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 2d41_1_A DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSAGLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIMA KNEVFCVQXX DATA SEQUENCE XXXRKPARLI VFPDLGVRVC EKMALYDVVS TLPQVVMGSS YGFQYSPGQR DATA SEQUENCE VEFLVNTWKS KKNPMGFSYD TRCFDSTVTE NDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIKSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAS DATA SEQUENCE AAcRAAKLQD cTMLVNGDDL VVICESAGTQ EDAASLRVFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFSLHSYSPG EINRVASCLR KLGVPPLRVW DATA SEQUENCE RHRARSVRAR LLSQGGRAAT CGKYLFNWAV KTKLKLTPIP AASQLDLSGW DATA SEQUENCE FVAGYSGGDI YHS 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.580 174.600 -0.034 0.000 1.055 1 S CA 0.000 58.186 58.200 -0.024 0.000 1.107 1 S CB 0.000 63.179 63.200 -0.034 0.000 0.593 2 M N 3.928 123.503 119.600 -0.041 0.000 2.217 2 M HA 0.238 4.717 4.480 -0.001 0.000 0.354 2 M C 1.944 178.147 176.300 -0.161 0.000 1.225 2 M CA 0.047 55.312 55.300 -0.057 0.000 1.137 2 M CB 0.688 33.277 32.600 -0.018 0.000 1.576 2 M HN 0.880 nan 8.290 nan 0.000 0.461 3 S N 2.601 118.138 115.700 -0.272 0.000 2.383 3 S HA -0.101 4.368 4.470 -0.001 0.000 0.229 3 S C 0.092 174.297 174.600 -0.658 0.000 1.030 3 S CA 1.028 58.929 58.200 -0.498 0.000 1.002 3 S CB -0.198 62.600 63.200 -0.670 0.000 0.829 3 S HN 0.652 nan 8.310 nan 0.000 0.467 4 Y N 0.346 120.505 120.300 -0.234 0.000 2.625 4 Y HA 0.558 5.107 4.550 -0.001 0.000 0.338 4 Y C -0.224 175.411 175.900 -0.442 0.000 1.123 4 Y CA -0.889 56.961 58.100 -0.416 0.000 1.046 4 Y CB 1.833 39.921 38.460 -0.620 0.000 1.299 4 Y HN 0.132 nan 8.280 nan 0.000 0.464 5 T N -2.431 111.862 114.554 -0.436 0.000 2.893 5 T HA 0.712 5.061 4.350 -0.001 0.000 0.293 5 T C -1.485 172.901 174.700 -0.523 0.000 1.027 5 T CA -0.831 61.090 62.100 -0.300 0.000 0.988 5 T CB 1.220 70.031 68.868 -0.096 0.000 1.043 5 T HN 0.519 nan 8.240 nan 0.000 0.461 6 W N 0.764 122.112 121.300 0.080 0.000 2.781 6 W HA 0.537 5.196 4.660 -0.001 0.000 0.345 6 W C 1.435 177.979 176.519 0.041 0.000 1.085 6 W CA -0.596 56.781 57.345 0.053 0.000 1.198 6 W CB 1.962 31.437 29.460 0.025 0.000 1.423 6 W HN 0.898 nan 8.180 nan 0.000 0.532 7 T N -2.774 111.950 114.554 0.283 0.000 3.031 7 T HA 0.356 4.705 4.350 -0.001 0.000 0.254 7 T C 1.367 176.150 174.700 0.140 0.000 1.060 7 T CA 1.028 63.225 62.100 0.163 0.000 1.135 7 T CB 0.025 68.966 68.868 0.121 0.000 0.896 7 T HN 1.228 nan 8.240 nan 0.000 0.472 8 G N 1.209 110.103 108.800 0.156 0.000 2.380 8 G HA2 0.111 4.070 3.960 -0.001 0.000 0.197 8 G HA3 0.111 4.070 3.960 -0.001 0.000 0.197 8 G C 0.360 175.292 174.900 0.053 0.000 1.001 8 G CA -0.146 45.003 45.100 0.081 0.000 0.668 8 G HN 1.040 nan 8.290 nan 0.000 0.483 9 A N 1.184 124.049 122.820 0.075 0.000 2.511 9 A HA 0.625 4.944 4.320 -0.001 0.000 0.242 9 A C 0.836 178.441 177.584 0.035 0.000 1.069 9 A CA 0.234 52.302 52.037 0.052 0.000 0.763 9 A CB 0.120 19.158 19.000 0.063 0.000 1.001 9 A HN 0.856 nan 8.150 nan 0.000 0.498 10 L N 1.794 123.021 121.223 0.007 0.000 2.464 10 L HA 0.229 4.568 4.340 -0.001 0.000 0.264 10 L C 0.231 177.096 176.870 -0.008 0.000 1.199 10 L CA -0.180 54.648 54.840 -0.020 0.000 0.818 10 L CB 0.495 42.542 42.059 -0.021 0.000 1.102 10 L HN 0.559 nan 8.230 nan 0.000 0.473 11 I N 1.595 122.146 120.570 -0.033 0.000 2.294 11 I HA 0.064 4.234 4.170 -0.001 0.000 0.295 11 I C 0.572 176.688 176.117 -0.001 0.000 1.098 11 I CA -0.201 61.093 61.300 -0.009 0.000 1.277 11 I CB 0.557 38.536 38.000 -0.034 0.000 1.434 11 I HN 0.666 nan 8.210 nan 0.000 0.498 12 T N 5.061 119.622 114.554 0.012 0.000 2.904 12 T HA 0.450 4.799 4.350 -0.001 0.000 0.290 12 T C -2.242 172.473 174.700 0.025 0.000 1.018 12 T CA -1.613 60.496 62.100 0.015 0.000 1.075 12 T CB 1.347 70.223 68.868 0.014 0.000 0.986 12 T HN 0.280 nan 8.240 nan 0.000 0.523 13 P HA 0.263 nan 4.420 nan 0.000 0.279 13 P C 0.052 177.374 177.300 0.037 0.000 1.252 13 P CA -0.739 62.383 63.100 0.036 0.000 0.811 13 P CB 1.190 32.911 31.700 0.035 0.000 1.035 14 C N 0.792 120.118 119.300 0.044 0.000 3.038 14 C HA 0.685 5.145 4.460 -0.001 0.000 0.279 14 C C 0.497 175.508 174.990 0.036 0.000 1.276 14 C CA 0.497 59.540 59.018 0.041 0.000 1.697 14 C CB -1.563 26.211 27.740 0.056 0.000 2.032 14 C HN 0.735 nan 8.230 nan 0.000 0.636 15 A N -0.140 122.702 122.820 0.037 0.000 2.566 15 A HA 0.681 5.001 4.320 -0.001 0.000 0.290 15 A C -0.497 177.113 177.584 0.044 0.000 1.071 15 A CA 0.140 52.199 52.037 0.038 0.000 0.658 15 A CB -0.336 18.687 19.000 0.039 0.000 1.285 15 A HN 1.169 nan 8.150 nan 0.000 0.427 16 A N 0.320 123.167 122.820 0.046 0.000 2.565 16 A HA 0.472 4.791 4.320 -0.001 0.000 0.237 16 A C 0.117 177.743 177.584 0.070 0.000 1.053 16 A CA 0.773 52.842 52.037 0.053 0.000 0.755 16 A CB -0.319 18.712 19.000 0.052 0.000 0.980 16 A HN 0.629 nan 8.150 nan 0.000 0.506 17 E N 1.337 121.583 120.200 0.076 0.000 2.199 17 E HA 0.372 4.721 4.350 -0.001 0.000 0.269 17 E C -0.959 175.720 176.600 0.132 0.000 0.899 17 E CA -0.468 55.991 56.400 0.098 0.000 0.772 17 E CB 1.856 31.604 29.700 0.079 0.000 1.155 17 E HN 0.751 nan 8.360 nan 0.000 0.408 18 E N 0.931 121.252 120.200 0.202 0.000 2.166 18 E HA 0.161 4.510 4.350 -0.001 0.000 0.275 18 E C 0.141 176.958 176.600 0.361 0.000 0.941 18 E CA -0.176 56.388 56.400 0.272 0.000 0.784 18 E CB 1.534 31.440 29.700 0.342 0.000 1.115 18 E HN 0.568 nan 8.360 nan 0.000 0.399 19 S N 2.180 118.064 115.700 0.307 0.000 2.545 19 S HA 0.028 4.498 4.470 -0.001 0.000 0.232 19 S C 0.376 175.232 174.600 0.426 0.000 1.070 19 S CA -0.240 58.158 58.200 0.330 0.000 0.923 19 S CB 0.005 63.338 63.200 0.222 0.000 0.806 19 S HN 0.238 nan 8.310 nan 0.000 0.506 20 K N 2.404 122.983 120.400 0.298 0.000 2.174 20 K HA 0.569 4.888 4.320 -0.001 0.000 0.275 20 K C -0.652 175.991 176.600 0.070 0.000 1.015 20 K CA -0.924 55.493 56.287 0.217 0.000 0.933 20 K CB 0.051 32.617 32.500 0.110 0.000 1.025 20 K HN 0.182 nan 8.250 nan 0.000 0.463 21 L N 3.513 124.770 121.223 0.055 0.000 2.615 21 L HA 0.144 4.483 4.340 -0.001 0.000 0.271 21 L C -2.325 174.283 176.870 -0.437 0.000 1.183 21 L CA -1.032 53.651 54.840 -0.261 0.000 0.933 21 L CB -0.456 41.592 42.059 -0.018 0.000 1.199 21 L HN 0.570 nan 8.230 nan 0.000 0.487 22 P HA 0.233 nan 4.420 nan 0.000 0.271 22 P C -0.954 176.113 177.300 -0.388 0.000 1.218 22 P CA -0.039 62.758 63.100 -0.505 0.000 0.780 22 P CB 0.631 31.965 31.700 -0.611 0.000 0.901 23 I N 2.844 123.249 120.570 -0.274 0.000 2.509 23 I HA 0.382 4.551 4.170 -0.001 0.000 0.293 23 I C 0.218 176.233 176.117 -0.171 0.000 1.020 23 I CA -0.592 60.553 61.300 -0.258 0.000 1.088 23 I CB 1.746 39.597 38.000 -0.248 0.000 1.267 23 I HN 0.499 nan 8.210 nan 0.000 0.430 24 N N 3.936 122.547 118.700 -0.149 0.000 3.229 24 N HA 0.428 5.167 4.740 -0.001 0.000 0.315 24 N C 0.273 175.741 175.510 -0.069 0.000 1.520 24 N CA -0.488 52.504 53.050 -0.096 0.000 0.769 24 N CB 0.760 39.193 38.487 -0.091 0.000 1.766 24 N HN 0.404 nan 8.380 nan 0.000 0.618 25 A N -0.652 122.138 122.820 -0.050 0.000 2.216 25 A HA 0.146 4.465 4.320 -0.001 0.000 0.214 25 A C 1.567 179.131 177.584 -0.034 0.000 1.160 25 A CA 0.748 52.764 52.037 -0.036 0.000 0.725 25 A CB -0.930 18.050 19.000 -0.032 0.000 0.784 25 A HN 0.542 nan 8.150 nan 0.000 0.472 26 L N -1.703 119.496 121.223 -0.039 0.000 2.515 26 L HA 0.017 4.356 4.340 -0.001 0.000 0.223 26 L C 2.485 179.368 176.870 0.022 0.000 1.079 26 L CA 0.536 55.367 54.840 -0.014 0.000 0.857 26 L CB -0.268 41.769 42.059 -0.037 0.000 1.050 26 L HN 0.230 nan 8.230 nan 0.000 0.476 27 S N 0.937 116.619 115.700 -0.028 0.000 2.369 27 S HA -0.222 4.248 4.470 -0.001 0.000 0.225 27 S C 1.697 176.312 174.600 0.024 0.000 1.043 27 S CA 1.909 60.076 58.200 -0.054 0.000 1.074 27 S CB -0.443 62.632 63.200 -0.209 0.000 0.962 27 S HN 0.469 nan 8.310 nan 0.000 0.433 28 N N 1.541 120.284 118.700 0.073 0.000 2.205 28 N HA -0.094 4.645 4.740 -0.001 0.000 0.186 28 N C 1.941 177.470 175.510 0.031 0.000 1.015 28 N CA 1.438 54.557 53.050 0.115 0.000 0.862 28 N CB -0.636 37.907 38.487 0.094 0.000 0.986 28 N HN 0.638 nan 8.380 nan 0.000 0.429 29 S N -0.009 115.693 115.700 0.004 0.000 2.442 29 S HA -0.073 4.396 4.470 -0.001 0.000 0.236 29 S C 1.826 176.403 174.600 -0.038 0.000 1.007 29 S CA 0.541 58.709 58.200 -0.054 0.000 0.965 29 S CB -0.167 63.014 63.200 -0.032 0.000 0.773 29 S HN 0.240 nan 8.310 nan 0.000 0.504 30 L N -0.055 121.174 121.223 0.010 0.000 2.347 30 L HA 0.592 4.931 4.340 -0.001 0.000 0.196 30 L C 0.200 177.113 176.870 0.071 0.000 1.072 30 L CA 0.788 55.641 54.840 0.022 0.000 0.817 30 L CB 0.170 42.032 42.059 -0.330 0.000 1.029 30 L HN 0.516 nan 8.230 nan 0.000 0.478 31 L N -0.941 120.314 121.223 0.054 0.000 2.464 31 L HA 0.408 4.747 4.340 -0.001 0.000 0.266 31 L C 0.346 177.299 176.870 0.139 0.000 0.965 31 L CA -0.509 54.373 54.840 0.072 0.000 0.833 31 L CB 1.749 43.862 42.059 0.091 0.000 1.296 31 L HN 0.040 nan 8.230 nan 0.000 0.405 32 R N 1.195 121.683 120.500 -0.019 0.000 2.175 32 R HA 0.162 4.501 4.340 -0.001 0.000 0.202 32 R C 0.079 176.274 176.300 -0.175 0.000 1.018 32 R CA 0.242 56.275 56.100 -0.112 0.000 1.029 32 R CB 0.134 30.356 30.300 -0.130 0.000 0.959 32 R HN 0.652 nan 8.270 nan 0.000 0.480 33 H N 0.802 119.838 119.070 -0.058 0.000 2.998 33 H HA 0.073 4.628 4.556 -0.001 0.000 0.241 33 H C 0.473 175.849 175.328 0.081 0.000 1.852 33 H CA -0.341 55.684 56.048 -0.039 0.000 1.419 33 H CB -0.077 29.693 29.762 0.014 0.000 1.793 33 H HN 0.374 nan 8.280 nan 0.000 0.553 34 H N 0.816 119.975 119.070 0.148 0.000 2.387 34 H HA -0.144 4.412 4.556 -0.001 0.000 0.299 34 H C 1.407 176.806 175.328 0.118 0.000 1.099 34 H CA 0.535 56.645 56.048 0.104 0.000 1.315 34 H CB 0.313 30.112 29.762 0.061 0.000 1.380 34 H HN 0.537 nan 8.280 nan 0.000 0.513 35 N N 0.412 119.241 118.700 0.215 0.000 2.573 35 N HA -0.077 4.662 4.740 -0.001 0.000 0.187 35 N C 1.378 176.994 175.510 0.177 0.000 1.107 35 N CA 0.604 53.752 53.050 0.163 0.000 0.918 35 N CB 0.084 38.627 38.487 0.093 0.000 0.966 35 N HN 0.447 nan 8.380 nan 0.000 0.448 36 M N 0.072 119.792 119.600 0.201 0.000 2.388 36 M HA 0.073 4.553 4.480 -0.001 0.000 0.265 36 M C 0.362 176.830 176.300 0.279 0.000 1.088 36 M CA 0.443 55.869 55.300 0.210 0.000 1.134 36 M CB -0.059 32.661 32.600 0.200 0.000 1.384 36 M HN -0.238 nan 8.290 nan 0.000 0.447 37 V N 1.249 121.331 119.914 0.280 0.000 2.539 37 V HA 0.319 4.438 4.120 -0.001 0.000 0.292 37 V C -0.577 175.753 176.094 0.394 0.000 1.045 37 V CA -0.688 61.784 62.300 0.287 0.000 0.945 37 V CB 0.864 32.836 31.823 0.247 0.000 0.993 37 V HN 0.411 nan 8.190 nan 0.000 0.464 38 Y N 1.836 122.286 120.300 0.250 0.000 2.638 38 Y HA 0.891 5.441 4.550 -0.001 0.000 0.335 38 Y C -0.604 175.383 175.900 0.145 0.000 1.155 38 Y CA -1.430 56.824 58.100 0.258 0.000 1.046 38 Y CB 1.417 39.989 38.460 0.188 0.000 1.303 38 Y HN 0.738 nan 8.280 nan 0.000 0.460 39 A N 1.429 124.321 122.820 0.119 0.000 2.355 39 A HA 0.693 5.012 4.320 -0.001 0.000 0.317 39 A C -0.201 177.459 177.584 0.127 0.000 1.094 39 A CA -0.398 51.510 52.037 -0.215 0.000 0.764 39 A CB 0.619 19.264 19.000 -0.593 0.000 1.230 39 A HN 1.129 nan 8.150 nan 0.000 0.448 40 T N 0.130 114.748 114.554 0.107 0.000 2.918 40 T HA 0.576 4.925 4.350 -0.001 0.000 0.302 40 T C 0.410 175.173 174.700 0.105 0.000 1.045 40 T CA 0.395 62.620 62.100 0.210 0.000 1.114 40 T CB 0.804 69.812 68.868 0.234 0.000 0.965 40 T HN 1.453 nan 8.240 nan 0.000 0.540 41 T N -2.041 112.577 114.554 0.107 0.000 2.838 41 T HA 0.482 4.831 4.350 -0.001 0.000 0.292 41 T C 1.397 176.129 174.700 0.054 0.000 1.113 41 T CA -0.239 61.904 62.100 0.072 0.000 1.008 41 T CB 1.247 70.163 68.868 0.080 0.000 1.259 41 T HN 0.750 nan 8.240 nan 0.000 0.520 42 S N 0.047 115.771 115.700 0.040 0.000 2.469 42 S HA -0.127 4.342 4.470 -0.001 0.000 0.238 42 S C 1.795 176.400 174.600 0.008 0.000 0.998 42 S CA 0.480 58.693 58.200 0.021 0.000 0.957 42 S CB -0.707 62.505 63.200 0.019 0.000 0.764 42 S HN 0.715 nan 8.310 nan 0.000 0.514 43 R N 1.471 121.983 120.500 0.019 0.000 2.159 43 R HA -0.044 4.295 4.340 -0.001 0.000 0.237 43 R C 2.109 178.407 176.300 -0.004 0.000 1.131 43 R CA 1.511 57.616 56.100 0.008 0.000 0.982 43 R CB -0.432 29.880 30.300 0.021 0.000 0.868 43 R HN 0.742 nan 8.270 nan 0.000 0.453 44 S N -0.937 114.766 115.700 0.005 0.000 2.540 44 S HA 0.232 4.701 4.470 -0.001 0.000 0.218 44 S C 1.777 176.361 174.600 -0.028 0.000 0.977 44 S CA 0.169 58.365 58.200 -0.006 0.000 0.918 44 S CB 0.882 64.093 63.200 0.018 0.000 0.806 44 S HN 0.263 nan 8.310 nan 0.000 0.496 45 A N 2.259 125.055 122.820 -0.039 0.000 1.948 45 A HA 0.099 4.418 4.320 -0.001 0.000 0.220 45 A C 2.279 179.776 177.584 -0.145 0.000 1.177 45 A CA 1.729 53.719 52.037 -0.078 0.000 0.636 45 A CB -1.728 17.223 19.000 -0.082 0.000 0.815 45 A HN 0.644 nan 8.150 nan 0.000 0.449 46 G N -0.218 108.498 108.800 -0.141 0.000 2.446 46 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.217 46 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.217 46 G C 1.575 176.384 174.900 -0.151 0.000 1.168 46 G CA 1.094 46.086 45.100 -0.180 0.000 0.771 46 G HN 0.444 nan 8.290 nan 0.000 0.551 47 L N -0.217 120.952 121.223 -0.091 0.000 2.012 47 L HA -0.117 4.222 4.340 -0.001 0.000 0.210 47 L C 2.973 179.813 176.870 -0.050 0.000 1.073 47 L CA 1.578 56.383 54.840 -0.058 0.000 0.748 47 L CB -0.280 41.758 42.059 -0.036 0.000 0.891 47 L HN 0.183 nan 8.230 nan 0.000 0.431 48 R N 0.215 120.683 120.500 -0.053 0.000 2.081 48 R HA -0.179 4.160 4.340 -0.001 0.000 0.235 48 R C 2.211 178.480 176.300 -0.051 0.000 1.131 48 R CA 1.601 57.685 56.100 -0.026 0.000 0.960 48 R CB -0.427 29.863 30.300 -0.016 0.000 0.856 48 R HN 0.389 nan 8.270 nan 0.000 0.436 49 Q N -0.003 119.688 119.800 -0.182 0.000 2.135 49 Q HA -0.174 4.165 4.340 -0.001 0.000 0.204 49 Q C 1.869 177.808 176.000 -0.101 0.000 0.981 49 Q CA 1.841 57.457 55.803 -0.312 0.000 0.856 49 Q CB -0.083 28.179 28.738 -0.793 0.000 0.902 49 Q HN 0.342 nan 8.270 nan 0.000 0.425 50 K N 0.631 120.990 120.400 -0.070 0.000 2.103 50 K HA -0.085 4.235 4.320 -0.001 0.000 0.204 50 K C 1.923 178.597 176.600 0.123 0.000 1.052 50 K CA 0.836 57.141 56.287 