0.001 0.000 0.276 32 C C 2.679 177.578 174.990 -0.151 0.000 1.236 32 C CA 2.083 61.015 59.018 -0.145 0.000 1.735 32 C CB -1.178 26.562 27.740 0.000 0.000 2.031 32 C HN 0.756 nan 8.230 nan 0.000 0.474 33 E N -0.089 120.083 120.200 -0.048 0.000 2.152 33 E HA -0.034 4.317 4.350 0.001 0.000 0.192 33 E C 2.193 178.733 176.600 -0.099 0.000 0.983 33 E CA 1.095 57.474 56.400 -0.034 0.000 0.818 33 E CB -0.174 29.581 29.700 0.092 0.000 0.758 33 E HN 0.708 nan 8.360 nan 0.000 0.467 34 A N 0.059 122.805 122.820 -0.123 0.000 1.930 34 A HA -0.121 4.199 4.320 0.001 0.000 0.217 34 A C 2.297 179.760 177.584 -0.203 0.000 1.175 34 A CA 1.534 53.488 52.037 -0.138 0.000 0.627 34 A CB -0.406 18.551 19.000 -0.071 0.000 0.815 34 A HN 0.225 nan 8.150 nan 0.000 0.443 35 S N -0.163 115.337 115.700 -0.334 0.000 2.356 35 S HA -0.130 4.341 4.470 0.001 0.000 0.223 35 S C 1.799 176.275 174.600 -0.207 0.000 1.032 35 S CA 1.507 59.496 58.200 -0.352 0.000 1.005 35 S CB -0.426 62.438 63.200 -0.559 0.000 0.867 35 S HN 0.371 nan 8.310 nan 0.000 0.449 36 L N 0.993 122.110 121.223 -0.176 0.000 2.012 36 L HA -0.086 4.254 4.340 0.001 0.000 0.210 36 L C 2.230 179.039 176.870 -0.101 0.000 1.073 36 L CA 1.337 56.107 54.840 -0.116 0.000 0.748 36 L CB -0.833 41.167 42.059 -0.099 0.000 0.891 36 L HN 0.269 nan 8.230 nan 0.000 0.431 37 L N -0.767 120.387 121.223 -0.116 0.000 2.093 37 L HA -0.091 4.250 4.340 0.001 0.000 0.208 37 L C 2.502 179.302 176.870 -0.117 0.000 1.085 37 L CA 1.866 56.634 54.840 -0.120 0.000 0.755 37 L CB -0.924 41.047 42.059 -0.147 0.000 0.904 37 L HN 0.214 nan 8.230 nan 0.000 0.435 38 A N -0.572 122.177 122.820 -0.119 0.000 1.940 38 A HA -0.262 4.058 4.320 0.001 0.000 0.219 38 A C 2.316 179.872 177.584 -0.046 0.000 1.176 38 A CA 2.021 54.003 52.037 -0.092 0.000 0.631 38 A CB -0.528 18.403 19.000 -0.115 0.000 0.814 38 A HN 0.506 nan 8.150 nan 0.000 0.446 39 K N -1.058 119.312 120.400 -0.049 0.000 2.063 39 K HA -0.125 4.195 4.320 0.001 0.000 0.208 39 K C 2.208 178.815 176.600 0.012 0.000 1.048 39 K CA 1.183 57.459 56.287 -0.019 0.000 0.928 39 K CB -0.185 32.297 32.500 -0.032 0.000 0.713 39 K HN 0.211 nan 8.250 nan 0.000 0.442 40 R N 0.936 121.443 120.500 0.011 0.000 2.148 40 R HA 0.007 4.348 4.340 0.001 0.000 0.223 40 R C 2.218 178.632 176.300 0.190 0.000 1.088 40 R CA 0.883 57.023 56.100 0.065 0.000 0.985 40 R CB -0.391 29.934 30.300 0.042 0.000 0.880 40 R HN 0.250 nan 8.270 nan 0.000 0.451 41 L N -0.208 121.082 121.223 0.112 0.000 2.179 41 L HA -0.008 4.333 4.340 0.001 0.000 0.208 41 L C 2.334 179.399 176.870 0.325 0.000 1.096 41 L CA 0.884 55.840 54.840 0.194 0.000 0.779 41 L CB -0.316 41.691 42.059 -0.086 0.000 0.922 41 L HN -0.007 nan 8.230 nan 0.000 0.443 42 K N 0.689 121.197 120.400 0.181 0.000 2.147 42 K HA -0.098 4.223 4.320 0.001 0.000 0.205 42 K C 2.099 178.787 176.600 0.147 0.000 1.049 42 K CA 1.088 57.465 56.287 0.150 0.000 0.936 42 K CB -0.113 32.437 32.500 0.083 0.000 0.722 42 K HN 0.284 nan 8.250 nan 0.000 0.446 43 A N -0.235 122.659 122.820 0.122 0.000 2.178 43 A HA -0.142 4.178 4.320 0.001 0.000 0.218 43 A C 1.251 178.791 177.584 -0.073 0.000 1.157 43 A CA 1.060 53.096 52.037 -0.002 0.000 0.689 43 A CB -0.487 18.460 19.000 -0.087 0.000 0.787 43 A HN 0.365 nan 8.150 nan 0.000 0.465 44 Y N -1.598 118.765 120.300 0.105 0.000 2.500 44 Y HA 0.141 4.692 4.550 0.001 0.000 0.270 44 Y C 0.838 176.782 175.900 0.072 0.000 1.134 44 Y CA 0.625 58.786 58.100 0.102 0.000 1.293 44 Y CB 0.038 38.597 38.460 0.165 0.000 1.063 44 Y HN 0.424 nan 8.280 nan 0.000 0.534 45 Q N 1.097 121.016 119.800 0.199 0.000 2.451 45 Q HA -0.220 4.120 4.340 0.001 0.000 0.305 45 Q C -0.948 175.129 176.000 0.128 0.000 1.345 45 Q CA 0.310 56.190 55.803 0.130 0.000 0.854 45 Q CB -1.101 27.683 28.738 0.078 0.000 1.162 45 Q HN 0.425 nan 8.270 nan 0.000 0.440 46 Q N -0.748 119.146 119.800 0.156 0.000 2.340 46 Q HA 0.307 4.648 4.340 0.001 0.000 0.268 46 Q C 0.792 176.870 176.000 0.129 0.000 1.031 46 Q CA 0.226 56.103 55.803 0.124 0.000 0.804 46 Q CB 1.885 30.687 28.738 0.107 0.000 1.286 46 Q HN 0.312 nan 8.270 nan 0.000 0.448 47 S N 1.544 117.309 115.700 0.110 0.000 2.501 47 S HA 0.103 4.574 4.470 0.001 0.000 0.220 47 S C 0.686 175.362 174.600 0.126 0.000 0.997 47 S CA 0.176 58.447 58.200 0.119 0.000 0.919 47 S CB 0.547 63.807 63.200 0.099 0.000 0.778 47 S HN 0.505 nan 8.310 nan 0.000 0.523 48 R N 0.801 121.366 120.500 0.108 0.000 2.533 48 R HA 0.552 4.893 4.340 0.001 0.000 0.288 48 R C -1.627 174.720 176.300 0.078 0.000 1.039 48 R CA -0.504 55.658 56.100 0.103 0.000 0.909 48 R CB 2.091 32.446 30.300 0.092 0.000 1.195 48 R HN 0.232 nan 8.270 nan 0.000 0.438 49 V N 0.390 120.352 119.914 0.079 0.000 3.078 49 V HA 0.868 4.989 4.120 0.001 0.000 0.311 49 V C -0.110 176.000 176.094 0.026 0.000 1.138 49 V CA -0.736 61.577 62.300 0.022 0.000 1.007 49 V CB 1.909 33.752 31.823 0.033 0.000 1.045 49 V HN 0.766 nan 8.190 nan 0.000 0.432 50 G N 1.849 110.626 108.800 -0.038 0.000 2.395 50 G HA2 0.602 4.562 3.960 0.001 0.000 0.283 50 G HA3 0.602 4.562 3.960 0.001 0.000 0.283 50 G C -1.255 173.653 174.900 0.013 0.000 1.178 50 G CA -0.503 44.578 45.100 -0.031 0.000 0.837 50 G HN 0.730 nan 8.290 nan 0.000 0.518 51 L N 1.859 123.105 121.223 0.039 0.000 2.342 51 L HA 0.299 4.640 4.340 0.001 0.000 0.276 51 L C -1.020 175.888 176.870 0.063 0.000 0.997 51 L CA -0.882 53.994 54.840 0.060 0.000 0.838 51 L CB 1.520 43.591 42.059 0.020 0.000 1.224 51 L HN 0.586 nan 8.230 nan 0.000 0.416 52 Y N 6.200 126.467 120.300 -0.055 0.000 2.700 52 Y HA 0.656 5.206 4.550 0.001 0.000 0.333 52 Y C -0.213 175.664 175.900 -0.037 0.000 1.036 52 Y CA -0.788 57.266 58.100 -0.077 0.000 1.287 52 Y CB 0.310 38.710 38.460 -0.100 0.000 1.132 52 Y HN 0.484 nan 8.280 nan 0.000 0.510 53 I N 2.078 122.505 120.570 -0.238 0.000 2.934 53 I HA 0.642 4.813 4.170 0.001 0.000 0.306 53 I C -1.163 174.871 176.117 -0.139 0.000 1.110 53 I CA -1.117 60.100 61.300 -0.139 0.000 1.019 53 I CB 2.352 40.309 38.000 -0.072 0.000 1.227 53 I HN 0.323 nan 8.210 nan 0.000 0.434 54 D N 1.895 122.241 120.400 -0.089 0.000 2.569 54 D HA 0.246 4.886 4.640 0.001 0.000 0.266 54 D C -0.715 175.554 176.300 -0.052 0.000 1.164 54 D CA -0.742 53.224 54.000 -0.056 0.000 1.071 54 D CB 0.383 41.156 40.800 -0.044 0.000 1.183 54 D HN 0.484 nan 8.370 nan 0.000 0.613 55 N N -0.345 118.329 118.700 -0.045 0.000 2.739 55 N HA 0.258 4.998 4.740 0.001 0.000 0.266 55 N C -0.830 174.655 175.510 -0.042 0.000 1.168 55 N CA -0.140 52.880 53.050 -0.049 0.000 1.055 55 N CB -0.152 38.313 38.487 -0.037 0.000 1.393 55 N HN 0.443 nan 8.380 nan 0.000 0.514 56 S N -0.410 115.257 115.700 -0.055 0.000 2.595 56 S HA 0.483 4.954 4.470 0.001 0.000 0.281 56 S C 1.144 175.694 174.600 -0.083 0.000 1.117 56 S CA -0.873 57.294 58.200 -0.054 0.000 0.873 56 S CB 1.254 64.428 63.200 -0.043 0.000 1.108 56 S HN 0.046 nan 8.310 nan 0.000 0.477 57 I N 0.820 121.335 120.570 -0.092 0.000 2.118 57 I HA -0.234 3.936 4.170 0.001 0.000 0.241 57 I C 2.752 178.748 176.117 -0.203 0.000 1.070 57 I CA 1.890 63.089 61.300 -0.168 0.000 1.327 57 I CB -1.079 36.819 38.000 -0.169 0.000 1.034 57 I HN 0.756 nan 8.210 nan 0.000 0.405 58 Q N 0.800 120.515 119.800 -0.141 0.000 2.112 58 Q HA -0.174 4.167 4.340 0.001 0.000 0.206 58 Q C 2.446 178.367 176.000 -0.131 0.000 0.987 58 Q CA 2.222 57.949 55.803 -0.126 0.000 0.858 58 Q CB -0.280 28.418 28.738 -0.066 0.000 0.905 58 Q HN 0.370 nan 8.270 nan 0.000 0.420 59 S N -0.463 115.169 115.700 -0.114 0.000 2.382 59 S HA -0.081 4.390 4.470 0.001 0.000 0.228 59 S C 1.773 176.277 174.600 -0.160 0.000 1.027 59 S CA 1.081 59.208 58.200 -0.121 0.000 0.991 59 S CB -0.206 62.934 63.200 -0.099 0.000 0.823 59 S HN 0.354 nan 8.310 nan 0.000 0.469 60 I N 1.278 121.755 120.570 -0.155 0.000 2.353 60 I HA -0.123 4.048 4.170 0.001 0.000 0.248 60 I C 1.803 177.854 176.117 -0.109 0.000 1.119 60 I CA 0.598 61.812 61.300 -0.143 0.000 1.417 60 I CB -0.354 37.589 38.000 -0.094 0.000 1.078 60 I HN 0.234 nan 8.210 nan 0.000 0.421 61 I N 0.557 121.031 120.570 -0.160 0.000 2.127 61 I HA -0.289 3.881 4.170 0.001 0.000 0.241 61 I C 2.595 178.622 176.117 -0.150 0.000 1.075 61 I CA 1.629 62.837 61.300 -0.154 0.000 1.334 61 I CB -1.355 36.521 38.000 -0.207 0.000 1.040 61 I HN 0.264 nan 8.210 nan 0.000 0.405 62 L N 1.022 122.129 121.223 -0.193 0.000 2.042 62 L HA -0.162 4.179 4.340 0.001 0.000 0.210 62 L C 2.429 179.120 176.870 -0.298 0.000 1.076 62 L CA 1.710 56.409 54.840 -0.234 0.000 0.749 62 L CB -0.609 41.322 42.059 -0.213 0.000 0.893 62 L HN 0.095 nan 8.230 nan 0.000 0.432 63 I N -1.213 119.129 120.570 -0.380 0.000 2.127 63 I HA -0.337 3.834 4.170 0.001 0.000 0.241 63 I C 2.486 178.078 176.117 -0.875 0.000 1.075 63 I CA 1.353 62.230 61.300 -0.704 0.000 1.334 63 I CB -0.630 36.894 38.000 -0.794 0.000 1.040 63 I HN 0.369 nan 8.210 nan 0.000 0.405 64 H N 0.454 119.259 119.070 -0.441 0.000 2.387 64 H HA -0.073 4.484 4.556 0.001 0.000 0.299 64 H C 2.311 177.585 175.328 -0.089 0.000 1.090 64 H CA 1.602 57.560 56.048 -0.149 0.000 1.332 64 H CB -0.131 29.621 29.762 -0.017 0.000 1.386 64 H HN 0.381 nan 8.280 nan 0.000 0.516 65 A N 0.275 123.061 122.820 -0.056 0.000 1.898 65 A HA -0.145 4.175 4.320 0.001 0.000 0.216 65 A C 2.832 180.368 177.584 -0.081 0.000 1.181 65 A CA 1.279 53.260 52.037 -0.094 0.000 0.620 65 A CB -1.062 17.848 19.000 -0.149 0.000 0.819 65 A HN 0.473 nan 8.150 nan 0.000 0.442 66 C N -2.138 117.084 119.300 -0.131 0.000 2.413 66 C HA -0.159 4.301 4.460 0.001 0.000 0.277 66 C C 2.448 177.537 174.990 0.164 0.000 1.265 66 C CA 0.585 59.578 59.018 -0.043 0.000 1.752 66 C CB -1.506 26.152 27.740 -0.136 0.000 1.998 66 C HN 0.814 nan 8.230 nan 0.000 0.489 67 W N 0.536 121.911 121.300 0.124 0.000 2.418 67 W HA 0.085 4.746 4.660 0.001 0.000 0.292 67 W C 2.240 178.821 176.519 0.103 0.000 1.213 67 W CA 0.531 58.032 57.345 0.260 0.000 1.283 67 W CB -1.341 28.341 29.460 0.371 0.000 1.119 67 W HN 0.319 nan 8.180 nan 0.000 0.542 68 L N 0.063 121.311 121.223 0.042 0.000 2.201 68 L HA -0.070 4.271 4.340 0.001 0.000 0.212 68 L C 2.304 179.054 176.870 -0.200 0.000 1.105 68 L CA 1.198 55.752 54.840 -0.476 0.000 0.775 68 L CB -0.932 40.891 42.059 -0.393 0.000 0.913 68 L HN -0.153 nan 8.230 nan 0.000 0.440 69 A N -1.139 121.682 122.820 0.002 0.000 2.251 69 A HA -0.012 4.309 4.320 0.001 0.000 0.209 69 A C 0.720 178.399 177.584 0.158 0.000 1.187 69 A CA -0.030 52.046 52.037 0.064 0.000 0.823 69 A CB -0.267 18.767 19.000 0.057 0.000 0.846 69 A HN 0.550 nan 8.150 nan 0.000 0.486 70 N N -0.696 118.156 118.700 0.254 0.000 2.735 70 N HA -0.145 4.596 4.740 0.001 0.000 0.248 70 N C -0.547 175.124 175.510 0.269 0.000 1.083 70 N CA 1.164 54.397 53.050 0.305 0.000 0.703 70 N CB -1.351 37.283 38.487 0.245 0.000 1.005 70 N HN 0.641 nan 8.380 nan 0.000 0.550 71 I N 0.642 121.384 120.570 0.287 0.000 2.392 71 I HA 0.175 4.346 4.170 0.001 0.000 0.295 71 I C 0.752 177.056 176.117 0.311 0.000 0.985 71 I CA -0.599 60.850 61.300 0.250 0.000 1.221 71 I CB 1.267 39.388 38.000 0.202 0.000 1.366 71 I HN -0.093 nan 8.210 nan 0.000 0.467 72 E N 5.815 126.159 120.200 0.241 0.000 2.259 72 E HA 0.368 4.719 4.350 0.001 0.000 0.281 72 E C -0.765 175.948 176.600 0.189 0.000 1.037 72 E CA -0.300 56.234 56.400 0.223 0.000 0.854 72 E CB 1.388 31.181 29.700 0.154 0.000 1.051 72 E HN 0.411 nan 8.360 nan 0.000 0.409 73 I N 2.739 123.433 120.570 0.207 0.000 2.304 73 I HA 0.211 4.382 4.170 0.001 0.000 0.291 73 I C -0.034 176.159 176.117 0.127 0.000 1.018 73 I CA -0.400 60.982 61.300 0.136 0.000 1.260 73 I CB 1.153 39.206 38.000 0.089 0.000 1.390 73 I HN 0.498 nan 8.210 nan 0.000 0.475 74 A N 8.562 131.445 122.820 0.105 0.000 2.260 74 A HA 0.568 4.888 4.320 0.001 0.000 0.312 74 A C 0.013 177.653 177.584 0.092 0.000 1.321 74 A CA -0.639 51.468 52.037 0.116 0.000 0.928 74 A CB 0.247 19.323 19.000 0.127 0.000 1.158 74 A HN 0.591 nan 8.150 nan 0.000 0.542 75 M N 3.336 122.999 119.600 0.105 0.000 2.188 75 M HA 0.235 4.716 4.480 0.001 0.000 0.354 75 M C -0.212 176.109 176.300 0.034 0.000 1.342 75 M CA 0.292 55.636 55.300 0.072 0.000 1.117 75 M CB -0.022 32.644 32.600 0.109 0.000 1.670 75 M HN 0.489 nan 8.290 nan 0.000 0.466 76 I N 3.534 124.075 120.570 -0.049 0.000 2.342 76 I HA 0.130 4.300 4.170 0.001 0.000 0.291 76 I C 0.788 176.643 176.117 -0.437 0.000 1.010 76 I CA -0.672 60.545 61.300 -0.139 0.000 1.308 76 I CB 0.638 38.624 38.000 -0.023 0.000 1.400 76 I HN 0.557 nan 8.210 nan 0.000 0.488 77 N N 4.423 122.811 118.700 -0.520 0.000 2.452 77 N HA 0.004 4.744 4.740 0.001 0.000 0.266 77 N C 0.894 175.970 175.510 -0.723 0.000 1.209 77 N CA 0.520 52.985 53.050 -0.975 0.000 0.929 77 N CB 1.033 39.257 38.487 -0.439 0.000 1.063 77 N HN 0.564 nan 8.380 nan 0.000 0.472 78 T N 3.492 117.441 114.554 -1.008 0.000 2.881 78 T HA -0.019 4.332 4.350 0.001 0.000 0.270 78 T C 1.143 175.753 174.700 -0.151 0.000 1.068 78 T CA 0.989 62.817 62.100 -0.453 0.000 1.131 78 T CB 0.067 68.709 68.868 -0.378 0.000 0.871 78 T HN 0.431 nan 8.240 nan 0.000 0.479 79 R N 0.921 121.341 120.500 -0.133 0.000 2.423 79 R HA 0.238 4.579 4.340 0.001 0.000 0.248 79 R C -0.497 175.789 176.300 -0.022 0.000 1.019 79 R CA -0.106 55.985 56.100 -0.016 0.000 1.119 79 R CB -0.532 29.802 30.300 0.056 0.000 1.176 79 R HN 0.260 nan 8.270 nan 0.000 0.526 80 L N 0.879 122.068 121.223 -0.057 0.000 2.343 80 L HA 0.196 4.537 4.340 0.001 0.000 0.275 80 L C 1.020 177.868 176.870 -0.038 0.000 1.056 80 L CA -0.260 54.546 54.840 -0.055 0.000 0.804 80 L CB 1.419 43.416 42.059 -0.104 0.000 1.203 80 L HN 0.105 nan 8.230 nan 0.000 0.440 81 T N -0.069 114.462 114.554 -0.038 0.000 2.860 81 T HA 0.213 4.564 4.350 0.001 0.000 0.299 81 T C -1.902 172.763 174.700 -0.059 0.000 1.045 81 T CA -1.224 60.855 62.100 -0.035 0.000 1.071 81 T CB 0.549 69.402 68.868 -0.024 0.000 0.985 81 T HN 0.457 nan 8.240 nan 0.000 0.537 82 P HA -0.097 nan 4.420 nan 0.000 0.217 82 P C 1.446 178.712 177.300 -0.056 0.000 1.148 82 P CA 0.885 63.944 63.100 -0.070 0.000 0.828 82 P CB -0.017 31.653 31.700 -0.050 0.000 0.783 83 N N -0.308 118.368 118.700 -0.040 0.000 2.142 83 N HA -0.154 4.586 4.740 0.001 0.000 0.186 83 N C 1.628 177.105 175.510 -0.055 0.000 1.023 83 N CA 1.390 54.421 53.050 -0.032 0.000 0.852 83 N CB -0.400 38.075 38.487 -0.021 0.000 0.998 83 N HN 0.121 nan 8.380 nan 0.000 0.424 84 E N -0.441 119.714 