0.029 0.000 0.945 50 K CB 0.027 32.527 32.500 0.000 0.000 0.722 50 K HN 0.151 nan 8.250 nan 0.000 0.443 51 K N 0.861 121.329 120.400 0.113 0.000 2.103 51 K HA -0.076 4.243 4.320 -0.001 0.000 0.204 51 K C 2.016 178.814 176.600 0.331 0.000 1.052 51 K CA 1.387 57.780 56.287 0.177 0.000 0.945 51 K CB -0.061 32.513 32.500 0.124 0.000 0.722 51 K HN 0.082 nan 8.250 nan 0.000 0.443 52 V N -1.209 118.880 119.914 0.290 0.000 3.623 52 V HA 0.049 4.168 4.120 -0.001 0.000 0.271 52 V C 0.381 176.633 176.094 0.263 0.000 1.248 52 V CA 0.277 62.785 62.300 0.346 0.000 1.156 52 V CB -0.165 31.837 31.823 0.298 0.000 0.870 52 V HN -0.034 nan 8.190 nan 0.000 0.453 53 T N 4.465 119.220 114.554 0.335 0.000 2.753 53 T HA 0.700 5.050 4.350 -0.001 0.000 0.297 53 T C -0.743 174.133 174.700 0.295 0.000 0.981 53 T CA -0.014 62.268 62.100 0.303 0.000 0.956 53 T CB 0.117 69.265 68.868 0.467 0.000 0.936 53 T HN 0.645 nan 8.240 nan 0.000 0.463 54 F N 0.008 120.063 119.950 0.175 0.000 2.773 54 F HA 0.663 5.190 4.527 -0.001 0.000 0.314 54 F C -1.134 174.704 175.800 0.065 0.000 1.160 54 F CA -1.778 56.285 58.000 0.105 0.000 0.920 54 F CB 0.738 39.788 39.000 0.085 0.000 1.323 54 F HN 0.252 nan 8.300 nan 0.000 0.457 55 D N 0.481 121.084 120.400 0.337 0.000 2.264 55 D HA 0.577 5.216 4.640 -0.001 0.000 0.249 55 D C -0.919 175.541 176.300 0.266 0.000 1.070 55 D CA -0.035 54.081 54.000 0.193 0.000 0.912 55 D CB 0.924 41.798 40.800 0.123 0.000 1.193 55 D HN 0.586 nan 8.370 nan 0.000 0.427 56 R N 1.973 122.558 120.500 0.142 0.000 2.637 56 R HA 0.713 5.052 4.340 -0.001 0.000 0.291 56 R C -1.156 175.179 176.300 0.057 0.000 0.963 56 R CA -0.761 55.418 56.100 0.130 0.000 0.901 56 R CB 1.235 31.584 30.300 0.081 0.000 1.160 56 R HN 0.337 nan 8.270 nan 0.000 0.457 57 L N 1.202 122.449 121.223 0.041 0.000 2.401 57 L HA 0.507 4.846 4.340 -0.001 0.000 0.266 57 L C -1.028 175.838 176.870 -0.007 0.000 0.991 57 L CA -0.248 54.598 54.840 0.010 0.000 0.818 57 L CB 2.226 44.288 42.059 0.005 0.000 1.321 57 L HN 0.545 nan 8.230 nan 0.000 0.413 58 Q N 2.043 121.829 119.800 -0.023 0.000 2.305 58 Q HA 0.688 5.028 4.340 -0.001 0.000 0.271 58 Q C -1.707 174.265 176.000 -0.048 0.000 1.046 58 Q CA -0.693 55.086 55.803 -0.039 0.000 0.798 58 Q CB 3.258 31.957 28.738 -0.066 0.000 1.286 58 Q HN 0.350 nan 8.270 nan 0.000 0.435 59 V N 4.235 124.124 119.914 -0.042 0.000 2.409 59 V HA 0.402 4.521 4.120 -0.001 0.000 0.290 59 V C -0.676 175.411 176.094 -0.012 0.000 1.017 59 V CA -0.515 61.763 62.300 -0.037 0.000 0.841 59 V CB 1.322 33.118 31.823 -0.044 0.000 1.003 59 V HN 0.610 nan 8.190 nan 0.000 0.426 60 L N 5.623 126.807 121.223 -0.064 0.000 2.272 60 L HA 0.585 4.925 4.340 -0.001 0.000 0.289 60 L C -0.013 176.880 176.870 0.038 0.000 1.032 60 L CA -0.573 54.200 54.840 -0.112 0.000 0.810 60 L CB 1.429 43.291 42.059 -0.329 0.000 1.205 60 L HN 0.679 nan 8.230 nan 0.000 0.422 61 D N 0.531 121.027 120.400 0.159 0.000 2.564 61 D HA 0.124 4.764 4.640 -0.001 0.000 0.273 61 D C 0.317 176.694 176.300 0.128 0.000 1.192 61 D CA -0.633 53.441 54.000 0.123 0.000 1.080 61 D CB 0.753 41.624 40.800 0.118 0.000 1.160 61 D HN 0.281 nan 8.370 nan 0.000 0.607 62 D N -1.443 118.973 120.400 0.027 0.000 2.219 62 D HA -0.126 4.514 4.640 -0.001 0.000 0.205 62 D C 1.680 178.007 176.300 0.045 0.000 0.970 62 D CA 0.925 54.925 54.000 -0.000 0.000 0.851 62 D CB -0.081 40.670 40.800 -0.081 0.000 0.943 62 D HN 0.391 nan 8.370 nan 0.000 0.488 63 H N -0.335 118.803 119.070 0.112 0.000 2.357 63 H HA -0.133 4.423 4.556 -0.001 0.000 0.301 63 H C 1.947 177.318 175.328 0.071 0.000 1.082 63 H CA 0.834 56.940 56.048 0.097 0.000 1.342 63 H CB -0.593 29.252 29.762 0.139 0.000 1.389 63 H HN 0.291 nan 8.280 nan 0.000 0.511 64 Y N 1.912 122.260 120.300 0.080 0.000 2.145 64 Y HA -0.213 4.337 4.550 -0.001 0.000 0.286 64 Y C 2.622 178.474 175.900 -0.080 0.000 1.145 64 Y CA 1.631 59.647 58.100 -0.140 0.000 1.148 64 Y CB -0.089 38.198 38.460 -0.287 0.000 0.981 64 Y HN -0.050 nan 8.280 nan 0.000 0.507 65 R N 0.016 120.554 120.500 0.064 0.000 2.115 65 R HA -0.138 4.201 4.340 -0.001 0.000 0.230 65 R C 1.724 177.987 176.300 -0.061 0.000 1.111 65 R CA 1.342 57.424 56.100 -0.029 0.000 0.976 65 R CB -0.267 30.069 30.300 0.061 0.000 0.870 65 R HN 0.424 nan 8.270 nan 0.000 0.445 66 D N 0.064 120.459 120.400 -0.008 0.000 2.117 66 D HA -0.105 4.535 4.640 -0.001 0.000 0.198 66 D C 1.948 178.229 176.300 -0.031 0.000 0.982 66 D CA 0.991 54.992 54.000 0.002 0.000 0.828 66 D CB -0.075 40.761 40.800 0.060 0.000 0.967 66 D HN -0.005 nan 8.370 nan 0.000 0.464 67 V N 1.229 121.104 119.914 -0.065 0.000 2.358 67 V HA -0.194 3.926 4.120 -0.001 0.000 0.246 67 V C 2.449 178.470 176.094 -0.122 0.000 1.047 67 V CA 0.942 63.189 62.300 -0.088 0.000 1.035 67 V CB -0.404 31.339 31.823 -0.134 0.000 0.658 67 V HN 0.134 nan 8.190 nan 0.000 0.452 68 L N 0.675 121.757 121.223 -0.235 0.000 2.046 68 L HA -0.181 4.158 4.340 -0.001 0.000 0.208 68 L C 2.396 179.190 176.870 -0.126 0.000 1.077 68 L CA 2.243 56.940 54.840 -0.238 0.000 0.747 68 L CB -0.862 40.977 42.059 -0.366 0.000 0.896 68 L HN 0.282 nan 8.230 nan 0.000 0.432 69 K N -0.575 119.769 120.400 -0.094 0.000 2.097 69 K HA -0.205 4.114 4.320 -0.001 0.000 0.206 69 K C 1.926 178.503 176.600 -0.037 0.000 1.049 69 K CA 1.790 58.044 56.287 -0.054 0.000 0.933 69 K CB -0.075 32.405 32.500 -0.034 0.000 0.717 69 K HN 0.523 nan 8.250 nan 0.000 0.442 70 E N 0.089 120.272 120.200 -0.029 0.000 2.072 70 E HA -0.154 4.196 4.350 -0.001 0.000 0.191 70 E C 2.059 178.654 176.600 -0.009 0.000 0.985 70 E CA 1.417 57.813 56.400 -0.007 0.000 0.801 70 E CB -0.033 29.674 29.700 0.012 0.000 0.750 70 E HN 0.337 nan 8.360 nan 0.000 0.452 71 M N 0.592 120.183 119.600 -0.015 0.000 2.117 71 M HA -0.168 4.311 4.480 -0.001 0.000 0.262 71 M C 2.081 178.352 176.300 -0.049 0.000 1.065 71 M CA 1.456 56.740 55.300 -0.026 0.000 1.114 71 M CB -0.125 32.459 32.600 -0.027 0.000 1.361 71 M HN -0.064 nan 8.290 nan 0.000 0.408 72 K N 0.282 120.651 120.400 -0.052 0.000 2.148 72 K HA -0.053 4.267 4.320 -0.001 0.000 0.204 72 K C 2.120 178.700 176.600 -0.033 0.000 1.050 72 K CA 1.278 57.537 56.287 -0.048 0.000 0.942 72 K CB -0.235 32.236 32.500 -0.049 0.000 0.724 72 K HN 0.293 nan 8.250 nan 0.000 0.446 73 A N 1.967 124.771 122.820 -0.027 0.000 1.902 73 A HA -0.200 4.119 4.320 -0.001 0.000 0.217 73 A C 1.870 179.442 177.584 -0.020 0.000 1.181 73 A CA 1.524 53.550 52.037 -0.018 0.000 0.623 73 A CB -0.245 18.748 19.000 -0.012 0.000 0.818 73 A HN 0.186 nan 8.150 nan 0.000 0.443 74 K N -0.399 119.985 120.400 -0.026 0.000 2.103 74 K HA 0.032 4.352 4.320 -0.001 0.000 0.204 74 K C 2.244 178.820 176.600 -0.040 0.000 1.052 74 K CA 0.950 57.217 56.287 -0.034 0.000 0.945 74 K CB -0.283 32.190 32.500 -0.045 0.000 0.722 74 K HN 0.422 nan 8.250 nan 0.000 0.443 75 A N 1.101 123.895 122.820 -0.043 0.000 2.019 75 A HA -0.128 4.192 4.320 -0.001 0.000 0.219 75 A C 2.091 179.664 177.584 -0.019 0.000 1.164 75 A CA 1.563 53.578 52.037 -0.036 0.000 0.644 75 A CB -0.426 18.555 19.000 -0.032 0.000 0.805 75 A HN 0.147 nan 8.150 nan 0.000 0.449 76 S N -0.294 115.396 115.700 -0.017 0.000 2.442 76 S HA -0.125 4.345 4.470 -0.001 0.000 0.236 76 S C 2.025 176.620 174.600 -0.008 0.000 1.007 76 S CA 1.713 59.908 58.200 -0.008 0.000 0.965 76 S CB -0.498 62.697 63.200 -0.008 0.000 0.773 76 S HN 0.917 nan 8.310 nan 0.000 0.504 77 T N -0.764 113.782 114.554 -0.014 0.000 3.088 77 T HA 0.156 4.505 4.350 -0.001 0.000 0.259 77 T C 0.562 175.253 174.700 -0.014 0.000 1.122 77 T CA -0.018 62.074 62.100 -0.013 0.000 1.095 77 T CB -0.305 68.554 68.868 -0.016 0.000 0.930 77 T HN 0.032 nan 8.240 nan 0.000 0.508 78 V N 2.004 121.908 119.914 -0.017 0.000 2.530 78 V HA 0.377 4.496 4.120 -0.001 0.000 0.282 78 V C 0.113 176.203 176.094 -0.006 0.000 1.048 78 V CA -0.717 61.572 62.300 -0.018 0.000 0.997 78 V CB 1.114 32.921 31.823 -0.027 0.000 0.987 78 V HN 0.407 nan 8.190 nan 0.000 0.477 79 K N 3.785 124.182 120.400 -0.006 0.000 2.358 79 K HA 0.748 5.067 4.320 -0.001 0.000 0.260 79 K C -0.646 175.955 176.600 0.002 0.000 0.956 79 K CA -0.395 55.894 56.287 0.003 0.000 0.834 79 K CB 1.457 33.959 32.500 0.004 0.000 1.102 79 K HN 0.826 nan 8.250 nan 0.000 0.431 80 A N 4.029 126.854 122.820 0.008 0.000 2.355 80 A HA 0.527 4.846 4.320 -0.001 0.000 0.324 80 A C -1.158 176.440 177.584 0.023 0.000 1.117 80 A CA -0.920 51.122 52.037 0.009 0.000 0.785 80 A CB 0.853 19.854 19.000 0.001 0.000 1.254 80 A HN 0.843 nan 8.150 nan 0.000 0.453 81 K N 1.171 121.587 120.400 0.028 0.000 2.118 81 K HA 0.724 5.043 4.320 -0.001 0.000 0.254 81 K C -1.053 175.573 176.600 0.042 0.000 0.961 81 K CA -0.740 55.566 56.287 0.032 0.000 0.876 81 K CB 1.385 33.901 32.500 0.027 0.000 1.077 81 K HN 0.378 nan 8.250 nan 0.000 0.440 82 L N 2.770 124.015 121.223 0.036 0.000 2.331 82 L HA 0.246 4.585 4.340 -0.001 0.000 0.278 82 L C -0.853 176.005 176.870 -0.020 0.000 1.106 82 L CA -0.561 54.297 54.840 0.029 0.000 0.824 82 L CB 0.750 42.833 42.059 0.039 0.000 1.142 82 L HN 0.643 nan 8.230 nan 0.000 0.443 83 L N 3.599 124.798 121.223 -0.040 0.000 2.418 83 L HA 0.399 4.739 4.340 -0.001 0.000 0.265 83 L C 0.471 177.241 176.870 -0.167 0.000 1.143 83 L CA 0.459 55.253 54.840 -0.075 0.000 0.809 83 L CB 1.320 43.342 42.059 -0.063 0.000 1.124 83 L HN 0.872 nan 8.230 nan 0.000 0.456 84 S N 1.551 117.161 115.700 -0.150 0.000 2.632 84 S HA 0.261 4.731 4.470 -0.001 0.000 0.267 84 S C 1.232 175.694 174.600 -0.230 0.000 1.276 84 S CA -0.633 57.455 58.200 -0.186 0.000 0.998 84 S CB 1.039 64.166 63.200 -0.122 0.000 0.953 84 S HN 0.357 nan 8.310 nan 0.000 0.547 85 V N 2.153 121.901 119.914 -0.276 0.000 2.332 85 V HA -0.187 3.933 4.120 -0.001 0.000 0.248 85 V C 2.868 178.844 176.094 -0.195 0.000 1.055 85 V CA 2.211 64.332 62.300 -0.298 0.000 1.038 85 V CB -1.269 30.320 31.823 -0.389 0.000 0.651 85 V HN 0.989 nan 8.190 nan 0.000 0.450 86 E N 0.739 120.852 120.200 -0.145 0.000 2.077 86 E HA -0.279 4.071 4.350 -0.001 0.000 0.193 86 E C 1.921 178.453 176.600 -0.112 0.000 0.989 86 E CA 1.654 57.989 56.400 -0.109 0.000 0.800 86 E CB -0.472 29.180 29.700 -0.079 0.000 0.746 86 E HN 0.734 nan 8.360 nan 0.000 0.452 87 E N 1.388 121.514 120.200 -0.122 0.000 2.051 87 E HA -0.128 4.222 4.350 -0.001 0.000 0.192 87 E C 2.208 178.705 176.600 -0.172 0.000 0.991 87 E CA 1.252 57.574 56.400 -0.130 0.000 0.799 87 E CB -0.220 29.409 29.700 -0.120 0.000 0.748 87 E HN 0.382 nan 8.360 nan 0.000 0.449 88 A N 0.815 123.527 122.820 -0.182 0.000 1.933 88 A HA -0.194 4.125 4.320 -0.001 0.000 0.218 88 A C 2.410 179.899 177.584 -0.158 0.000 1.175 88 A CA 1.195 53.117 52.037 -0.192 0.000 0.628 88 A CB -0.829 18.070 19.000 -0.167 0.000 0.814 88 A HN 0.363 nan 8.150 nan 0.000 0.444 89 C N -0.456 118.766 119.300 -0.132 0.000 2.425 89 C HA -0.064 4.395 4.460 -0.001 0.000 0.277 89 C C 2.574 177.509 174.990 -0.091 0.000 1.280 89 C CA 1.259 60.218 59.018 -0.099 0.000 1.744 89 C CB -1.025 26.660 27.740 -0.092 0.000 1.989 89 C HN 0.616 nan 8.230 nan 0.000 0.491 90 K N 0.675 121.019 120.400 -0.093 0.000 2.362 90 K HA -0.002 4.317 4.320 -0.001 0.000 0.200 90 K C 1.403 177.976 176.600 -0.046 0.000 1.046 90 K CA 0.849 57.101 56.287 -0.059 0.000 0.952 90 K CB -0.164 32.303 32.500 -0.055 0.000 0.753 90 K HN 0.517 nan 8.250 nan 0.000 0.466 91 L N 0.916 122.061 121.223 -0.129 0.000 2.591 91 L HA 0.014 4.354 4.340 -0.001 0.000 0.228 91 L C 0.286 177.081 176.870 -0.126 0.000 1.133 91 L CA 0.155 54.884 54.840 -0.186 0.000 0.880 91 L CB 0.014 41.829 42.059 -0.406 0.000 1.033 91 L HN 0.001 nan 8.230 nan 0.000 0.450 92 T N 1.612 116.110 114.554 -0.095 0.000 2.794 92 T HA 0.202 4.552 4.350 -0.001 0.000 0.296 92 T C -2.318 172.285 174.700 -0.162 0.000 0.949 92 T CA -1.103 60.936 62.100 -0.102 0.000 1.101 92 T CB 1.013 69.831 68.868 -0.084 0.000 0.905 92 T HN -0.146 nan 8.240 nan 0.000 0.516 93 P HA 0.139 nan 4.420 nan 0.000 0.268 93 P C -1.864 175.188 177.300 -0.414 0.000 1.204 93 P CA -1.324 61.563 63.100 -0.356 0.000 0.768 93 P CB 0.280 31.889 31.700 -0.152 0.000 0.842 94 P HA -0.185 nan 4.420 nan 0.000 0.217 94 P C 0.244 177.228 177.300 -0.527 0.000 1.151 94 P CA 1.743 64.523 63.100 -0.532 0.000 0.849 94 P CB -0.168 31.194 31.700 -0.563 0.000 0.787 95 H N -2.452 116.498 119.070 -0.200 0.000 2.488 95 H HA 0.295 4.850 4.556 -0.001 0.000 0.294 95 H C 0.457 175.712 175.328 -0.121 0.000 1.088 95 H CA -0.320 55.651 56.048 -0.129 0.000 1.086 95 H CB -0.276 29.425 29.762 -0.102 0.000 1.569 95 H HN -0.021 nan 8.280 nan 0.000 0.548 96 S N 1.148 116.803 115.700 -0.076 0.000 2.568 96 S HA 0.359 4.828 4.470 -0.001 0.000 0.282 96 S C 0.807 175.366 174.600 -0.069 0.000 1.338 96 S CA -0.497 57.652 58.200 -0.086 0.000 1.045 96 S CB 0.264 63.409 63.200 -0.093 0.000 0.873 96 S HN 0.537 nan 8.310 nan 0.000 0.516 97 A N 4.511 127.276 122.820 -0.092 0.000 2.580 97 A HA 0.181 4.501 4.320 -0.001 0.000 0.244 97 A C 0.630 178.205 177.584 -0.015 0.000 1.045 97 A CA 0.112 52.125 52.037 -0.041 0.000 0.761 97 A CB -0.390 18.594 19.000 -0.027 0.000 0.962 97 A HN 0.881 nan 8.150 nan 0.000 0.512 98 K N 2.554 122.935 120.400 -0.032 0.000 2.319 98 K HA 0.314 4.633 4.320 -0.001 0.000 0.265 98 K C 0.373 176.886 176.600 -0.144 0.000 1.000 98 K CA 0.121 56.356 56.287 -0.087 0.000 0.943 98 K CB 0.474 32.923 32.500 -0.085 0.000 0.950 98 K HN 0.458 nan 8.250 nan 0.000 0.485 99 S N 0.662 116.167 115.700 -0.327 0.000 2.593 99 S HA 0.052 4.521 4.470 -0.001 0.000 0.269 99 S C 0.483 174.846 174.600 -0.395 0.000 1.334 99 S CA -0.526 57.426 58.200 -0.414 0.000 1.015 99 S CB 0.561 63.184 63.200 -0.961 0.000 0.912 99 S HN 0.689 nan 8.310 nan 0.000 0.541 100 K N 2.010 122.125 120.400 -0.475 0.000 2.487 100 K HA 0.086 4.406 4.320 -0.001 0.000 0.192 100 K C -0.324 175.820 176.600 -0.759 0.000 1.027 100 K CA 0.554 56.478 56.287 -0.605 0.000 1.054 100 K CB -0.032 32.031 32.500 -0.727 0.000 0.824 100 K HN 0.564 nan 8.250 nan 0.000 0.510 101 F N 0.486 120.251 119.950 -0.308 0.000 2.837 101 F HA 0.264 4.790 4.527 -0.001 0.000 0.298 101 F C 0.995 176.701 175.800 -0.156 0.000 1.161 101 F CA -0.635 57.199 58.000 -0.277 0.000 1.353 101 F CB 0.714 39.403 39.000 -0.518 0.000 0.951 101 F HN 0.063 