120.200 -0.074 0.000 2.047 84 E HA -0.141 4.210 4.350 0.001 0.000 0.191 84 E C 2.044 178.536 176.600 -0.181 0.000 0.987 84 E CA 1.018 57.351 56.400 -0.113 0.000 0.799 84 E CB -0.070 29.571 29.700 -0.098 0.000 0.752 84 E HN 0.434 nan 8.360 nan 0.000 0.449 85 M N 0.177 119.671 119.600 -0.176 0.000 2.108 85 M HA -0.171 4.310 4.480 0.001 0.000 0.261 85 M C 2.390 178.530 176.300 -0.266 0.000 1.066 85 M CA 1.403 56.557 55.300 -0.242 0.000 1.107 85 M CB -0.387 32.069 32.600 -0.240 0.000 1.356 85 M HN 0.125 nan 8.290 nan 0.000 0.406 86 T N 0.617 115.085 114.554 -0.142 0.000 2.674 86 T HA -0.113 4.237 4.350 0.001 0.000 0.265 86 T C 1.551 176.278 174.700 0.045 0.000 1.039 86 T CA 1.472 63.603 62.100 0.051 0.000 1.150 86 T CB -0.392 68.566 68.868 0.151 0.000 0.864 86 T HN 0.332 nan 8.240 nan 0.000 0.427 87 N N 1.160 119.831 118.700 -0.048 0.000 2.166 87 N HA -0.054 4.687 4.740 0.001 0.000 0.186 87 N C 2.065 177.469 175.510 -0.176 0.000 1.019 87 N CA 0.954 53.957 53.050 -0.079 0.000 0.856 87 N CB -0.321 38.124 38.487 -0.070 0.000 0.993 87 N HN 0.522 nan 8.380 nan 0.000 0.426 88 Q N -0.365 119.247 119.800 -0.313 0.000 2.046 88 Q HA -0.021 4.319 4.340 0.001 0.000 0.200 88 Q C 1.745 177.594 176.000 -0.251 0.000 0.975 88 Q CA 1.029 56.477 55.803 -0.593 0.000 0.836 88 Q CB -0.034 28.048 28.738 -1.092 0.000 0.896 88 Q HN 0.244 nan 8.270 nan 0.000 0.428 89 M N 0.196 119.690 119.600 -0.176 0.000 2.117 89 M HA -0.139 4.341 4.480 0.001 0.000 0.262 89 M C 1.920 178.276 176.300 0.093 0.000 1.065 89 M CA 1.595 56.873 55.300 -0.037 0.000 1.114 89 M CB -0.869 31.597 32.600 -0.223 0.000 1.361 89 M HN 0.128 nan 8.290 nan 0.000 0.408 90 R N -0.101 120.466 120.500 0.112 0.000 2.096 90 R HA -0.101 4.240 4.340 0.001 0.000 0.235 90 R C 2.263 178.532 176.300 -0.052 0.000 1.127 90 R CA 1.806 57.941 56.100 0.058 0.000 0.968 90 R CB -0.634 29.686 30.300 0.034 0.000 0.861 90 R HN 0.551 nan 8.270 nan 0.000 0.440 91 S N 1.055 116.648 115.700 -0.179 0.000 2.447 91 S HA -0.090 4.380 4.470 0.001 0.000 0.233 91 S C 1.739 176.211 174.600 -0.213 0.000 1.006 91 S CA 1.011 58.936 58.200 -0.458 0.000 0.957 91 S CB -0.373 62.163 63.200 -1.105 0.000 0.773 91 S HN 0.520 nan 8.310 nan 0.000 0.507 92 I N -2.591 117.973 120.570 -0.011 0.000 3.936 92 I HA 0.406 4.577 4.170 0.001 0.000 0.330 92 I C -0.932 175.229 176.117 0.073 0.000 1.509 92 I CA -0.450 60.893 61.300 0.073 0.000 1.126 92 I CB -0.086 38.000 38.000 0.143 0.000 1.115 92 I HN -0.168 nan 8.210 nan 0.000 0.424 93 D N 2.420 122.853 120.400 0.056 0.000 2.705 93 D HA -0.140 4.501 4.640 0.001 0.000 0.240 93 D C 0.038 176.385 176.300 0.078 0.000 1.137 93 D CA 1.079 55.115 54.000 0.060 0.000 0.677 93 D CB -0.859 39.971 40.800 0.051 0.000 1.049 93 D HN 0.477 nan 8.370 nan 0.000 0.427 94 V N -0.723 119.257 119.914 0.109 0.000 2.547 94 V HA 0.504 4.625 4.120 0.001 0.000 0.299 94 V C 1.075 177.295 176.094 0.210 0.000 1.040 94 V CA -0.006 62.364 62.300 0.117 0.000 0.913 94 V CB 2.091 33.959 31.823 0.074 0.000 0.992 94 V HN 0.220 nan 8.190 nan 0.000 0.449 95 Q N 4.114 124.002 119.800 0.146 0.000 2.280 95 Q HA 0.371 4.712 4.340 0.001 0.000 0.244 95 Q C -0.006 176.084 176.000 0.151 0.000 0.847 95 Q CA -0.408 55.493 55.803 0.163 0.000 0.945 95 Q CB 0.856 29.605 28.738 0.017 0.000 1.115 95 Q HN 0.595 nan 8.270 nan 0.000 0.513 96 L N 1.942 123.173 121.223 0.014 0.000 2.305 96 L HA 0.549 4.890 4.340 0.001 0.000 0.284 96 L C -1.426 175.276 176.870 -0.280 0.000 1.013 96 L CA -0.834 53.901 54.840 -0.175 0.000 0.819 96 L CB 1.514 43.393 42.059 -0.299 0.000 1.227 96 L HN 0.134 nan 8.230 nan 0.000 0.417 97 I N 5.745 126.125 120.570 -0.316 0.000 2.382 97 I HA 0.326 4.497 4.170 0.001 0.000 0.286 97 I C -0.797 175.124 176.117 -0.327 0.000 1.002 97 I CA -0.331 60.797 61.300 -0.285 0.000 1.135 97 I CB 1.106 38.964 38.000 -0.237 0.000 1.288 97 I HN 0.465 nan 8.210 nan 0.000 0.448 98 F N 5.604 125.498 119.950 -0.094 0.000 2.394 98 F HA 0.482 5.010 4.527 0.001 0.000 0.340 98 F C 0.545 176.326 175.800 -0.033 0.000 1.105 98 F CA -0.558 57.384 58.000 -0.096 0.000 1.124 98 F CB 1.261 40.185 39.000 -0.127 0.000 1.145 98 F HN 0.504 nan 8.300 nan 0.000 0.505 99 C N -0.002 119.420 119.300 0.203 0.000 2.698 99 C HA 0.620 5.081 4.460 0.001 0.000 0.309 99 C C 0.609 175.667 174.990 0.113 0.000 1.186 99 C CA -0.352 58.765 59.018 0.166 0.000 1.474 99 C CB 0.950 28.799 27.740 0.180 0.000 2.020 99 C HN 0.963 nan 8.230 nan 0.000 0.474 100 T N -0.464 114.142 114.554 0.086 0.000 3.054 100 T HA 0.364 4.715 4.350 0.001 0.000 0.255 100 T C 0.144 174.879 174.700 0.060 0.000 1.035 100 T CA 0.059 62.186 62.100 0.045 0.000 0.941 100 T CB -0.216 68.650 68.868 -0.003 0.000 1.026 100 T HN 0.704 nan 8.240 nan 0.000 0.533 101 L N 1.076 122.370 121.223 0.118 0.000 2.341 101 L HA 0.577 4.918 4.340 0.001 0.000 0.267 101 L C -2.745 174.241 176.870 0.194 0.000 1.009 101 L CA -3.044 51.883 54.840 0.146 0.000 0.819 101 L CB 1.995 44.139 42.059 0.141 0.000 1.323 101 L HN -0.211 nan 8.230 nan 0.000 0.425 102 P HA 0.153 nan 4.420 nan 0.000 0.266 102 P C -1.183 176.131 177.300 0.024 0.000 1.215 102 P CA -0.000 63.141 63.100 0.069 0.000 0.763 102 P CB 0.580 32.307 31.700 0.046 0.000 0.806 103 L N 2.877 124.048 121.223 -0.087 0.000 2.408 103 L HA 0.536 4.876 4.340 0.001 0.000 0.268 103 L C -0.741 176.021 176.870 -0.180 0.000 0.986 103 L CA -0.457 54.214 54.840 -0.283 0.000 0.820 103 L CB 2.023 43.712 42.059 -0.616 0.000 1.303 103 L HN 0.211 nan 8.230 nan 0.000 0.411 104 E N 5.968 126.065 120.200 -0.170 0.000 2.191 104 E HA 0.419 4.770 4.350 0.001 0.000 0.263 104 E C -2.143 174.386 176.600 -0.118 0.000 0.881 104 E CA -0.476 55.859 56.400 -0.107 0.000 0.757 104 E CB 1.648 31.309 29.700 -0.064 0.000 1.147 104 E HN 0.729 nan 8.360 nan 0.000 0.414 105 L N 4.788 125.967 121.223 -0.075 0.000 2.528 105 L HA 0.423 4.764 4.340 0.001 0.000 0.267 105 L C -0.305 176.634 176.870 0.116 0.000 0.961 105 L CA -0.604 54.225 54.840 -0.019 0.000 0.866 105 L CB 1.923 43.909 42.059 -0.123 0.000 1.248 105 L HN 0.513 nan 8.230 nan 0.000 0.404 106 R N 2.216 122.771 120.500 0.092 0.000 2.401 106 R HA 0.368 4.709 4.340 0.001 0.000 0.299 106 R C 0.884 177.203 176.300 0.032 0.000 1.064 106 R CA 1.345 57.476 56.100 0.052 0.000 1.000 106 R CB 0.639 30.944 30.300 0.009 0.000 0.973 106 R HN 0.933 nan 8.270 nan 0.000 0.438 107 G N 3.104 111.849 108.800 -0.091 0.000 2.163 107 G HA2 -0.232 3.729 3.960 0.001 0.000 0.213 107 G HA3 -0.232 3.729 3.960 0.001 0.000 0.213 107 G C -0.443 174.079 174.900 -0.631 0.000 0.991 107 G CA -0.421 44.467 45.100 -0.353 0.000 0.653 107 G HN 0.517 nan 8.290 nan 0.000 0.518 108 F N -0.004 119.903 119.950 -0.072 0.000 2.576 108 F HA 0.577 5.105 4.527 0.001 0.000 0.313 108 F C 0.372 176.120 175.800 -0.087 0.000 1.078 108 F CA -0.887 57.061 58.000 -0.086 0.000 0.921 108 F CB 1.962 40.898 39.000 -0.107 0.000 1.232 108 F HN -0.022 nan 8.300 nan 0.000 0.459 109 Q N 3.715 123.569 119.800 0.091 0.000 2.348 109 Q HA 0.276 4.616 4.340 0.001 0.000 0.251 109 Q C -0.913 175.063 176.000 -0.041 0.000 1.113 109 Q CA -0.283 55.528 55.803 0.013 0.000 0.902 109 Q CB 0.245 28.980 28.738 -0.006 0.000 1.333 109 Q HN 0.377 nan 8.270 nan 0.000 0.457 110 I N 4.440 124.994 120.570 -0.027 0.000 2.342 110 I HA 0.251 4.421 4.170 0.001 0.000 0.291 110 I C -0.149 175.940 176.117 -0.046 0.000 1.010 110 I CA -0.523 60.736 61.300 -0.067 0.000 1.308 110 I CB 1.118 39.084 38.000 -0.056 0.000 1.400 110 I HN 0.268 nan 8.210 nan 0.000 0.488 111 V N 5.150 125.027 119.914 -0.062 0.000 2.443 111 V HA 0.243 4.364 4.120 0.001 0.000 0.293 111 V C 0.302 176.476 176.094 0.133 0.000 1.021 111 V CA -0.621 61.709 62.300 0.049 0.000 0.848 111 V CB 1.861 33.708 31.823 0.040 0.000 0.998 111 V HN 0.874 nan 8.190 nan 0.000 0.424 112 S N 3.840 119.605 115.700 0.109 0.000 2.548 112 S HA 0.287 4.757 4.470 0.001 0.000 0.277 112 S C 0.814 175.479 174.600 0.107 0.000 1.315 112 S CA -0.440 57.821 58.200 0.101 0.000 1.050 112 S CB 1.012 64.255 63.200 0.072 0.000 0.918 112 S HN 0.653 nan 8.310 nan 0.000 0.497 113 L N 3.930 125.200 121.223 0.078 0.000 2.376 113 L HA 0.081 4.421 4.340 0.001 0.000 0.219 113 L C 1.642 178.545 176.870 0.055 0.000 1.133 113 L CA 1.650 56.509 54.840 0.031 0.000 0.816 113 L CB -0.437 41.611 42.059 -0.018 0.000 0.933 113 L HN 0.721 nan 8.230 nan 0.000 0.449 114 D N -0.275 120.173 120.400 0.080 0.000 2.178 114 D HA -0.151 4.489 4.640 0.001 0.000 0.202 114 D C 1.310 177.698 176.300 0.147 0.000 0.974 114 D CA 1.153 55.225 54.000 0.120 0.000 0.841 114 D CB -0.002 40.854 40.800 0.093 0.000 0.953 114 D HN 0.428 nan 8.370 nan 0.000 0.478 115 D N 0.236 120.704 120.400 0.115 0.000 2.269 115 D HA -0.010 4.631 4.640 0.001 0.000 0.208 115 D C 2.190 178.572 176.300 0.137 0.000 0.963 115 D CA 0.295 54.368 54.000 0.120 0.000 0.864 115 D CB 0.183 41.048 40.800 0.108 0.000 0.936 115 D HN 0.356 nan 8.370 nan 0.000 0.505 116 I N 0.452 121.094 120.570 0.120 0.000 2.556 116 I HA -0.051 4.120 4.170 0.001 0.000 0.251 116 I C 2.063 178.219 176.117 0.064 0.000 1.105 116 I CA 0.475 61.834 61.300 0.098 0.000 1.436 116 I CB -0.138 37.894 38.000 0.053 0.000 1.139 116 I HN -0.195 nan 8.210 nan 0.000 0.438 117 E N 0.590 120.818 120.200 0.046 0.000 2.347 117 E HA -0.028 4.322 4.350 0.001 0.000 0.196 117 E C 0.386 176.938 176.600 -0.080 0.000 1.008 117 E CA 0.709 57.094 56.400 -0.025 0.000 0.852 117 E CB 0.219 29.891 29.700 -0.047 0.000 0.783 117 E HN 0.249 nan 8.360 nan 0.000 0.505 150 P HA 0.090 nan 4.420 nan 0.000 0.225 150 P C 0.985 178.284 177.300 -0.002 0.000 1.156 150 P CA 0.598 63.692 63.100 -0.011 0.000 0.787 150 P CB 0.067 31.779 31.700 0.020 0.000 0.802 151 S N -0.676 114.996 115.700 -0.046 0.000 2.515 151 S HA -0.002 4.469 4.470 0.001 0.000 0.231 151 S C 1.387 175.980 174.600 -0.013 0.000 0.987 151 S CA 0.773 58.961 58.200 -0.021 0.000 0.936 151 S CB -0.553 62.617 63.200 -0.051 0.000 0.766 151 S HN 0.221 nan 8.310 nan 0.000 0.528 152 N N 1.802 120.494 118.700 -0.013 0.000 2.591 152 N HA 0.194 4.935 4.740 0.001 0.000 0.200 152 N C 1.607 177.120 175.510 0.005 0.000 1.040 152 N CA 0.711 53.763 53.050 0.002 0.000 0.911 152 N CB -0.352 38.141 38.487 0.011 0.000 1.259 152 N HN 0.532 nan 8.380 nan 0.000 0.438 153 I N -1.920 118.654 120.570 0.006 0.000 3.684 153 I HA 0.268 4.439 4.170 0.001 0.000 0.304 153 I C 0.793 176.901 176.117 -0.015 0.000 1.278 153 I CA 0.728 62.026 61.300 -0.002 0.000 1.272 153 I CB 0.114 38.113 38.000 -0.002 0.000 1.029 153 I HN -0.076 nan 8.210 nan 0.000 0.458 154 L N -0.103 121.115 121.223 -0.008 0.000 3.154 154 L HA 0.285 4.626 4.340 0.001 0.000 0.280 154 L C 0.289 177.170 176.870 0.018 0.000 1.134 154 L CA -0.037 54.799 54.840 -0.005 0.000 1.037 154 L CB 0.205 42.248 42.059 -0.027 0.000 1.571 154 L HN 0.122 nan 8.230 nan 0.000 0.576 155 N N 1.731 120.445 118.700 0.023 0.000 2.735 155 N HA -0.133 4.608 4.740 0.001 0.000 0.248 155 N C -0.022 175.524 175.510 0.060 0.000 1.083 155 N CA 1.324 54.394 53.050 0.033 0.000 0.703 155 N CB -1.021 37.480 38.487 0.023 0.000 1.005 155 N HN 0.513 nan 8.380 nan 0.000 0.550 156 T N -3.417 111.198 114.554 0.102 0.000 2.918 156 T HA 0.652 5.003 4.350 0.001 0.000 0.286 156 T C 0.120 174.980 174.700 0.266 0.000 1.026 156 T CA -0.656 61.556 62.100 0.186 0.000 1.031 156 T CB 2.843 71.848 68.868 0.229 0.000 1.046 156 T HN 0.070 nan 8.240 nan 0.000 0.479 157 S N 0.865 116.680 115.700 0.191 0.000 2.542 157 S HA 0.641 5.112 4.470 0.001 0.000 0.293 157 S C -1.345 173.076 174.600 -0.299 0.000 1.089 157 S CA -0.980 57.208 58.200 -0.020 0.000 0.961 157 S CB 0.848 64.006 63.200 -0.069 0.000 1.062 157 S HN 0.694 nan 8.310 nan 0.000 0.483 158 F N 3.827 123.209 119.950 -0.947 0.000 2.410 158 F HA 0.550 5.078 4.527 0.001 0.000 0.349 158 F C -0.361 175.011 175.800 -0.713 0.000 1.117 158 F CA -0.448 56.780 58.000 -1.286 0.000 1.104 158 F CB 0.614 38.524 39.000 -1.817 0.000 1.122 158 F HN 0.674 nan 8.300 nan 0.000 0.483 159 N N 6.499 124.474 118.700 -1.209 0.000 2.346 159 N HA 0.292 5.032 4.740 0.001 0.000 0.289 159 N C 0.319 175.185 175.510 -1.073 0.000 1.027 159 N CA -0.736 51.747 53.050 -0.945 0.000 0.864 159 N CB 2.207 40.427 38.487 -0.445 0.000 1.370 159 N HN 0.608 nan 8.380 nan 0.000 0.481 160 L N 0.583 121.252 121.223 -0.922 0.000 2.265 160 L HA -0.112 4.229 4.340 0.001 0.000 0.215 160 L C 0.872 177.638 176.870 -0.172 0.000 1.117 160 L CA 1.107 55.637 54.840 -0.517 0.000 0.782 160 L CB -0.042 41.817 42.059 -0.333 0.000 0.914 160 L HN 0.632 nan 8.230 nan 0.000 0.441 161 D N -0.788 119.499 120.400 -0.189 0.000 2.349 161 D HA -0.015 4.626 4.640 0.001 0.000 0.215 161 D C 0.228 176.498 176.300 -0.049 0.000 1.016 161 D CA 0.380 54.319 54.000 -0.102 0.000 0.870 161 D CB 0.010 40.741 40.800 -0.114 0.000 0.917 161 D HN 0.271 nan 8.370 nan 0.000 0.524 162 D N 0.721 121.117 120.400 -0.006 0.000 2.443 162 D HA 0.079 4.719 4.640 0.001 0.000 0.239 162 D C 0.786 177.136 176.300 0.083 0.000 1.136 162 D CA 0.024 54.080 54.000 0.093 0.000 0.879 162 D CB 1.205 42.129 40.800 0.208 0.000 1.195 162 D HN 0.063 nan 8.370 nan 0.000 0.443 163 I N 1.941 122.524 120.570 0.023 0.000 2.587 163 I HA 0.023 4.193 4.170 0.001 0.000 0.284 163 I C 1.284 177.326 176.117 -0.124 0.000 1.134 163 I CA -0.087 61.176 61.300 -0.061 0.000 1.410 163 I CB 1.041 39.036 38.000 -0.008 0.000 1.392 163 I HN 0.433 nan 8.210 nan 0.000 0.545 164 A N 5.211 127.774 122.820 -0.429 0.000 1.901 164 A HA 0.120 4.441 4.320 0.001 0.000 0.210 164 A C 0.831 178.487 177.584 0.120 0.000 1.208 164 A CA 0.783 52.434 52.037 -0.644 0.000 0.644 164 A CB 0.056 18.157 19.000 -1.499 0.000 0.863 164 A HN 0.704 nan 8.150 nan 0.000 0.454 165 S N -1.396 114.374 115.700 0.117 0.000 2.546 165 S HA 0.746 5.217 4.470 0.001 0.000 0.274 165 S C -1.049 173.618 174.600 0.112 0.000 1.121 165 S CA -0.551 57.776 58.200 0.211 0.000 0.887 165 S CB 1.353 64.740 63.200 0.313 0.000 1.094 165 S HN 0.204 nan 8.310 nan 0.000 0.474 166 I N 2.093 122.726 120.570 0.106 0.000 2.418 166 I HA 0.472 4.643 4.170 0.001 0.000 0.287 166 I C -0.589 175.577 176.117 0.081 0.000 1.008 166 I CA -0.462 60.869 61.300 0.052 0.000 1.104 166 I CB 1.738 39.760 38.000 0.037 0.000 1.264 166 I HN 0.528 nan 8.210 nan 0.000 0.438 167 M N 5.337 124.967 119.600 0.050 0.000 2.464 167 M HA 0.517 4.998 4.480 0.001 0.000 0.308 167 M C -1.145 175.190 176.300 0.059 0.000 1.127 167 M CA -0.502 