nan 8.300 nan 0.000 0.508 102 G N 0.868 109.638 108.800 -0.050 0.000 2.204 102 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.244 102 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.244 102 G C -0.503 174.495 174.900 0.163 0.000 1.062 102 G CA 0.129 45.258 45.100 0.049 0.000 0.798 102 G HN 0.639 nan 8.290 nan 0.000 0.496 103 Y N -3.118 117.183 120.300 0.001 0.000 2.620 103 Y HA 0.677 5.226 4.550 -0.001 0.000 0.331 103 Y C 0.190 176.093 175.900 0.006 0.000 1.173 103 Y CA -0.970 57.134 58.100 0.007 0.000 1.076 103 Y CB 0.379 38.852 38.460 0.022 0.000 1.336 103 Y HN 0.834 nan 8.280 nan 0.000 0.459 104 G N 0.222 109.108 108.800 0.143 0.000 3.108 104 G HA2 0.570 4.529 3.960 -0.001 0.000 0.268 104 G HA3 0.570 4.529 3.960 -0.001 0.000 0.268 104 G C 0.334 175.286 174.900 0.087 0.000 1.361 104 G CA -0.782 44.343 45.100 0.041 0.000 1.047 104 G HN 1.315 nan 8.290 nan 0.000 0.540 105 A N -0.466 122.352 122.820 -0.003 0.000 1.986 105 A HA -0.079 4.240 4.320 -0.001 0.000 0.220 105 A C 2.210 179.753 177.584 -0.068 0.000 1.171 105 A CA 2.410 54.421 52.037 -0.043 0.000 0.640 105 A CB -0.414 18.513 19.000 -0.122 0.000 0.811 105 A HN 0.510 nan 8.150 nan 0.000 0.451 106 K N 0.113 120.465 120.400 -0.080 0.000 2.026 106 K HA -0.117 4.202 4.320 -0.001 0.000 0.208 106 K C 1.560 178.137 176.600 -0.037 0.000 1.048 106 K CA 1.706 57.940 56.287 -0.087 0.000 0.929 106 K CB -0.181 32.267 32.500 -0.086 0.000 0.713 106 K HN 0.515 nan 8.250 nan 0.000 0.439 107 D N -0.342 120.068 120.400 0.016 0.000 2.144 107 D HA -0.129 4.510 4.640 -0.001 0.000 0.200 107 D C 1.859 178.158 176.300 -0.001 0.000 0.978 107 D CA 1.037 55.053 54.000 0.026 0.000 0.833 107 D CB -0.033 40.825 40.800 0.096 0.000 0.961 107 D HN -0.004 nan 8.370 nan 0.000 0.470 108 V N 1.396 121.330 119.914 0.033 0.000 2.307 108 V HA -0.203 3.917 4.120 -0.001 0.000 0.245 108 V C 2.489 178.558 176.094 -0.042 0.000 1.045 108 V CA 1.452 63.752 62.300 0.000 0.000 1.024 108 V CB -0.371 31.487 31.823 0.057 0.000 0.651 108 V HN 0.105 nan 8.190 nan 0.000 0.449 109 R N 0.502 120.970 120.500 -0.054 0.000 2.120 109 R HA -0.094 4.245 4.340 -0.001 0.000 0.234 109 R C 1.717 177.983 176.300 -0.056 0.000 1.123 109 R CA 1.329 57.388 56.100 -0.069 0.000 0.975 109 R CB -0.330 29.909 30.300 -0.102 0.000 0.866 109 R HN 0.525 nan 8.270 nan 0.000 0.446 110 N N 0.803 119.472 118.700 -0.050 0.000 2.398 110 N HA 0.069 4.808 4.740 -0.001 0.000 0.188 110 N C 0.155 175.640 175.510 -0.043 0.000 1.122 110 N CA 0.271 53.295 53.050 -0.042 0.000 0.866 110 N CB 0.373 38.838 38.487 -0.037 0.000 0.970 110 N HN 0.138 nan 8.380 nan 0.000 0.462 111 L N 0.918 122.110 121.223 -0.052 0.000 3.634 111 L HA -0.212 4.128 4.340 -0.001 0.000 0.423 111 L C 0.150 176.987 176.870 -0.055 0.000 1.253 111 L CA -0.075 54.730 54.840 -0.057 0.000 0.885 111 L CB -2.641 39.389 42.059 -0.049 0.000 1.789 111 L HN 0.138 nan 8.230 nan 0.000 0.904 112 S N -1.132 114.532 115.700 -0.060 0.000 2.568 112 S HA 0.273 4.742 4.470 -0.001 0.000 0.282 112 S C 1.496 176.054 174.600 -0.070 0.000 1.338 112 S CA -0.101 58.066 58.200 -0.054 0.000 1.045 112 S CB 1.756 64.929 63.200 -0.045 0.000 0.873 112 S HN 0.509 nan 8.310 nan 0.000 0.516 113 S N 2.559 118.229 115.700 -0.049 0.000 2.370 113 S HA -0.251 4.218 4.470 -0.001 0.000 0.226 113 S C 1.718 176.280 174.600 -0.062 0.000 1.033 113 S CA 1.280 59.454 58.200 -0.044 0.000 1.011 113 S CB -0.682 62.502 63.200 -0.028 0.000 0.852 113 S HN 0.856 nan 8.310 nan 0.000 0.457 114 K N 1.695 122.053 120.400 -0.070 0.000 2.032 114 K HA -0.059 4.261 4.320 -0.001 0.000 0.209 114 K C 2.373 178.824 176.600 -0.249 0.000 1.048 114 K CA 1.304 57.541 56.287 -0.083 0.000 0.927 114 K CB -0.682 31.802 32.500 -0.026 0.000 0.712 114 K HN 0.457 nan 8.250 nan 0.000 0.441 115 A N 0.510 123.080 122.820 -0.417 0.000 1.873 115 A HA -0.097 4.222 4.320 -0.001 0.000 0.215 115 A C 2.244 179.566 177.584 -0.437 0.000 1.186 115 A CA 1.629 53.148 52.037 -0.863 0.000 0.616 115 A CB -0.682 17.954 19.000 -0.607 0.000 0.823 115 A HN 0.179 nan 8.150 nan 0.000 0.442 116 V N 1.172 120.960 119.914 -0.211 0.000 2.407 116 V HA -0.260 3.860 4.120 -0.001 0.000 0.248 116 V C 2.280 178.398 176.094 0.040 0.000 1.055 116 V CA 2.075 64.324 62.300 -0.085 0.000 1.049 116 V CB -0.968 30.846 31.823 -0.015 0.000 0.662 116 V HN 0.544 nan 8.190 nan 0.000 0.455 117 N N -0.696 118.011 118.700 0.012 0.000 2.142 117 N HA -0.165 4.574 4.740 -0.001 0.000 0.186 117 N C 1.903 177.450 175.510 0.063 0.000 1.023 117 N CA 1.496 54.581 53.050 0.058 0.000 0.852 117 N CB -0.464 38.033 38.487 0.017 0.000 0.998 117 N HN 0.648 nan 8.380 nan 0.000 0.424 118 H N 1.004 120.023 119.070 -0.085 0.000 2.357 118 H HA 0.045 4.601 4.556 -0.001 0.000 0.301 118 H C 2.131 177.455 175.328 -0.008 0.000 1.082 118 H CA 0.903 56.925 56.048 -0.044 0.000 1.342 118 H CB 0.064 29.843 29.762 0.028 0.000 1.389 118 H HN 0.112 nan 8.280 nan 0.000 0.511 119 I N 0.304 120.805 120.570 -0.115 0.000 2.163 119 I HA -0.326 3.843 4.170 -0.001 0.000 0.243 119 I C 2.374 178.420 176.117 -0.118 0.000 1.085 119 I CA 1.637 62.854 61.300 -0.137 0.000 1.347 119 I CB -0.464 37.445 38.000 -0.152 0.000 1.044 119 I HN 0.340 nan 8.210 nan 0.000 0.408 120 H N 0.057 119.086 119.070 -0.069 0.000 2.387 120 H HA -0.168 4.387 4.556 -0.001 0.000 0.299 120 H C 2.545 177.884 175.328 0.019 0.000 1.099 120 H CA 1.984 58.025 56.048 -0.012 0.000 1.315 120 H CB 0.006 29.746 29.762 -0.036 0.000 1.380 120 H HN 0.394 nan 8.280 nan 0.000 0.513 121 S N -0.247 115.484 115.700 0.051 0.000 2.368 121 S HA -0.129 4.340 4.470 -0.001 0.000 0.224 121 S C 2.282 176.832 174.600 -0.084 0.000 1.029 121 S CA 1.208 59.393 58.200 -0.025 0.000 0.988 121 S CB -0.717 62.438 63.200 -0.075 0.000 0.838 121 S HN 0.163 nan 8.310 nan 0.000 0.462 122 V N 0.940 120.739 119.914 -0.192 0.000 2.343 122 V HA -0.129 3.990 4.120 -0.001 0.000 0.247 122 V C 2.244 178.328 176.094 -0.016 0.000 1.051 122 V CA 1.820 64.022 62.300 -0.163 0.000 1.036 122 V CB -1.069 30.626 31.823 -0.213 0.000 0.654 122 V HN 0.713 nan 8.190 nan 0.000 0.451 123 W N 1.344 122.571 121.300 -0.123 0.000 2.335 123 W HA -0.248 4.412 4.660 -0.001 0.000 0.311 123 W C 2.510 178.999 176.519 -0.049 0.000 1.213 123 W CA 2.343 59.641 57.345 -0.078 0.000 1.274 123 W CB -0.133 29.282 29.460 -0.076 0.000 1.148 123 W HN 0.237 nan 8.180 nan 0.000 0.498 124 K N 0.515 120.973 120.400 0.097 0.000 2.097 124 K HA -0.258 4.062 4.320 -0.001 0.000 0.206 124 K C 1.734 178.274 176.600 -0.100 0.000 1.049 124 K CA 2.178 58.464 56.287 -0.001 0.000 0.933 124 K CB -0.556 31.979 32.500 0.058 0.000 0.717 124 K HN 0.003 nan 8.250 nan 0.000 0.442 125 D N 0.281 120.625 120.400 -0.093 0.000 2.144 125 D HA -0.136 4.503 4.640 -0.001 0.000 0.199 125 D C 1.906 178.115 176.300 -0.152 0.000 0.984 125 D CA 0.912 54.850 54.000 -0.103 0.000 0.834 125 D CB 0.082 40.829 40.800 -0.089 0.000 0.955 125 D HN 0.206 nan 8.370 nan 0.000 0.465 126 L N -0.116 120.972 121.223 -0.225 0.000 2.083 126 L HA -0.126 4.213 4.340 -0.001 0.000 0.209 126 L C 2.438 179.121 176.870 -0.312 0.000 1.083 126 L CA 0.649 55.316 54.840 -0.289 0.000 0.752 126 L CB -0.326 41.481 42.059 -0.420 0.000 0.899 126 L HN 0.217 nan 8.230 nan 0.000 0.433 127 L N -0.714 120.290 121.223 -0.365 0.000 2.156 127 L HA -0.149 4.190 4.340 -0.001 0.000 0.208 127 L C 2.175 178.950 176.870 -0.159 0.000 1.095 127 L CA 1.163 55.834 54.840 -0.282 0.000 0.770 127 L CB -0.323 41.573 42.059 -0.272 0.000 0.914 127 L HN 0.323 nan 8.230 nan 0.000 0.439 128 E N -1.208 118.915 120.200 -0.129 0.000 2.447 128 E HA -0.016 4.333 4.350 -0.001 0.000 0.195 128 E C 0.005 176.561 176.600 -0.074 0.000 1.028 128 E CA 0.054 56.404 56.400 -0.083 0.000 0.876 128 E CB 0.407 30.070 29.700 -0.061 0.000 0.885 128 E HN 0.180 nan 8.360 nan 0.000 0.500 129 D N 0.728 121.075 120.400 -0.089 0.000 2.620 129 D HA 0.055 4.694 4.640 -0.001 0.000 0.252 129 D C -0.191 176.059 176.300 -0.084 0.000 1.207 129 D CA -0.367 53.589 54.000 -0.072 0.000 0.884 129 D CB 1.475 42.238 40.800 -0.063 0.000 1.262 129 D HN -0.054 nan 8.370 nan 0.000 0.552 130 T N 0.440 114.953 114.554 -0.068 0.000 3.266 130 T HA 0.286 4.635 4.350 -0.001 0.000 0.278 130 T C 0.834 175.505 174.700 -0.048 0.000 1.010 130 T CA -0.175 61.885 62.100 -0.068 0.000 0.909 130 T CB 0.118 68.949 68.868 -0.061 0.000 1.122 130 T HN 0.124 nan 8.240 nan 0.000 0.536 131 V N -0.387 119.503 119.914 -0.041 0.000 3.229 131 V HA 0.204 4.323 4.120 -0.001 0.000 0.239 131 V C 0.901 176.986 176.094 -0.016 0.000 1.390 131 V CA 0.075 62.361 62.300 -0.025 0.000 1.231 131 V CB 0.167 31.978 31.823 -0.020 0.000 1.025 131 V HN 0.463 nan 8.190 nan 0.000 0.461 132 T N 4.182 118.725 114.554 -0.019 0.000 2.784 132 T HA 0.214 4.563 4.350 -0.001 0.000 0.291 132 T C -2.446 172.252 174.700 -0.003 0.000 0.942 132 T CA -0.536 61.560 62.100 -0.006 0.000 1.161 132 T CB 0.661 69.524 68.868 -0.007 0.000 0.885 132 T HN 0.159 nan 8.240 nan 0.000 0.534 133 P HA 0.113 nan 4.420 nan 0.000 0.262 133 P C -0.187 177.113 177.300 -0.001 0.000 1.182 133 P CA 0.032 63.146 63.100 0.023 0.000 0.761 133 P CB 0.319 32.082 31.700 0.105 0.000 0.795 134 I N 2.499 123.048 120.570 -0.034 0.000 2.396 134 I HA 0.146 4.316 4.170 -0.001 0.000 0.292 134 I C 0.949 177.046 176.117 -0.034 0.000 0.999 134 I CA -0.459 60.826 61.300 -0.026 0.000 1.310 134 I CB 0.825 38.799 38.000 -0.044 0.000 1.404 134 I HN 0.321 nan 8.210 nan 0.000 0.496 135 D N 4.233 124.628 120.400 -0.008 0.000 2.399 135 D HA 0.215 4.855 4.640 -0.001 0.000 0.241 135 D C -0.371 175.887 176.300 -0.070 0.000 1.133 135 D CA 0.301 54.282 54.000 -0.033 0.000 0.890 135 D CB 0.809 41.604 40.800 -0.008 0.000 1.201 135 D HN 0.637 nan 8.370 nan 0.000 0.432 136 T N -0.860 113.623 114.554 -0.118 0.000 2.883 136 T HA 0.582 4.931 4.350 -0.001 0.000 0.301 136 T C -0.486 174.054 174.700 -0.266 0.000 1.158 136 T CA -0.983 61.005 62.100 -0.186 0.000 1.007 136 T CB 1.534 70.322 68.868 -0.134 0.000 1.186 136 T HN 0.215 nan 8.240 nan 0.000 0.499 137 T N 2.198 116.443 114.554 -0.514 0.000 2.829 137 T HA 0.612 4.961 4.350 -0.001 0.000 0.282 137 T C -0.476 173.998 174.700 -0.378 0.000 0.990 137 T CA -0.619 61.167 62.100 -0.523 0.000 1.028 137 T CB 0.781 69.133 68.868 -0.859 0.000 0.951 137 T HN 0.729 nan 8.240 nan 0.000 0.460 138 I N 4.215 124.706 120.570 -0.131 0.000 2.378 138 I HA 0.523 4.693 4.170 -0.001 0.000 0.291 138 I C -0.985 175.168 176.117 0.061 0.000 0.992 138 I CA -0.780 60.526 61.300 0.010 0.000 1.154 138 I CB 0.654 38.695 38.000 0.069 0.000 1.315 138 I HN 0.416 nan 8.210 nan 0.000 0.448 139 M N 6.248 125.928 119.600 0.134 0.000 2.619 139 M HA 0.525 5.004 4.480 -0.001 0.000 0.297 139 M C -0.626 175.740 176.300 0.108 0.000 1.229 139 M CA -0.643 54.738 55.300 0.135 0.000 0.860 139 M CB 1.943 34.672 32.600 0.214 0.000 1.741 139 M HN 0.593 nan 8.290 nan 0.000 0.462 140 A N 2.108 124.973 122.820 0.076 0.000 2.289 140 A HA 0.510 4.830 4.320 -0.001 0.000 0.298 140 A C -0.183 177.438 177.584 0.061 0.000 1.208 140 A CA -0.552 51.520 52.037 0.060 0.000 0.845 140 A CB 0.303 19.326 19.000 0.038 0.000 1.125 140 A HN 0.763 nan 8.150 nan 0.000 0.517 141 K N 2.011 122.449 120.400 0.064 0.000 2.326 141 K HA 0.109 4.429 4.320 -0.001 0.000 0.275 141 K C -0.567 176.043 176.600 0.016 0.000 1.018 141 K CA 0.121 56.432 56.287 0.040 0.000 0.962 141 K CB 0.619 33.148 32.500 0.049 0.000 0.953 141 K HN 0.762 nan 8.250 nan 0.000 0.475 142 N N 2.801 121.480 118.700 -0.035 0.000 2.589 142 N HA 0.084 4.823 4.740 -0.001 0.000 0.232 142 N C -1.191 174.193 175.510 -0.210 0.000 1.015 142 N CA -0.267 52.725 53.050 -0.096 0.000 0.931 142 N CB 0.848 39.276 38.487 -0.099 0.000 1.150 142 N HN 0.389 nan 8.380 nan 0.000 0.512 143 E N 1.044 121.107 120.200 -0.229 0.000 2.238 143 E HA 0.386 4.736 4.350 -0.001 0.000 0.267 143 E C -0.800 175.366 176.600 -0.724 0.000 0.887 143 E CA -0.928 55.202 56.400 -0.451 0.000 0.769 143 E CB 2.569 32.064 29.700 -0.341 0.000 1.187 143 E HN 0.095 nan 8.360 nan 0.000 0.416 144 V N 3.451 122.797 119.914 -0.946 0.000 2.509 144 V HA 0.448 4.568 4.120 -0.001 0.000 0.284 144 V C -0.648 174.782 176.094 -1.107 0.000 1.047 144 V CA -0.074 61.685 62.300 -0.901 0.000 0.952 144 V CB 0.020 31.441 31.823 -0.670 0.000 0.988 144 V HN 0.519 nan 8.190 nan 0.000 0.469 145 F N 2.042 121.640 119.950 -0.587 0.000 2.754 145 F HA 0.609 5.136 4.527 -0.001 0.000 0.320 145 F C -0.043 175.570 175.800 -0.311 0.000 1.156 145 F CA -0.778 56.964 58.000 -0.429 0.000 0.950 145 F CB 1.308 40.059 39.000 -0.415 0.000 1.388 145 F HN 0.523 nan 8.300 nan 0.000 0.485 146 C N 2.723 122.138 119.300 0.191 0.000 2.355 146 C HA 0.817 5.276 4.460 -0.001 0.000 0.332 146 C C 0.229 175.438 174.990 0.364 0.000 1.255 146 C CA -0.622 58.536 59.018 0.234 0.000 1.792 146 C CB -0.001 27.829 27.740 0.150 0.000 2.300 146 C HN 0.741 nan 8.230 nan 0.000 0.515 147 V N 4.469 124.618 119.914 0.393 0.000 3.625 147 V HA 0.389 4.509 4.120 -0.001 0.000 0.302 147 V C 0.117 176.296 176.094 0.141 0.000 1.112 147 V CA 0.384 62.845 62.300 0.269 0.000 1.173 147 V CB -0.121 31.784 31.823 0.136 0.000 1.096 147 V HN 1.375 nan 8.190 nan 0.000 0.486 155 K N 2.232 122.634 120.400 0.002 0.000 2.118 155 K HA 0.540 4.860 4.320 -0.001 0.000 0.267 155 K C -2.311 174.315 176.600 0.043 0.000 0.991 155 K CA -1.632 54.638 56.287 -0.027 0.000 0.916 155 K CB 1.399 33.806 32.500 -0.155 0.000 1.041 155 K HN 0.164 nan 8.250 nan 0.000 0.455 156 P HA 0.038 nan 4.420 nan 0.000 0.274 156 P C -0.517 176.830 177.300 0.079 0.000 1.231 156 P CA -0.386 62.740 63.100 0.044 0.000 0.790 156 P CB 0.936 32.643 31.700 0.011 0.000 0.951 157 A N 3.740 126.616 122.820 0.094 0.000 2.520 157 A HA 0.063 4.382 4.320 -0.001 0.000 0.235 157 A C 0.720 178.359 177.584 0.091 0.000 1.065 157 A CA 0.101 52.204 52.037 0.111 0.000 0.764 157 A CB -0.258 18.792 19.000 0.084 0.000 1.002 157 A HN 0.502 nan 8.150 nan 0.000 0.502 158 R N -0.095 120.474 120.500 0.114 0.000 2.543 158 R HA 0.494 4.833 4.340 -0.001 0.000 0.268 158 R C -1.111 175.246 176.300 0.096 0.000 1.067 158 R CA -0.714 55.452 56.100 0.109 0.000 1.142 158 R CB 0.370 30.749 30.300 0.132 0.000 1.110 158 R HN 0.490 nan 8.270 nan 0.000 0.549 159 L N 1.722 123.007 121.223 0.104 0.000 2.334 159 L HA 0.462 4.801 4.340 -0.001 0.000 0.276 159 L C -0.524 176.432 176.870 0.143 0.000 1.014 159 L CA -0.572 54.331 54.840 0.106 0.000 0.815 159 L CB 1.410 43.519 42.059 0.083 0.000 1.268 159 L HN 0.460 nan 8.230 nan 0.000 0.428 160 I N 2.817 123.485 120.570 0.164 0.000 2.465 160 I HA 0.644 4.813 4.170 -0.001 0.000 0.291 160 I C -1.089 175.194 176.117 0.277 0.000 1.014 160 I CA -0.394 61.035 61.300 0.215 0.000 1.093 160 I CB 1.870 39.992 38.000 0.203 0.000 1.267 160 I HN 0.212 nan 8.210 nan 0.000 0.431 161 V N 8.804 128.884 119.914 0.277 0.000 2.443 161 V HA 0.575 4.695 4.120 -0.001 0.000 0.293 161 V C -0.813 175.450 176.094 0.281 0.000 1.021 161 V CA -0.478 61.945 62.300 0.204 0.000 0.848 161 V CB 1.010 32.924 31.823 0.151 0.000 0.998 161 V HN 0.586 nan 8.190 nan 0.000 0.424 162 F N 5.059 125.047 119.950 0.062 0.000 2.601 162 F HA 0.964 5.490 4.527 -0.001 0.000 0.309 162 F C -3.037 172.794 175.800 0.050 0.000 1.089 162 F CA -2.862 55.176 58.000 0.062 0.000 0.940 162 F CB 1.744 40.777 39.000 0.054 0.000 1.273 162 F HN 0.285 nan 8.300 nan 0.000 0.450 163 P HA 0.189 nan 4.420 nan 0.000 0.281 163 P C -1.081 176.312 177.300 0.154 0.000 1.281 163 P CA -0.193 62.947 63.100 0.067 0.000 0.811 163 P CB 1.285 33.040 31.700 0.092 0.000 1.154 164 D N -0.750 119.725 120.400 0.126 0.000 2.400 164 D HA -0.063 4.576 4.640 -0.001 0.000 0.238 164 D C 1.353 177.780 176.300 0.212 0.000 1.157 164 D CA -0.266 53.837 54.000 0.171 0.000 0.889 164 D CB 0.261 41.203 40.800 0.236 0.000 1.199 164 D HN 0.098 nan 8.370 nan 0.000 0.436 165 L N 3.295 124.623 121.223 0.175 0.000 2.081 165 L HA -0.029 4.310 4.340 -0.001 0.000 0.212 165 L C 2.023 179.038 176.870 0.242 0.000 1.080 165 L CA 2.588 57.527 54.840 0.164 0.000 0.754 165 L CB -1.084 41.020 42.059 0.075 0.000 0.893 165 L HN 0.659 nan 8.230 nan 0.000 0.433 166 G N -1.340 107.673 108.800 0.355 0.000 2.418 166 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.217 166 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.217 166 G C 1.527 176.548 174.900 0.201 0.000 1.158 166 G CA 1.015 46.345 45.100 0.383 0.000 0.771 166 G HN 0.354 nan 8.290 nan 0.000 0.545 167 V N 0.730 120.757 119.914 0.189 0.000 2.427 167 V HA -0.140 3.979 4.120 -0.001 0.000 0.248 167 V C 2.918 179.095 176.094 0.138 0.000 1.051 167 V CA 1.759 64.139 62.300 0.132 0.000 1.048 167 V CB -0.432 31.458 31.823 0.112 0.000 0.666 167 V HN 0.326 nan 8.190 nan 0.000 0.456 168 R N -0.293 120.298 120.500 0.152 0.000 2.096 168 R HA -0.123 4.216 4.340 -0.001 0.000 0.235 168 R C 2.224 178.588 176.300 0.107 0.000 1.127 168 R CA 1.444 57.626 56.100 0.136 0.000 0.968 168 R CB -0.622 29.755 30.300 0.128 0.000 0.861 168 R HN 0.422 nan 8.270 nan 0.000 0.440 169 V N 0.401 120.373 119.914 0.096 0.000 2.427 169 V HA -0.273 3.846 4.120 -0.001 0.000 0.248 169 V C 2.459 178.584 176.094 0.052 0.000 1.051 169 V CA 1.492 63.818 62.300 0.043 0.000 1.048 169 V CB -0.422 31.418 31.823 0.028 0.000 0.666 169 V HN 0.444 nan 8.190 nan 0.000 0.456 170 C N -0.168 119.205 119.300 0.122 0.000 2.435 170 C HA -0.112 4.347 4.460 -0.001 0.000 0.279 170 C C 2.639 177.798 174.990 0.281 0.000 1.321 170 C CA 0.702 59.874 59.018 0.257 0.000 1.752 170 C CB -0.972 26.967 27.740 0.332 0.000 1.959 170 C HN 0.617 nan 8.230 nan 0.000 0.500 171 E N 0.904 121.221 120.200 0.196 0.000 2.077 171 E HA -0.204 4.145 4.350 -0.001 0.000 0.193 171 E C 2.150 178.864 176.600 0.190 0.000 0.989 171 E CA 1.102 57.626 56.400 0.208 0.000 0.800 171 E CB -0.133 29.697 29.700 0.216 0.000 0.746 171 E HN 0.632 nan 8.360 nan 0.000 0.452 172 K N 0.424 120.907 120.400 0.138 0.000 2.032 172 K HA -0.134 4.185 4.320 -0.001 0.000 0.209 172 K C 2.220 178.879 176.600 0.099 0.000 1.048 172 K CA 1.458 57.814 56.287 0.115 0.000 0.927 172 K CB -0.144 32.346 32.500 -0.017 0.000 0.712 172 K HN 0.109 nan 8.250 nan 0.000 0.441 173 M N 0.202 119.820 119.600 0.030 0.000 2.080 173 M HA -0.199 4.280 4.480 -0.001 0.000 0.260 173 M C 2.409 178.752 176.300 0.073 0.000 1.068 173 M CA 1.878 57.136 55.300 -0.070 0.000 1.109 173 M CB -0.321 32.056 32.600 -0.372 0.000 1.342 173 M HN 0.251 nan 8.290 nan 0.000 0.405 174 A N -0.775 122.204 122.820 0.265 0.000 1.975 174 A HA 0.083 4.402 4.320 -0.001 0.000 0.215 174 A C 1.825 179.501 177.584 0.154 0.000 1.170 174 A CA 1.022 53.245 52.037 0.311 0.000 0.656 174 A CB -0.146 19.081 19.000 0.379 0.000 0.821 174 A HN 0.488 nan 8.150 nan 0.000 0.449 175 L N -3.265 118.034 121.223 0.127 0.000 2.878 175 L HA 0.190 4.530 4.340 -0.001 0.000 0.253 175 L C 1.889 178.782 176.870 0.038 0.000 1.135 175 L CA 0.026 54.882 54.840 0.026 0.000 0.943 175 L CB -0.046 41.991 42.059 -0.037 0.000 1.307 175 L HN 0.410 nan 8.230 nan 0.000 0.545 176 Y N 1.713 122.019 120.300 0.010 0.000 2.069 176 Y HA -0.387 4.162 4.550 -0.001 0.000 0.278 176 Y C 2.251 178.173 175.900 0.037 0.000 1.175 176 Y CA 2.392 60.511 58.100 0.032 0.000 1.134 176 Y CB -0.015 38.452 38.460 0.012 0.000 0.965 176 Y HN 0.240 nan 8.280 nan 0.000 0.498 177 D N -0.887 119.542 120.400 0.049 0.000 2.178 177 D HA -0.157 4.482 4.640 -0.001 0.000 0.201 177 D C 2.168 178.407 176.300 -0.101 0.000 0.980 177 D CA 1.324 55.307 54.000 -0.028 0.000 0.842 177 D CB -0.179 40.650 40.800 0.047 0.000 0.948 177 D HN 0.270 nan 8.370 nan 0.000 0.472 178 V N 0.381 120.234 119.914 -0.101 0.000 2.244 178 V HA -0.215 3.904 4.120 -0.001 0.000 0.244 178 V C 2.697 178.676 176.094 -0.192 0.000 1.042 178 V CA 1.781 63.998 62.300 -0.140 0.000 1.006 178 V CB -0.735 30.971 31.823 -0.196 0.000 0.641 178 V HN 0.324 nan 8.190 nan 0.000 0.446 179 V N -2.174 117.601 119.914 -0.233 0.000 2.867 179 V HA -0.120 3.999 4.120 -0.001 0.000 0.260 179 V C 1.981 177.910 176.094 -0.275 0.000 1.099 179 V CA 2.163 64.318 62.300 -0.242 0.000 1.122 179 V CB -0.534 31.163 31.823 -0.209 0.000 0.708 179 V HN 0.457 nan 8.190 nan 0.000 0.490 180 S N 0.117 115.653 115.700 -0.274 0.000 2.486 180 S HA 0.034 4.503 4.470 -0.001 0.000 0.220 180 S C 1.824 176.330 174.600 -0.158 0.000 1.011 180 S CA 1.247 59.310 58.200 -0.229 0.000 0.921 180 S CB 0.136 63.154 63.200 -0.304 0.000 0.785 180 S HN 0.783 nan 8.310 nan 0.000 0.517 181 T N 1.433 115.889 114.554 -0.163 0.000 2.999 181 T HA 0.290 4.639 4.350 -0.001 0.000 0.247 181 T C 1.641 176.240 174.700 -0.168 0.000 1.012 181 T CA -0.151 61.871 62.100 -0.130 0.000 1.048 181 T CB -0.092 68.726 68.868 -0.083 0.000 1.020 181 T HN 0.171 nan 8.240 nan 0.000 0.478 182 L N 1.981 123.097 121.223 -0.178 0.000 2.017 182 L HA 0.021 4.360 4.340 -0.001 0.000 0.208 182 L C -1.017 175.682 176.870 -0.285 0.000 1.073 182 L CA 1.470 56.206 54.840 -0.174 0.000 0.745 182 L CB -0.833 41.172 42.059 -0.091 0.000 0.894 182 L HN 0.104 nan 8.230 nan 0.000 0.432 183 P HA -0.244 nan 4.420 nan 0.000 0.216 183 P C 1.338 178.196 177.300 -0.738 0.000 1.153 183 P CA 1.357 64.008 63.100 -0.747 0.000 0.858 183 P CB -0.166 30.724 31.700 -1.351 0.000 0.789 184 Q N -0.031 119.386 119.800 -0.638 0.000 2.167 184 Q HA -0.101 4.238 4.340 -0.001 0.000 0.202 184 Q C 1.939 177.815 176.000 -0.208 0.000 0.970 184 Q CA 1.477 57.100 55.803 -0.300 0.000 0.855 184 Q CB -0.752 27.904 28.738 -0.136 0.000 0.911 184 Q HN 0.094 nan 8.270 nan 0.000 0.438 185 V N -0.009 119.786 119.914 -0.199 0.000 2.379 185 V HA -0.185 3.935 4.120 -0.001 0.000 0.245 185 V C 2.523 178.528 176.094 -0.147 0.000 1.044 185 V CA 1.358 63.576 62.300 -0.135 0.000 1.036 185 V CB -0.436 31.323 31.823 -0.107 0.000 0.664 185 V HN 0.115 nan 8.190 nan 0.000 0.453 186 V N -0.641 119.152 119.914 -0.202 0.000 2.453 186 V HA -0.185 3.934 4.120 -0.001 0.000 0.247 186 V C 2.025 177.944 176.094 -0.291 0.000 1.048 186 V CA 2.106 64.279 62.300 -0.211 0.000 1.049 186 V CB -0.431 31.252 31.823 -0.232 0.000 0.672 186 V HN 0.482 nan 8.190 nan 0.000 0.457 187 M N -1.319 118.050 119.600 -0.384 0.000 2.337 187 M HA 0.387 4.866 4.480 -0.001 0.000 0.256 187 M C 1.377 177.565 176.300 -0.186 0.000 1.075 187 M CA 0.695 55.709 55.300 -0.476 0.000 1.024 187 M CB 0.604 32.785 32.600 -0.698 0.000 1.429 187 M HN 0.430 nan 8.290 nan 0.000 0.497 188 G N 1.580 110.300 108.800 -0.134 0.000 2.594 188 G HA2 -0.387 3.572 3.960 -0.001 0.000 0.297 188 G HA3 -0.387 3.572 3.960 -0.001 0.000 0.297 188 G C 0.800 175.656 174.900 -0.073 0.000 1.273 188 G CA 0.742 45.803 45.100 -0.065 0.000 0.974 188 G HN 0.547 nan 8.290 nan 0.000 0.552 189 S N -0.745 114.934 115.700 -0.035 0.000 2.493 189 S HA -0.005 4.464 4.470 -0.001 0.000 0.243 189 S C 2.187 176.609 174.600 -0.297 0.000 0.991 189 S CA 2.105 60.231 58.200 -0.123 0.000 0.957 189 S CB -0.178 63.053 63.200 0.052 0.000 0.756 189 S HN 1.040 nan 8.310 nan 0.000 0.521 190 S N 0.070 115.725 115.700 -0.074 0.000 2.461 190 S HA 0.126 4.596 4.470 -0.001 0.000 0.228 190 S C 0.301 174.872 174.600 -0.049 0.000 1.005 190 S CA -0.138 58.070 58.200 0.014 0.000 0.942 190 S CB -0.391 62.949 63.200 0.234 0.000 0.776 190 S HN 0.709 nan 8.310 nan 0.000 0.514 191 Y N 3.163 123.301 120.300 -0.271 0.000 2.587 191 Y HA 0.410 4.960 4.550 -0.001 0.000 0.344 191 Y C 1.276 176.927 175.900 -0.414 0.000 1.061 191 Y CA -1.254 56.662 58.100 -0.306 0.000 1.370 191 Y CB -0.002 38.282 38.460 -0.294 0.000 1.163 191 Y HN 0.063 nan 8.280 nan 0.000 0.527 192 G N 4.642 112.994 108.800 -0.747 0.000 2.422 192 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.218 192 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.218 192 G C 1.083 175.420 174.900 -0.939 0.000 1.140 192 G CA 0.221 44.878 45.100 -0.738 0.000 0.775 192 G HN 0.654 nan 8.290 nan 0.000 0.545 193 F N 1.480 120.721 119.950 -1.181 0.000 2.641 193 F HA 0.016 4.542 4.527 -0.001 0.000 0.298 193 F C 2.823 178.378 175.800 -0.407 0.000 1.146 193 F CA 0.971 58.384 58.000 -0.979 0.000 1.464 193 F CB -0.140 38.273 39.000 -0.979 0.000 1.101 193 F HN 0.392 nan 8.300 nan 0.000 0.585 194 Q N -0.929 118.613 119.800 -0.431 0.000 2.432 194 Q HA -0.051 4.288 4.340 -0.001 0.000 0.205 194 Q C -0.529 175.380 176.000 -0.151 0.000 0.945 194 Q CA 0.654 56.329 55.803 -0.213 0.000 0.924 194 Q CB -0.271 28.248 28.738 -0.365 0.000 1.016 194 Q HN 0.283 nan 8.270 nan 0.000 0.503 195 Y N 1.697 122.013 120.300 0.028 0.000 2.387 195 Y HA 0.353 4.903 4.550 -0.001 0.000 0.330 195 Y C 0.618 176.395 175.900 -0.205 0.000 1.133 195 Y CA -1.380 56.687 58.100 -0.056 0.000 1.152 195 Y CB 1.465 39.850 38.460 -0.126 0.000 1.215 195 Y HN 0.094 nan 8.280 nan 0.000 0.466 196 S N 1.729 117.192 115.700 -0.395 0.000 2.681 196 S HA 0.342 4.812 4.470 -0.001 0.000 0.270 196 S C -2.088 172.164 174.600 -0.579 0.000 1.209 196 S CA -1.197 56.214 58.200 -1.315 0.000 0.988 196 S CB 1.516 64.079 63.200 -1.062 0.000 1.006 196 S HN 0.396 nan 8.310 nan 0.000 0.558 197 P HA -0.024 nan 4.420 nan 0.000 0.215 197 P C 1.702 178.932 177.300 -0.118 0.000 1.157 197 P CA 1.816 64.795 63.100 -0.201 0.000 0.874 197 P CB -0.508 31.140 31.700 -0.086 0.000 0.790 198 G N -0.496 108.210 108.800 -0.157 0.000 2.422 198 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.218 198 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.218 198 G C 1.484 176.327 174.900 -0.095 0.000 1.146 198 G CA 0.546 45.604 45.100 -0.070 0.000 0.769 198 G HN 0.329 nan 8.290 nan 0.000 0.547 199 Q N -0.566 119.151 119.800 -0.138 0.000 2.172 199 Q HA 0.048 4.388 4.340 -0.001 0.000 0.200 199 Q C 2.559 178.365 176.000 -0.323 0.000 0.964 199 Q CA 0.643 56.358 55.803 -0.147 0.000 0.855 199 Q CB -0.076 28.659 28.738 -0.006 0.000 0.918 199 Q HN 0.451 nan 8.270 nan 0.000 0.444 200 R N 0.463 120.825 120.500 -0.229 0.000 2.075 200 R HA -0.108 4.231 4.340 -0.001 0.000 0.232 200 R C 2.073 178.288 176.300 -0.142 0.000 1.126 200 R CA 1.056 57.021 56.100 -0.224 0.000 0.963 200 R CB -0.072 30.201 30.300 -0.044 0.000 0.858 200 R HN 0.084 nan 8.270 nan 0.000 0.435 201 V N 1.572 121.427 119.914 -0.099 0.000 2.295 201 V HA -0.245 3.875 4.120 -0.001 0.000 0.246 201 V C 2.390 178.413 176.094 -0.119 0.000 1.049 201 V CA 2.252 64.500 62.300 -0.088 0.000 1.024 201 V CB -0.588 31.221 31.823 -0.024 0.000 0.648 201 V HN 0.510 nan 8.190 nan 0.000 0.447 202 E N -0.348 119.791 120.200 -0.101 0.000 2.085 202 E HA -0.297 4.052 4.350 -0.001 0.000 0.194 202 E C 2.120 178.650 176.600 -0.116 0.000 0.994 202 E CA 1.857 58.201 56.400 -0.093 0.000 0.801 202 E CB -0.244 29.416 29.700 -0.066 0.000 0.743 202 E HN 0.567 nan 8.360 nan 0.000 0.453 203 F N 1.027 120.783 119.950 -0.323 0.000 2.186 203 F HA -0.059 4.467 4.527 -0.001 0.000 0.299 203 F C 1.882 177.564 175.800 -0.198 0.000 1.090 203 F CA 1.080 58.888 58.000 -0.320 0.000 1.307 203 F CB -0.101 38.534 39.000 -0.609 0.000 1.019 203 F HN 0.000 nan 8.300 nan 0.000 0.489 204 L N -0.830 120.255 121.223 -0.229 0.000 2.056 204 L HA -0.195 4.144 4.340 -0.001 0.000 0.207 204 L C 2.364 179.080 176.870 -0.256 0.000 1.078 204 L CA 0.964 55.653 54.840 -0.252 0.000 0.749 204 L CB -0.769 41.195 42.059 -0.158 0.000 0.901 204 L HN -0.010 nan 8.230 nan 0.000 0.433 205 V N 0.048 119.798 119.914 -0.274 0.000 2.307 205 V HA -0.252 3.867 4.120 -0.001 0.000 0.245 205 V C 2.196 178.187 176.094 -0.172 0.000 1.045 205 V CA 1.792 63.916 62.300 -0.293 0.000 1.024 205 V CB -0.659 30.913 31.823 -0.418 0.000 0.651 205 V HN 0.482 nan 8.190 nan 0.000 0.449 206 N N 0.061 118.646 118.700 -0.192 0.000 2.166 206 N HA -0.130 4.610 4.740 -0.001 0.000 0.186 206 N C 1.905 177.302 175.510 -0.189 0.000 1.019 206 N CA 1.876 54.834 53.050 -0.154 0.000 0.856 206 N CB -0.604 37.804 38.487 -0.131 0.000 0.993 206 N HN 0.450 nan 8.380 nan 0.000 0.426 207 T N 0.587 114.937 114.554 -0.340 0.000 2.746 207 T HA -0.142 4.208 4.350 -0.001 0.000 0.267 207 T C 1.479 176.089 174.700 -0.150 0.000 1.039 207 T CA 0.648 62.538 62.100 -0.349 0.000 1.142 207 T CB -0.210 68.297 68.868 -0.602 0.000 0.866 207 T HN 0.432 nan 8.240 nan 0.000 0.444 208 W N 2.280 123.416 121.300 -0.274 0.000 2.363 208 W HA -0.068 4.591 4.660 -0.001 0.000 0.296 208 W C 1.719 178.150 176.519 -0.147 0.000 1.212 208 W CA 1.113 58.340 57.345 -0.196 0.000 1.260 208 W CB -0.159 29.178 29.460 -0.206 0.000 1.131 208 W HN 0.257 nan 8.180 nan 0.000 0.530 209 K N 0.245 120.668 120.400 0.039 0.000 2.365 209 K HA -0.105 4.214 4.320 -0.001 0.000 0.199 209 K C 