54.879 55.300 0.134 0.000 0.913 167 M CB 2.397 35.106 32.600 0.181 0.000 1.689 167 M HN 0.268 nan 8.290 nan 0.000 0.445 168 F N 0.626 120.660 119.950 0.140 0.000 2.385 168 F HA 0.386 4.914 4.527 0.002 0.000 0.336 168 F C 1.024 176.927 175.800 0.172 0.000 1.100 168 F CA -0.348 57.737 58.000 0.141 0.000 1.116 168 F CB 1.521 40.580 39.000 0.098 0.000 1.166 168 F HN 0.466 nan 8.300 nan 0.000 0.511 169 T N -0.055 114.679 114.554 0.301 0.000 2.918 169 T HA 0.593 4.944 4.350 0.001 0.000 0.302 169 T C -0.184 174.658 174.700 0.237 0.000 1.045 169 T CA -0.637 61.604 62.100 0.235 0.000 1.114 169 T CB 0.990 69.963 68.868 0.175 0.000 0.965 169 T HN 0.647 nan 8.240 nan 0.000 0.540 170 S N 0.093 115.906 115.700 0.187 0.000 2.638 170 S HA 0.812 5.283 4.470 0.001 0.000 0.274 170 S C 0.741 175.408 174.600 0.111 0.000 1.157 170 S CA -0.449 57.847 58.200 0.160 0.000 0.826 170 S CB 1.270 64.593 63.200 0.206 0.000 1.139 170 S HN 2.053 nan 8.310 nan 0.000 0.474 171 G N 0.185 109.045 108.800 0.101 0.000 2.213 171 G HA2 -0.079 3.882 3.960 0.001 0.000 0.226 171 G HA3 -0.079 3.882 3.960 0.001 0.000 0.226 171 G C 0.072 175.029 174.900 0.095 0.000 0.992 171 G CA 0.271 45.422 45.100 0.086 0.000 0.632 171 G HN 1.863 nan 8.290 nan 0.000 0.511 172 T N -0.330 114.286 114.554 0.103 0.000 2.881 172 T HA 0.608 4.958 4.350 0.001 0.000 0.290 172 T C -0.275 174.481 174.700 0.094 0.000 1.000 172 T CA 0.174 62.341 62.100 0.111 0.000 0.978 172 T CB 1.966 70.913 68.868 0.131 0.000 0.997 172 T HN 0.444 nan 8.240 nan 0.000 0.443 173 T N 2.867 117.471 114.554 0.084 0.000 2.834 173 T HA 0.607 4.958 4.350 0.001 0.000 0.298 173 T C 0.983 175.711 174.700 0.048 0.000 0.966 173 T CA 0.427 62.564 62.100 0.062 0.000 1.141 173 T CB 0.408 69.307 68.868 0.052 0.000 0.905 173 T HN 1.315 nan 8.240 nan 0.000 0.535 174 G N 3.792 112.617 108.800 0.040 0.000 2.366 174 G HA2 0.256 4.217 3.960 0.001 0.000 0.190 174 G HA3 0.256 4.217 3.960 0.001 0.000 0.190 174 G C -2.824 172.098 174.900 0.037 0.000 1.299 174 G CA -1.069 44.045 45.100 0.023 0.000 1.056 174 G HN 0.655 nan 8.290 nan 0.000 0.468 175 P HA 0.376 nan 4.420 nan 0.000 0.276 175 P C -0.678 176.666 177.300 0.073 0.000 1.264 175 P CA 0.196 63.323 63.100 0.046 0.000 0.769 175 P CB 0.782 32.477 31.700 -0.008 0.000 0.840 176 Q N 2.440 122.327 119.800 0.146 0.000 2.304 176 Q HA 0.223 4.564 4.340 0.001 0.000 0.260 176 Q C -0.067 176.127 176.000 0.323 0.000 0.965 176 Q CA 0.205 56.150 55.803 0.236 0.000 0.898 176 Q CB 0.926 29.821 28.738 0.262 0.000 1.196 176 Q HN 0.327 nan 8.270 nan 0.000 0.402 177 K N 1.103 121.603 120.400 0.166 0.000 2.182 177 K HA 0.594 4.915 4.320 0.001 0.000 0.262 177 K C -0.963 175.538 176.600 -0.166 0.000 0.957 177 K CA -0.674 55.564 56.287 -0.082 0.000 0.842 177 K CB 1.678 33.794 32.500 -0.640 0.000 1.099 177 K HN 0.604 nan 8.250 nan 0.000 0.438 178 A N 2.685 125.307 122.820 -0.330 0.000 2.302 178 A HA 0.322 4.642 4.320 0.001 0.000 0.295 178 A C -0.338 177.170 177.584 -0.127 0.000 1.235 178 A CA -0.555 51.052 52.037 -0.716 0.000 0.876 178 A CB 0.178 18.759 19.000 -0.698 0.000 1.133 178 A HN 0.449 nan 8.150 nan 0.000 0.533 179 V N 6.655 126.504 119.914 -0.108 0.000 2.350 179 V HA 0.357 4.478 4.120 0.001 0.000 0.276 179 V C -2.089 173.971 176.094 -0.057 0.000 1.028 179 V CA -1.434 60.868 62.300 0.003 0.000 0.860 179 V CB 1.378 33.216 31.823 0.025 0.000 0.990 179 V HN 0.833 nan 8.190 nan 0.000 0.453 180 P HA 0.384 nan 4.420 nan 0.000 0.290 180 P C -1.219 176.013 177.300 -0.114 0.000 1.276 180 P CA -0.657 62.404 63.100 -0.066 0.000 0.808 180 P CB 1.085 32.755 31.700 -0.050 0.000 0.966 181 Q N 0.918 120.640 119.800 -0.129 0.000 2.320 181 Q HA 0.344 4.685 4.340 0.001 0.000 0.268 181 Q C 0.303 176.094 176.000 -0.348 0.000 1.023 181 Q CA -0.602 55.036 55.803 -0.275 0.000 0.744 181 Q CB 1.616 30.182 28.738 -0.287 0.000 1.246 181 Q HN 0.475 nan 8.270 nan 0.000 0.462 182 T N -1.793 112.569 114.554 -0.321 0.000 2.788 182 T HA 0.253 4.603 4.350 0.001 0.000 0.287 182 T C 0.763 175.301 174.700 -0.269 0.000 1.007 182 T CA -0.338 61.610 62.100 -0.254 0.000 1.005 182 T CB 0.417 69.213 68.868 -0.120 0.000 1.012 182 T HN 0.430 nan 8.240 nan 0.000 0.530 183 F N 0.004 119.934 119.950 -0.034 0.000 2.216 183 F HA 0.073 4.601 4.527 0.001 0.000 0.300 183 F C 2.861 178.825 175.800 0.273 0.000 1.085 183 F CA 1.289 59.367 58.000 0.130 0.000 1.326 183 F CB -0.344 38.599 39.000 -0.095 0.000 1.027 183 F HN 0.561 nan 8.300 nan 0.000 0.497 184 R N 0.904 121.547 120.500 0.238 0.000 2.073 184 R HA -0.122 4.219 4.340 0.001 0.000 0.229 184 R C 1.737 178.134 176.300 0.160 0.000 1.120 184 R CA 1.920 58.135 56.100 0.193 0.000 0.967 184 R CB -0.566 29.762 30.300 0.048 0.000 0.862 184 R HN 0.281 nan 8.270 nan 0.000 0.436 185 N N -0.491 118.213 118.700 0.007 0.000 2.036 185 N HA -0.223 4.517 4.740 0.001 0.000 0.195 185 N C 1.609 177.127 175.510 0.014 0.000 1.037 185 N CA 1.567 54.572 53.050 -0.074 0.000 0.855 185 N CB -0.266 38.064 38.487 -0.262 0.000 1.033 185 N HN 0.325 nan 8.380 nan 0.000 0.423 186 H N -0.782 118.366 119.070 0.130 0.000 2.421 186 H HA -0.118 4.438 4.556 0.001 0.000 0.298 186 H C 1.707 177.127 175.328 0.154 0.000 1.087 186 H CA 1.002 57.129 56.048 0.132 0.000 1.330 186 H CB -0.461 29.396 29.762 0.158 0.000 1.388 186 H HN 0.402 nan 8.280 nan 0.000 0.526 187 Y N 1.103 121.570 120.300 0.280 0.000 2.220 187 Y HA -0.077 4.474 4.550 0.001 0.000 0.291 187 Y C 2.664 178.626 175.900 0.102 0.000 1.129 187 Y CA 1.314 59.511 58.100 0.161 0.000 1.161 187 Y CB -0.268 38.373 38.460 0.303 0.000 0.997 187 Y HN 0.141 nan 8.280 nan 0.000 0.522 188 A N -1.120 121.832 122.820 0.221 0.000 1.902 188 A HA -0.205 4.116 4.320 0.001 0.000 0.217 188 A C 2.467 180.076 177.584 0.041 0.000 1.181 188 A CA 1.916 54.020 52.037 0.112 0.000 0.623 188 A CB -1.374 17.694 19.000 0.113 0.000 0.818 188 A HN 0.479 nan 8.150 nan 0.000 0.443 189 S N -0.551 115.189 115.700 0.066 0.000 2.356 189 S HA -0.069 4.402 4.470 0.001 0.000 0.223 189 S C 2.214 176.851 174.600 0.061 0.000 1.032 189 S CA 1.632 59.877 58.200 0.077 0.000 1.005 189 S CB -0.492 62.772 63.200 0.105 0.000 0.867 189 S HN 0.813 nan 8.310 nan 0.000 0.449 190 A N 1.994 124.821 122.820 0.011 0.000 1.877 190 A HA -0.053 4.267 4.320 0.001 0.000 0.216 190 A C 2.162 179.769 177.584 0.038 0.000 1.186 190 A CA 1.700 53.759 52.037 0.036 0.000 0.620 190 A CB -0.987 17.948 19.000 -0.108 0.000 0.822 190 A HN 0.815 nan 8.150 nan 0.000 0.443 191 I N -2.533 117.928 120.570 -0.182 0.000 2.546 191 I HA 0.055 4.225 4.170 0.001 0.000 0.255 191 I C 2.152 178.213 176.117 -0.093 0.000 1.163 191 I CA 1.290 62.473 61.300 -0.195 0.000 1.457 191 I CB -0.853 36.967 38.000 -0.300 0.000 1.092 191 I HN 0.142 nan 8.210 nan 0.000 0.434 192 G N 0.630 109.413 108.800 -0.028 0.000 2.421 192 G HA2 -0.297 3.664 3.960 0.001 0.000 0.216 192 G HA3 -0.297 3.664 3.960 0.001 0.000 0.216 192 G C 1.794 176.712 174.900 0.030 0.000 1.171 192 G CA 0.935 46.045 45.100 0.018 0.000 0.775 192 G HN 0.570 nan 8.290 nan 0.000 0.543 193 C N 0.299 119.651 119.300 0.087 0.000 2.425 193 C HA 0.093 4.554 4.460 0.001 0.000 0.277 193 C C 2.736 177.740 174.990 0.024 0.000 1.280 193 C CA 1.621 60.739 59.018 0.166 0.000 1.744 193 C CB -0.818 27.138 27.740 0.359 0.000 1.989 193 C HN 0.504 nan 8.230 nan 0.000 0.491 194 K N 0.274 120.520 120.400 -0.256 0.000 2.147 194 K HA -0.176 4.145 4.320 0.001 0.000 0.205 194 K C 2.296 178.674 176.600 -0.370 0.000 1.049 194 K CA 1.559 57.376 56.287 -0.782 0.000 0.936 194 K CB -0.303 31.690 32.500 -0.845 0.000 0.722 194 K HN 0.558 nan 8.250 nan 0.000 0.446 195 E N 0.321 120.408 120.200 -0.187 0.000 2.028 195 E HA -0.123 4.228 4.350 0.001 0.000 0.190 195 E C 1.912 178.478 176.600 -0.056 0.000 0.984 195 E CA 1.698 58.038 56.400 -0.101 0.000 0.800 195 E CB -0.027 29.642 29.700 -0.052 0.000 0.758 195 E HN 0.403 nan 8.360 nan 0.000 0.448 196 S N -0.060 115.628 115.700 -0.021 0.000 2.406 196 S HA -0.063 4.408 4.470 0.001 0.000 0.224 196 S C 1.978 176.596 174.600 0.031 0.000 1.030 196 S CA 0.741 58.957 58.200 0.027 0.000 0.958 196 S CB -0.040 63.193 63.200 0.054 0.000 0.811 196 S HN 0.217 nan 8.310 nan 0.000 0.489 197 L N 1.405 122.609 121.223 -0.031 0.000 2.356 197 L HA 0.570 4.911 4.340 0.001 0.000 0.193 197 L C 0.761 177.513 176.870 -0.198 0.000 1.087 197 L CA 1.711 56.436 54.840 -0.191 0.000 0.817 197 L CB -0.235 41.756 42.059 -0.114 0.000 1.035 197 L HN 0.630 nan 8.230 nan 0.000 0.482 198 G N -0.610 108.116 108.800 -0.124 0.000 3.355 198 G HA2 0.095 4.056 3.960 0.001 0.000 0.686 198 G HA3 0.095 4.056 3.960 0.001 0.000 0.686 198 G C -0.718 174.205 174.900 0.037 0.000 1.097 198 G CA -0.288 44.712 45.100 -0.166 0.000 0.881 198 G HN 0.780 nan 8.290 nan 0.000 0.550 199 F N 0.299 120.254 119.950 0.009 0.000 2.779 199 F HA 0.911 5.439 4.527 0.001 0.000 0.316 199 F C -0.322 175.445 175.800 -0.055 0.000 1.164 199 F CA -0.693 57.243 58.000 -0.107 0.000 0.924 199 F CB 1.304 40.102 39.000 -0.337 0.000 1.348 199 F HN 0.810 nan 8.300 nan 0.000 0.467 200 D N -1.585 118.942 120.400 0.211 0.000 2.838 200 D HA 0.300 4.941 4.640 0.001 0.000 0.334 200 D C 0.026 176.473 176.300 0.244 0.000 1.315 200 D CA -0.995 53.119 54.000 0.191 0.000 0.917 200 D CB 1.153 42.004 40.800 0.084 0.000 1.435 200 D HN 0.562 nan 8.370 nan 0.000 0.517 201 R N -0.889 119.717 120.500 0.176 0.000 2.241 201 R HA -0.015 4.326 4.340 0.001 0.000 0.224 201 R C 0.040 176.476 176.300 0.228 0.000 1.101 201 R CA 1.147 57.336 56.100 0.148 0.000 0.995 201 R CB -0.100 30.229 30.300 0.048 0.000 0.870 201 R HN 0.361 nan 8.270 nan 0.000 0.463 202 D N -0.604 119.909 120.400 0.187 0.000 2.340 202 D HA 0.021 4.661 4.640 0.001 0.000 0.217 202 D C -0.237 176.135 176.300 0.119 0.000 1.081 202 D CA 0.364 54.474 54.000 0.185 0.000 0.842 202 D CB 0.580 41.456 40.800 0.125 0.000 0.934 202 D HN 0.002 nan 8.370 nan 0.000 0.511 203 T N 1.344 115.920 114.554 0.036 0.000 2.884 203 T HA 0.126 4.477 4.350 0.001 0.000 0.298 203 T C 0.253 174.929 174.700 -0.041 0.000 0.998 203 T CA -0.132 61.831 62.100 -0.228 0.000 1.124 203 T CB 0.717 69.031 68.868 -0.923 0.000 0.931 203 T HN -0.092 nan 8.240 nan 0.000 0.531 204 N N 2.463 121.155 118.700 -0.015 0.000 2.569 204 N HA 0.166 4.907 4.740 0.001 0.000 0.254 204 N C -1.607 173.971 175.510 0.115 0.000 1.004 204 N CA -0.668 52.450 53.050 0.114 0.000 0.904 204 N CB 0.569 39.119 38.487 0.105 0.000 1.165 204 N HN 0.570 nan 8.380 nan 0.000 0.513 205 W N 6.017 127.316 121.300 -0.002 0.000 2.316 205 W HA 0.372 5.032 4.660 0.001 0.000 0.308 205 W C -0.762 175.796 176.519 0.065 0.000 1.106 205 W CA -0.976 56.374 57.345 0.008 0.000 1.262 205 W CB 0.410 29.857 29.460 -0.021 0.000 1.233 205 W HN 0.387 nan 8.180 nan 0.000 0.447 206 L N 5.765 127.221 121.223 0.387 0.000 2.361 206 L HA 0.153 4.494 4.340 0.001 0.000 0.278 206 L C 0.269 177.352 176.870 0.356 0.000 1.113 206 L CA 0.542 55.553 54.840 0.286 0.000 0.849 206 L CB 0.783 42.945 42.059 0.171 0.000 1.155 206 L HN 0.279 nan 8.230 nan 0.000 0.452 207 S N 3.687 119.515 115.700 0.213 0.000 2.594 207 S HA 0.305 4.776 4.470 0.001 0.000 0.322 207 S C 0.222 174.875 174.600 0.088 0.000 1.085 207 S CA -0.579 57.698 58.200 0.129 0.000 1.116 207 S CB 1.606 64.817 63.200 0.018 0.000 0.979 207 S HN 0.611 nan 8.310 nan 0.000 0.465 208 V N 6.333 126.314 119.914 0.111 0.000 3.572 208 V HA 0.465 4.586 4.120 0.001 0.000 0.260 208 V C 0.307 176.443 176.094 0.070 0.000 1.324 208 V CA 0.199 62.565 62.300 0.109 0.000 1.068 208 V CB 0.011 31.952 31.823 0.197 0.000 0.837 208 V HN 0.749 nan 8.190 nan 0.000 0.450 209 L N 2.305 123.555 121.223 0.044 0.000 2.467 209 L HA 0.270 4.610 4.340 0.001 0.000 0.270 209 L C -1.976 174.832 176.870 -0.104 0.000 1.205 209 L CA -1.449 53.384 54.840 -0.012 0.000 0.828 209 L CB -0.201 41.855 42.059 -0.006 0.000 1.101 209 L HN 0.123 nan 8.230 nan 0.000 0.479 210 P HA -0.068 nan 4.420 nan 0.000 0.261 210 P C 0.803 177.835 177.300 -0.447 0.000 1.173 210 P CA 0.442 63.239 63.100 -0.505 0.000 0.760 210 P CB 0.464 31.549 31.700 -1.024 0.000 0.783 211 I N 3.595 123.956 120.570 -0.348 0.000 2.454 211 I HA -0.272 3.899 4.170 0.001 0.000 0.254 211 I C 1.415 177.437 176.117 -0.158 0.000 1.156 211 I CA 1.305 62.485 61.300 -0.200 0.000 1.433 211 I CB -0.002 37.921 38.000 -0.128 0.000 1.082 211 I HN 0.428 nan 8.210 nan 0.000 0.432 212 Y N -1.849 118.386 120.300 -0.109 0.000 2.523 212 Y HA 0.206 4.757 4.550 0.001 0.000 0.279 212 Y C 0.946 176.757 175.900 -0.148 0.000 1.139 212 Y CA -0.396 57.616 58.100 -0.148 0.000 1.296 212 Y CB -0.968 37.358 38.460 -0.223 0.000 1.045 212 Y HN 0.134 nan 8.280 nan 0.000 0.538 213 H N -0.339 118.672 119.070 -0.099 0.000 2.544 213 H HA 0.233 4.790 4.556 0.001 0.000 0.342 213 H C 0.506 175.821 175.328 -0.022 0.000 1.185 213 H CA -0.645 55.406 56.048 0.004 0.000 1.264 213 H CB 2.000 31.739 29.762 -0.039 0.000 1.607 213 H HN 0.075 nan 8.280 nan 0.000 0.550 214 I N 0.475 121.150 120.570 0.176 0.000 2.493 214 I HA -0.200 3.971 4.170 0.001 0.000 0.254 214 I C 1.735 177.865 176.117 0.021 0.000 1.160 214 I CA 1.342 62.696 61.300 0.090 0.000 1.445 214 I CB -0.216 37.841 38.000 0.096 0.000 1.086 214 I HN 0.463 nan 8.210 nan 0.000 0.433 215 S N 0.233 115.937 115.700 0.007 0.000 2.402 215 S HA -0.047 4.424 4.470 0.001 0.000 0.229 215 S C 1.965 176.523 174.600 -0.069 0.000 1.021 215 S CA 1.067 59.252 58.200 -0.025 0.000 0.974 215 S CB -0.704 62.488 63.200 -0.012 0.000 0.800 215 S HN 0.675 nan 8.310 nan 0.000 0.484 216 G N 1.377 110.134 108.800 -0.072 0.000 2.404 216 G HA2 -0.070 3.891 3.960 0.001 0.000 0.213 216 G HA3 -0.070 3.891 3.960 0.001 0.000 0.213 216 G C 1.332 176.153 174.900 -0.131 0.000 1.189 216 G CA 0.403 45.435 45.100 -0.112 0.000 0.796 216 G HN 0.407 nan 8.290 nan 0.000 0.532 217 L N 2.088 123.258 121.223 -0.089 0.000 2.131 217 L HA -0.061 4.280 4.340 0.001 0.000 0.210 217 L C 3.016 179.811 176.870 -0.125 0.000 1.092 217 L CA 2.406 57.198 54.840 -0.080 0.000 0.759 217 L CB -0.441 41.608 42.059 -0.017 0.000 0.903 217 L HN 0.331 nan 8.230 nan 0.000 0.435 218 S N -2.470 113.147 115.700 -0.138 0.000 2.447 218 S HA -0.097 4.374 4.470 0.001 0.000 0.233 218 S C 1.886 176.294 174.600 -0.320 0.000 1.006 218 S CA 0.978 59.071 58.200 -0.178 0.000 0.957 218 S CB -0.919 62.218 63.200 -0.104 0.000 0.773 218 S HN 0.253 nan 8.310 nan 0.000 0.507 219 V N 2.258 121.922 119.914 -0.417 