2.065 178.618 176.600 -0.078 0.000 1.045 209 K CA 1.415 57.694 56.287 -0.014 0.000 0.962 209 K CB -0.222 32.280 32.500 0.003 0.000 0.759 209 K HN 0.044 nan 8.250 nan 0.000 0.469 210 S N 0.561 116.198 115.700 -0.105 0.000 2.561 210 S HA 0.017 4.486 4.470 -0.001 0.000 0.225 210 S C 0.438 174.964 174.600 -0.122 0.000 0.977 210 S CA 0.241 58.381 58.200 -0.100 0.000 0.926 210 S CB 0.049 63.188 63.200 -0.101 0.000 0.769 210 S HN -0.039 nan 8.310 nan 0.000 0.533 211 K N 1.697 121.987 120.400 -0.183 0.000 2.138 211 K HA 0.406 4.726 4.320 -0.001 0.000 0.263 211 K C 0.428 176.918 176.600 -0.184 0.000 0.965 211 K CA -0.541 55.623 56.287 -0.204 0.000 0.868 211 K CB 1.392 33.704 32.500 -0.312 0.000 1.083 211 K HN 0.114 nan 8.250 nan 0.000 0.443 212 K N 1.001 121.322 120.400 -0.132 0.000 2.026 212 K HA -0.051 4.269 4.320 -0.001 0.000 0.208 212 K C 0.139 176.669 176.600 -0.117 0.000 1.048 212 K CA 1.121 57.348 56.287 -0.100 0.000 0.929 212 K CB 0.126 32.584 32.500 -0.070 0.000 0.713 212 K HN 0.430 nan 8.250 nan 0.000 0.439 213 N N 1.305 119.922 118.700 -0.138 0.000 2.762 213 N HA 0.199 4.938 4.740 -0.001 0.000 0.252 213 N C -2.827 172.556 175.510 -0.211 0.000 1.269 213 N CA -1.183 51.788 53.050 -0.131 0.000 0.799 213 N CB 1.512 39.957 38.487 -0.070 0.000 1.173 213 N HN 0.051 nan 8.380 nan 0.000 0.516 214 P HA 0.083 nan 4.420 nan 0.000 0.269 214 P C -0.243 176.686 177.300 -0.618 0.000 1.209 214 P CA -0.138 62.471 63.100 -0.817 0.000 0.776 214 P CB 1.186 31.782 31.700 -1.839 0.000 0.876 215 M N 1.932 121.198 119.600 -0.557 0.000 2.371 215 M HA 0.610 5.089 4.480 -0.001 0.000 0.287 215 M C -1.401 174.801 176.300 -0.163 0.000 1.149 215 M CA -0.244 54.848 55.300 -0.348 0.000 0.929 215 M CB 2.392 34.880 32.600 -0.187 0.000 1.683 215 M HN 0.611 nan 8.290 nan 0.000 0.470 216 G N 3.678 112.497 108.800 0.032 0.000 2.690 216 G HA2 0.842 4.801 3.960 -0.001 0.000 0.293 216 G HA3 0.842 4.801 3.960 -0.001 0.000 0.293 216 G C -2.039 172.963 174.900 0.171 0.000 1.399 216 G CA -0.602 44.583 45.100 0.142 0.000 0.890 216 G HN 0.849 nan 8.290 nan 0.000 0.485 217 F N -0.568 119.352 119.950 -0.050 0.000 2.693 217 F HA 0.813 5.339 4.527 -0.001 0.000 0.309 217 F C -0.324 175.473 175.800 -0.006 0.000 1.129 217 F CA -1.450 56.522 58.000 -0.046 0.000 0.948 217 F CB 1.350 40.306 39.000 -0.073 0.000 1.315 217 F HN 0.673 nan 8.300 nan 0.000 0.447 218 S N 0.928 116.686 115.700 0.096 0.000 2.549 218 S HA 0.658 5.127 4.470 -0.001 0.000 0.297 218 S C -1.653 173.109 174.600 0.270 0.000 1.115 218 S CA -0.598 57.631 58.200 0.049 0.000 1.059 218 S CB 1.708 64.932 63.200 0.040 0.000 1.046 218 S HN 0.878 nan 8.310 nan 0.000 0.506 219 Y N 1.566 121.954 120.300 0.147 0.000 2.345 219 Y HA 0.430 4.980 4.550 -0.001 0.000 0.331 219 Y C -0.883 175.138 175.900 0.201 0.000 0.959 219 Y CA -0.861 57.404 58.100 0.276 0.000 1.204 219 Y CB 1.228 39.948 38.460 0.433 0.000 1.135 219 Y HN 0.889 nan 8.280 nan 0.000 0.477 220 D N 4.470 124.714 120.400 -0.259 0.000 2.396 220 D HA 0.220 4.859 4.640 -0.001 0.000 0.225 220 D C -0.681 175.487 176.300 -0.220 0.000 1.121 220 D CA -0.085 53.832 54.000 -0.139 0.000 0.853 220 D CB 0.864 41.612 40.800 -0.086 0.000 1.043 220 D HN 0.445 nan 8.370 nan 0.000 0.500 221 T N 3.704 118.295 114.554 0.061 0.000 2.869 221 T HA 0.129 4.478 4.350 -0.001 0.000 0.295 221 T C 0.358 175.150 174.700 0.155 0.000 0.987 221 T CA -0.582 61.633 62.100 0.192 0.000 1.109 221 T CB 0.878 70.073 68.868 0.545 0.000 0.932 221 T HN 0.308 nan 8.240 nan 0.000 0.518 222 R N 2.342 122.897 120.500 0.092 0.000 2.288 222 R HA 0.096 4.435 4.340 -0.001 0.000 0.330 222 R C 0.124 176.526 176.300 0.170 0.000 1.069 222 R CA -0.167 55.978 56.100 0.075 0.000 0.941 222 R CB -0.783 29.504 30.300 -0.023 0.000 0.998 222 R HN 0.955 nan 8.270 nan 0.000 0.452 223 C N 6.691 126.122 119.300 0.219 0.000 3.112 223 C HA -0.197 4.262 4.460 -0.001 0.000 0.265 223 C C 1.325 176.525 174.990 0.350 0.000 1.283 223 C CA 0.173 59.371 59.018 0.300 0.000 2.378 223 C CB -2.433 25.533 27.740 0.376 0.000 1.500 223 C HN 1.039 nan 8.230 nan 0.000 0.483 224 F N 1.970 122.038 119.950 0.196 0.000 2.087 224 F HA -0.141 4.386 4.527 -0.001 0.000 0.299 224 F C 1.848 177.754 175.800 0.177 0.000 1.100 224 F CA 2.603 60.717 58.000 0.190 0.000 1.226 224 F CB -0.118 38.982 39.000 0.167 0.000 0.983 224 F HN 0.584 nan 8.300 nan 0.000 0.479 225 D N -0.469 120.185 120.400 0.424 0.000 2.158 225 D HA -0.171 4.468 4.640 -0.001 0.000 0.197 225 D C 2.429 178.794 176.300 0.108 0.000 0.995 225 D CA 1.713 55.881 54.000 0.280 0.000 0.846 225 D CB -0.533 40.426 40.800 0.263 0.000 0.941 225 D HN 0.258 nan 8.370 nan 0.000 0.456 226 S N -0.589 115.185 115.700 0.123 0.000 2.481 226 S HA -0.084 4.385 4.470 -0.001 0.000 0.231 226 S C 1.986 176.533 174.600 -0.089 0.000 0.996 226 S CA 1.270 59.432 58.200 -0.063 0.000 0.942 226 S CB -0.109 63.034 63.200 -0.094 0.000 0.768 226 S HN 0.516 nan 8.310 nan 0.000 0.520 227 T N -0.667 113.926 114.554 0.065 0.000 3.081 227 T HA 0.161 4.510 4.350 -0.001 0.000 0.255 227 T C 0.592 175.221 174.700 -0.119 0.000 1.113 227 T CA -0.036 62.094 62.100 0.050 0.000 1.082 227 T CB -0.352 68.506 68.868 -0.017 0.000 0.939 227 T HN 0.020 nan 8.240 nan 0.000 0.506 228 V N 4.054 123.866 119.914 -0.170 0.000 2.479 228 V HA 0.324 4.444 4.120 -0.001 0.000 0.281 228 V C 1.139 177.182 176.094 -0.086 0.000 1.031 228 V CA -0.162 62.060 62.300 -0.130 0.000 1.038 228 V CB 0.172 31.968 31.823 -0.046 0.000 0.981 228 V HN 0.729 nan 8.190 nan 0.000 0.478 229 T N 0.823 115.340 114.554 -0.061 0.000 2.923 229 T HA 0.333 4.682 4.350 -0.001 0.000 0.281 229 T C 1.025 175.707 174.700 -0.030 0.000 0.995 229 T CA -0.337 61.732 62.100 -0.051 0.000 0.985 229 T CB 1.537 70.381 68.868 -0.040 0.000 1.114 229 T HN 0.669 nan 8.240 nan 0.000 0.548 230 E N 0.415 120.599 120.200 -0.027 0.000 2.085 230 E HA -0.273 4.076 4.350 -0.001 0.000 0.194 230 E C 1.949 178.550 176.600 0.003 0.000 0.994 230 E CA 1.705 58.101 56.400 -0.007 0.000 0.801 230 E CB -0.245 29.451 29.700 -0.006 0.000 0.743 230 E HN 0.775 nan 8.360 nan 0.000 0.453 231 N N 0.638 119.336 118.700 -0.004 0.000 2.069 231 N HA -0.208 4.532 4.740 -0.001 0.000 0.191 231 N C 1.490 177.013 175.510 0.022 0.000 1.031 231 N CA 2.147 55.201 53.050 0.006 0.000 0.852 231 N CB -0.129 38.352 38.487 -0.008 0.000 1.018 231 N HN 0.125 nan 8.380 nan 0.000 0.423 232 D N 0.120 120.531 120.400 0.019 0.000 2.123 232 D HA -0.127 4.512 4.640 -0.001 0.000 0.196 232 D C 1.962 178.272 176.300 0.017 0.000 0.992 232 D CA 1.086 55.108 54.000 0.036 0.000 0.833 232 D CB -0.271 40.544 40.800 0.025 0.000 0.954 232 D HN 0.479 nan 8.370 nan 0.000 0.455 233 I N 0.407 120.988 120.570 0.017 0.000 2.394 233 I HA -0.166 4.003 4.170 -0.001 0.000 0.251 233 I C 2.423 178.549 176.117 0.014 0.000 1.136 233 I CA 0.781 62.097 61.300 0.026 0.000 1.425 233 I CB -0.072 37.965 38.000 0.062 0.000 1.079 233 I HN -0.112 nan 8.210 nan 0.000 0.425 234 R N 0.030 120.538 120.500 0.013 0.000 2.119 234 R HA -0.041 4.299 4.340 -0.001 0.000 0.222 234 R C 2.326 178.607 176.300 -0.032 0.000 1.088 234 R CA 0.775 56.878 56.100 0.005 0.000 0.984 234 R CB -0.188 30.119 30.300 0.013 0.000 0.884 234 R HN 0.182 nan 8.270 nan 0.000 0.447 235 V N 1.637 121.533 119.914 -0.030 0.000 2.358 235 V HA -0.228 3.891 4.120 -0.001 0.000 0.246 235 V C 1.912 177.911 176.094 -0.158 0.000 1.047 235 V CA 1.813 64.079 62.300 -0.056 0.000 1.035 235 V CB -0.359 31.465 31.823 0.002 0.000 0.658 235 V HN 0.366 nan 8.190 nan 0.000 0.452 236 E N -0.254 119.823 120.200 -0.205 0.000 2.077 236 E HA -0.271 4.079 4.350 -0.001 0.000 0.193 236 E C 2.246 178.373 176.600 -0.789 0.000 0.989 236 E CA 1.304 57.424 56.400 -0.466 0.000 0.800 236 E CB -0.185 29.290 29.700 -0.376 0.000 0.746 236 E HN 0.629 nan 8.360 nan 0.000 0.452 237 E N 0.905 120.873 120.200 -0.386 0.000 2.077 237 E HA -0.182 4.167 4.350 -0.001 0.000 0.193 237 E C 2.228 178.749 176.600 -0.131 0.000 0.989 237 E CA 1.463 57.759 56.400 -0.173 0.000 0.800 237 E CB 0.043 29.774 29.700 0.052 0.000 0.746 237 E HN 0.225 nan 8.360 nan 0.000 0.452 238 S N 0.331 115.956 115.700 -0.126 0.000 2.399 238 S HA -0.139 4.330 4.470 -0.001 0.000 0.231 238 S C 2.042 176.587 174.600 -0.092 0.000 1.022 238 S CA 0.905 59.060 58.200 -0.074 0.000 0.983 238 S CB -0.490 62.673 63.200 -0.061 0.000 0.803 238 S HN 0.276 nan 8.310 nan 0.000 0.480 239 I N -0.005 120.451 120.570 -0.189 0.000 2.286 239 I HA -0.106 4.063 4.170 -0.001 0.000 0.245 239 I C 2.281 178.372 176.117 -0.043 0.000 1.104 239 I CA 1.182 62.389 61.300 -0.155 0.000 1.397 239 I CB -0.463 37.397 38.000 -0.233 0.000 1.072 239 I HN 0.218 nan 8.210 nan 0.000 0.417 240 Y N 1.053 121.341 120.300 -0.021 0.000 2.181 240 Y HA -0.218 4.332 4.550 -0.001 0.000 0.288 240 Y C 2.641 178.539 175.900 -0.005 0.000 1.146 240 Y CA 0.674 58.765 58.100 -0.015 0.000 1.164 240 Y CB -1.052 37.411 38.460 0.005 0.000 0.982 240 Y HN 0.223 nan 8.280 nan 0.000 0.515 241 Q N -1.204 118.686 119.800 0.150 0.000 2.437 241 Q HA -0.120 4.220 4.340 -0.001 0.000 0.210 241 Q C 2.254 178.284 176.000 0.050 0.000 0.972 241 Q CA 0.851 56.706 55.803 0.087 0.000 0.903 241 Q CB -0.783 27.990 28.738 0.059 0.000 0.967 241 Q HN 0.512 nan 8.270 nan 0.000 0.486 242 C N -0.027 119.295 119.300 0.037 0.000 2.468 242 C HA 0.009 4.468 4.460 -0.001 0.000 0.277 242 C C 1.551 176.554 174.990 0.021 0.000 1.400 242 C CA -0.763 58.264 59.018 0.016 0.000 1.770 242 C CB -0.606 27.132 27.740 -0.003 0.000 1.905 242 C HN 0.404 nan 8.230 nan 0.000 0.519 243 C N 1.880 121.202 119.300 0.037 0.000 2.700 243 C HA 0.120 4.580 4.460 -0.001 0.000 0.397 243 C C 0.575 175.581 174.990 0.026 0.000 1.301 243 C CA -0.157 58.878 59.018 0.029 0.000 2.219 243 C CB -0.186 27.576 27.740 0.037 0.000 2.699 243 C HN 0.502 nan 8.230 nan 0.000 0.669 244 D N 1.811 122.222 120.400 0.019 0.000 2.352 244 D HA 0.453 5.092 4.640 -0.001 0.000 0.245 244 D C -0.665 175.650 176.300 0.025 0.000 1.224 244 D CA 0.308 54.319 54.000 0.019 0.000 0.879 244 D CB 0.013 40.820 40.800 0.013 0.000 1.057 244 D HN 0.391 nan 8.370 nan 0.000 0.491 245 L N 1.957 123.199 121.223 0.032 0.000 2.333 245 L HA 0.663 5.002 4.340 -0.001 0.000 0.263 245 L C 0.351 177.247 176.870 0.043 0.000 1.014 245 L CA -1.453 53.411 54.840 0.041 0.000 0.820 245 L CB 1.822 43.911 42.059 0.051 0.000 1.352 245 L HN 0.313 nan 8.230 nan 0.000 0.421 246 A N 1.571 124.423 122.820 0.053 0.000 2.425 246 A HA 0.389 4.708 4.320 -0.001 0.000 0.249 246 A C -1.833 175.788 177.584 0.061 0.000 1.084 246 A CA -0.945 51.125 52.037 0.056 0.000 0.781 246 A CB -0.026 19.014 19.000 0.068 0.000 1.019 246 A HN 0.630 nan 8.150 nan 0.000 0.490 247 P HA -0.205 nan 4.420 nan 0.000 0.216 247 P C 1.293 178.623 177.300 0.049 0.000 1.150 247 P CA 1.704 64.830 63.100 0.042 0.000 0.843 247 P CB 0.246 31.966 31.700 0.034 0.000 0.787 248 E N -0.519 119.729 120.200 0.081 0.000 2.150 248 E HA -0.164 4.185 4.350 -0.001 0.000 0.193 248 E C 1.875 178.548 176.600 0.121 0.000 0.985 248 E CA 1.058 57.525 56.400 0.112 0.000 0.814 248 E CB -0.406 29.421 29.700 0.211 0.000 0.752 248 E HN 0.096 nan 8.360 nan 0.000 0.466 249 A N 1.193 124.103 122.820 0.151 0.000 1.897 249 A HA -0.110 4.210 4.320 -0.001 0.000 0.215 249 A C 2.126 179.755 177.584 0.074 0.000 1.181 249 A CA 1.049 53.180 52.037 0.157 0.000 0.620 249 A CB -0.335 18.752 19.000 0.145 0.000 0.821 249 A HN 0.150 nan 8.150 nan 0.000 0.443 250 R N -0.947 119.586 120.500 0.055 0.000 2.091 250 R HA -0.202 4.138 4.340 -0.001 0.000 0.238 250 R C 2.479 178.783 176.300 0.007 0.000 1.136 250 R CA 1.771 57.895 56.100 0.039 0.000 0.959 250 R CB -0.281 30.039 30.300 0.034 0.000 0.856 250 R HN 0.639 nan 8.270 nan 0.000 0.437 251 Q N 0.634 120.419 119.800 -0.025 0.000 2.079 251 Q HA -0.087 4.253 4.340 -0.001 0.000 0.200 251 Q C 1.935 177.853 176.000 -0.136 0.000 0.974 251 Q CA 1.950 57.708 55.803 -0.075 0.000 0.840 251 Q CB -0.200 28.480 28.738 -0.095 0.000 0.898 251 Q HN 0.340 nan 8.270 nan 0.000 0.430 252 A N 0.170 122.873 122.820 -0.195 0.000 1.902 252 A HA -0.133 4.186 4.320 -0.001 0.000 0.217 252 A C 2.111 179.619 177.584 -0.127 0.000 1.181 252 A CA 1.510 53.365 52.037 -0.303 0.000 0.623 252 A CB -0.715 18.014 19.000 -0.452 0.000 0.818 252 A HN 0.487 nan 8.150 nan 0.000 0.443 253 I N -0.572 119.989 120.570 -0.016 0.000 2.252 253 I HA -0.236 3.934 4.170 -0.001 0.000 0.245 253 I C 2.530 178.693 176.117 0.076 0.000 1.102 253 I CA 1.742 63.088 61.300 0.076 0.000 1.385 253 I CB -0.257 37.816 38.000 0.122 0.000 1.064 253 I HN 0.411 nan 8.210 nan 0.000 0.414 254 K N 0.719 121.136 120.400 0.029 0.000 2.026 254 K HA -0.214 4.105 4.320 -0.001 0.000 0.208 254 K C 2.363 178.949 176.600 -0.024 0.000 1.048 254 K CA 1.901 58.200 56.287 0.019 0.000 0.929 254 K CB -0.131 32.368 32.500 -0.003 0.000 0.713 254 K HN 0.094 nan 8.250 nan 0.000 0.439 255 S N 0.700 116.353 115.700 -0.078 0.000 2.356 255 S HA -0.091 4.378 4.470 -0.001 0.000 0.223 255 S C 1.959 176.467 174.600 -0.153 0.000 1.032 255 S CA 1.205 59.333 58.200 -0.119 0.000 1.005 255 S CB -0.266 62.830 63.200 -0.174 0.000 0.867 255 S HN 0.367 nan 8.310 nan 0.000 0.449 256 L N 0.648 121.756 121.223 -0.192 0.000 2.131 256 L HA -0.090 4.249 4.340 -0.001 0.000 0.210 256 L C 2.714 179.298 176.870 -0.476 0.000 1.092 256 L CA 1.411 56.014 54.840 -0.394 0.000 0.759 256 L CB -0.883 40.922 42.059 -0.423 0.000 0.903 256 L HN 0.342 nan 8.230 nan 0.000 0.435 257 T N -1.030 113.459 114.554 -0.107 0.000 2.701 257 T HA -0.131 4.218 4.350 -0.001 0.000 0.263 257 T C 1.792 176.503 174.700 0.017 0.000 1.040 257 T CA 1.082 63.242 62.100 0.099 0.000 1.147 257 T CB -0.058 68.926 68.868 0.193 0.000 0.865 257 T HN 0.283 nan 8.240 nan 0.000 0.426 258 E N 1.195 121.384 120.200 -0.018 0.000 2.106 258 E HA -0.036 4.313 4.350 -0.001 0.000 0.192 258 E C 2.337 178.916 176.600 -0.036 0.000 0.984 258 E CA 0.975 57.365 56.400 -0.016 0.000 0.806 258 E CB -0.119 29.568 29.700 -0.022 0.000 0.750 258 E HN 0.476 nan 8.360 nan 0.000 0.458 259 R N -0.529 119.921 120.500 -0.083 0.000 2.223 259 R HA 0.118 4.458 4.340 -0.001 0.000 0.198 259 R C 1.920 178.151 176.300 -0.116 0.000 0.984 259 R CA 0.301 56.350 56.100 -0.086 0.000 1.018 259 R CB 0.242 30.483 30.300 -0.097 0.000 0.945 259 R HN 0.042 nan 8.270 nan 0.000 0.479 260 L N -1.993 119.112 121.223 -0.197 0.000 2.638 260 L HA 0.198 4.537 4.340 -0.001 0.000 0.195 260 L C 1.323 178.148 176.870 -0.075 0.000 1.065 260 L CA 0.752 55.470 54.840 -0.204 0.000 0.859 260 L CB -0.198 41.652 42.059 -0.349 0.000 1.269 260 L HN -0.134 nan 8.230 nan 0.000 0.484 261 Y N 0.519 120.831 120.300 0.019 0.000 2.181 261 Y HA -0.065 4.484 4.550 -0.001 0.000 0.288 261 Y C 2.539 178.441 175.900 0.004 0.000 1.146 261 Y CA 1.456 59.574 58.100 0.031 0.000 1.164 261 Y CB -0.921 37.581 38.460 0.071 0.000 0.982 261 Y HN 0.128 nan 8.280 nan 0.000 0.515 262 I N -1.044 119.608 120.570 0.137 0.000 2.394 262 I HA -0.026 4.143 4.170 -0.001 0.000 0.251 262 I C 1.244 177.362 176.117 0.001 0.000 1.136 262 I CA 1.242 62.580 61.300 0.063 0.000 1.425 262 I CB -0.446 37.583 38.000 0.049 0.000 1.079 262 I HN 0.310 nan 8.210 nan 0.000 0.425 263 G N -0.820 107.958 108.800 -0.037 0.000 2.327 263 G HA2 0.475 4.434 3.960 -0.001 0.000 0.291 263 G HA3 0.475 4.434 3.960 -0.001 0.000 0.291 263 G C -0.965 173.764 174.900 -0.284 0.000 1.290 263 G CA -0.157 44.845 45.100 -0.164 0.000 0.857 263 G HN 0.421 nan 8.290 nan 0.000 0.520 264 G N -1.026 107.329 108.800 -0.742 0.000 2.336 264 G HA2 0.675 4.634 3.960 -0.001 0.000 0.300 264 G HA3 0.675 4.634 3.960 -0.001 0.000 0.300 264 G C -3.460 170.812 174.900 -1.047 0.000 1.375 264 G CA 0.166 44.803 45.100 -0.772 0.000 0.885 264 G HN 0.817 nan 8.290 nan 0.000 0.599 265 P HA 0.468 nan 4.420 nan 0.000 0.274 265 P C -0.530 176.675 177.300 -0.158 0.000 1.231 265 P CA -0.170 62.824 63.100 -0.178 0.000 0.790 265 P CB 1.224 32.956 31.700 0.053 0.000 0.951 266 L N 1.932 123.102 121.223 -0.089 0.000 2.322 266 L HA 0.480 4.820 4.340 -0.001 0.000 0.281 266 L C 0.401 177.261 176.870 -0.017 0.000 1.014 266 L CA -0.242 54.563 54.840 -0.057 0.000 0.815 266 L CB 1.733 43.775 42.059 -0.027 0.000 1.247 266 L HN 0.286 nan 8.230 nan 0.000 0.421 267 T N 1.329 115.856 114.554 -0.045 0.000 2.841 267 T HA 0.312 4.661 4.350 -0.001 0.000 0.285 267 T C -0.232 174.444 174.700 -0.041 0.000 0.991 267 T CA -0.872 61.207 62.100 -0.035 0.000 0.966 267 T CB 1.426 70.258 68.868 -0.061 0.000 0.962 267 T HN 0.656 nan 8.240 nan 0.000 0.438 268 N N 0.981 119.678 118.700 -0.006 0.000 2.327 268 N HA 0.092 4.831 4.740 -0.001 0.000 0.257 268 N C 1.464 176.963 175.510 -0.019 0.000 1.281 268 N CA -0.213 52.836 53.050 -0.001 0.000 0.942 268 N CB 0.106 38.605 38.487 0.020 0.000 1.199 268 N HN 0.448 nan 8.380 nan 0.000 0.532 269 S N -1.490 114.209 115.700 -0.002 0.000 2.469 269 S HA -0.094 4.375 4.470 -0.001 0.000 0.238 269 S C 0.988 175.582 174.600 -0.010 0.000 0.998 269 S CA 0.674 58.873 58.200 -0.001 0.000 0.957 269 S CB -0.435 62.778 63.200 0.022 0.000 0.764 269 S HN 0.622 nan 8.310 nan 0.000 0.514 270 K N 0.514 120.910 120.400 -0.007 0.000 2.404 270 K HA 0.278 4.597 4.320 -0.001 0.000 0.194 270 K C 1.138 177.729 176.600 -0.016 0.000 1.023 270 K CA 0.366 56.648 56.287 -0.008 0.000 1.094 270 K CB 0.040 32.540 32.500 -0.000 0.000 0.841 270 K HN 0.525 nan 8.250 nan 0.000 0.523 271 G N 1.911 110.697 108.800 -0.024 0.000 2.132 271 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.234 271 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.234 271 G C -0.322 174.570 174.900 -0.013 0.000 0.989 271 G CA -0.155 44.928 45.100 -0.030 0.000 0.676 271 G HN 0.324 nan 8.290 nan 0.000 0.522 272 Q N -0.081 119.719 119.800 -0.001 0.000 2.230 272 Q HA 0.326 4.665 4.340 -0.001 0.000 0.253 272 Q C 0.329 176.343 176.000 0.024 0.000 0.919 272 Q CA -0.635 55.177 55.803 0.014 0.000 0.908 272 Q CB 1.146 29.896 28.738 0.021 0.000 1.245 272 Q HN 0.392 nan 8.270 nan 0.000 0.437 273 N N 1.695 120.415 118.700 0.034 0.000 2.416 273 N HA 0.003 4.742 4.740 -0.001 0.000 0.265 273 N C -0.085 175.473 175.510 0.079 0.000 1.195 273 N CA -0.393 52.686 53.050 0.048 0.000 0.943 273 N CB 0.487 39.004 38.487 0.050 0.000 1.115 273 N HN 0.599 nan 8.380 nan 0.000 0.481 274 C N 3.029 122.389 119.300 0.101 0.000 2.533 274 C HA 0.353 4.813 4.460 -0.001 0.000 0.272 274 C C 1.281 176.419 174.990 0.245 0.000 1.371 274 C CA 0.571 59.704 59.018 0.192 0.000 1.758 274 C CB -1.179 26.703 27.740 0.237 0.000 1.972 274 C HN 0.969 nan 8.230 nan 0.000 0.522 275 G N -1.665 107.197 108.800 0.105 0.000 2.373 275 G HA2 0.295 4.254 3.960 -0.001 0.000 0.250 275 G HA3 0.295 4.254 3.960 -0.001 0.000 0.250 275 G C -2.128 172.775 174.900 0.004 0.000 1.304 275 G CA -0.405 44.698 45.100 0.005 0.000 0.948 275 G HN 0.016 nan 8.290 nan 0.000 0.474 276 Y N 0.666 120.813 120.300 -0.254 0.000 2.470 276 Y HA 0.749 5.298 4.550 -0.001 0.000 0.341 276 Y C 0.026 175.811 175.900 -0.192 0.000 1.021 276 Y CA -0.836 57.159 58.100 -0.176 0.000 1.025 276 Y CB 2.000 40.377 38.460 -0.138 0.000 1.266 276 Y HN 0.703 nan 8.280 nan 0.000 0.448 277 R N 4.712 124.953 120.500 -0.432 0.000 2.407 277 R HA 0.549 4.888 4.340 -0.001 0.000 0.303 277 R C -0.608 175.486 176.300 -0.344 0.000 0.981 277 R CA -0.499 55.377 56.100 -0.374 0.000 0.905 277 R CB 0.870 31.023 30.300 -0.245 0.000 1.099 277 R HN 0.919 nan 8.270 nan 0.000 0.459 278 R N 3.167 123.451 120.500 -0.360 0.000 2.642 278 R HA 0.199 4.539 4.340 -0.001 0.000 0.435 278 R C -0.529 175.620 176.300 -0.251 0.000 1.046 278 R CA -0.269 55.712 56.100 -0.198 0.000 1.103 278 R CB 0.519 30.755 30.300 -0.107 0.000 1.425 278 R HN 0.791 nan 8.270 nan 0.000 0.586 279 C N -1.666 117.429 119.300 -0.343 0.000 3.308 279 C HA 0.633 5.092 4.460 -0.001 0.000 0.360 279 C C -0.101 174.808 174.990 -0.135 0.000 1.695 279 C CA -1.486 57.375 59.018 -0.261 0.000 1.366 279 C CB 1.230 28.736 27.740 -0.390 0.000 2.121 279 C HN 0.329 nan 8.230 nan 0.000 0.442 280 R N 1.167 121.641 120.500 -0.044 0.000 2.570 280 R HA 0.473 4.812 4.340 -0.001 0.000 0.277 280 R C 0.001 176.351 176.300 0.083 0.000 1.039 280 R CA 0.957 57.089 56.100 0.052 0.000 1.065 280 R CB -0.054 30.319 30.300 0.121 0.000 0.964 280 R HN 1.181 nan 8.270 nan 0.000 0.428 281 A N 3.461 126.349 122.820 0.114 0.000 2.320 281 A HA 0.255 4.574 4.320 -0.001 0.000 0.287 281 A C 0.891 178.573 177.584 0.164 0.000 1.181 281 A CA -0.031 52.094 52.037 0.146 0.000 0.831 281 A CB 0.585 19.681 19.000 0.160 0.000 1.102 281 A HN 1.004 nan 8.150 nan 0.000 0.513 282 S N 2.009 117.818 115.700 0.183 0.000 2.522 282 S HA 0.069 4.539 4.470 -0.001 0.000 0.227 282 S C 1.046 175.742 174.600 0.160 0.000 0.986 282 S CA 0.742 59.045 58.200 0.171 0.000 0.929 282 S CB 0.073 63.380 63.200 0.179 0.000 0.769 282 S HN 1.246 nan 8.310 nan 0.000 0.529 283 G N 1.839 110.756 108.800 0.195 0.000 4.644 283 G HA2 0.525 4.485 3.960 -0.001 0.000 0.307 283 G HA3 0.525 4.485 3.960 -0.001 0.000 0.307 283 G C -0.202 174.826 174.900 0.212 0.000 1.331 283 G CA -0.177 45.044 45.100 0.201 0.000 1.059 283 G HN 0.546 nan 8.290 nan 0.000 0.590 284 V N -2.309 117.714 119.914 0.183 0.000 3.046 284 V HA 0.580 4.700 4.120 -0.001 0.000 0.316 284 V C 1.355 177.533 176.094 0.140 0.000 1.104 284 V CA -0.969 61.460 62.300 0.216 0.000 1.006 284 V CB 1.759 33.784 31.823 0.337 0.000 1.058 284 V HN 0.083 nan 8.190 nan 0.000 0.440 285 L N 2.464 123.782 121.223 0.159 0.000 2.079 285 L HA -0.059 4.280 4.340 -0.001 0.000 0.210 285 L C 2.320 179.200 176.870 0.016 0.000 1.081 285 L CA 3.061 57.970 54.840 0.115 0.000 0.752 285 L CB -0.645 41.508 42.059 0.156 0.000 0.896 285 L HN 1.099 nan 8.230 nan 0.000 0.433 286 T N -6.023 108.464 114.554 -0.112 0.000 3.129 286 T HA -0.006 4.343 4.350 -0.001 0.000 0.251 286 T C 1.582 176.211 174.700 -0.117 0.000 1.117 286 T CA 0.726 62.700 62.100 -0.209 0.000 1.034 286 T CB -0.706 67.863 68.868 -0.498 0.000 0.968 286 T HN 0.273 nan 8.240 nan 0.000 0.526 287 T N 2.016 116.540 114.554 -0.050 0.000 2.665 287 T HA -0.170 4.180 4.350 -0.001 0.000 0.268 287 T C 2.201 176.911 174.700 0.017 0.000 1.035 287 T CA 1.839 63.947 62.100 0.013 0.000 1.151 287 T CB -0.628 68.274 68.868 0.057 0.000 0.862 287 T HN 0.567 nan 8.240 nan 0.000 0.438 288 S N -0.265 115.418 115.700 -0.029 0.000 2.345 288 S HA -0.137 4.333 4.470 -0.001 0.000 0.220 288 S C 2.451 177.051 174.600 -0.000 0.000 1.031 288 S CA 1.367 59.536 58.200 -0.053 0.000 0.996 288 S CB -0.957 62.101 63.200 -0.237 0.000 0.882 288 S HN 0.672 nan 8.310 nan 0.000 0.445 289 C N 1.359 120.633 119.300 -0.043 0.000 2.429 289 C HA 0.111 4.570 4.460 -0.001 0.000 0.277 289 C C 2.801 177.827 174.990 0.061 0.000 1.262 289 C CA 1.106 60.121 59.018 -0.005 0.000 1.733 289 C CB -1.819 25.883 27.740 -0.063 0.000 2.010 289 C HN 0.720 nan 8.230 nan 0.000 0.483 290 G N 0.399 109.242 108.800 0.072 0.000 2.404 290 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.215 290 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.215 290 G C 1.525 176.504 174.900 0.132 0.000 1.174 290 G CA 0.984 46.140 45.100 0.094 0.000 0.780 290 G HN 0.574 nan 8.290 nan 0.000 0.537 291 N N 0.443 119.225 118.700 0.137 0.000 2.120 291 N HA -0.079 4.661 4.740 -0.001 0.000 0.188 291 N C 2.397 177.948 175.510 0.069 0.000 1.024 291 N CA 1.597 54.739 53.050 0.152 0.000 0.852 291 N CB -0.697 37.780 38.487 -0.018 0.000 1.003 291 N HN 0.238 nan 8.380 nan 0.000 0.424 292 T N 1.649 116.253 114.554 0.085 0.000 2.708 292 T HA -0.007 4.342 4.350 -0.001 0.000 0.266 292 T C 2.129 176.909 174.700 0.134 0.000 1.037 292 T CA 0.699 62.870 62.100 0.119 0.000 1.146 292 T CB -0.303 68.702 68.868 0.229 0.000 0.865 292 T HN 0.126 nan 8.240 nan 0.000 0.435 293 L N 0.622 121.900 121.223 0.092 0.000 2.046 293 L HA -0.123 4.216 4.340 -0.001 0.000 0.208 293 L C 2.935 179.892 176.870 0.146 0.000 1.077 293 L CA 1.268 56.147 54.840 0.066 0.000 0.747 293 L CB -0.988 41.067 42.059 -0.008 0.000 0.896 293 L HN 0.290 nan 8.230 nan 0.000 0.432 294 T N -1.442 113.218 114.554 0.176 0.000 2.821 294 T HA -0.217 4.133 4.350 -0.001 0.000 0.267 294 T C 2.001 176.896 174.700 0.324 0.000 1.046 294 T CA 1.386 63.625 62.100 0.231 0.000 1.139 294 T CB -0.412 68.621 68.868 0.276 0.000 0.871 294 T HN 0.469 nan 8.240 nan 0.000 0.454 295 C N 0.676 120.214 119.300 0.396 0.000 2.446 295 C HA -0.062 4.397 4.460 -0.001 0.000 0.277 295 C C 2.392 177.539 174.990 0.262 0.000 1.275 295 C CA 0.407 59.655 59.018 0.382 0.000 1.727 295 C CB -1.395 26.447 27.740 0.169 0.000 2.010 295 C HN 0.653 nan 8.230 nan 0.000 0.486 296 Y N 1.056 121.419 120.300 0.105 0.000 2.242 296 Y HA -0.073 4.476 4.550 -0.001 0.000 0.291 296 Y C 2.125 178.048 175.900 0.037 0.000 1.137 296 Y CA 1.995 60.135 58.100 0.067 0.000 1.181 296 Y CB -0.516 37.969 38.460 0.041 0.000 0.989 296 Y HN 0.348 nan 8.280 nan 0.000 0.527 297 L N 1.039 122.364 121.223 0.169 0.000 1.994 297 L HA -0.163 4.177 4.340 -0.001 0.000 0.208 297 L C 2.102 178.913 176.870 -0.099 0.000 1.071 297 L CA 1.992 56.824 54.840 -0.014 0.000 0.745 297 L CB -0.955 41.070 42.059 -0.057 0.000 0.892 297 L HN 0.122 nan 8.230 nan 0.000 0.431 298 K N -0.264 120.135 120.400 -0.001 0.000 2.026 298 K HA -0.104 4.215 4.320 -0.001 0.000 0.208 298 K C 2.104 178.704 176.600 0.000 0.000 1.048 298 K CA 1.450 57.733 56.287 -0.006 0.000 0.929 298 K CB -0.502 32.072 32.500 0.123 0.000 0.713 298 K HN 0.502 nan 8.250 nan 0.000 0.439 299 A N 1.240 124.055 122.820 -0.008 0.000 1.902 299 A HA -0.168 4.151 4.320 -0.001 0.000 0.217 299 A C 2.260 179.853 177.584 0.014 0.000 1.181 299 A CA 1.925 53.969 52.037 0.012 0.000 0.623 299 A CB -0.604 18.481 19.000 0.142 0.000 0.818 299 A HN 0.189 nan 8.150 nan 0.000 0.443 300 S N -0.046 115.550 115.700 -0.173 0.000 2.359 300 S HA -0.084 4.386 4.470 -0.001 0.000 0.224 300 S C 2.323 176.872 174.600 -0.086 0.000 1.035 300 S CA 1.311 59.382 58.200 -0.215 0.000 1.018 300 S CB -0.533 62.400 63.200 -0.445 0.000 0.876 300 S HN 0.816 nan 8.310 nan 0.000 0.448 301 A N 1.481 124.262 122.820 -0.064 0.000 1.933 301 A HA 0.115 4.434 4.320 -0.001 0.000 0.218 301 A C 2.337 179.977 177.584 0.093 0.000 1.175 301 A CA 1.690 53.746 52.037 0.031 0.000 0.628 301 A CB -1.019 18.006 19.000 0.040 0.000 0.814 301 A HN 0.522 nan 8.150 nan 0.000 0.444 302 A N -0.997 121.881 122.820 0.097 0.000 1.969 302 A HA -0.177 4.142 4.320 -0.001 0.000 0.218 302 A C 2.369 179.995 177.584 0.071 0.000 1.169 302 A CA 1.628 53.606 52.037 -0.098 0.000 0.635 302 A CB -1.371 17.195 19.000 -0.723 0.000 0.810 302 A HN 0.990 nan 8.150 nan 0.000 0.445 303 c N -0.087 118.655 118.600 0.237 0.000 2.435 303 c HA -0.023 4.547 4.570 -0.001 0.000 0.279 303 c C 2.764 176.888 174.090 0.056 0.000 1.321 303 c CA 1.182 57.678 56.329 0.280 0.000 1.752 303 c CB -1.263 41.359 42.510 0.187 0.000 1.959 303 c HN 0.624 nan 8.230 nan 0.000 0.500 304 R N 0.875 121.319 120.500 -0.094 0.000 2.073 304 R HA 0.028 4.367 4.340 -0.001 0.000 0.229 304 R C 2.617 178.718 176.300 -0.331 0.000 1.120 304 R CA 1.479 57.406 56.100 -0.289 0.000 0.967 304 R CB -0.599 29.367 30.300 -0.557 0.000 0.862 304 R HN 0.593 nan 8.270 nan 0.000 0.436 305 A N 1.412 124.066 122.820 -0.277 0.000 1.933 305 A HA -0.085 4.234 4.320 -0.001 0.000 0.218 305 A C 2.265 179.857 177.584 0.012 0.000 1.175 305 A CA 1.717 53.729 52.037 -0.042 0.000 0.628 305 A CB -0.484 18.546 19.000 0.049 0.000 0.814 305 A HN 0.387 nan 8.150 nan 0.000 0.444 306 A N -1.437 121.404 122.820 0.036 0.000 2.169 306 A HA 0.225 4.544 4.320 -0.001 0.000 0.212 306 A C 1.036 178.645 177.584 0.042 0.000 1.153 306 A CA 0.942 53.020 52.037 0.068 0.000 0.756 306 A CB -0.391 18.709 19.000 0.167 0.000 0.813 306 A HN 0.511 nan 8.150 nan 0.000 0.471 307 K N -1.643 118.769 120.400 0.021 0.000 3.117 307 K HA -0.151 4.168 4.320 -0.001 0.000 0.269 307 K C -1.016 175.591 176.600 0.013 0.000 1.098 307 K CA 0.188 56.481 56.287 0.011 0.000 0.785 307 K CB -1.947 30.562 32.500 0.016 0.000 1.242 307 K HN 0.332 nan 8.250 nan 0.000 0.491 308 L N 1.697 122.934 121.223 0.024 0.000 2.426 308 L HA 0.039 4.379 4.340 -0.001 0.000 0.271 308 L C 0.945 177.817 176.870 0.002 0.000 1.169 308 L CA 0.711 55.560 54.840 0.015 0.000 0.836 308 L CB 0.597 42.673 42.059 0.029 0.000 1.112 308 L HN 0.078 nan 8.230 nan 0.000 0.465 309 Q N 3.216 123.011 119.800 -0.008 0.000 2.279 309 Q HA 0.121 4.460 4.340 -0.001 0.000 0.256 309 Q C -0.463 175.522 176.000 -0.025 0.000 0.937 309 Q CA -0.279 55.514 55.803 -0.016 0.000 0.933 309 Q CB 0.732 29.457 28.738 -0.021 0.000 1.189 309 Q HN 0.524 nan 8.270 nan 0.000 0.417 310 D N 0.605 120.992 120.400 -0.021 0.000 2.740 310 D HA -0.163 4.476 4.640 -0.001 0.000 0.231 310 D C -0.059 176.223 176.300 -0.030 0.000 1.194 310 D CA 0.554 54.539 54.000 -0.024 0.000 0.673 310 D CB -1.421 39.357 40.800 -0.037 0.000 0.995 310 D HN 0.681 nan 8.370 nan 0.000 0.411 311 c N -0.167 118.422 118.600 -0.018 0.000 2.624 311 c HA 0.494 5.063 4.570 -0.001 0.000 0.397 311 c C 0.963 175.046 174.090 -0.012 0.000 1.331 311 c CA -0.686 55.630 56.329 -0.023 0.000 1.716 311 c CB -0.023 42.483 42.510 -0.006 0.000 2.452 311 c HN 0.313 nan 8.230 nan 0.000 0.586 312 T N 6.497 121.039 114.554 -0.021 0.000 2.829 312 T HA 0.612 4.962 4.350 -0.001 0.000 0.282 312 T C 0.013 174.735 174.700 0.036 0.000 0.990 312 T CA -0.177 61.942 62.100 0.032 0.000 1.028 312 T CB 1.041 69.911 68.868 0.004 0.000 0.951 312 T HN 0.769 nan 8.240 nan 0.000 0.460 313 M N 2.696 122.369 119.600 0.122 0.000 2.662 313 M HA 0.625 5.104 4.480 -0.001 0.000 0.310 313 M C -1.491 174.935 176.300 0.210 0.000 1.204 313 M CA -1.141 54.221 55.300 0.104 0.000 0.891 313 M CB 2.247 34.889 32.600 0.071 0.000 1.732 313 M HN 0.294 nan 8.290 nan 0.000 0.467 314 L N 2.231 123.537 121.223 0.137 0.000 2.406 314 L HA 0.655 4.995 4.340 -0.001 0.000 0.270 314 L C -1.562 175.319 176.870 0.018 0.000 0.982 314 L CA -0.465 54.446 54.840 0.118 0.000 0.843 314 L CB 1.731 43.882 42.059 0.154 0.000 1.225 314 L HN 0.482 nan 8.230 nan 0.000 0.412 315 V N 4.410 124.316 119.914 -0.013 0.000 2.540 315 V HA 0.587 4.706 4.120 -0.001 0.000 0.302 315 V C -0.702 175.235 176.094 -0.263 0.000 1.035 315 V CA -0.625 61.645 62.300 -0.048 0.000 0.873 315 V CB 1.942 33.835 31.823 0.116 0.000 0.992 315 V HN 0.793 nan 8.190 nan 0.000 0.428 316 N N 3.617 122.113 118.700 -0.340 0.000 2.617 316 N HA 0.610 5.349 4.740 -0.001 0.000 0.263 316 N C 0.545 175.952 175.510 -0.172 0.000 1.074 316 N CA 0.464 53.099 53.050 -0.692 0.000 0.841 316 N CB 1.745 39.658 38.487 -0.956 0.000 1.221 316 N HN 1.043 nan 8.380 nan 0.000 0.529 317 G N 2.341 111.198 108.800 0.096 0.000 2.622 317 G HA2 -0.406 3.554 3.960 -0.001 0.000 0.307 317 G HA3 -0.406 3.554 3.960 -0.001 0.000 0.307 317 G C 0.551 175.314 174.900 -0.229 0.000 1.226 317 G CA 0.770 45.890 45.100 0.035 0.000 0.997 317 G HN 0.629 nan 8.290 nan 0.000 0.551 318 D N 1.237 121.418 120.400 -0.364 0.000 2.349 318 D HA 0.061 4.700 4.640 -0.001 0.000 0.224 318 D C 0.401 176.570 176.300 -0.218 0.000 1.029 318 D CA 0.782 54.391 54.000 -0.652 0.000 0.879 318 D CB -0.135 40.272 40.800 -0.657 0.000 0.906 318 D HN 0.426 nan 8.370 nan 0.000 0.528 319 D N 0.769 121.100 120.400 -0.115 0.000 2.295 319 D HA 0.266 4.906 4.640 -0.001 0.000 0.248 319 D C -0.932 175.353 176.300 -0.024 0.000 1.154 319 D CA -0.490 53.486 54.000 -0.040 0.000 0.857 319 D CB 1.188 41.958 40.800 -0.050 0.000 1.117 319 D HN 0.051 nan 8.370 nan 0.000 0.468 320 L N 4.758 126.010 121.223 0.049 0.000 2.385 320 L HA 0.496 4.836 4.340 -0.001 0.000 0.273 320 L C -1.714 175.161 176.870 0.008 0.000 0.990 320 L CA -0.622 54.258 54.840 0.065 0.000 0.821 320 L CB 1.994 44.165 42.059 0.188 0.000 1.279 320 L HN 0.128 nan 8.230 nan 0.000 0.412 321 V N 5.571 125.448 119.914 -0.062 0.000 2.588 321 V HA 0.686 4.806 4.120 -0.001 0.000 0.304 321 V C -0.978 174.961 176.094 -0.258 0.000 1.042 321 V CA -0.463 61.740 62.300 -0.162 0.000 0.877 321 V CB 2.392 34.163 31.823 -0.087 0.000 0.996 321 V HN 0.579 nan 8.190 nan 0.000 0.425 322 V N 6.988 126.560 119.914 -0.571 0.000 2.531 322 V HA 0.577 4.697 4.120 -0.001 0.000 0.301 322 V C -0.469 175.365 176.094 -0.434 0.000 1.034 322 V CA -0.467 61.479 62.300 -0.589 0.000 0.865 322 V CB 1.914 33.129 31.823 -1.013 0.000 0.995 322 V HN 0.669 nan 8.190 nan 0.000 0.424 323 I N 5.146 125.599 120.570 -0.195 0.000 2.418 323 I HA 0.641 4.810 4.170 -0.001 0.000 0.287 323 I C -0.003 176.043 176.117 -0.117 0.000 1.008 323 I CA -0.314 60.922 61.300 -0.106 0.000 1.104 323 I CB 1.626 39.607 38.000 -0.032 0.000 1.264 323 I HN 0.870 nan 8.210 nan 0.000 0.438 324 C N 2.281 121.509 119.300 -0.120 0.000 3.308 324 C HA 0.688 5.147 4.460 -0.001 0.000 0.360 324 C C -0.192 174.712 174.990 -0.143 0.000 1.695 324 C CA -0.876 58.080 59.018 -0.103 0.000 1.366 324 C CB 1.387 29.103 27.740 -0.040 0.000 2.121 324 C HN 0.718 nan 8.230 nan 0.000 0.442 325 E N 1.320 121.459 120.200 -0.101 0.000 2.152 325 E HA 0.426 4.776 4.350 -0.001 0.000 0.285 325 E C 0.071 176.634 176.600 -0.062 0.000 1.043 325 E CA 0.420 56.759 56.400 -0.101 0.000 0.839 325 E CB 0.904 30.559 29.700 -0.074 0.000 1.069 325 E HN 0.773 nan 8.360 nan 0.000 0.399 326 S N 3.155 118.823 115.700 -0.053 0.000 2.549 326 S HA 0.318 4.787 4.470 -0.001 0.000 0.286 326 S C 0.344 174.947 174.600 0.005 0.000 1.314 326 S CA 0.264 58.476 58.200 0.020 0.000 1.062 326 S CB 0.511 63.778 63.200 0.111 0.000 0.865 326 S HN 0.591 nan 8.310 nan 0.000 0.498 327 A N 3.652 126.481 122.820 0.016 0.000 2.594 327 A HA 0.657 4.977 4.320 -0.001 0.000 0.287 327 A C 0.780 178.366 177.584 0.003 0.000 1.227 327 A CA 0.157 52.195 52.037 0.002 0.000 0.952 327 A CB -0.785 18.215 19.000 -0.001 0.000 1.161 327 A HN 1.815 nan 8.150 nan 0.000 0.524 328 G N -1.568 107.237 108.800 0.009 0.000 2.640 328 G HA2 0.104 4.063 3.960 -0.001 0.000 0.686 328 G HA3 0.104 4.063 3.960 -0.001 0.000 0.686 328 G C 0.461 175.371 174.900 0.017 0.000 1.229 328 G CA 0.250 45.344 45.100 -0.011 0.000 0.796 328 G HN 0.887 nan 8.290 nan 0.000 0.654 329 T N -0.320 114.217 114.554 -0.027 0.000 2.622 329 T HA -0.187 4.162 4.350 -0.001 0.000 0.266 329 T C 2.318 177.047 174.700 0.048 0.000 1.047 329 T CA 2.571 64.682 62.100 0.018 0.000 1.159 329 T CB -0.281 68.540 68.868 -0.078 0.000 0.863 329 T HN 0.537 nan 8.240 nan 0.000 0.422 330 Q N 0.364 120.171 119.800 0.012 0.000 2.112 330 Q HA -0.127 4.212 4.340 -0.001 0.000 0.206 330 Q C 2.300 178.307 176.000 0.012 0.000 0.987 330 Q CA 2.026 57.835 55.803 0.011 0.000 0.858 330 Q CB -0.605 28.133 28.738 -0.001 0.000 0.905 330 Q HN 0.615 nan 8.270 nan 0.000 0.420 331 E N 0.909 121.116 120.200 0.011 0.000 2.107 331 E HA -0.127 4.222 4.350 -0.001 0.000 0.191 331 E C 1.369 177.972 176.600 0.006 0.000 0.982 331 E CA 1.092 57.496 56.400 0.006 0.000 0.809 331 E CB -0.112 29.591 29.700 0.004 0.000 0.756 331 E HN 0.225 nan 8.360 nan 0.000 0.459 332 D N 0.142 120.557 120.400 0.026 0.000 2.123 332 D HA -0.172 4.467 4.640 -0.001 0.000 0.196 332 D C 1.742 178.020 176.300 -0.036 0.000 0.992 332 D CA 1.687 55.694 54.000 0.010 0.000 0.833 332 D CB -0.483 40.370 40.800 0.088 0.000 0.954 332 D HN 0.316 nan 8.370 nan 0.000 0.455 333 A N 0.943 123.759 122.820 -0.005 0.000 1.933 333 A HA -0.039 4.280 4.320 -0.001 0.000 0.218 333 A C 2.309 179.871 177.584 -0.037 0.000 1.175 333 A CA 2.206 54.227 52.037 -0.026 0.000 0.628 333 A CB -0.600 18.403 19.000 0.005 0.000 0.814 333 A HN 0.250 nan 8.150 nan 0.000 0.444 334 A N -0.667 122.140 122.820 -0.021 0.000 1.897 334 A HA -0.013 4.306 4.320 -0.001 0.000 0.215 334 A C 2.435 180.006 177.584 -0.022 0.000 1.181 334 A CA 1.880 53.907 52.037 -0.016 0.000 0.620 334 A CB -0.856 18.140 19.000 -0.007 0.000 0.821 334 A HN 0.438 nan 8.150 nan 0.000 0.443 335 S N -0.085 115.597 115.700 -0.030 0.000 2.359 335 S HA -0.141 4.329 4.470 -0.001 0.000 0.224 335 S C 1.844 176.417 174.600 -0.046 0.000 1.035 335 S CA 1.414 59.597 58.200 -0.028 0.000 1.018 335 S CB -0.495 62.681 63.200 -0.039 0.000 0.876 335 S HN 0.497 nan 8.310 nan 0.000 0.448 336 L N 0.699 121.836 121.223 -0.144 0.000 2.127 336 L HA -0.149 4.190 4.340 -0.001 0.000 0.211 336 L C 2.724 179.570 176.870 -0.040 0.000 1.089 336 L CA 1.226 55.921 54.840 -0.241 0.000 0.757 336 L CB -0.229 41.598 42.059 -0.386 0.000 0.899 336 L HN 0.259 nan 8.230 nan 0.000 0.434 337 R N -0.927 119.559 120.500 -0.022 0.000 2.066 337 R HA -0.142 4.198 4.340 -0.001 0.000 0.232 337 R C 2.138 178.456 176.300 0.029 0.000 1.131 337 R CA 1.444 57.550 56.100 0.011 0.000 0.955 337 R CB -0.137 30.161 30.300 -0.003 0.000 0.851 337 R HN 0.155 nan 8.270 nan 0.000 0.432 338 V N 0.510 120.440 119.914 0.027 0.000 2.358 338 V HA -0.230 3.889 4.120 -0.001 0.000 0.246 338 V C 1.917 178.029 176.094 0.029 0.000 1.047 338 V CA 1.777 64.088 62.300 0.018 0.000 1.035 338 V CB -0.615 31.221 31.823 0.021 0.000 0.658 338 V HN 0.307 nan 8.190 nan 0.000 0.452 339 F N 1.589 121.489 119.950 -0.083 0.000 2.095 339 F HA -0.240 4.287 4.527 -0.001 0.000 0.298 339 F C 2.440 178.182 175.800 -0.096 0.000 1.104 339 F CA 2.358 60.304 58.000 -0.090 0.000 1.232 339 F CB -0.516 38.422 39.000 -0.102 0.000 0.987 339 F HN 0.120 nan 8.300 nan 0.000 0.475 340 T N -0.148 114.490 114.554 0.140 0.000 2.821 340 T HA -0.178 4.172 4.350 -0.001 0.000 0.267 340 T C 1.694 176.381 174.700 -0.022 0.000 1.046 340 T CA 1.687 63.867 62.100 0.135 0.000 1.139 340 T CB -0.319 68.702 68.868 0.256 0.000 0.871 340 T HN 0.385 nan 8.240 nan 0.000 0.454 341 E N 0.992 121.159 120.200 -0.055 0.000 2.072 341 E HA -0.027 4.323 4.350 -0.001 0.000 0.191 341 E C 2.544 179.013 176.600 -0.219 0.000 0.985 341 E CA 0.967 57.307 56.400 -0.100 0.000 0.801 341 E CB -0.198 29.457 29.700 -0.075 0.000 0.750 341 E HN 0.476 nan 8.360 nan 0.000 0.452 342 A N 1.111 123.749 122.820 -0.304 0.000 1.873 342 A HA -0.179 4.140 4.320 -0.001 0.000 0.215 342 A C 2.146 179.296 177.584 -0.723 0.000 1.186 342 A CA 1.185 52.895 52.037 -0.546 0.000 0.616 342 A CB -0.321 18.405 19.000 -0.457 0.000 0.823 342 A HN 0.119 nan 8.150 nan 0.000 0.442 343 M N -0.131 119.159 119.600 -0.516 0.000 2.108 343 M HA -0.133 4.347 4.480 -0.001 0.000 0.261 343 M C 2.185 178.393 176.300 -0.152 0.000 1.066 343 M CA 2.117 57.222 55.300 -0.325 0.000 1.107 343 M CB -1.931 30.395 32.600 -0.456 0.000 1.356 343 M HN 0.466 nan 8.290 nan 0.000 0.406 344 T N -0.032 114.439 114.554 -0.139 0.000 2.746 344 T HA -0.118 4.231 4.350 -0.001 0.000 0.267 344 T C 1.942 176.572 174.700 -0.117 0.000 1.039 344 T CA 1.099 63.155 62.100 -0.074 0.000 1.142 344 T CB -0.200 68.635 68.868 -0.056 0.000 0.866 344 T HN 0.385 nan 8.240 nan 0.000 0.444 345 R N 0.013 120.372 120.500 -0.236 0.000 2.152 345 R HA -0.051 4.288 4.340 -0.001 0.000 0.232 345 R C 1.466 177.684 176.300 -0.136 0.000 1.117 345 R CA 1.023 56.985 56.100 -0.229 0.000 0.981 345 R CB -0.238 29.857 30.300 -0.342 0.000 0.870 345 R HN 0.449 nan 8.270 nan 0.000 0.451 346 Y N -0.032 120.198 120.300 -0.117 0.000 2.471 346 Y HA 0.126 4.676 4.550 -0.001 0.000 0.286 346 Y C 0.782 176.615 175.900 -0.112 0.000 1.188 346 Y CA -0.551 57.459 58.100 -0.149 0.000 1.286 346 Y CB -0.113 38.274 38.460 -0.121 0.000 1.072 346 Y HN -0.075 nan 8.280 nan 0.000 0.517 347 S N 0.175 115.902 115.700 0.046 0.000 3.886 347 S HA -0.084 4.385 4.470 -0.001 0.000 0.398 347 S C -0.036 174.570 174.600 0.010 0.000 0.931 347 S CA 0.475 58.688 58.200 0.022 0.000 1.217 347 S CB -1.384 61.821 63.200 0.009 0.000 0.874 347 S HN 0.737 nan 8.310 nan 0.000 0.521 348 A N 2.075 124.921 122.820 0.043 0.000 3.448 348 A HA 0.547 4.866 4.320 -0.001 0.000 0.232 348 A C -2.325 175.374 177.584 0.192 0.000 1.018 348 A CA -0.568 51.526 52.037 0.095 0.000 0.996 348 A CB 0.858 19.943 19.000 0.142 0.000 1.283 348 A HN 0.457 nan 8.150 nan 0.000 0.586 349 P HA 0.247 nan 4.420 nan 0.000 0.269 349 P C -2.858 174.507 177.300 0.108 0.000 1.209 349 P CA -0.798 62.356 63.100 0.090 0.000 0.776 349 P CB 0.638 32.322 31.700 -0.027 0.000 0.876 350 P HA 0.092 nan 4.420 nan 0.000 0.277 350 P C 0.669 177.907 177.300 -0.103 0.000 1.240 350 P CA 0.048 63.059 63.100 -0.149 0.000 0.798 350 P CB 0.947 32.549 31.700 -0.164 0.000 0.979 351 G N 1.807 110.533 108.800 -0.124 0.000 2.557 351 G HA2 0.016 3.976 3.960 -0.001 0.000 0.213 351 G HA3 0.016 3.976 3.960 -0.001 0.000 0.213 351 G C -0.014 174.845 174.900 -0.069 0.000 1.221 351 G CA 0.249 45.308 45.100 -0.067 0.000 0.832 351 G HN 0.463 nan 8.290 nan 0.000 0.556 352 D N 1.351 121.701 120.400 -0.083 0.000 2.193 352 D HA 0.388 5.027 4.640 -0.001 0.000 0.244 352 D C -2.505 173.752 176.300 -0.072 0.000 1.064 352 D CA -1.153 52.812 54.000 -0.059 0.000 0.845 352 D CB 1.840 42.615 40.800 -0.041 0.000 1.148 352 D HN -0.026 nan 8.370 nan 0.000 0.464 353 P HA 0.099 nan 4.420 nan 0.000 0.265 353 P C -2.286 175.015 177.300 0.002 0.000 1.193 353 P CA -0.745 62.347 63.100 -0.014 0.000 0.765 353 P CB -0.082 31.616 31.700 -0.002 0.000 0.823 354 P HA 0.102 nan 4.420 nan 0.000 0.275 354 P C -1.130 176.177 177.300 0.012 0.000 1.227 354 P CA -0.170 62.982 63.100 0.087 0.000 0.781 354 P CB 0.809 32.647 31.700 0.229 0.000 0.906 355 Q N 3.365 123.188 119.800 0.039 0.000 2.356 355 Q HA 0.600 4.940 4.340 -0.001 0.000 0.270 355 Q C -2.747 173.260 176.000 0.013 0.000 1.058 355 Q CA -2.473 53.333 55.803 0.005 0.000 0.802 355 Q CB 2.187 30.939 28.738 0.024 0.000 1.303 355 Q HN 0.280 nan 8.270 nan 0.000 0.444 356 P HA 0.099 nan 4.420 nan 0.000 0.271 356 P C -0.869 176.322 177.300 -0.182 0.000 1.220 356 P CA 0.127 63.155 63.100 -0.120 0.000 0.768 356 P CB 1.051 32.658 31.700 -0.154 0.000 0.848 357 E N 2.327 122.385 120.200 -0.236 0.000 2.227 357 E HA 0.243 4.592 4.350 -0.001 0.000 0.268 357 E C -0.502 175.920 176.600 -0.298 0.000 0.907 357 E CA -0.528 55.778 56.400 -0.156 0.000 0.786 357 E CB 1.399 31.096 29.700 -0.004 0.000 1.191 357 E HN 0.448 nan 8.360 nan 0.000 0.411 358 Y N -0.284 120.169 120.300 0.255 0.000 2.588 358 Y HA 0.169 4.719 4.550 -0.001 0.000 0.247 358 Y C 0.196 176.348 175.900 0.420 0.000 1.157 358 Y CA -0.385 57.931 58.100 0.359 0.000 1.215 358 Y CB 1.075 39.642 38.460 0.178 0.000 1.245 358 Y HN 0.234 nan 8.280 nan 0.000 0.534 359 D N 0.708 121.260 120.400 0.253 0.000 2.440 359 D HA 0.103 4.742 4.640 -0.001 0.000 0.252 359 D C 0.916 176.994 176.300 -0.369 0.000 1.180 359 D CA -0.239 53.759 54.000 -0.003 0.000 0.894 359 D CB 1.361 42.174 40.800 0.020 0.000 1.111 359 D HN 0.140 nan 8.370 nan 0.000 0.544 360 L N 4.473 125.097 121.223 -0.998 0.000 2.034 360 L HA -0.222 4.117 4.340 -0.001 0.000 0.217 360 L C 1.624 178.169 176.870 -0.542 0.000 1.077 360 L CA 2.116 56.238 54.840 -1.197 0.000 0.769 360 L CB -0.399 40.766 42.059 -1.491 0.000 0.890 360 L HN 0.500 