0.000 2.358 219 V HA -0.086 4.034 4.120 0.001 0.000 0.246 219 V C 2.461 178.308 176.094 -0.412 0.000 1.047 219 V CA 1.566 63.471 62.300 -0.658 0.000 1.035 219 V CB -0.834 30.533 31.823 -0.761 0.000 0.658 219 V HN 0.471 nan 8.190 nan 0.000 0.452 220 L N -0.826 120.249 121.223 -0.247 0.000 2.083 220 L HA -0.172 4.168 4.340 0.001 0.000 0.209 220 L C 2.388 179.211 176.870 -0.079 0.000 1.083 220 L CA 1.400 56.169 54.840 -0.119 0.000 0.752 220 L CB -0.585 41.440 42.059 -0.058 0.000 0.899 220 L HN 0.290 nan 8.230 nan 0.000 0.433 221 L N -0.606 120.547 121.223 -0.116 0.000 2.027 221 L HA -0.152 4.189 4.340 0.001 0.000 0.206 221 L C 2.825 179.522 176.870 -0.289 0.000 1.074 221 L CA 1.228 55.991 54.840 -0.128 0.000 0.745 221 L CB -0.403 41.549 42.059 -0.178 0.000 0.898 221 L HN 0.107 nan 8.230 nan 0.000 0.433 222 R N -0.169 120.120 120.500 -0.352 0.000 2.105 222 R HA -0.176 4.165 4.340 0.001 0.000 0.239 222 R C 2.382 178.244 176.300 -0.730 0.000 1.135 222 R CA 1.353 57.196 56.100 -0.429 0.000 0.967 222 R CB -0.558 29.428 30.300 -0.524 0.000 0.861 222 R HN 0.394 nan 8.270 nan 0.000 0.442 223 A N 0.238 122.456 122.820 -1.004 0.000 1.858 223 A HA -0.122 4.199 4.320 0.001 0.000 0.216 223 A C 2.266 179.460 177.584 -0.651 0.000 1.190 223 A CA 1.464 52.621 52.037 -1.466 0.000 0.617 223 A CB -0.686 17.816 19.000 -0.831 0.000 0.827 223 A HN 0.205 nan 8.150 nan 0.000 0.443 224 V N -0.166 119.587 119.914 -0.269 0.000 2.667 224 V HA -0.115 4.006 4.120 0.001 0.000 0.252 224 V C 2.180 178.110 176.094 -0.272 0.000 1.065 224 V CA 1.566 63.813 62.300 -0.089 0.000 1.083 224 V CB -0.381 31.626 31.823 0.305 0.000 0.692 224 V HN 0.555 nan 8.190 nan 0.000 0.468 225 I N -0.277 120.038 120.570 -0.424 0.000 2.277 225 I HA -0.117 4.054 4.170 0.001 0.000 0.243 225 I C 2.450 178.394 176.117 -0.288 0.000 1.094 225 I CA 1.564 62.549 61.300 -0.525 0.000 1.393 225 I CB -0.155 37.452 38.000 -0.656 0.000 1.078 225 I HN 0.302 nan 8.210 nan 0.000 0.417 226 E N 0.867 120.936 120.200 -0.218 0.000 2.122 226 E HA 0.013 4.364 4.350 0.001 0.000 0.190 226 E C 1.246 177.764 176.600 -0.136 0.000 0.977 226 E CA 1.102 57.486 56.400 -0.028 0.000 0.820 226 E CB 0.162 30.077 29.700 0.358 0.000 0.770 226 E HN 0.377 nan 8.360 nan 0.000 0.462 227 G N -0.152 108.456 108.800 -0.319 0.000 2.173 227 G HA2 -0.191 3.770 3.960 0.001 0.000 0.174 227 G HA3 -0.191 3.770 3.960 0.001 0.000 0.174 227 G C 0.062 174.821 174.900 -0.235 0.000 1.025 227 G CA 0.016 44.857 45.100 -0.431 0.000 0.706 227 G HN 0.306 nan 8.290 nan 0.000 0.499 228 F N -0.027 119.911 119.950 -0.021 0.000 2.452 228 F HA 0.909 5.436 4.527 0.001 0.000 0.353 228 F C 0.445 176.389 175.800 0.240 0.000 1.089 228 F CA -0.783 57.267 58.000 0.083 0.000 1.080 228 F CB 0.614 39.652 39.000 0.063 0.000 1.399 228 F HN 0.025 nan 8.300 nan 0.000 0.492 229 T N 1.362 116.299 114.554 0.637 0.000 2.829 229 T HA 0.546 4.897 4.350 0.001 0.000 0.282 229 T C -0.585 174.369 174.700 0.424 0.000 0.990 229 T CA -0.587 61.751 62.100 0.396 0.000 1.028 229 T CB 1.544 70.590 68.868 0.297 0.000 0.951 229 T HN 0.505 nan 8.240 nan 0.000 0.460 230 V N 3.514 123.567 119.914 0.231 0.000 2.394 230 V HA 0.519 4.640 4.120 0.001 0.000 0.282 230 V C 0.220 176.397 176.094 0.138 0.000 1.031 230 V CA -0.909 61.513 62.300 0.202 0.000 0.881 230 V CB 1.300 33.171 31.823 0.080 0.000 0.982 230 V HN 0.659 nan 8.190 nan 0.000 0.451 231 R N 4.695 125.289 120.500 0.157 0.000 2.215 231 R HA 0.452 4.792 4.340 0.001 0.000 0.337 231 R C -1.023 175.327 176.300 0.084 0.000 1.010 231 R CA -0.504 55.658 56.100 0.104 0.000 0.871 231 R CB 0.376 30.738 30.300 0.103 0.000 1.134 231 R HN 0.631 nan 8.270 nan 0.000 0.477 232 I N 5.346 125.944 120.570 0.046 0.000 2.371 232 I HA 0.297 4.468 4.170 0.001 0.000 0.290 232 I C -0.802 175.328 176.117 0.021 0.000 1.028 232 I CA -0.323 60.992 61.300 0.024 0.000 1.345 232 I CB 1.336 39.330 38.000 -0.009 0.000 1.407 232 I HN 0.475 nan 8.210 nan 0.000 0.501 233 V N 6.948 126.879 119.914 0.027 0.000 2.604 233 V HA 0.454 4.574 4.120 0.001 0.000 0.305 233 V C 0.631 176.736 176.094 0.018 0.000 1.043 233 V CA -0.488 61.825 62.300 0.021 0.000 0.888 233 V CB 1.776 33.613 31.823 0.023 0.000 0.995 233 V HN 0.849 nan 8.190 nan 0.000 0.429 234 D N 3.852 124.258 120.400 0.009 0.000 2.103 234 D HA -0.084 4.557 4.640 0.001 0.000 0.190 234 D C 0.703 177.020 176.300 0.028 0.000 0.997 234 D CA 2.246 56.252 54.000 0.010 0.000 0.833 234 D CB 0.265 41.068 40.800 0.005 0.000 0.961 234 D HN 0.860 nan 8.370 nan 0.000 0.447 235 K N -1.991 118.434 120.400 0.042 0.000 2.555 235 K HA 0.182 4.502 4.320 0.001 0.000 0.279 235 K C -1.146 175.524 176.600 0.115 0.000 0.986 235 K CA -0.885 55.453 56.287 0.086 0.000 0.880 235 K CB 0.539 33.083 32.500 0.074 0.000 1.474 235 K HN -0.067 nan 8.250 nan 0.000 0.433 236 F N 2.595 122.578 119.950 0.056 0.000 2.471 236 F HA 0.254 4.781 4.527 0.001 0.000 0.365 236 F C -0.276 175.562 175.800 0.063 0.000 1.095 236 F CA 0.123 58.170 58.000 0.078 0.000 1.174 236 F CB 0.534 39.611 39.000 0.128 0.000 1.105 236 F HN 0.597 nan 8.300 nan 0.000 0.535 237 N N 4.982 123.317 118.700 -0.610 0.000 2.461 237 N HA 0.307 5.048 4.740 0.001 0.000 0.284 237 N C 0.213 175.250 175.510 -0.789 0.000 1.049 237 N CA 0.122 52.873 53.050 -0.497 0.000 0.889 237 N CB 1.899 40.246 38.487 -0.233 0.000 1.365 237 N HN 0.738 nan 8.380 nan 0.000 0.499 238 A N 3.224 125.629 122.820 -0.691 0.000 1.933 238 A HA -0.172 4.149 4.320 0.001 0.000 0.218 238 A C 1.807 179.260 177.584 -0.218 0.000 1.175 238 A CA 1.829 53.617 52.037 -0.414 0.000 0.628 238 A CB -0.375 18.669 19.000 0.074 0.000 0.814 238 A HN 0.853 nan 8.150 nan 0.000 0.444 239 E N -0.253 119.842 120.200 -0.176 0.000 2.028 239 E HA -0.229 4.121 4.350 0.001 0.000 0.191 239 E C 2.139 178.660 176.600 -0.131 0.000 0.988 239 E CA 1.285 57.612 56.400 -0.122 0.000 0.799 239 E CB -0.279 29.363 29.700 -0.095 0.000 0.755 239 E HN 0.718 nan 8.360 nan 0.000 0.447 240 Q N 0.147 119.856 119.800 -0.150 0.000 2.135 240 Q HA -0.177 4.164 4.340 0.001 0.000 0.204 240 Q C 2.388 178.309 176.000 -0.131 0.000 0.981 240 Q CA 1.634 57.359 55.803 -0.129 0.000 0.856 240 Q CB -0.153 28.511 28.738 -0.124 0.000 0.902 240 Q HN 0.453 nan 8.270 nan 0.000 0.425 241 I N 0.505 120.967 120.570 -0.179 0.000 2.252 241 I HA -0.262 3.909 4.170 0.001 0.000 0.245 241 I C 2.326 178.389 176.117 -0.091 0.000 1.102 241 I CA 0.744 61.963 61.300 -0.135 0.000 1.385 241 I CB -0.189 37.701 38.000 -0.184 0.000 1.064 241 I HN 0.257 nan 8.210 nan 0.000 0.414 242 L N 0.394 121.558 121.223 -0.098 0.000 2.046 242 L HA -0.238 4.103 4.340 0.001 0.000 0.208 242 L C 2.572 179.357 176.870 -0.141 0.000 1.077 242 L CA 1.870 56.654 54.840 -0.092 0.000 0.747 242 L CB -0.510 41.502 42.059 -0.079 0.000 0.896 242 L HN 0.298 nan 8.230 nan 0.000 0.432 243 T N -0.066 114.412 114.554 -0.127 0.000 2.720 243 T HA -0.260 4.091 4.350 0.001 0.000 0.268 243 T C 1.866 176.490 174.700 -0.127 0.000 1.037 243 T CA 1.766 63.789 62.100 -0.129 0.000 1.144 243 T CB -0.182 68.627 68.868 -0.098 0.000 0.864 243 T HN 0.298 nan 8.240 nan 0.000 0.444 244 M N 0.196 119.737 119.600 -0.098 0.000 2.117 244 M HA -0.003 4.478 4.480 0.001 0.000 0.262 244 M C 2.235 178.485 176.300 -0.084 0.000 1.065 244 M CA 1.641 56.898 55.300 -0.072 0.000 1.114 244 M CB -0.570 32.005 32.600 -0.042 0.000 1.361 244 M HN 0.205 nan 8.290 nan 0.000 0.408 245 I N 0.040 120.549 120.570 -0.102 0.000 2.226 245 I HA -0.293 3.878 4.170 0.001 0.000 0.245 245 I C 2.320 178.289 176.117 -0.247 0.000 1.100 245 I CA 1.364 62.599 61.300 -0.109 0.000 1.374 245 I CB -0.402 37.563 38.000 -0.059 0.000 1.057 245 I HN 0.274 nan 8.210 nan 0.000 0.413 246 K N 0.446 120.597 120.400 -0.415 0.000 2.097 246 K HA -0.138 4.183 4.320 0.001 0.000 0.206 246 K C 1.654 178.096 176.600 -0.263 0.000 1.049 246 K CA 1.411 57.373 56.287 -0.542 0.000 0.933 246 K CB -0.127 32.043 32.500 -0.549 0.000 0.717 246 K HN 0.302 nan 8.250 nan 0.000 0.442 247 N N 0.435 119.034 118.700 -0.168 0.000 2.499 247 N HA -0.028 4.713 4.740 0.001 0.000 0.182 247 N C 0.702 176.176 175.510 -0.060 0.000 1.034 247 N CA 0.751 53.743 53.050 -0.097 0.000 0.882 247 N CB 0.375 38.813 38.487 -0.080 0.000 1.125 247 N HN 0.199 nan 8.380 nan 0.000 0.436 248 E N 0.988 121.158 120.200 -0.050 0.000 2.444 248 E HA 0.199 4.550 4.350 0.001 0.000 0.191 248 E C -0.568 176.029 176.600 -0.005 0.000 1.041 248 E CA -0.181 56.206 56.400 -0.021 0.000 0.883 248 E CB 0.236 29.930 29.700 -0.011 0.000 1.024 248 E HN 0.161 nan 8.360 nan 0.000 0.470 249 R N 1.357 121.851 120.500 -0.010 0.000 3.146 249 R HA -0.155 4.186 4.340 0.001 0.000 0.250 249 R C -0.375 175.940 176.300 0.024 0.000 0.912 249 R CA 0.317 56.424 56.100 0.011 0.000 0.633 249 R CB -1.626 28.685 30.300 0.017 0.000 1.180 249 R HN 0.215 nan 8.270 nan 0.000 0.464 250 I N 1.169 121.751 120.570 0.020 0.000 2.441 250 I HA 0.012 4.182 4.170 0.001 0.000 0.287 250 I C 2.149 178.278 176.117 0.020 0.000 1.049 250 I CA 0.568 61.885 61.300 0.028 0.000 1.381 250 I CB 1.193 39.208 38.000 0.024 0.000 1.409 250 I HN 0.391 nan 8.210 nan 0.000 0.523 251 T N 2.235 116.806 114.554 0.028 0.000 3.034 251 T HA 0.124 4.474 4.350 0.001 0.000 0.248 251 T C 0.499 175.139 174.700 -0.100 0.000 1.040 251 T CA 0.420 62.535 62.100 0.025 0.000 1.107 251 T CB 0.072 69.017 68.868 0.130 0.000 0.932 251 T HN 0.541 nan 8.240 nan 0.000 0.474 252 H N -0.267 118.571 119.070 -0.386 0.000 2.690 252 H HA 0.808 5.364 4.556 0.001 0.000 0.368 252 H C -1.261 173.707 175.328 -0.601 0.000 1.150 252 H CA -1.207 54.391 56.048 -0.750 0.000 1.174 252 H CB 2.013 30.830 29.762 -1.575 0.000 1.684 252 H HN 0.289 nan 8.280 nan 0.000 0.538 253 I N 0.649 120.995 120.570 -0.372 0.000 2.827 253 I HA 0.405 4.576 4.170 0.001 0.000 0.298 253 I C -1.002 175.196 176.117 0.134 0.000 1.235 253 I CA -0.362 60.928 61.300 -0.017 0.000 1.021 253 I CB 1.705 39.734 38.000 0.048 0.000 1.259 253 I HN 0.487 nan 8.210 nan 0.000 0.427 254 S N 6.975 122.898 115.700 0.371 0.000 2.456 254 S HA 0.710 5.181 4.470 0.001 0.000 0.316 254 S C -0.620 174.085 174.600 0.175 0.000 1.089 254 S CA -0.507 57.877 58.200 0.306 0.000 1.101 254 S CB 0.996 64.418 63.200 0.370 0.000 0.995 254 S HN 0.356 nan 8.310 nan 0.000 0.468 255 L N 2.204 123.490 121.223 0.105 0.000 2.277 255 L HA 0.716 5.056 4.340 0.001 0.000 0.254 255 L C -0.271 176.590 176.870 -0.015 0.000 1.044 255 L CA -1.355 53.510 54.840 0.041 0.000 0.842 255 L CB 1.539 43.619 42.059 0.035 0.000 1.422 255 L HN 0.442 nan 8.230 nan 0.000 0.422 256 V N -2.519 117.340 119.914 -0.091 0.000 2.837 256 V HA 0.412 4.533 4.120 0.001 0.000 0.310 256 V C -2.144 173.855 176.094 -0.159 0.000 1.059 256 V CA -1.463 60.765 62.300 -0.119 0.000 1.004 256 V CB 0.986 32.721 31.823 -0.146 0.000 1.045 256 V HN 0.551 nan 8.190 nan 0.000 0.465 257 P HA -0.225 nan 4.420 nan 0.000 0.216 257 P C 1.743 178.883 177.300 -0.266 0.000 1.154 257 P CA 2.009 65.018 63.100 -0.152 0.000 0.865 257 P CB 0.120 31.747 31.700 -0.121 0.000 0.789 258 Q N -0.490 119.076 119.800 -0.390 0.000 2.061 258 Q HA -0.182 4.159 4.340 0.001 0.000 0.204 258 Q C 1.909 177.300 176.000 -1.014 0.000 0.984 258 Q CA 2.796 58.168 55.803 -0.719 0.000 0.846 258 Q CB -0.593 27.707 28.738 -0.730 0.000 0.902 258 Q HN 0.315 nan 8.270 nan 0.000 0.421 259 T N -1.084 113.030 114.554 -0.733 0.000 3.023 259 T HA -0.091 4.259 4.350 0.001 0.000 0.266 259 T C 1.744 176.345 174.700 -0.165 0.000 1.093 259 T CA 0.782 62.511 62.100 -0.618 0.000 1.129 259 T CB -0.202 68.137 68.868 -0.882 0.000 0.899 259 T HN 0.272 nan 8.240 nan 0.000 0.491 260 L N 2.458 123.600 121.223 -0.135 0.000 2.017 260 L HA 0.048 4.389 4.340 0.001 0.000 0.208 260 L C 2.267 179.155 176.870 0.031 0.000 1.073 260 L CA 2.045 56.884 54.840 -0.002 0.000 0.745 260 L CB -1.247 40.806 42.059 -0.011 0.000 0.894 260 L HN 0.262 nan 8.230 nan 0.000 0.432 261 N N -0.847 117.811 118.700 -0.069 0.000 2.061 261 N HA -0.273 4.467 4.740 0.001 0.000 0.193 261 N C 1.667 177.273 175.510 0.161 0.000 1.030 261 N CA 2.075 55.117 53.050 -0.012 0.000 0.856 261 N CB -0.428 37.972 38.487 -0.145 0.000 1.023 261 N HN 0.481 nan 8.380 nan 0.000 0.424 262 W N 0.705 122.054 121.300 0.082 0.000 2.402 262 W HA 0.071 4.733 4.660 0.002 0.000 0.286 262 W C 2.097 178.710 176.519 0.157 0.000 1.221 262 W CA 0.123 57.547 57.345 0.132 0.000 1.257 262 W CB -1.027 28.545 29.460 0.186 0.000 1.120 262 W HN 0.175 nan 8.180 nan 0.000 0.551 263 L N -0.533 120.927 121.223 0.394 0.000 2.056 263 L HA -0.220 4.121 4.340 0.001 0.000 0.207 263 L C 2.526 179.456 176.870 0.101 0.000 1.078 263 L CA 1.131 56.119 54.840 0.246 0.000 0.749 263 L CB -0.587 41.613 42.059 0.236 0.000 0.901 263 L HN -0.128 nan 8.230 nan 0.000 0.433 264 M N -1.061 118.601 119.600 0.103 0.000 2.080 264 M HA -0.289 4.192 4.480 0.001 0.000 0.260 264 M C 2.259 178.554 176.300 -0.008 0.000 1.068 264 M CA 1.847 57.164 55.300 0.028 0.000 1.109 264 M CB -0.497 32.209 32.600 0.176 0.000 1.342 264 M HN 0.288 nan 8.290 nan 0.000 0.405 265 Q N -0.231 119.653 119.800 0.140 0.000 2.170 265 Q HA -0.171 4.170 4.340 0.001 0.000 0.203 265 Q C 2.068 178.110 176.000 0.069 0.000 0.976 265 Q CA 0.987 56.884 55.803 0.157 0.000 0.858 265 Q CB -0.080 28.783 28.738 0.208 0.000 0.907 265 Q HN 0.519 nan 8.270 nan 0.000 0.433 266 Q N -1.238 118.585 119.800 0.039 0.000 2.297 266 Q HA -0.037 4.304 4.340 0.001 0.000 0.204 266 Q C 1.021 176.966 176.000 -0.092 0.000 0.962 266 Q CA 1.317 57.115 55.803 -0.009 0.000 0.879 266 Q CB 0.834 29.579 28.738 0.012 0.000 0.947 266 Q HN 0.559 nan 8.270 nan 0.000 0.462 267 G N 0.378 109.027 108.800 -0.253 0.000 2.456 267 G HA2 -0.153 3.807 3.960 0.001 0.000 0.208 267 G HA3 -0.153 3.807 3.960 0.001 0.000 0.208 267 G C -0.462 174.160 174.900 -0.462 0.000 1.004 267 G CA -0.415 44.438 45.100 -0.412 0.000 0.791 267 G HN 0.206 nan 8.290 nan 0.000 0.537 268 L N 1.798 122.780 121.223 -0.401 0.000 2.395 268 L HA 0.576 4.917 4.340 0.001 0.000 0.268 268 L C 0.715 177.354 176.870 -0.385 0.000 1.223 268 L CA -0.105 54.612 54.840 -0.205 0.000 1.093 268 L CB -0.859 41.186 42.059 -0.023 0.000 1.349 268 L HN 0.325 nan 8.230 nan 0.000 0.427 269 H N 1.849 120.740 119.070 -0.298 0.000 2.512 269 H HA 0.413 4.970 4.556 0.001 0.000 0.276 269 H C -0.314 174.808 175.328 -0.344 0.000 1.126 269 H CA -0.243 55.387 56.048 -0.697 0.000 1.060 269 H CB 0.581 29.799 29.762 -0.907 0.000 1.646 269 H HN 0.502 nan 8.280 nan 0.000 0.571 270 E N 1.022 121.105 120.200 -0.196 0.000 2.378 270 E HA 0.086 4.437 4.350 0.001 0.000 0.283 270 E C -2.296 174.095 176.600 -0.347 0.000 0.979 270 E CA -1.879 54.329 56.400 -0.320 0.000 0.795 270 E CB 2.082 31.402 29.700 -0.633 0.000 1.221 270 E HN -0.023 nan 8.360 nan 0.000 0.428 271 P HA -0.108 nan 4.420 nan 0.000 0.221 271 P C 0.131 177.430 177.300 -0.003 0.000 1.150 271 P CA 0.976 64.029 63.100 -0.079 0.000 0.800 271 P CB 0.275 31.948 31.700 -0.045 0.000 0.787 272 Y N -0.750 119.546 120.300 -0.006 0.000 2.864 272 Y HA -0.317 4.234 4.550 0.001 0.000 0.468 272 Y C 1.792 177.685 175.900 -0.012 0.000 1.175 272 Y CA 1.652 59.746 58.100 -0.010 0.000 2.601 272 Y CB -2.361 36.090 38.460 -0.015 0.000 1.207 272 Y HN -0.012 nan 8.280 nan 0.000 0.627 273 N N 1.231 120.048 118.700 0.194 0.000 2.383 273 N HA 0.132 4.873 4.740 0.001 0.000 0.192 273 N C -0.399 175.134 175.510 0.039 0.000 1.141 273 N CA 0.306 53.407 53.050 0.085 0.000 0.851 273 N CB -0.145 38.382 38.487 0.066 0.000 0.976 273 N HN 0.250 nan 8.380 nan 0.000 0.465 274 L N 1.187 122.433 121.223 0.038 0.000 2.462 274 L HA 0.023 4.364 4.340 0.001 0.000 0.272 274 L C 1.603 178.422 176.870 -0.085 0.000 1.166 274 L CA 0.137 54.957 54.840 -0.034 0.000 0.880 274 L CB 0.794 42.842 42.059 -0.018 0.000 1.142 274 L HN -0.037 nan 8.230 nan 0.000 0.473 275 Q N 2.180 121.866 119.800 -0.191 0.000 2.324 275 Q HA 0.168 4.509 4.340 0.001 0.000 0.207 275 Q C -0.398 175.409 176.000 -0.322 0.000 0.928 275 Q CA 0.707 56.368 55.803 -0.237 0.000 0.890 275 Q CB 0.652 29.233 28.738 -0.262 0.000 1.001 275 Q HN 0.413 nan 8.270 nan 0.000 0.517 276 K N 0.675 120.751 120.400 -0.540 0.000 2.535 276 K HA 0.421 4.742 4.320 0.001 0.000 0.251 276 K C -1.297 175.081 176.600 -0.370 0.000 0.942 276 K CA -0.261 55.718 56.287 -0.513 0.000 0.798 276 K CB 2.282 34.219 32.500 -0.938 0.000 1.267 276 K HN -0.006 nan 8.250 nan 0.000 0.434 277 I N 3.356 123.861 120.570 -0.108 0.000 2.405 277 I HA 0.171 4.341 4.170 0.001 0.000 0.280 277 I C -0.401 175.739 176.117 0.039 0.000 1.027 277 I CA -1.019 60.258 61.300 -0.038 0.000 1.161 277 I CB 1.101 39.118 38.000 0.028 0.000 1.300 277 I HN 0.282 nan 8.210 nan 0.000 0.463 278 L N 8.304 129.536 121.223 0.015 0.000 2.283 278 L HA 0.440 4.781 4.340 0.001 0.000 0.287 278 L C -0.556 176.379 176.870 0.108 0.000 1.073 278 L CA 0.283 55.180 54.840 0.096 0.000 0.822 278 L CB 0.240 42.400 42.059 0.168 0.000 1.186 278 L HN 0.430 nan 8.230 nan 0.000 0.436 279 L N 4.829 126.108 121.223 0.093 0.000 2.375 279 L HA 0.959 5.300 4.340 0.001 0.000 0.268 279 L C 0.578 177.475 176.870 0.044 0.000 1.058 279 L CA -0.457 54.414 54.840 0.053 0.000 0.803 279 L CB 1.607 43.683 42.059 0.028 0.000 1.212 279 L HN 0.761 nan 8.230 nan 0.000 0.451 280 G N -1.316 107.494 108.800 0.016 0.000 2.466 280 G HA2 0.466 4.427 3.960 0.001 0.000 0.291 280 G HA3 0.466 4.427 3.960 0.001 0.000 0.291 280 G C 0.009 174.900 174.900 -0.014 0.000 1.460 280 G CA 0.167 45.271 45.100 0.007 0.000 0.791 280 G HN 0.885 nan 8.290 nan 0.000 0.505 281 G N -1.629 107.166 108.800 -0.009 0.000 2.195 281 G HA2 0.398 4.358 3.960 0.001 0.000 0.246 281 G HA3 0.398 4.358 3.960 0.001 0.000 0.246 281 G C 0.540 175.434 174.900 -0.010 0.000 0.984 281 G CA 1.306 46.393 45.100 -0.022 0.000 0.633 281 G HN 2.520 nan 8.290 nan 0.000 0.525 282 A N -0.963 121.852 122.820 -0.009 0.000 2.601 282 A HA 0.747 5.068 4.320 0.001 0.000 0.291 282 A C -0.195 177.374 177.584 -0.026 0.000 1.075 282 A CA 0.318 52.341 52.037 -0.023 0.000 0.671 282 A CB 0.841 19.807 19.000 -0.057 0.000 1.277 282 A HN 0.775 nan 8.150 nan 0.000 0.417 283 K N 0.622 121.001 120.400 -0.034 0.000 2.448 283 K HA 0.339 4.660 4.320 0.001 0.000 0.278 283 K C -1.143 175.427 176.600 -0.050 0.000 1.009 283 K CA 0.093 56.355 56.287 -0.042 0.000 0.995 283 K CB 0.227 32.702 32.500 -0.041 0.000 0.917 283 K HN 0.577 nan 8.250 nan 0.000 0.481 284 L N 4.372 125.565 121.223 -0.049 0.000 2.294 284 L HA 0.189 4.530 4.340 0.001 0.000 0.283 284 L C -0.166 176.677 176.870 -0.045 0.000 1.015 284 L CA -0.465 54.346 54.840 -0.048 0.000 0.831 284 L CB 1.578 43.611 42.059 -0.044 0.000 1.217 284 L HN 0.820 nan 8.230 nan 0.000 0.420 285 S N 2.887 118.563 115.700 -0.041 0.000 2.592 285 S HA 0.320 4.791 4.470 0.001 0.000 0.271 285 S C 1.162 175.741 174.600 -0.035 0.000 1.326 285 S CA -0.026 58.153 58.200 -0.035 0.000 1.024 285 S CB 1.848 65.031 63.200 -0.029 0.000 0.921 285 S HN 0.717 nan 8.310 nan 0.000 0.527 286 A N 2.578 125.376 122.820 -0.036 0.000 1.933 286 A HA -0.020 4.301 4.320 0.001 0.000 0.218 286 A C 2.186 179.746 177.584 -0.041 0.000 1.175 286 A CA 2.004 54.015 52.037 -0.043 0.000 0.628 286 A CB -1.784 17.188 19.000 -0.046 0.000 0.814 286 A HN 0.928 nan 8.150 nan 0.000 0.444 287 T N -0.531 114.004 114.554 -0.032 0.000 2.821 287 T HA -0.127 4.223 4.350 0.001 0.000 0.267 287 T C 1.918 176.605 174.700 -0.021 0.000 1.046 287 T CA 1.506 63.590 62.100 -0.027 0.000 1.139 287 T CB -0.251 68.607 68.868 -0.016 0.000 0.871 287 T HN 0.462 nan 8.240 nan 0.000 0.454 288 M N 0.351 119.942 119.600 -0.015 0.000 2.175 288 M HA 0.023 4.504 4.480 0.001 0.000 0.264 288 M C 1.975 178.271 176.300 -0.006 0.000 1.063 288 M CA 1.433 56.731 55.300 -0.004 0.000 1.119 288 M CB -0.270 32.323 32.600 -0.012 0.000 1.377 288 M HN 0.225 nan 8.290 nan 0.000 0.415 289 I N -0.154 120.403 120.570 -0.021 0.000 2.179 289 I HA -0.280 3.890 4.170 0.001 0.000 0.242 289 I C 2.310 178.413 176.117 -0.023 0.000 1.088 289 I CA 1.071 62.357 61.300 -0.022 0.000 1.357 289 I CB -0.565 37.416 38.000 -0.033 0.000 1.051 289 I HN 0.231 nan 8.210 nan 0.000 0.409 290 E N 0.606 120.784 120.200 -0.036 0.000 2.110 290 E HA -0.165 4.186 4.350 0.001 0.000 0.193 290 E C 2.274 178.820 176.600 -0.090 0.000 0.988 290 E CA 1.726 58.097 56.400 -0.048 0.000 0.804 290 E CB -0.492 29.173 29.700 -0.058 0.000 0.745 290 E HN 0.471 nan 8.360 nan 0.000 0.458 291 T N 1.003 115.504 114.554 -0.088 0.000 2.746 291 T HA -0.099 4.252 4.350 0.001 0.000 0.267 291 T C 1.937 176.559 174.700 -0.130 0.000 1.039 291 T CA 1.508 63.517 62.100 -0.151 0.000 1.142 291 T CB -0.184 68.671 68.868 -0.021 0.000 0.866 291 T HN 0.262 nan 8.240 nan 0.000 0.444 292 A N 1.191 124.018 122.820 0.012 0.000 1.929 292 A HA 0.119 4.440 4.320 0.001 0.000 0.216 292 A C 2.320 179.927 177.584 0.038 0.000 1.176 292 A CA 0.901 52.992 52.037 0.091 0.000 0.628 292 A CB -0.758 18.286 19.000 0.073 0.000 0.816 292 A HN 0.447 nan 8.150 nan 0.000 0.444 293 L N -0.149 121.064 121.223 -0.016 0.000 2.046 293 L HA -0.265 4.075 4.340 0.001 0.000 0.208 293 L C 2.950 179.785 176.870 -0.057 0.000 1.077 293 L CA 1.858 56.683 54.840 -0.025 0.000 0.747 293 L CB -0.668 41.391 42.059 0.000 0.000 0.896 293 L HN 0.754 nan 8.230 nan 0.000 0.432 294 Q N -0.700 119.013 119.800 -0.145 0.000 2.364 294 Q HA -0.210 4.131 4.340 0.001 0.000 0.207 294 Q C 1.178 177.058 176.000 -0.200 0.000 0.970 294 Q CA 1.495 57.166 55.803 -0.220 0.000 0.888 294 Q CB -0.164 28.368 28.738 -0.343 0.000 0.951 294 Q HN 0.447 nan 8.270 nan 0.000 0.469 295 Y N 1.152 121.453 120.300 0.002 0.000 2.493 295 Y HA 0.230 4.781 4.550 0.001 0.000 0.275 295 Y C -0.056 175.835 175.900 -0.015 0.000 1.183 295 Y CA -0.688 57.417 58.100 0.008 0.000 1.258 295 Y CB 0.118 38.614 38.460 0.062 0.000 1.108 295 Y HN 0.221 nan 8.280 nan 0.000 0.521 296 N N -0.264 118.491 118.700 0.091 0.000 2.725 296 N HA -0.218 4.522 4.740 0.001 0.000 0.249 296 N C -0.779 174.750 175.510 0.032 0.000 1.103 296 N CA 0.555 53.625 53.050 0.032 0.000 0.707 296 N CB -1.812 36.680 38.487 0.010 0.000 1.043 296 N HN 0.354 nan 8.380 nan 0.000 0.553 297 L N 1.420 122.680 121.223 0.061 0.000 2.281 297 L HA 0.278 4.619 4.340 0.001 0.000 0.285 297 L C -1.541 175.343 176.870 0.023 0.000 1.074 297 L CA -1.457 53.415 54.840 0.052 0.000 0.817 297 L CB 0.655 42.769 42.059 0.092 0.000 1.168 297 L HN -0.201 nan 8.230 nan 0.000 0.434 298 P HA 0.152 nan 4.420 nan 0.000 0.238 298 P C -0.421 176.934 177.300 0.091 0.000 1.794 298 P CA -0.217 62.903 63.100 0.034 0.000 1.088 298 P CB -0.450 31.288 31.700 0.064 0.000 1.923 299 I N -0.196 120.375 120.570 0.001 0.000 2.371 299 I HA 0.409 4.580 4.170 0.001 0.000 0.290 299 I C -0.548 175.539 176.117 -0.050 0.000 1.028 299 I CA -0.894 60.427 61.300 0.035 0.000 1.345 299 I CB 0.239 38.244 38.000 0.008 0.000 1.407 299 I HN 0.035 nan 8.210 nan 0.000 0.501 300 Y N 4.305 124.579 120.300 -0.045 0.000 2.341 300 Y HA 0.415 4.966 4.550 0.001 0.000 0.338 300 Y C 0.264 176.147 175.900 -0.028 0.000 0.965 300 Y CA -0.714 57.362 58.100 -0.040 0.000 1.108 300 Y CB 1.530 39.968 38.460 -0.036 0.000 1.180 300 Y HN 0.635 nan 8.280 nan 0.000 0.458 301 N N 1.394 120.135 118.700 0.068 0.000 2.476 301 N HA 0.577 5.318 4.740 0.001 0.000 0.275 301 N C -1.022 174.521 175.510 0.055 0.000 1.190 301 N CA -0.252 52.821 53.050 0.040 0.000 0.977 301 N CB 1.266 39.744 38.487 -0.015 0.000 1.200 301 N HN 0.686 nan 8.380 nan 0.000 0.515 302 S N 0.068 115.794 115.700 0.044 0.000 2.596 302 S HA 0.683 5.154 4.470 0.001 0.000 0.270 302 S C -1.562 173.072 174.600 0.057 0.000 1.155 302 S CA -0.890 57.332 58.200 0.037 0.000 0.827 302 S CB 1.125 64.353 63.200 0.046 0.000 1.130 302 S HN 0.395 nan 8.310 nan 0.000 0.467 303 F N 0.198 120.027 119.950 -0.201 0.000 2.574 303 F HA 0.802 5.330 4.527 0.001 0.000 0.313 303 F C -0.021 175.536 175.800 -0.405 0.000 1.130 303 F CA 0.598 58.431 58.000 -0.278 0.000 0.936 303 F CB 1.616 40.410 39.000 -0.344 0.000 1.219 303 F HN 1.239 nan 8.300 nan 0.000 0.445 304 G N 5.240 113.474 108.800 -0.942 0.000 2.554 304 G HA2 0.652 4.613 3.960 0.001 0.000 0.306 304 G HA3 0.652 4.613 3.960 0.001 0.000 0.306 304 G C -1.735 172.894 174.900 -0.453 0.000 1.320 304 G CA -0.743 44.055 45.100 -0.504 0.000 0.800 304 G HN 0.776 nan 8.290 nan 0.000 0.481 305 M N -1.925 117.624 119.600 -0.086 0.000 3.079 305 M HA 0.471 4.951 4.480 0.001 0.000 0.277 305 M C 0.663 176.961 176.300 -0.003 0.000 1.317 305 M CA -0.700 54.567 55.300 -0.056 0.000 0.793 305 M CB 0.895 33.518 32.600 0.039 0.000 1.690 305 M HN 0.362 nan 8.290 nan 0.000 0.451 306 T N -0.147 114.417 114.554 0.017 0.000 2.833 306 T HA -0.082 4.269 4.350 0.001 0.000 0.269 306 T C 1.262 175.940 174.700 -0.037 0.000 1.054 306 T CA 2.239 64.359 62.100 0.033 0.000 1.135 306 T CB -0.281 68.641 68.868 0.090 0.000 0.869 306 T HN 0.677 nan 8.240 nan 0.000 0.466 307 E N 0.915 121.043 120.200 -0.120 0.000 2.285 307 E HA -0.015 4.336 4.350 0.001 0.000 0.194 307 E C 2.118 178.499 176.600 -0.366 0.000 0.997 307 E CA 1.042 57.219 56.400 -0.370 0.000 0.845 307 E CB -0.054 29.164 29.700 -0.803 0.000 0.782 307 E HN 0.638 nan 8.360 nan 0.000 0.491 308 T N -3.655 110.788 114.554 -0.185 0.000 3.129 308 T HA 0.164 4.515 4.350 0.001 0.000 0.267 308 T C 0.678 175.372 174.700 -0.009 0.000 1.018 308 T CA -0.240 61.795 62.100 -0.108 0.000 0.903 308 T CB -0.659 68.191 68.868 -0.029 0.000 1.067 308 T HN 0.153 nan 8.240 nan 0.000 0.549 309 C N 2.415 121.703 119.300 -0.021 0.000 4.365 309 C HA -0.036 4.425 4.460 0.001 0.000 0.299 309 C C 1.258 176.302 174.990 0.090 0.000 1.409 309 C CA 0.877 59.918 59.018 0.038 0.000 2.007 309 C CB -3.159 24.580 27.740 -0.002 0.000 1.264 309 C HN 1.722 nan 8.230 nan 0.000 0.777 310 S N -2.533 113.210 115.700 0.070 0.000 4.074 310 S HA -0.115 4.356 4.470 0.001 0.000 0.636 310 S C -0.580 174.071 174.600 0.085 0.000 1.550 310 S CA 0.386 58.619 58.200 0.056 0.000 1.877 310 S CB -0.688 62.542 63.200 0.051 0.000 0.327 310 S HN 2.013 nan 8.310 nan 0.000 1.583 311 Q N 2.354 122.192 119.800 0.063 0.000 2.373 311 Q HA 0.482 4.823 4.340 0.001 0.000 0.255 311 Q C 0.553 176.651 176.000 0.163 0.000 0.980 311 Q CA 0.252 56.075 55.803 0.033 0.000 0.882 311 Q CB 0.319 29.064 28.738 0.011 0.000 1.249 311 Q HN 1.520 nan 8.270 nan 0.000 0.438 312 F N 0.246 120.243 119.950 0.078 0.000 2.856 312 F HA 0.436 4.963 4.527 0.001 0.000 0.338 312 F C -0.792 175.084 175.800 0.126 0.000 1.100 312 F CA -0.725 57.335 58.000 0.101 0.000 1.150 312 F CB 0.624 39.689 39.000 0.108 0.000 1.101 312 F HN 0.239 nan 8.300 nan 0.000 0.548 313 L N 1.762 122.851 121.223 -0.223 0.000 2.365 313 L HA 0.744 5.085 4.340 0.001 0.000 0.273 313 L C -0.795 176.051 176.870 -0.040 0.000 1.000 313 L CA -0.663 54.111 54.840 -0.110 0.000 0.819 313 L CB 2.296 44.241 42.059 -0.190 0.000 1.284 313 L HN -0.020 nan 8.230 nan 0.000 0.418 314 T N 1.540 116.089 114.554 -0.008 0.000 2.991 314 T HA 0.618 4.969 4.350 0.001 0.000 0.303 314 T C -0.615 174.075 174.700 -0.016 0.000 1.015 314 T CA -0.551 61.569 62.100 0.033 0.000 1.007 314 T CB 1.908 70.835 68.868 0.099 0.000 1.034 314 T HN 0.619 nan 8.240 nan 0.000 0.446 315 A N 3.042 125.842 122.820 -0.033 0.000 2.258 315 A HA 0.699 5.020 4.320 0.001 0.000 0.316 315 A C 0.780 178.256 177.584 -0.181 0.000 1.279 315 A CA -0.761 51.187 52.037 -0.148 0.000 0.876 315 A CB 0.037 18.933 19.000 -0.173 0.000 1.170 315 A HN 0.874 nan 8.150 nan 0.000 0.520 316 T N 1.112 115.505 114.554 -0.269 0.000 2.813 316 T HA 0.308 4.659 4.350 0.001 0.000 0.297 316 T C -1.748 172.630 174.700 -0.537 0.000 1.036 316 T CA -1.046 60.703 62.100 -0.585 0.000 1.044 316 T CB 0.381 69.064 68.868 -0.307 0.000 0.993 316 T HN 0.291 nan 8.240 nan 0.000 0.535 317 P HA -0.102 nan 4.420 nan 0.000 0.216 317 P C 1.284 178.479 177.300 -0.175 0.000 1.150 317 P CA 1.095 63.991 63.100 -0.340 0.000 0.843 317 P CB 0.037 31.559 31.700 -0.297 0.000 0.787 318 E N -1.181 118.919 120.200 -0.167 0.000 2.077 318 E HA -0.126 4.225 4.350 0.001 0.000 0.193 318 E C 2.023 178.626 176.600 0.004 0.000 0.989 318 E CA 1.344 57.701 56.400 -0.072 0.000 0.800 318 E CB -0.893 28.766 29.700 -0.069 0.000 0.746 318 E HN 0.260 nan 8.360 nan 0.000 0.452 319 M N -0.290 119.270 119.600 -0.067 0.000 2.229 319 M HA -0.090 4.391 4.480 0.001 0.000 0.264 319 M C 1.934 178.231 176.300 -0.005 0.000 1.063 319 M CA 1.081 56.347 55.300 -0.057 0.000 1.114 319 M CB -0.115 32.254 32.600 -0.384 0.000 1.387 319 M HN 0.092 nan 8.290 nan 0.000 0.420 320 L N -1.373 119.816 121.223 -0.056 0.000 2.156 320 L HA -0.185 4.156 4.340 0.001 0.000 0.208 320 L C 2.490 179.368 176.870 0.014 0.000 1.095 320 L CA 1.053 55.871 54.840 -0.037 0.000 0.770 320 L CB -0.657 41.356 42.059 -0.076 0.000 0.914 320 L HN 0.335 nan 8.230 nan 0.000 0.439 321 H N -0.057 118.985 119.070 -0.047 0.000 2.353 321 H HA -0.126 4.430 4.556 0.001 0.000 0.300 321 H C 2.127 177.454 175.328 -0.002 0.000 1.090 321 H CA 1.617 57.646 56.048 -0.031 0.000 1.327 321 H CB 0.222 29.960 29.762 -0.040 0.000 1.383 321 H HN 0.283 nan 8.280 nan 0.000 0.508 322 A N 0.696 123.592 122.820 0.127 0.000 1.840 322 A HA 0.030 4.351 4.320 0.001 0.000 0.214 322 A C 1.031 178.642 177.584 0.045 0.000 1.198 322 A CA 1.152 53.246 52.037 0.097 0.000 0.608 322 A CB 0.094 19.203 19.000 0.182 0.000 0.839 322 A HN 0.403 nan 8.150 nan 0.000 0.443 323 R N -0.682 119.884 120.500 0.111 0.000 2.415 323 R HA 0.276 4.616 4.340 0.001 0.000 0.292 323 R C -2.527 173.793 176.300 0.035 0.000 1.295 323 R CA -1.713 54.437 56.100 0.083 0.000 1.137 323 R CB 1.152 31.562 30.300 0.184 0.000 1.135 323 R HN 0.184 nan 8.270 nan 0.000 0.560 324 P HA -0.174 nan 4.420 nan 0.000 0.223 324 P C 0.345 177.620 177.300 -0.043 0.000 1.144 324 P CA 1.250 64.327 63.100 -0.038 0.000 0.783 324 P CB 0.236 31.905 31.700 -0.051 0.000 0.771 325 D N -3.266 117.110 120.400 -0.039 0.000 2.349 325 D HA 0.013 4.653 4.640 0.001 0.000 0.214 325 D C 0.545 176.784 176.300 -0.101 0.000 1.063 325 D CA 0.172 54.130 54.000 -0.070 0.000 0.847 325 D CB -1.078 39.682 40.800 -0.067 0.000 0.933 325 D HN -0.027 nan 8.370 nan 0.000 0.513 326 T N 0.114 114.629 114.554 -0.065 0.000 2.913 326 T HA 0.255 4.606 4.350 0.001 0.000 0.297 326 T C 1.326 175.949 174.700 -0.128 0.000 1.029 326 T CA -0.209 61.839 62.100 -0.088 0.000 1.104 326 T CB 1.340 70.189 68.868 -0.032 0.000 0.964 326 T HN -0.003 nan 8.240 nan 0.000 0.532 327 V N 1.235 121.056 119.914 -0.156 0.000 3.660 327 V HA 0.664 4.784 4.120 0.001 0.000 0.276 327 V C 1.029 177.052 176.094 -0.119 0.000 1.317 327 V CA 0.603 62.827 62.300 -0.128 0.000 1.097 327 V CB -0.931 30.798 31.823 -0.157 0.000 0.863 327 V HN 1.260 nan 8.190 nan 0.000 0.438 328 G N -0.105 108.597 108.800 -0.164 0.000 2.315 328 G HA2 0.109 4.070 3.960 0.001 0.000 0.296 328 G HA3 0.109 4.070 3.960 0.001 0.000 0.296 328 G C -1.043 173.758 174.900 -0.165 0.000 1.289 328 G CA -0.487 44.496 45.100 -0.195 0.000 0.996 328 G HN 0.212 nan 8.290 nan 0.000 0.487 329 M N 1.449 120.966 119.600 -0.139 0.000 2.367 329 M HA 0.429 4.910 4.480 0.001 0.000 0.339 329 M C -2.178 174.141 176.300 0.032 0.000 1.177 329 M CA -1.635 53.641 55.300 -0.041 0.000 1.068 329 M CB 1.860 34.433 32.600 -0.044 0.000 1.602 329 M HN 0.291 nan 8.290 nan 0.000 0.457 330 P HA 0.016 nan 4.420 nan 0.000 0.267 330 P C -0.966 176.411 177.300 0.127 0.000 1.200 330 P CA -0.123 63.076 63.100 0.164 0.000 0.772 330 P CB 0.292 32.102 31.700 0.183 0.000 0.855 331 S N 1.368 117.161 115.700 0.154 0.000 2.576 331 S HA 0.208 4.679 4.470 0.001 0.000 0.272 331 S C 1.492 176.149 174.600 0.094 0.000 1.352 331 S CA -0.044 58.224 58.200 0.113 0.000 1.021 331 S CB 0.369 63.643 63.200 0.124 0.000 0.887 331 S HN 0.553 nan 8.310 nan 0.000 0.542 332 A N 1.733 124.592 122.820 0.065 0.000 1.969 332 A HA -0.095 4.226 4.320 0.001 0.000 0.218 332 A C 1.581 179.197 177.584 0.053 0.000 1.169 332 A CA 1.190 53.260 52.037 0.054 0.000 0.635 332 A CB -0.776 18.246 19.000 0.037 0.000 0.810 332 A HN 0.902 nan 8.150 nan 0.000 0.445 333 N N -0.259 118.472 118.700 0.052 0.000 2.389 333 N HA 0.220 4.961 4.740 0.001 0.000 0.237 333 N C -0.617 174.920 175.510 0.045 0.000 1.148 333 N CA 0.090 53.168 53.050 0.046 0.000 0.854 333 N CB 0.162 38.674 38.487 0.043 0.000 1.115 333 N HN 0.128 nan 8.380 nan 0.000 0.492 334 V N -0.198 119.752 119.914 0.059 0.000 3.007 334 V HA 0.302 4.423 4.120 0.001 0.000 0.311 334 V C -1.364 174.772 176.094 0.069 0.000 1.120 334 V CA -0.905 61.430 62.300 0.058 0.000 0.980 334 V CB 2.659 34.547 31.823 0.109 0.000 1.033 334 V HN 0.133 nan 8.190 nan 0.000 0.429 335 D N 2.604 123.033 120.400 0.048 0.000 2.440 335 D HA 0.490 5.131 4.640 0.001 0.000 0.239 335 D C -0.869 175.563 176.300 0.219 0.000 1.084 335 D CA -0.042 54.031 54.000 0.122 0.000 0.843 335 D CB 2.266 43.123 40.800 0.095 0.000 1.097 335 D HN 0.172 nan 8.370 nan 0.000 0.531 336 V N 3.090 123.146 119.914 0.236 0.000 2.513 336 V HA 0.484 4.605 4.120 0.001 0.000 0.299 336 V C 0.115 176.336 176.094 0.211 0.000 1.035 336 V CA -0.517 61.935 62.300 0.253 0.000 0.889 336 V CB 2.062 34.046 31.823 0.269 0.000 0.988 336 V HN 0.526 nan 8.190 nan 0.000 0.440 337 K N 3.605 124.100 120.400 0.160 0.000 2.533 337 K HA 0.736 5.057 4.320 0.001 0.000 0.272 337 K C -1.905 174.708 176.600 0.021 0.000 0.985 337 K CA -0.951 55.362 56.287 0.044 0.000 0.876 337 K CB 2.165 34.611 32.500 -0.091 0.000 1.452 337 K HN 0.326 nan 8.250 nan 0.000 0.439 338 I N 1.703 122.279 120.570 0.010 0.000 2.359 338 I HA 0.291 4.462 4.170 0.001 0.000 0.294 338 I C -0.401 175.708 176.117 -0.014 0.000 0.987 338 I CA -0.352 60.959 61.300 0.018 0.000 1.225 338 I CB 1.653 39.682 38.000 0.048 0.000 1.366 338 I HN 0.511 nan 8.210 nan 0.000 0.466 339 K N 6.073 126.465 120.400 -0.013 0.000 2.183 339 K HA 0.325 4.646 4.320 0.001 0.000 0.274 339 K C -0.375 176.233 176.600 0.014 0.000 1.009 339 K CA -0.289 55.984 56.287 -0.022 0.000 0.888 339 K CB 0.410 32.888 32.500 -0.038 0.000 1.078 339 K HN 0.702 nan 8.250 nan 0.000 0.459 340 N N 3.269 121.979 118.700 0.017 0.000 2.642 340 N HA -0.168 4.573 4.740 0.001 0.000 0.269 340 N C -2.494 173.042 175.510 0.043 0.000 1.073 340 N CA -0.208 52.862 53.050 0.034 0.000 0.748 340 N CB -0.663 37.852 38.487 0.047 0.000 0.894 340 N HN 0.470 nan 8.380 nan 0.000 0.548 341 P HA 0.067 nan 4.420 nan 0.000 0.271 341 P C 0.141 177.471 177.300 0.049 0.000 1.218 341 P CA -0.081 63.056 63.100 0.061 0.000 0.780 341 P CB 0.728 32.462 31.700 0.057 0.000 0.901 342 N N 1.454 120.188 118.700 0.057 0.000 2.229 342 N HA -0.006 4.735 4.740 0.001 0.000 0.242 342 N C 1.314 176.817 175.510 -0.012 0.000 1.327 342 N CA 0.072 53.126 53.050 0.006 0.000 0.896 342 N CB 0.103 38.559 38.487 -0.053 0.000 1.129 342 N HN 0.244 nan 8.380 nan 0.000 0.490 343 K N 0.760 121.134 120.400 -0.045 0.000 2.148 343 K HA -0.004 4.316 4.320 0.001 0.000 0.204 343 K C 1.286 177.850 176.600 -0.060 0.000 1.050 343 K CA 1.100 57.359 56.287 -0.046 0.000 0.942 343 K CB 0.052 32.520 32.500 -0.053 0.000 0.724 343 K HN 0.493 nan 8.250 nan 0.000 0.446 344 E N -1.121 119.002 120.200 -0.128 0.000 2.481 344 E HA 0.029 4.380 4.350 0.001 0.000 0.195 344 E C 0.467 177.090 176.600 0.039 0.000 1.047 344 E CA 0.496 56.804 56.400 -0.153 0.000 0.867 344 E CB 0.334 29.738 29.700 -0.493 0.000 0.858 344 E HN 0.459 nan 8.360 nan 0.000 0.513 345 G N 1.610 110.458 108.800 0.081 0.000 2.157 345 G HA2 -0.196 3.764 3.960 0.001 0.000 0.239 345 G HA3 -0.196 3.764 3.960 0.001 0.000 0.239 345 G C -0.244 174.813 174.900 0.262 0.000 0.982 345 G CA -0.128 45.069 45.100 0.162 0.000 0.650 345 G HN 0.256 nan 8.290 nan 0.000 0.527 346 H N 0.677 119.758 119.070 0.018 0.000 2.690 346 H HA 0.619 5.176 4.556 0.001 0.000 0.314 346 H C 0.848 176.205 175.328 0.049 0.000 1.069 346 H CA 0.527 56.597 56.048 0.037 0.000 1.436 346 H CB 1.296 31.020 29.762 -0.063 0.000 1.462 346 H HN 0.757 nan 8.280 nan 0.000 0.511 347 G N 1.485 110.385 108.800 0.168 0.000 2.561 347 G HA2 0.298 4.258 3.960 0.001 0.000 0.310 347 G HA3 0.298 4.258 3.960 0.001 0.000 0.310 347 G C -1.248 173.707 174.900 0.092 0.000 1.292 347 G CA -1.051 44.119 45.100 0.117 0.000 0.811 347 G HN 0.559 nan 8.290 nan 0.000 0.482 348 E N 0.139 120.379 120.200 0.066 0.000 2.259 348 E HA 0.377 4.728 4.350 0.001 0.000 0.281 348 E C -0.790 175.832 176.600 0.036 0.000 1.037 348 E CA -0.689 55.739 56.400 0.048 0.000 0.854 348 E CB 2.270 31.986 29.700 0.027 0.000 1.051 348 E HN 0.270 nan 8.360 nan 0.000 0.409 349 L N 4.418 125.670 121.223 0.049 0.000 2.369 349 L HA 0.167 4.508 4.340 0.001 0.000 0.279 349 L C -0.785 176.137 176.870 0.085 0.000 1.108 349 L CA 0.322 55.213 54.840 0.085 0.000 0.852 349 L CB 0.362 42.491 42.059 0.117 0.000 1.169 349 L HN 0.579 nan 8.230 nan 0.000 0.452 350 M N 6.941 126.599 119.600 0.097 0.000 2.456 350 M HA 0.492 4.972 4.480 0.001 0.000 0.324 350 M C -0.707 175.738 176.300 0.242 0.000 1.124 350 M CA -0.384 54.991 55.300 0.126 0.000 0.959 350 M CB 1.797 34.428 32.600 0.050 0.000 1.692 350 M HN 0.578 nan 8.290 nan 0.000 0.444 351 I N 1.877 122.593 120.570 0.244 0.000 2.656 351 I HA 0.485 4.655 4.170 0.001 0.000 0.292 351 I C -1.484 174.641 176.117 0.015 0.000 1.144 351 I CA -0.481 60.879 61.300 0.100 0.000 1.038 351 I CB 2.439 40.236 38.000 -0.338 0.000 1.244 351 I HN 0.714 nan 8.210 nan 0.000 0.420 352 K N 5.083 125.367 120.400 -0.193 0.000 2.422 352 K HA 0.832 5.153 4.320 0.001 0.000 0.251 352 K C -0.910 175.575 176.600 -0.191 0.000 0.933 352 K CA -0.468 55.614 56.287 -0.341 0.000 0.798 352 K CB 2.283 34.255 32.500 -0.880 0.000 1.238 352 K HN 0.901 nan 8.250 nan 0.000 0.428 353 G N 0.725 109.442 108.800 -0.139 0.000 2.340 353 G HA2 0.326 4.287 3.960 0.001 0.000 0.300 353 G HA3 0.326 4.287 3.960 0.001 0.000 0.300 353 G C -0.183 174.677 174.900 -0.066 0.000 1.488 353 G CA -0.216 44.834 45.100 -0.083 0.000 0.878 353 G HN 0.557 nan 8.290 nan 0.000 0.618 354 A N 0.150 122.949 122.820 -0.035 0.000 2.178 354 A HA -0.021 4.300 4.320 0.001 0.000 0.218 354 A C 2.048 179.620 177.584 -0.020 0.000 1.157 354 A CA 2.102 54.125 52.037 -0.023 0.000 0.689 354 A CB -0.509 18.500 19.000 0.015 0.000 0.787 354 A HN 1.087 nan 8.150 nan 0.000 0.465 355 N N -0.065 118.623 118.700 -0.020 0.000 2.416 355 N HA -0.013 4.728 4.740 0.001 0.000 0.177 355 N C 0.278 175.736 175.510 -0.086 0.000 1.036 355 N CA 0.619 53.653 53.050 -0.027 0.000 0.901 355 N CB -0.740 37.756 38.487 0.015 0.000 0.976 355 N HN 0.171 nan 8.380 nan 0.000 0.444 356 V N 3.340 123.191 119.914 -0.105 0.000 2.637 356 V HA 0.045 4.166 4.120 0.001 0.000 0.296 356 V C 1.227 177.228 176.094 -0.156 0.000 1.046 356 V CA -0.578 61.630 62.300 -0.154 0.000 1.066 356 V CB 0.344 32.107 31.823 -0.100 0.000 0.968 356 V HN 0.402 nan 8.190 nan 0.000 0.483 357 M N 3.984 123.452 119.600 -0.221 0.000 2.243 357 M HA 0.120 4.600 4.480 0.001 0.000 0.309 357 M C 0.760 176.984 176.300 -0.127 0.000 1.050 357 M CA 0.647 55.827 55.300 -0.200 0.000 1.139 357 M CB 0.066 32.500 32.600 -0.278 0.000 1.457 357 M HN 0.466 nan 8.290 nan 0.000 0.440 358 N N 0.865 119.480 118.700 -0.142 0.000 2.446 358 N HA 0.255 4.996 4.740 0.001 0.000 0.179 358 N C 0.430 175.845 175.510 -0.159 0.000 1.054 358 N CA 0.887 53.831 53.050 -0.177 0.000 0.905 358 N CB 0.369 38.767 38.487 -0.149 0.000 0.973 358 N HN 0.924 nan 8.380 nan 0.000 0.448 359 G N -0.445 108.323 108.800 -0.052 0.000 2.312 359 G HA2 0.023 3.984 3.960 0.001 0.000 0.347 359 G HA3 0.023 3.984 3.960 0.001 0.000 0.347 359 G C -1.568 173.296 174.900 -0.060 0.000 1.564 359 G CA -1.074 44.053 45.100 0.045 0.000 0.981 359 G HN -0.022 nan 8.290 nan 0.000 0.678 360 Y N 0.345 120.706 120.300 0.102 0.000 2.683 360 Y HA 0.229 4.780 4.550 0.001 0.000 0.340 360 Y C 1.828 177.746 175.900 0.031 0.000 1.245 360 Y CA -0.154 57.965 58.100 0.032 0.000 1.485 360 Y CB 0.476 38.954 38.460 0.030 0.000 1.328 360 Y HN 0.398 nan 8.280 nan 0.000 0.603 361 L N 1.936 123.269 121.223 0.184 0.000 2.131 361 L HA -0.014 4.327 4.340 0.001 0.000 0.206 361 L C -0.215 176.793 176.870 0.229 0.000 1.087 361 L CA 1.015 55.944 54.840 0.150 0.000 0.767 361 L CB -0.672 41.444 42.059 0.094 0.000 0.917 361 L HN 0.694 nan 8.230 nan 0.000 0.441 362 Y N -0.134 120.206 120.300 0.067 0.000 2.544 362 Y HA 0.455 5.005 4.550 0.001 0.000 0.342 362 Y C -2.528 173.382 175.900 0.017 0.000 1.062 362 Y CA -2.420 55.719 58.100 0.065 0.000 1.023 362 Y CB 1.919 40.440 38.460 0.102 0.000 1.308 362 Y HN -0.216 nan 8.280 nan 0.000 0.457 363 P HA 0.229 nan 4.420 nan 0.000 0.297 363 P C -0.324 176.763 177.300 -0.356 0.000 1.303 363 P CA 0.053 62.549 63.100 -1.007 0.000 0.753 363 P CB 1.174 32.378 31.700 -0.826 0.000 1.281 364 T N -1.865 112.524 114.554 -0.275 0.000 3.023 364 T HA 0.016 4.367 4.350 0.001 0.000 0.249 364 T C 1.008 175.678 174.700 -0.051 0.000 1.050 364 T CA 0.739 62.791 62.100 -0.081 0.000 1.088 364 T CB -0.657 68.192 68.868 -0.031 0.000 0.946 364 T HN 0.320 nan 8.240 nan 0.000 0.480 365 D N 2.235 122.581 120.400 -0.089 0.000 2.123 365 D HA -0.036 4.605 4.640 0.001 0.000 0.196 365 D C 0.575 176.865 176.300 -0.017 0.000 0.992 365 D CA 0.585 54.558 54.000 -0.046 0.000 0.833 365 D CB -0.893 39.871 40.800 -0.060 0.000 0.954 365 D HN 0.365 nan 8.370 nan 0.000 0.455 366 L N -0.724 120.485 121.223 -0.023 0.000 2.536 366 L HA 0.202 4.543 4.340 0.001 0.000 0.294 366 L C 0.506 177.405 176.870 0.049 0.000 1.257 366 L CA 0.255 55.102 54.840 0.012 0.000 0.850 366 L CB -0.406 41.657 42.059 0.007 0.000 1.105 366 L HN -0.212 nan 8.230 nan 0.000 0.517 367 T N 0.430 115.014 114.554 0.050 0.000 2.876 367 T HA 0.615 4.966 4.350 0.001 0.000 0.289 367 T C 0.580 175.308 174.700 0.047 0.000 1.014 367 T CA 0.003 62.132 62.100 0.049 0.000 0.986 367 T CB 0.997 69.882 68.868 0.029 0.000 1.021 367 T HN 1.537 nan 8.240 nan 0.000 0.458 368 G N 3.059 111.890 108.800 0.052 0.000 2.273 368 G HA2 -0.264 3.696 3.960 0.001 0.000 0.280 368 G HA3 -0.264 3.696 3.960 0.001 0.000 0.280 368 G C 0.785 175.698 174.900 0.022 0.000 1.047 368 G CA 0.848 45.971 45.100 0.037 0.000 0.869 368 G HN 0.908 nan 8.290 nan 0.000 0.502 369 T N -0.782 113.809 114.554 0.062 0.000 2.788 369 T HA 0.125 4.476 4.350 0.001 0.000 0.268 369 T C 0.744 175.264 174.700 -0.298 0.000 1.044 369 T CA 1.361 63.425 62.100 -0.060 0.000 1.139 369 T CB 0.005 68.915 68.868 0.070 0.000 0.867 369 T HN 0.385 nan 8.240 nan 0.000 0.454 370 F N 0.840 120.845 119.950 0.093 0.000 2.551 370 F HA 0.455 4.983 4.527 0.001 0.000 0.316 370 F C -0.192 175.650 175.800 0.071 0.000 1.089 370 F CA -1.173 56.885 58.000 0.097 0.000 0.915 370 F CB 1.849 40.903 39.000 0.090 0.000 1.186 370 F HN -0.115 nan 8.300 nan 0.000 0.456 371 E N 2.052 122.414 120.200 0.269 0.000 2.220 371 E HA 0.266 4.616 4.350 0.001 0.000 0.256 371 E C -0.931 175.814 176.600 0.241 0.000 0.881 371 E CA -0.848 55.661 56.400 0.181 0.000 0.766 371 E CB 1.172 30.926 29.700 0.090 0.000 1.187 371 E HN 0.562 nan 8.360 nan 0.000 0.419 372 N N 2.266 121.081 118.700 0.192 0.000 2.727 372 N HA -0.244 4.496 4.740 0.001 0.000 0.249 372 N C 0.780 176.434 175.510 0.240 0.000 1.048 372 N CA 1.575 54.744 53.050 0.197 0.000 0.714 372 N CB -1.104 37.502 38.487 0.198 0.000 0.959 372 N HN 1.055 nan 8.380 nan 0.000 0.544 373 G N -2.778 106.136 108.800 0.190 0.000 2.225 373 G HA2 -0.380 3.581 3.960 0.001 0.000 0.254 373 G HA3 -0.380 3.581 3.960 0.001 0.000 0.254 373 G C -0.011 175.008 174.900 0.198 0.000 0.988 373 G CA 0.381 45.534 45.100 0.090 0.000 0.625 373 G HN 0.455 nan 8.290 nan 0.000 0.527 374 Y N 0.125 120.562 120.300 0.229 0.000 2.335 374 Y HA 0.554 5.105 4.550 0.001 0.000 0.331 374 Y C 0.595 176.643 175.900 0.246 0.000 1.094 374 Y CA -0.849 57.374 58.100 0.205 0.000 1.253 374 Y CB 0.586 39.103 38.460 0.095 0.000 1.203 374 Y HN 0.183 nan 8.280 nan 0.000 0.508 375 F N 4.847 124.884 119.950 0.144 0.000 2.427 375 F HA 0.231 4.759 4.527 0.001 0.000 0.352 375 F C 0.125 175.885 175.800 -0.067 0.000 1.100 375 F CA -0.806 57.098 58.000 -0.160 0.000 1.191 375 F CB 0.383 39.244 39.000 -0.231 0.000 1.128 375 F HN 0.429 nan 8.300 nan 0.000 0.533 376 N N 3.932 122.106 118.700 -0.877 0.000 2.415 376 N HA 0.023 4.764 4.740 0.001 0.000 0.246 376 N C 1.048 175.945 175.510 -1.022 0.000 1.078 376 N CA 0.456 53.113 53.050 -0.655 0.000 0.942 376 N CB 1.091 39.344 38.487 -0.391 0.000 1.140 376 N HN 0.825 nan 8.380 nan 0.000 0.501 377 T N 0.608 114.861 114.554 -0.501 0.000 2.977 377 T HA 0.020 4.371 4.350 0.001 0.000 0.271 377 T C 1.328 176.019 174.700 -0.015 0.000 1.105 377 T CA 1.047 63.074 62.100 -0.122 0.000 1.116 377 T CB -0.270 68.775 68.868 0.295 0.000 0.878 377 T HN 0.622 nan 8.240 nan 0.000 0.509 378 G N 0.815 109.573 108.800 -0.069 0.000 2.176 378 G HA2 -0.188 3.773 3.960 0.001 0.000 0.253 378 G HA3 -0.188 3.773 3.960 0.001 0.000 0.253 378 G C -0.313 174.634 174.900 0.078 0.000 0.979 378 G CA 0.128 45.240 45.100 0.021 0.000 0.641 378 G HN 0.620 nan 8.290 nan 0.000 0.530 379 D N 0.073 120.526 120.400 0.089 0.000 2.181 379 D HA 0.580 5.221 4.640 0.001 0.000 0.248 379 D C -0.024 176.308 176.300 0.055 0.000 1.020 379 D CA -0.362 53.681 54.000 0.072 0.000 0.891 379 D CB 1.778 42.608 40.800 0.050 0.000 1.187 379 D HN 0.081 nan 8.370 nan 0.000 0.443 380 I N 1.609 122.214 120.570 0.059 0.000 2.342 380 I HA 0.414 4.585 4.170 0.001 0.000 0.291 380 I C 0.267 176.412 176.117 0.048 0.000 1.010 380 I CA 0.107 61.461 61.300 0.091 0.000 1.308 380 I CB 1.261 39.358 38.000 0.161 0.000 1.400 380 I HN 0.376 nan 8.210 nan 0.000 0.488 381 A N 5.587 128.434 122.820 0.046 0.000 2.593 381 A HA 0.862 5.183 4.320 0.001 0.000 0.290 381 A C -1.198 176.399 177.584 0.022 0.000 1.126 381 A CA -0.665 51.348 52.037 -0.040 0.000 0.695 381 A CB 1.507 20.439 19.000 -0.113 0.000 1.290 381 A HN 0.669 nan 8.150 nan 0.000 0.414 382 E N 0.110 120.305 120.200 -0.007 0.000 2.288 382 E HA 0.750 5.100 4.350 0.001 0.000 0.268 382 E C -1.554 175.069 176.600 0.038 0.000 0.885 382 E CA -0.685 55.749 56.400 0.057 0.000 0.767 382 E CB 1.811 31.584 29.700 0.121 0.000 1.220 382 E HN 0.477 nan 8.360 nan 0.000 0.427 383 I N 2.914 123.525 120.570 0.068 0.000 2.406 383 I HA 0.236 4.406 4.170 0.001 0.000 0.290 383 I C -0.294 175.870 176.117 0.079 0.000 0.999 383 I CA -0.981 60.362 61.300 0.072 0.000 1.124 383 I CB 1.296 39.343 38.000 0.077 0.000 1.289 383 I HN 0.702 nan 8.210 nan 0.000 0.441 384 D N 4.891 125.333 120.400 0.069 0.000 2.478 384 D HA -0.006 4.634 4.640 0.001 0.000 0.274 384 D C 1.233 177.557 176.300 0.040 0.000 1.234 384 D CA 0.036 54.067 54.000 0.052 0.000 1.069 384 D CB 0.226 41.026 40.800 -0.001 0.000 1.113 384 D HN 0.650 nan 8.370 nan 0.000 0.571 385 H N -1.209 117.851 119.070 -0.017 0.000 2.524 385 H HA 0.063 4.619 4.556 0.001 0.000 0.282 385 H C 0.368 175.698 175.328 0.002 0.000 1.016 385 H CA 0.965 57.009 56.048 -0.007 0.000 1.270 385 H CB 0.062 29.812 29.762 -0.020 0.000 1.394 385 H HN 0.557 nan 8.280 nan 0.000 0.568 386 E N 0.248 120.110 120.200 -0.563 0.000 2.474 386 E HA 0.158 4.509 4.350 0.001 0.000 0.195 386 E C 0.889 177.509 176.600 0.033 0.000 1.039 386 E CA 0.262 56.472 56.400 -0.316 0.000 0.881 386 E CB 0.601 30.029 29.700 -0.454 0.000 0.970 386 E HN 0.708 nan 8.360 nan 0.000 0.486 387 G N 1.397 110.233 108.800 0.060 0.000 2.141 387 G HA2 -0.297 3.664 3.960 0.001 0.000 0.231 387 G HA3 -0.297 3.664 3.960 0.001 0.000 0.231 387 G C -0.091 174.930 174.900 0.202 0.000 0.984 387 G CA -0.277 44.900 45.100 0.128 0.000 0.660 387 G HN 0.337 nan 8.290 nan 0.000 0.525 388 Y N -0.245 120.023 120.300 -0.053 0.000 2.511 388 Y HA 0.360 4.911 4.550 0.001 0.000 0.332 388 Y C 0.968 176.835 175.900 -0.055 0.000 1.177 388 Y CA -0.728 57.340 58.100 -0.054 0.000 1.422 388 Y CB 1.113 39.534 38.460 -0.066 0.000 1.271 388 Y HN 0.029 nan 8.280 nan 0.000 0.550 389 V N 5.471 125.408 119.914 0.039 0.000 2.417 389 V HA 0.279 4.400 4.120 0.001 0.000 0.291 389 V C -0.315 175.692 176.094 -0.146 0.000 1.024 389 V CA -0.770 61.499 62.300 -0.050 0.000 0.861 389 V CB 1.350 33.129 31.823 -0.075 0.000 0.985 389 V HN 0.657 nan 8.190 nan 0.000 0.436 390 M N 5.744 125.210 119.600 -0.223 0.000 2.294 390 M HA 0.587 5.068 4.480 0.001 0.000 0.335 390 M C -0.649 175.228 176.300 -0.704 0.000 1.079 390 M CA -0.016 55.030 55.300 -0.423 0.000 0.982 390 M CB 1.637 33.997 32.600 -0.399 0.000 1.651 390 M HN 0.405 nan 8.290 nan 0.000 0.437 391 I N 3.055 123.199 120.570 -0.710 0.000 2.392 391 I HA 0.330 4.501 4.170 0.001 0.000 0.295 391 I C -1.224 174.450 176.117 -0.738 0.000 0.985 391 I CA -0.742 60.160 61.300 -0.663 0.000 1.221 391 I CB 1.159 38.819 38.000 -0.566 0.000 1.366 391 I HN 0.584 nan 8.210 nan 0.000 0.467 392 Y N 3.784 123.961 120.300 -0.205 0.000 2.388 392 Y HA 0.189 4.740 4.550 0.001 0.000 0.328 392 Y C -0.056 175.736 175.900 -0.179 0.000 0.963 392 Y CA -1.358 56.638 58.100 -0.174 0.000 1.240 392 Y CB 0.741 39.099 38.460 -0.170 0.000 1.118 392 Y HN 0.497 nan 8.280 nan 0.000 0.484 393 D N 3.066 123.435 120.400 -0.052 0.000 2.343 393 D HA 0.112 4.752 4.640 0.001 0.000 0.255 393 D C 0.250 176.438 176.300 -0.188 0.000 1.187 393 D CA -0.448 53.484 54.000 -0.113 0.000 0.875 393 D CB 1.262 42.011 40.800 -0.085 0.000 1.136 393 D HN 0.649 nan 8.370 nan 0.000 0.469 394 R N 1.288 121.561 120.500 -0.377 0.000 2.600 394 R HA 0.081 4.422 4.340 0.001 0.000 0.392 394 R C 1.385 177.338 176.300 -0.578 0.000 1.032 394 R CA -0.262 55.458 56.100 -0.635 0.000 1.139 394 R CB 0.491 30.009 30.300 -1.302 0.000 1.400 394 R HN 0.466 nan 8.270 nan 0.000 0.566 395 R N 1.441 121.714 120.500 -0.377 0.000 2.346 395 R HA 0.011 4.352 4.340 0.001 0.000 0.199 395 R C 0.343 176.647 176.300 0.007 0.000 1.015 395 R CA 0.289 56.156 56.100 -0.390 0.000 1.058 395 R CB -0.123 29.928 30.300 -0.416 0.000 0.921 395 R HN -0.054 nan 8.270 nan 0.000 0.475 396 K N 2.171 122.576 120.400 0.009 0.000 2.132 396 K HA -0.035 4.286 4.320 0.001 0.000 0.240 396 K C -0.190 176.502 176.600 0.153 0.000 1.036 396 K CA 0.257 56.592 56.287 0.079 0.000 0.888 396 K CB 0.146 32.662 32.500 0.026 0.000 1.071 396 K HN 0.311 nan 8.250 nan 0.000 0.502 397 D N -0.010 120.462 120.400 0.120 0.000 2.779 397 D HA -0.214 4.427 4.640 0.001 0.000 0.223 397 D C -0.009 176.379 176.300 0.146 0.000 1.227 397 D CA 0.578 54.648 54.000 0.116 0.000 0.653 397 D CB -1.646 39.207 40.800 0.088 0.000 0.973 397 D HN 0.531 nan 8.370 nan 0.000 0.402 398 L N -2.462 118.863 121.223 0.170 0.000 2.349 398 L HA 0.549 4.889 4.340 0.001 0.000 0.275 398 L C 0.495 177.408 176.870 0.072 0.000 1.115 398 L CA -0.957 53.974 54.840 0.150 0.000 0.820 398 L CB 0.612 42.773 42.059 0.169 0.000 1.135 398 L HN -0.033 nan 8.230 nan 0.000 0.445 399 I N 4.235 124.830 120.570 0.041 0.000 2.441 399 I HA 0.233 4.404 4.170 0.001 0.000 0.287 399 I C 0.054 176.177 176.117 0.011 0.000 1.049 399 I CA -0.268 61.048 61.300 0.028 0.000 1.381 399 I CB 1.035 39.048 38.000 0.023 0.000 1.409 399 I HN 0.488 nan 8.210 nan 0.000 0.523 400 I N 5.104 125.692 120.570 0.030 0.000 2.304 400 I HA 0.238 4.408 4.170 0.001 0.000 0.291 400 I C -0.045 176.111 176.117 0.065 0.000 1.018 400 I CA 0.026 61.348 61.300 0.037 0.000 1.260 400 I CB 0.666 38.692 38.000 0.044 0.000 1.390 400 I HN 0.465 nan 8.210 nan 0.000 0.475 401 S N 4.307 120.050 115.700 0.071 0.000 2.594 401 S HA 0.517 4.988 4.470 0.001 0.000 0.322 401 S C 0.820 175.551 174.600 0.218 0.000 1.085 401 S CA -0.453 57.818 58.200 0.118 0.000 1.116 401 S CB 1.358 64.554 63.200 -0.007 0.000 0.979 401 S HN 1.040 nan 8.310 nan 0.000 0.465 402 G N 2.056 111.073 108.800 0.363 0.000 2.366 402 G HA2 -0.061 3.900 3.960 0.001 0.000 0.299 402 G HA3 -0.061 3.900 3.960 0.001 0.000 0.299 402 G C 1.131 176.148 174.900 0.195 0.000 1.020 402 G CA 0.583 45.921 45.100 0.396 0.000 1.026 402 G HN 1.736 nan 8.290 nan 0.000 0.512 403 G N -1.393 107.475 108.800 0.112 0.000 2.363 403 G HA2 -0.273 3.688 3.960 0.001 0.000 0.238 403 G HA3 -0.273 3.688 3.960 0.001 0.000 0.238 403 G C 0.449 175.362 174.900 0.021 0.000 1.062 403 G CA 0.983 46.115 45.100 0.054 0.000 0.629 403 G HN 1.001 nan 8.290 nan 0.000 0.514 404 E N 0.914 121.116 120.200 0.003 0.000 2.371 404 E HA 0.459 4.809 4.350 0.001 0.000 0.257 404 E C -0.365 176.228 176.600 -0.012 0.000 1.134 404 E CA -0.466 55.896 56.400 -0.064 0.000 0.919 404 E CB 0.288 29.843 29.700 -0.242 0.000 1.025 404 E HN 0.331 nan 8.360 nan 0.000 0.438 405 N N 1.454 120.137 118.700 -0.027 0.000 2.425 405 N HA 0.251 4.992 4.740 0.001 0.000 0.268 405 N C -1.015 174.362 175.510 -0.222 0.000 0.991 405 N CA -0.290 52.658 53.050 -0.170 0.000 0.931 405 N CB 0.825 39.117 38.487 -0.324 0.000 1.130 405 N HN 0.267 nan 8.380 nan 0.000 0.493 406 I N 3.346 123.777 120.570 -0.231 0.000 2.371 406 I HA 0.197 4.368 4.170 0.001 0.000 0.282 406 I C -0.663 175.343 176.117 -0.186 0.000 1.031 406 I CA -0.698 60.477 61.300 -0.208 0.000 1.180 406 I CB -0.329 37.612 38.000 -0.099 0.000 1.336 406 I HN 0.337 nan 8.210 nan 0.000 0.467 407 Y N 7.417 127.744 120.300 0.044 0.000 2.436 407 Y HA 0.256 4.806 4.550 0.001 0.000 0.343 407 Y C -1.313 174.608 175.900 0.034 0.000 1.008 407 Y CA -2.336 55.828 58.100 0.106 0.000 1.241 407 Y CB 0.128 38.721 38.460 0.220 0.000 1.153 407 Y HN 0.414 nan 8.280 nan 0.000 0.521 408 P HA -0.235 nan 4.420 nan 0.000 0.216 408 P C 1.407 178.781 177.300 0.124 0.000 1.150 408 P CA 1.606 64.785 63.100 0.131 0.000 0.837 408 P CB -0.127 31.661 31.700 0.146 0.000 0.786 409 Y N 0.037 120.396 120.300 0.099 0.000 2.274 409 Y HA -0.176 4.375 4.550 0.001 0.000 0.290 409 Y C 2.055 177.994 175.900 0.064 0.000 1.145 409 Y CA 1.165 59.307 58.100 0.070 0.000 1.203 409 Y CB -1.516 36.976 38.460 0.053 0.000 0.984 409 Y HN -0.029 nan 8.280 nan 0.000 0.533 410 Q N 0.173 119.474 119.800 -0.831 0.000 2.167 410 Q HA -0.092 4.248 4.340 0.001 0.000 0.202 410 Q C 2.054 177.902 176.000 -0.254 0.000 0.970 410 Q CA 1.807 57.224 55.803 -0.643 0.000 0.855 410 Q CB -0.104 28.323 28.738 -0.518 0.000 0.911 410 Q HN 0.572 nan 8.270 nan 0.000 0.438 411 I N 0.486 120.963 120.570 -0.156 0.000 2.333 411 I HA -0.178 3.993 4.170 0.001 0.000 0.246 411 I C 1.834 177.942 176.117 -0.015 0.000 1.106 411 I CA 1.213 62.468 61.300 -0.075 0.000 1.411 411 I CB -0.035 37.931 38.000 -0.057 0.000 1.082 411 I HN 0.074 nan 8.210 nan 0.000 0.420 412 E N -0.253 119.956 120.200 0.015 0.000 2.153 412 E HA -0.174 4.177 4.350 0.001 0.000 0.194 412 E C 2.071 178.705 176.600 0.057 0.000 0.988 412 E CA 1.620 58.057 56.400 0.062 0.000 0.811 412 E CB -0.156 29.601 29.700 0.096 0.000 0.746 412 E HN 0.423 nan 8.360 nan 0.000 0.466 413 T N 0.341 114.913 114.554 0.030 0.000 2.701 413 T HA -0.119 4.231 4.350 0.001 0.000 0.263 413 T C 2.042 176.757 174.700 0.025 0.000 1.040 413 T CA 1.167 63.287 62.100 0.033 0.000 1.147 413 T CB -0.142 68.739 68.868 0.022 0.000 0.865 413 T HN -0.010 nan 8.240 nan 0.000 0.426 414 V N 1.636 121.547 119.914 -0.005 0.000 2.427 414 V HA -0.099 4.022 4.120 0.001 0.000 0.248 414 V C 2.827 179.002 176.094 0.135 0.000 1.051 414 V CA 1.522 63.816 62.300 -0.009 0.000 1.048 414 V CB -1.149 30.614 31.823 -0.101 0.000 0.666 414 V HN 0.505 nan 8.190 nan 0.000 0.456 415 A N -0.274 122.604 122.820 0.096 0.000 1.898 415 A HA -0.189 4.131 4.320 0.001 0.000 0.216 415 A C 2.293 179.943 177.584 0.110 0.000 1.181 415 A CA 1.625 53.722 52.037 0.100 0.000 0.620 415 A CB -0.388 18.656 19.000 0.074 0.000 0.819 415 A HN 0.499 nan 8.150 nan 0.000 0.442 416 K N -0.556 119.901 120.400 0.095 0.000 2.283 416 K HA -0.136 4.185 4.320 0.001 0.000 0.202 416 K C 2.141 178.778 176.600 0.061 0.000 1.048 416 K CA 1.366 57.699 56.287 0.078 0.000 0.948 416 K CB -0.121 32.416 32.500 0.062 0.000 0.742 416 K HN 0.614 nan 8.250 nan 0.000 0.458 417 Q N -0.236 119.613 119.800 0.081 0.000 2.172 417 Q HA -0.049 4.292 4.340 0.001 0.000 0.200 417 Q C 0.331 176.297 176.000 -0.057 0.000 0.964 417 Q CA 0.346 56.179 55.803 0.049 0.000 0.855 417 Q CB -0.007 28.801 28.738 0.116 0.000 0.918 417 Q HN 0.148 nan 8.270 nan 0.000 0.444 418 F N 3.472 123.287 119.950 -0.225 0.000 2.608 418 F HA 0.034 4.562 4.527 0.001 0.000 0.380 418 F C -1.914 173.704 175.800 -0.303 0.000 1.083 418 F CA -2.536 55.175 58.000 -0.483 0.000 1.266 418 F CB 0.572 39.310 39.000 -0.436 0.000 1.076 418 F HN -0.033 nan 8.300 nan 0.000 0.574 419 P HA 0.137 nan 4.420 nan 0.000 0.261 419 P C 0.481 177.598 177.300 -0.305 0.000 1.203 419 P CA 1.192 63.961 63.100 -0.553 0.000 0.767 419 P CB 0.455 31.763 31.700 -0.652 0.000 0.785 420 G N 3.272 112.003 108.800 -0.115 0.000 2.238 420 G HA2 -0.199 3.762 3.960 0.001 0.000 0.217 420 G HA3 -0.199 3.762 3.960 0.001 0.000 0.217 420 G C 0.031 174.973 174.900 0.070 0.000 0.996 420 G CA -0.460 44.636 45.100 -0.006 0.000 0.632 420 G HN 0.494 nan 8.290 nan 0.000 0.503 421 I N 2.904 123.526 120.570 0.086 0.000 2.312 421 I HA 0.307 4.477 4.170 0.001 0.000 0.291 421 I C 1.720 177.892 176.117 0.091 0.000 1.031 421 I CA 0.213 61.590 61.300 0.129 0.000 1.293 421 I CB 1.628 39.704 38.000 0.126 0.000 1.403 421 I HN 0.238 nan 8.210 nan 0.000 0.484 422 S N 3.225 118.986 115.700 0.101 0.000 2.404 422 S HA 0.109 4.580 4.470 0.001 0.000 0.223 422 S C 0.396 175.039 174.600 0.073 0.000 1.040 422 S CA 0.157 58.398 58.200 0.068 0.000 0.957 422 S CB 0.246 63.480 63.200 0.057 0.000 0.826 422 S HN 0.650 nan 8.310 nan 0.000 0.491 423 D N -0.076 120.386 120.400 0.104 0.000 2.753 423 D HA 0.728 5.369 4.640 0.001 0.000 0.224 423 D C -1.671 174.721 176.300 0.153 0.000 1.213 423 D CA -0.189 53.872 54.000 0.102 0.000 0.833 423 D CB 2.256 43.101 40.800 0.074 0.000 1.607 423 D HN 0.380 nan 8.370 nan 0.000 0.463 424 A N 1.460 124.368 122.820 0.146 0.000 2.520 424 A HA 0.670 4.991 4.320 0.001 0.000 0.298 424 A C -1.679 175.998 177.584 0.154 0.000 1.051 424 A CA -0.663 51.488 52.037 0.191 0.000 0.690 424 A CB 1.800 20.925 19.000 0.208 0.000 1.281 424 A HN 0.360 nan 8.150 nan 0.000 0.402 425 V N 1.765 121.786 119.914 0.178 0.000 2.638 425 V HA 0.579 4.699 4.120 0.001 0.000 0.306 425 V C -0.818 175.383 176.094 0.179 0.000 1.052 425 V CA -0.525 61.864 62.300 0.149 0.000 0.885 425 V CB 1.346 33.233 31.823 0.106 0.000 0.999 425 V HN 1.404 nan 8.190 nan 0.000 0.424 426 C N 8.243 127.623 119.300 0.134 0.000 2.255 426 C HA 0.814 5.275 4.460 0.001 0.000 0.326 426 C C -0.069 174.987 174.990 0.111 0.000 1.258 426 C CA -0.189 58.896 59.018 0.111 0.000 1.676 426 C CB -0.388 27.389 27.740 0.062 0.000 2.314 426 C HN 0.968 nan 8.230 nan 0.000 0.509 427 V N 4.096 124.093 119.914 0.138 0.000 2.994 427 V HA 0.885 5.005 4.120 0.001 0.000 0.318 427 V C 0.570 176.725 176.094 0.102 0.000 1.085 427 V CA -0.269 62.104 62.300 0.121 0.000 0.998 427 V CB 1.368 33.274 31.823 0.138 0.000 1.063 427 V HN 1.015 nan 8.190 nan 0.000 0.447 428 G N 0.438 109.287 108.800 0.082 0.000 2.439 428 G HA2 0.332 4.293 3.960 0.001 0.000 0.298 428 G HA3 0.332 4.293 3.960 0.001 0.000 0.298 428 G C -0.326 174.623 174.900 0.081 0.000 1.044 428 G CA -0.057 45.084 45.100 0.068 0.000 1.168 428 G HN 1.133 nan 8.290 nan 0.000 0.433 429 H N 3.846 122.902 119.070 -0.022 0.000 2.646 429 H HA 0.351 4.908 4.556 0.001 0.000 0.325 429 H C -2.132 173.164 175.328 -0.053 0.000 1.075 429 H CA -1.580 54.431 56.048 -0.062 0.000 1.421 429 H CB 1.167 30.821 29.762 -0.179 0.000 1.461 429 H HN 0.205 nan 8.280 nan 0.000 0.525 430 P HA 0.022 nan 4.420 nan 0.000 0.261 430 P C -0.814 176.316 177.300 -0.284 0.000 1.203 430 P CA 0.447 63.350 63.100 -0.330 0.000 0.767 430 P CB 0.523 32.034 31.700 -0.315 0.000 0.785 431 D N 1.266 121.621 120.400 -0.075 0.000 2.497 431 D HA 0.303 4.943 4.640 0.001 0.000 0.243 431 D C 0.061 176.379 176.300 0.030 0.000 1.039 431 D CA -0.435 53.582 54.000 0.028 0.000 1.052 431 D CB 1.341 42.225 40.800 0.142 0.000 1.344 431 D HN 0.310 nan 8.370 nan 0.000 0.553 432 D N -0.835 119.596 120.400 0.051 0.000 2.562 432 D HA 0.088 4.728 4.640 0.001 0.000 0.246 432 D C 0.322 176.627 176.300 0.008 0.000 1.347 432 D CA 0.040 54.054 54.000 0.023 0.000 0.800 432 D CB 0.727 41.533 40.800 0.010 0.000 1.111 432 D HN 0.273 nan 8.370 nan 0.000 0.508 433 T N -1.082 113.487 114.554 0.026 0.000 3.058 433 T HA 0.079 4.429 4.350 0.001 0.000 0.247 433 T C 0.885 175.464 174.700 -0.202 0.000 0.987 433 T CA 0.047 62.090 62.100 -0.094 0.000 1.062 433 T CB 0.136 68.951 68.868 -0.088 0.000 1.048 433 T HN 0.119 nan 8.240 nan 0.000 0.468 434 W N 1.339 122.655 121.300 0.026 0.000 3.220 434 W HA 0.487 5.148 4.660 0.001 0.000 0.328 434 W C 1.821 178.350 176.519 0.016 0.000 1.205 434 W CA 0.149 57.508 57.345 0.024 0.000 1.773 434 W CB 0.317 29.800 29.460 0.038 0.000 1.086 434 W HN 0.556 nan 8.180 nan 0.000 0.622 435 G N 0.296 109.202 108.800 0.178 0.000 4.365 435 G HA2 -0.266 3.695 3.960 0.001 0.000 0.214 435 G HA3 -0.266 3.695 3.960 0.001 0.000 0.214 435 G C 0.342 175.302 174.900 0.100 0.000 1.450 435 G CA 0.199 45.364 45.100 0.109 0.000 0.937 435 G HN 0.228 nan 8.290 nan 0.000 0.625 436 Q N 0.012 119.891 119.800 0.131 0.000 2.397 436 Q HA 0.587 4.928 4.340 0.001 0.000 0.275 436 Q C -0.553 175.515 176.000 0.114 0.000 1.090 436 Q CA -0.467 55.391 55.803 0.092 0.000 0.809 436 Q CB 3.263 32.036 28.738 0.057 0.000 1.362 436 Q HN 0.971 nan 8.270 nan 0.000 0.431 437 V N -0.915 119.058 119.914 0.099 0.000 2.715 437 V HA 0.670 4.791 4.120 0.001 0.000 0.310 437 V C -2.701 173.418 176.094 0.042 0.000 1.054 437 V CA -2.828 59.514 62.300 0.071 0.000 0.928 437 V CB 1.312 33.227 31.823 0.154 0.000 1.007 437 V HN 0.604 nan 8.190 nan 0.000 0.437 438 P HA 0.387 nan 4.420 nan 0.000 0.276 438 P C -1.059 176.188 177.300 -0.088 0.000 1.230 438 P CA -0.228 62.844 63.100 -0.046 0.000 0.776 438 P CB 0.605 32.247 31.700 -0.097 0.000 0.888 439 K N 3.175 123.527 120.400 -0.079 0.000 2.463 439 K HA 0.455 4.776 4.320 0.001 0.000 0.255 439 K C -1.398 175.105 176.600 -0.162 0.000 0.942 439 K CA -0.909 55.261 56.287 -0.195 0.000 0.814 439 K CB 0.820 33.194 32.500 -0.211 0.000 1.122 439 K HN 0.238 nan 8.250 nan 0.000 0.425 440 L N 5.415 126.467 121.223 -0.287 0.000 2.260 440 L HA 0.348 4.689 4.340 0.001 0.000 0.289 440 L C -1.566 175.285 176.870 -0.031 0.000 1.057 440 L CA -0.052 54.756 54.840 -0.054 0.000 0.811 440 L CB 0.211 42.300 42.059 0.051 0.000 1.184 440 L HN 0.552 nan 8.230 nan 0.000 0.429 441 Y N 6.083 126.457 120.300 0.123 0.000 2.335 441 Y HA 0.504 5.055 4.550 0.001 0.000 0.339 441 Y C -0.254 175.746 175.900 0.166 0.000 0.987 441 Y CA -0.285 57.862 58.100 0.079 0.000 1.140 441 Y CB 1.000 39.468 38.460 0.012 0.000 1.173 441 Y HN 0.538 nan 8.280 nan 0.000 0.486 442 F N 0.805 120.857 119.950 0.170 0.000 2.565 442 F HA 0.838 5.366 4.527 0.001 0.000 0.313 442 F C -1.670 174.190 175.800 0.100 0.000 1.091 442 F CA -1.570 56.501 58.000 0.118 0.000 0.915 442 F CB 0.709 39.760 39.000 0.086 0.000 1.208 442 F HN 0.051 nan 8.300 nan 0.000 0.453 443 V N 2.579 122.621 119.914 0.212 0.000 2.370 443 V HA 0.603 4.724 4.120 0.001 0.000 0.279 443 V C -0.400 175.820 176.094 0.210 0.000 1.029 443 V CA -0.282 62.090 62.300 0.120 0.000 0.870 443 V CB 1.100 32.971 31.823 0.079 0.000 0.984 443 V HN 0.943 nan 8.190 nan 0.000 0.451 444 S N 2.522 118.333 115.700 0.185 0.000 2.538 444 S HA 0.444 4.915 4.470 0.001 0.000 0.288 444 S C 0.518 175.184 174.600 0.110 0.000 1.108 444 S CA -0.496 57.824 58.200 0.199 0.000 0.971 444 S CB 2.099 65.497 63.200 0.331 0.000 1.041 444 S HN 0.864 nan 8.310 nan 0.000 0.483 445 E N 2.906 123.156 120.200 0.082 0.000 2.051 445 E HA 0.081 4.432 4.350 0.001 0.000 0.189 445 E C 0.902 177.532 176.600 0.050 0.000 0.979 445 E CA 0.994 57.424 56.400 0.051 0.000 0.803 445 E CB -0.032 29.686 29.700 0.032 0.000 0.761 445 E HN 0.502 nan 8.360 nan 0.000 0.451 446 S N -0.497 115.237 115.700 0.058 0.000 2.661 446 S HA 0.112 4.583 4.470 0.001 0.000 0.265 446 S C -0.515 174.128 174.600 0.072 0.000 1.225 446 S CA -0.587 57.641 58.200 0.047 0.000 0.986 446 S CB 0.506 63.721 63.200 0.026 0.000 1.008 446 S HN 0.125 nan 8.310 nan 0.000 0.565 447 D N 1.899 122.332 120.400 0.055 0.000 2.468 447 D HA 0.292 4.932 4.640 0.001 0.000 0.218 447 D C -0.451 175.893 176.300 0.073 0.000 1.155 447 D CA -0.241 53.795 54.000 0.061 0.000 0.924 447 D CB -0.168 40.653 40.800 0.035 0.000 1.029 447 D HN 0.296 nan 8.370 nan 0.000 0.515 448 I N 1.769 122.406 120.570 0.111 0.000 2.471 448 I HA -0.003 4.168 4.170 0.001 0.000 0.286 448 I C 0.989 177.116 176.117 0.017 0.000 1.079 448 I CA -0.124 61.229 61.300 0.087 0.000 1.398 448 I CB 0.607 38.645 38.000 0.063 0.000 1.403 448 I HN 0.179 nan 8.210 nan 0.000 0.530 449 S N 6.284 121.982 115.700 -0.004 0.000 2.448 449 S HA 0.123 4.594 4.470 0.001 0.000 0.279 449 S C 1.183 175.661 174.600 -0.204 0.000 1.195 449 S CA -0.456 57.709 58.200 -0.058 0.000 1.051 449 S CB 0.457 63.652 63.200 -0.008 0.000 0.948 449 S HN 0.672 nan 8.310 nan 0.000 0.493 450 K N 4.045 124.316 120.400 -0.216 0.000 2.057 450 K HA -0.090 4.230 4.320 0.001 0.000 0.207 450 K C 2.153 178.520 176.600 -0.389 0.000 1.049 450 K CA 1.455 57.519 56.287 -0.371 0.000 0.931 450 K CB -0.428 31.929 32.500 -0.239 0.000 0.714 450 K HN 0.802 nan 8.250 nan 0.000 0.440 451 A N 0.825 123.515 122.820 -0.217 0.000 1.933 451 A HA -0.216 4.105 4.320 0.001 0.000 0.218 451 A C 1.982 179.483 177.584 -0.138 0.000 1.175 451 A CA 1.442 53.387 52.037 -0.153 0.000 0.628 451 A CB -0.452 18.500 19.000 -0.080 0.000 0.814 451 A HN 0.414 nan 8.150 nan 0.000 0.444 452 Q N -1.270 118.462 119.800 -0.114 0.000 2.079 452 Q HA -0.119 4.222 4.340 0.001 0.000 0.200 452 Q C 2.079 177.998 176.000 -0.135 0.000 0.974 452 Q CA 1.335 57.136 55.803 -0.004 0.000 0.840 452 Q CB -0.265 28.568 28.738 0.159 0.000 0.898 452 Q HN 0.577 nan 8.270 nan 0.000 0.430 453 L N 0.731 121.587 121.223 -0.612 0.000 2.017 453 L HA -0.160 4.181 4.340 0.001 0.000 0.208 453 L C 1.917 178.488 176.870 -0.498 0.000 1.073 453 L CA 1.580 55.809 54.840 -1.018 0.000 0.745 453 L CB -0.429 40.841 42.059 -1.315 0.000 0.894 453 L HN 0.199 nan 8.230 nan 0.000 0.432 454 I N -0.254 120.046 120.570 -0.451 0.000 2.127 454 I HA -0.350 3.821 4.170 0.001 0.000 0.241 454 I C 2.592 178.668 176.117 -0.069 0.000 1.075 454 I CA 1.514 62.684 61.300 -0.215 0.000 1.334 454 I CB -0.697 37.200 38.000 -0.172 0.000 1.040 454 I HN 0.362 nan 8.210 nan 0.000 0.405 455 A N -0.363 122.432 122.820 -0.041 0.000 1.978 455 A HA -0.283 4.037 4.320 0.001 0.000 0.220 455 A C 2.277 179.926 177.584 0.108 0.000 1.170 455 A CA 1.644 53.700 52.037 0.033 0.000 0.636 455 A CB -0.961 18.067 19.000 0.046 0.000 0.810 455 A HN 0.545 nan 8.150 nan 0.000 0.448 456 Y N -0.165 120.145 120.300 0.017 0.000 2.184 456 Y HA -0.104 4.447 4.550 0.001 0.000 0.290 456 Y C 1.955 177.922 175.900 0.111 0.000 1.129 456 Y CA 1.364 59.532 58.100 0.114 0.000 1.144 456 Y CB -0.288 38.289 38.460 0.195 0.000 0.995 456 Y HN 0.190 nan 8.280 nan 0.000 0.513 457 L N -0.266 120.973 121.223 0.026 0.000 2.079 457 L HA -0.226 4.115 4.340 0.001 0.000 0.210 457 L C 2.477 179.315 176.870 -0.054 0.000 1.081 457 L CA 1.977 56.793 54.840 -0.040 0.000 0.752 457 L CB -1.530 40.537 42.059 0.014 0.000 0.896 457 L HN 0.190 nan 8.230 nan 0.000 0.433 458 S N -1.102 114.579 115.700 -0.032 0.000 2.402 458 S HA -0.161 4.310 4.470 0.001 0.000 0.229 458 S C 1.956 176.517 174.600 -0.064 0.000 1.021 458 S CA 0.896 59.071 58.200 -0.042 0.000 0.974 458 S CB -0.074 63.113 63.200 -0.022 0.000 0.800 458 S HN 0.391 nan 8.310 nan 0.000 0.484 459 K N 0.012 120.370 120.400 -0.070 0.000 2.155 459 K HA -0.042 4.279 4.320 0.001 0.000 0.203 459 K C 1.057 177.479 176.600 -0.296 0.000 1.052 459 K CA 1.086 57.279 56.287 -0.156 0.000 0.948 459 K CB -0.052 32.364 32.500 -0.140 0.000 0.728 459 K HN 0.418 nan 8.250 nan 0.000 0.448 460 H N -1.213 117.706 119.070 -0.251 0.000 2.652 460 H HA 0.294 4.851 4.556 0.001 0.000 0.274 460 H C -0.322 174.901 175.328 -0.175 0.000 1.021 460 H CA -0.050 55.859 56.048 -0.230 0.000 1.187 460 H CB 0.474 30.038 29.762 -0.329 0.000 1.505 460 H HN -0.068 nan 8.280 nan 0.000 0.530 461 L N -0.971 120.205 121.223 -0.079 0.000 2.301 461 L HA 0.734 5.074 4.340 0.001 0.000 0.249 461 L C -0.232 176.566 176.870 -0.121 0.000 1.069 461 L CA -1.694 53.077 54.840 -0.116 0.000 0.865 461 L CB 1.521 43.490 42.059 -0.150 0.000 1.467 461 L HN -0.008 nan 8.230 nan 0.000 0.419 462 A N 0.182 122.902 122.820 -0.166 0.000 2.302 462 A HA 0.286 4.607 4.320 0.001 0.000 0.285 462 A C 0.894 178.368 177.584 -0.183 0.000 1.105 462 A CA -0.263 51.698 52.037 -0.126 0.000 0.816 462 A CB 0.831 19.800 19.000 -0.052 0.000 1.067 462 A HN 0.775 nan 8.150 nan 0.000 0.489 463 K N 0.548 120.919 120.400 -0.048 0.000 2.074 463 K HA -0.220 4.100 4.320 0.001 0.000 0.209 463 K C 1.606 178.154 176.600 -0.086 0.000 1.048 463 K CA 2.518 58.780 56.287 -0.043 0.000 0.926 463 K CB -0.460 32.050 32.500 0.018 0.000 0.713 463 K HN 0.929 nan 8.250 nan 0.000 0.444 464 Y N -0.053 120.163 120.300 -0.139 0.000 2.352 464 Y HA -0.013 4.538 4.550 0.001 0.000 0.292 464 Y C 1.648 177.423 175.900 -0.209 0.000 1.136 464 Y CA 0.899 58.865 58.100 -0.223 0.000 1.227 464 Y CB -0.413 37.917 38.460 -0.218 0.000 0.991 464 Y HN -0.077 nan 8.280 nan 0.000 0.545 465 K N 0.746 120.675 120.400 -0.785 0.000 2.155 465 K HA 0.066 4.386 4.320 0.001 0.000 0.203 465 K C 0.313 176.733 176.600 -0.300 0.000 1.052 465 K CA 0.733 56.678 56.287 -0.570 0.000 0.948 465 K CB -0.114 32.026 32.500 -0.598 0.000 0.728 465 K HN 0.094 nan 8.250 nan 0.000 0.448 466 V N 4.490 124.261 119.914 -0.238 0.000 2.458 466 V HA 0.013 4.134 4.120 0.001 0.000 0.287 466 V C -2.166 173.847 176.094 -0.135 0.000 1.009 466 V CA -1.259 60.961 62.300 -0.132 0.000 1.091 466 V CB -0.059 31.717 31.823 -0.078 0.000 0.960 466 V HN 0.096 nan 8.190 nan 0.000 0.476 467 P HA 0.187 nan 4.420 nan 0.000 0.269 467 P C 0.304 177.397 177.300 -0.346 0.000 1.209 467 P CA -0.148 62.764 63.100 -0.313 0.000 0.776 467 P CB 0.666 32.044 31.700 -0.537 0.000 0.876 468 K N 0.285 120.476 120.400 -0.349 0.000 2.360 468 K HA 0.099 4.419 4.320 0.001 0.000 0.196 468 K C -0.145 176.101 176.600 -0.590 0.000 1.049 468 K CA 0.183 56.273 56.287 -0.328 0.000 1.049 468 K CB 0.169 32.518 32.500 -0.253 0.000 0.881 468 K HN 0.605 nan 8.250 nan 0.000 0.542 469 H N -0.567 118.142 119.070 -0.601 0.000 2.505 469 H HA 0.360 4.917 4.556 0.001 0.000 0.338 469 H C -1.234 173.599 175.328 -0.824 0.000 1.057 469 H CA -0.459 55.265 56.048 -0.541 0.000 1.202 469 H CB 0.830 30.299 29.762 -0.487 0.000 1.466 469 H HN -0.151 nan 8.280 nan 0.000 0.499 470 F N 0.904 120.807 119.950 -0.078 0.000 2.556 470 F HA 0.377 4.905 4.527 0.001 0.000 0.314 470 F C -0.078 175.651 175.800 -0.118 0.000 1.106 470 F CA -0.709 57.266 58.000 -0.042 0.000 0.911 470 F CB 2.208 41.253 39.000 0.074 0.000 1.190 470 F HN 0.434 nan 8.300 nan 0.000 0.448 471 E N 2.357 122.502 120.200 -0.092 0.000 2.290 471 E HA 0.242 4.593 4.350 0.001 0.000 0.274 471 E C -1.473 174.809 176.600 -0.530 0.000 0.889 471 E CA -0.942 55.303 56.400 -0.258 0.000 0.760 471 E CB 1.904 31.387 29.700 -0.363 0.000 1.206 471 E HN 0.550 nan 8.360 nan 0.000 0.419 472 K N 3.940 124.011 120.400 -0.548 0.000 2.273 472 K HA 0.228 4.549 4.320 0.001 0.000 0.287 472 K C -0.511 175.894 176.600 -0.325 0.000 1.089 472 K CA -0.471 55.357 56.287 -0.765 0.000 0.909 472 K CB 0.503 32.735 32.500 -0.446 0.000 1.123 472 K HN 0.328 nan 8.250 nan 0.000 0.473 473 V N 1.192 120.951 119.914 -0.259 0.000 2.472 473 V HA 0.286 4.406 4.120 0.001 0.000 0.290 473 V C 0.109 176.162 176.094 -0.067 0.000 1.037 473 V CA -0.585 61.665 62.300 -0.083 0.000 0.908 473 V CB 1.704 33.530 31.823 0.004 0.000 0.985 473 V HN 0.646 nan 8.190 nan 0.000 0.454 474 D N 1.722 122.098 120.400 -0.039 0.000 2.120 474 D HA 0.069 4.710 4.640 0.001 0.000 0.202 474 D C 1.149 177.442 176.300 -0.012 0.000 0.972 474 D CA 1.610 55.597 54.000 -0.021 0.000 0.837 474 D CB 0.135 40.926 40.800 -0.015 0.000 0.989 474 D HN 0.781 nan 8.370 nan 0.000 0.469 475 T N 0.000 114.545 114.554 -0.015 0.000 3.816 475 T HA 0.000 4.351 4.350 0.001 0.000 0.228 475 T CA 0.000 62.092 62.100 -0.013 0.000 1.349 475 T CB 0.000 68.859 68.868 -0.014 0.000 0.612 475 T HN 0.000 nan 8.240 nan 0.000 0.658