nan 8.230 nan 0.000 0.435 361 E N -0.892 119.083 120.200 -0.375 0.000 2.396 361 E HA -0.187 4.163 4.350 -0.001 0.000 0.200 361 E C 1.934 178.443 176.600 -0.152 0.000 1.023 361 E CA 0.893 57.163 56.400 -0.216 0.000 0.857 361 E CB -0.224 29.394 29.700 -0.137 0.000 0.775 361 E HN 0.571 nan 8.360 nan 0.000 0.525 362 L N 0.657 121.793 121.223 -0.146 0.000 2.592 362 L HA 0.190 4.529 4.340 -0.001 0.000 0.227 362 L C 0.577 177.404 176.870 -0.073 0.000 1.127 362 L CA -0.129 54.663 54.840 -0.080 0.000 0.884 362 L CB 0.212 42.248 42.059 -0.039 0.000 1.065 362 L HN 0.036 nan 8.230 nan 0.000 0.457 363 I N 0.018 120.521 120.570 -0.112 0.000 2.331 363 I HA 0.147 4.316 4.170 -0.001 0.000 0.292 363 I C -0.019 176.058 176.117 -0.067 0.000 0.998 363 I CA 0.088 61.341 61.300 -0.079 0.000 1.267 363 I CB 1.496 39.436 38.000 -0.100 0.000 1.386 363 I HN -0.111 nan 8.210 nan 0.000 0.476 364 T N 4.897 119.430 114.554 -0.034 0.000 2.771 364 T HA 0.491 4.841 4.350 -0.001 0.000 0.281 364 T C -0.312 174.384 174.700 -0.008 0.000 0.982 364 T CA -0.620 61.468 62.100 -0.021 0.000 0.978 364 T CB 1.112 69.973 68.868 -0.011 0.000 0.930 364 T HN 0.731 nan 8.240 nan 0.000 0.447 365 S N 0.829 116.528 115.700 -0.002 0.000 2.548 365 S HA 0.444 4.913 4.470 -0.001 0.000 0.276 365 S C 0.111 174.726 174.600 0.025 0.000 1.129 365 S CA -0.774 57.427 58.200 0.002 0.000 0.931 365 S CB 0.694 63.881 63.200 -0.021 0.000 1.068 365 S HN 0.910 nan 8.310 nan 0.000 0.480 366 C N 2.079 121.398 119.300 0.031 0.000 4.432 366 C HA -0.177 4.282 4.460 -0.001 0.000 0.294 366 C C 1.308 176.367 174.990 0.115 0.000 1.398 366 C CA 0.775 59.833 59.018 0.067 0.000 1.988 366 C CB -3.173 24.603 27.740 0.060 0.000 1.251 366 C HN 1.770 nan 8.230 nan 0.000 0.791 367 S N -1.450 114.301 115.700 0.084 0.000 3.445 367 S HA -0.195 4.275 4.470 -0.001 0.000 0.319 367 S C 0.246 174.896 174.600 0.083 0.000 1.209 367 S CA 1.237 59.484 58.200 0.078 0.000 0.934 367 S CB -0.903 62.357 63.200 0.101 0.000 0.999 367 S HN 1.006 nan 8.310 nan 0.000 0.582 368 S N 1.592 117.348 115.700 0.094 0.000 2.704 368 S HA 0.814 5.284 4.470 -0.001 0.000 0.296 368 S C -0.435 174.186 174.600 0.035 0.000 1.138 368 S CA -0.860 57.404 58.200 0.107 0.000 0.875 368 S CB 1.804 65.149 63.200 0.241 0.000 1.151 368 S HN 0.615 nan 8.310 nan 0.000 0.500 369 N N -0.820 117.886 118.700 0.010 0.000 2.591 369 N HA 0.394 5.133 4.740 -0.001 0.000 0.263 369 N C -1.685 173.762 175.510 -0.105 0.000 1.308 369 N CA -0.555 52.460 53.050 -0.058 0.000 0.837 369 N CB 1.010 39.453 38.487 -0.074 0.000 1.548 369 N HN 0.334 nan 8.380 nan 0.000 0.493 370 V N 0.463 120.285 119.914 -0.154 0.000 2.649 370 V HA 0.470 4.589 4.120 -0.001 0.000 0.292 370 V C 0.464 176.427 176.094 -0.218 0.000 1.055 370 V CA 0.023 62.206 62.300 -0.195 0.000 1.023 370 V CB 0.992 32.684 31.823 -0.217 0.000 0.992 370 V HN 0.846 nan 8.190 nan 0.000 0.480 371 S N 2.599 118.099 115.700 -0.334 0.000 2.685 371 S HA 0.808 5.277 4.470 -0.001 0.000 0.282 371 S C -1.343 173.153 174.600 -0.175 0.000 1.159 371 S CA -0.441 57.583 58.200 -0.294 0.000 0.833 371 S CB 2.061 65.007 63.200 -0.424 0.000 1.151 371 S HN 0.706 nan 8.310 nan 0.000 0.485 372 V N 0.970 120.866 119.914 -0.029 0.000 2.876 372 V HA 1.003 5.122 4.120 -0.001 0.000 0.312 372 V C -0.344 175.692 176.094 -0.096 0.000 1.085 372 V CA 0.322 62.548 62.300 -0.124 0.000 0.945 372 V CB 1.322 32.909 31.823 -0.392 0.000 1.017 372 V HN 1.350 nan 8.190 nan 0.000 0.428 373 A N 4.378 126.989 122.820 -0.348 0.000 2.583 373 A HA 0.907 5.227 4.320 -0.001 0.000 0.299 373 A C -1.405 175.635 177.584 -0.906 0.000 1.258 373 A CA -0.558 51.103 52.037 -0.627 0.000 0.682 373 A CB 1.691 20.199 19.000 -0.821 0.000 1.332 373 A HN 0.941 nan 8.150 nan 0.000 0.485 374 H N 0.297 119.002 119.070 -0.607 0.000 2.717 374 H HA 0.443 4.998 4.556 -0.001 0.000 0.366 374 H C -1.252 173.690 175.328 -0.642 0.000 1.132 374 H CA -0.259 55.438 56.048 -0.585 0.000 1.180 374 H CB 1.815 31.211 29.762 -0.611 0.000 1.678 374 H HN 0.905 nan 8.280 nan 0.000 0.537 375 D N 0.244 120.534 120.400 -0.183 0.000 2.506 375 D HA 0.295 4.934 4.640 -0.001 0.000 0.272 375 D C 1.331 177.714 176.300 0.138 0.000 1.214 375 D CA -0.485 53.482 54.000 -0.055 0.000 1.067 375 D CB 0.504 41.286 40.800 -0.030 0.000 1.117 375 D HN 0.421 nan 8.370 nan 0.000 0.578 376 A N -0.395 122.514 122.820 0.149 0.000 2.084 376 A HA -0.151 4.168 4.320 -0.001 0.000 0.221 376 A C 1.856 179.506 177.584 0.110 0.000 1.161 376 A CA 1.640 53.763 52.037 0.143 0.000 0.653 376 A CB -0.854 18.193 19.000 0.079 0.000 0.802 376 A HN 0.426 nan 8.150 nan 0.000 0.457 377 S N -1.767 113.983 115.700 0.083 0.000 2.577 377 S HA 0.381 4.851 4.470 -0.001 0.000 0.219 377 S C 1.432 176.062 174.600 0.050 0.000 0.962 377 S CA 0.671 58.902 58.200 0.052 0.000 0.921 377 S CB 0.065 63.285 63.200 0.033 0.000 0.789 377 S HN 1.550 nan 8.310 nan 0.000 0.497 378 G N 2.232 111.085 108.800 0.088 0.000 2.189 378 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.267 378 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.267 378 G C 0.149 175.069 174.900 0.034 0.000 0.975 378 G CA 0.594 45.709 45.100 0.024 0.000 0.644 378 G HN 0.531 nan 8.290 nan 0.000 0.537 379 K N 0.739 121.174 120.400 0.057 0.000 2.326 379 K HA 0.393 4.712 4.320 -0.001 0.000 0.275 379 K C 0.772 177.419 176.600 0.078 0.000 1.018 379 K CA -0.653 55.670 56.287 0.061 0.000 0.962 379 K CB 0.277 32.788 32.500 0.018 0.000 0.953 379 K HN 0.279 nan 8.250 nan 0.000 0.475 380 R N 2.050 122.570 120.500 0.033 0.000 2.401 380 R HA 0.119 4.459 4.340 -0.001 0.000 0.299 380 R C -0.726 175.393 176.300 -0.302 0.000 1.064 380 R CA -0.174 55.794 56.100 -0.220 0.000 1.000 380 R CB 1.048 31.209 30.300 -0.232 0.000 0.973 380 R HN 0.356 nan 8.270 nan 0.000 0.438 381 V N 5.547 125.210 119.914 -0.418 0.000 2.577 381 V HA 0.369 4.488 4.120 -0.001 0.000 0.303 381 V C -1.481 174.441 176.094 -0.286 0.000 1.042 381 V CA -0.742 61.393 62.300 -0.275 0.000 0.872 381 V CB 1.345 33.069 31.823 -0.165 0.000 0.998 381 V HN 0.610 nan 8.190 nan 0.000 0.423 382 Y N 7.467 127.768 120.300 0.001 0.000 2.310 382 Y HA 0.708 5.257 4.550 -0.001 0.000 0.326 382 Y C 0.048 176.012 175.900 0.106 0.000 1.151 382 Y CA 0.031 58.137 58.100 0.011 0.000 1.195 382 Y CB 1.371 39.791 38.460 -0.067 0.000 1.210 382 Y HN 0.810 nan 8.280 nan 0.000 0.483 383 Y N 0.352 120.703 120.300 0.086 0.000 2.655 383 Y HA 0.695 5.245 4.550 -0.001 0.000 0.336 383 Y C -2.147 173.807 175.900 0.091 0.000 1.154 383 Y CA -2.112 56.024 58.100 0.059 0.000 1.055 383 Y CB 0.646 39.108 38.460 0.004 0.000 1.295 383 Y HN 0.453 nan 8.280 nan 0.000 0.465 384 L N 1.985 123.258 121.223 0.083 0.000 2.312 384 L HA 0.757 5.097 4.340 -0.001 0.000 0.281 384 L C 0.046 177.079 176.870 0.271 0.000 1.070 384 L CA 0.446 55.336 54.840 0.084 0.000 0.805 384 L CB 1.404 43.563 42.059 0.167 0.000 1.174 384 L HN 1.048 nan 8.230 nan 0.000 0.434 385 T N 4.222 118.877 114.554 0.168 0.000 2.696 385 T HA 0.865 5.215 4.350 -0.001 0.000 0.291 385 T C -1.234 173.512 174.700 0.077 0.000 1.095 385 T CA -0.549 61.695 62.100 0.241 0.000 1.026 385 T CB 1.148 70.142 68.868 0.210 0.000 1.390 385 T HN 0.857 nan 8.240 nan 0.000 0.513 386 R N 0.377 120.868 120.500 -0.015 0.000 2.752 386 R HA 0.456 4.795 4.340 -0.001 0.000 0.277 386 R C -1.634 174.476 176.300 -0.316 0.000 1.024 386 R CA -1.006 54.991 56.100 -0.171 0.000 0.866 386 R CB 0.256 30.392 30.300 -0.273 0.000 1.278 386 R HN 0.527 nan 8.270 nan 0.000 0.473 387 D N 1.688 121.911 120.400 -0.295 0.000 2.417 387 D HA 0.078 4.717 4.640 -0.001 0.000 0.250 387 D C -1.404 174.532 176.300 -0.607 0.000 1.166 387 D CA -1.472 52.317 54.000 -0.351 0.000 0.881 387 D CB 1.337 42.015 40.800 -0.203 0.000 1.164 387 D HN 0.359 nan 8.370 nan 0.000 0.467 388 P HA 0.002 nan 4.420 nan 0.000 0.249 388 P C 1.102 178.097 177.300 -0.508 0.000 1.229 388 P CA 0.120 62.574 63.100 -1.078 0.000 0.788 388 P CB 0.358 31.263 31.700 -1.325 0.000 1.072 389 T N 0.071 114.438 114.554 -0.311 0.000 2.607 389 T HA -0.135 4.214 4.350 -0.001 0.000 0.267 389 T C 1.802 176.448 174.700 -0.090 0.000 1.049 389 T CA 2.421 64.434 62.100 -0.144 0.000 1.162 389 T CB -1.132 67.691 68.868 -0.074 0.000 0.863 389 T HN 0.199 nan 8.240 nan 0.000 0.424 390 T N 2.141 116.647 114.554 -0.081 0.000 2.777 390 T HA -0.042 4.307 4.350 -0.001 0.000 0.266 390 T C -0.563 174.105 174.700 -0.052 0.000 1.040 390 T CA 1.111 63.194 62.100 -0.029 0.000 1.141 390 T CB -1.164 67.725 68.868 0.035 0.000 0.868 390 T HN 0.329 nan 8.240 nan 0.000 0.444 391 P HA 0.013 nan 4.420 nan 0.000 0.215 391 P C 1.488 178.832 177.300 0.073 0.000 1.153 391 P CA 0.902 64.010 63.100 0.013 0.000 0.853 391 P CB -0.156 31.521 31.700 -0.039 0.000 0.788 392 L N -1.491 119.732 121.223 0.001 0.000 2.109 392 L HA -0.091 4.248 4.340 -0.001 0.000 0.207 392 L C 2.414 179.332 176.870 0.080 0.000 1.086 392 L CA 1.298 56.170 54.840 0.053 0.000 0.760 392 L CB -1.065 40.987 42.059 -0.011 0.000 0.910 392 L HN -0.051 nan 8.230 nan 0.000 0.437 393 A N 0.249 123.100 122.820 0.051 0.000 1.930 393 A HA -0.178 4.141 4.320 -0.001 0.000 0.217 393 A C 2.380 180.031 177.584 0.112 0.000 1.175 393 A CA 1.299 53.382 52.037 0.077 0.000 0.627 393 A CB -0.379 18.644 19.000 0.037 0.000 0.815 393 A HN 0.312 nan 8.150 nan 0.000 0.443 394 R N -0.648 119.894 120.500 0.070 0.000 2.115 394 R HA 0.025 4.364 4.340 -0.001 0.000 0.226 394 R C 2.431 178.880 176.300 0.247 0.000 1.100 394 R CA 0.985 57.140 56.100 0.092 0.000 0.980 394 R CB -0.371 29.926 30.300 -0.004 0.000 0.875 394 R HN 0.499 nan 8.270 nan 0.000 0.445 395 A N 1.324 124.316 122.820 0.286 0.000 1.930 395 A HA -0.084 4.235 4.320 -0.001 0.000 0.217 395 A C 2.350 180.173 177.584 0.398 0.000 1.175 395 A CA 1.578 53.899 52.037 0.473 0.000 0.627 395 A CB -0.514 18.792 19.000 0.511 0.000 0.815 395 A HN 0.372 nan 8.150 nan 0.000 0.443 396 A N -1.239 121.722 122.820 0.235 0.000 1.877 396 A HA -0.191 4.128 4.320 -0.001 0.000 0.216 396 A C 2.105 179.793 177.584 0.173 0.000 1.186 396 A CA 1.411 53.536 52.037 0.146 0.000 0.620 396 A CB -0.882 18.184 19.000 0.110 0.000 0.822 396 A HN 0.824 nan 8.150 nan 0.000 0.443 397 W N 1.121 122.455 121.300 0.057 0.000 2.358 397 W HA -0.144 4.516 4.660 -0.001 0.000 0.303 397 W C 1.626 178.182 176.519 0.061 0.000 1.208 397 W CA 1.923 59.288 57.345 0.032 0.000 1.274 397 W CB -0.297 29.165 29.460 0.003 0.000 1.138 397 W HN 0.568 nan 8.180 nan 0.000 0.515 398 E N -0.885 119.568 120.200 0.422 0.000 2.418 398 E HA -0.118 4.232 4.350 -0.001 0.000 0.197 398 E C 1.902 178.666 176.600 0.272 0.000 1.026 398 E CA 1.276 57.893 56.400 0.363 0.000 0.862 398 E CB -0.167 29.802 29.700 0.447 0.000 0.799 398 E HN 0.075 nan 8.360 nan 0.000 0.518 399 T N 0.288 114.986 114.554 0.240 0.000 2.904 399 T HA -0.044 4.306 4.350 -0.001 0.000 0.267 399 T C 1.668 176.348 174.700 -0.034 0.000 1.059 399 T CA 1.217 63.393 62.100 0.127 0.000 1.137 399 T CB 0.106 69.055 68.868 0.135 0.000 0.879 399 T HN 0.219 nan 8.240 nan 0.000 0.467 400 A N 0.119 122.880 122.820 -0.099 0.000 2.382 400 A HA 0.381 4.700 4.320 -0.001 0.000 0.228 400 A C 0.712 178.168 177.584 -0.213 0.000 1.217 400 A CA -0.205 51.726 52.037 -0.176 0.000 0.923 400 A CB 0.578 19.443 19.000 -0.226 0.000 0.979 400 A HN 0.088 nan 8.150 nan 0.000 0.515 401 R N 0.428 120.815 120.500 -0.188 0.000 2.533 401 R HA 0.349 4.688 4.340 -0.001 0.000 0.288 401 R C -1.747 174.520 176.300 -0.054 0.000 1.039 401 R CA -0.473 55.561 56.100 -0.111 0.000 0.909 401 R CB 0.956 31.237 30.300 -0.031 0.000 1.195 401 R HN 0.480 nan 8.270 nan 0.000 0.438 402 H N 0.603 119.748 119.070 0.124 0.000 2.610 402 H HA 0.288 4.843 4.556 -0.001 0.000 0.336 402 H C 0.622 176.021 175.328 0.118 0.000 1.087 402 H CA 0.462 56.586 56.048 0.127 0.000 1.405 402 H CB 1.095 30.906 29.762 0.081 0.000 1.460 402 H HN 0.576 nan 8.280 nan 0.000 0.538 403 T N -0.335 114.342 114.554 0.205 0.000 2.916 403 T HA 0.272 4.621 4.350 -0.001 0.000 0.292 403 T C -1.790 172.929 174.700 0.031 0.000 1.064 403 T CA -2.051 60.116 62.100 0.111 0.000 1.011 403 T CB 1.566 70.491 68.868 0.096 0.000 1.152 403 T HN 0.247 nan 8.240 nan 0.000 0.510 404 P HA 0.066 nan 4.420 nan 0.000 0.215 404 P C -0.106 177.154 177.300 -0.066 0.000 1.153 404 P CA 0.527 63.576 63.100 -0.084 0.000 0.853 404 P CB 0.074 31.722 31.700 -0.086 0.000 0.788 405 V N 1.231 121.111 119.914 -0.058 0.000 2.384 405 V HA 0.200 4.320 4.120 -0.001 0.000 0.287 405 V C -0.096 175.944 176.094 -0.090 0.000 1.020 405 V CA -0.783 61.471 62.300 -0.077 0.000 0.850 405 V CB 1.424 33.201 31.823 -0.077 0.000 0.987 405 V HN 0.021 nan 8.190 nan 0.000 0.436 406 N N 3.304 121.905 118.700 -0.166 0.000 2.602 406 N HA 0.055 4.795 4.740 -0.001 0.000 0.238 406 N C 1.406 176.682 175.510 -0.391 0.000 1.084 406 N CA 0.181 53.056 53.050 -0.291 0.000 0.952 406 N CB 1.579 39.755 38.487 -0.518 0.000 1.244 406 N HN 0.834 nan 8.380 nan 0.000 0.512 407 S N 2.277 117.872 115.700 -0.175 0.000 2.383 407 S HA -0.139 4.330 4.470 -0.001 0.000 0.229 407 S C 1.891 176.439 174.600 -0.087 0.000 1.030 407 S CA 0.380 58.521 58.200 -0.099 0.000 1.002 407 S CB -0.464 62.733 63.200 -0.005 0.000 0.829 407 S HN 0.798 nan 8.310 nan 0.000 0.467 408 W N 1.571 122.785 121.300 -0.143 0.000 2.338 408 W HA -0.082 4.578 4.660 -0.001 0.000 0.304 408 W C 1.776 178.214 176.519 -0.135 0.000 1.212 408 W CA 0.680 57.901 57.345 -0.206 0.000 1.264 408 W CB -1.093 27.868 29.460 -0.833 0.000 1.142 408 W HN 0.383 nan 8.180 nan 0.000 0.512 409 L N 2.857 123.393 121.223 -1.145 0.000 2.072 409 L HA 0.174 4.513 4.340 -0.001 0.000 0.205 409 L C 2.668 179.322 176.870 -0.359 0.000 1.079 409 L CA 2.833 57.080 54.840 -0.988 0.000 0.752 409 L CB -1.361 39.857 42.059 -1.402 0.000 0.906 409 L HN 0.040 nan 8.230 nan 0.000 0.436 410 G N -0.641 107.973 108.800 -0.309 0.000 2.422 410 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.218 410 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.218 410 G C 1.443 176.332 174.900 -0.019 0.000 1.146 410 G CA 0.766 45.775 45.100 -0.152 0.000 0.769 410 G HN 0.445 nan 8.290 nan 0.000 0.547 411 N N 0.429 119.179 118.700 0.085 0.000 2.270 411 N HA 0.026 4.766 4.740 -0.001 0.000 0.181 411 N C 2.201 177.841 175.510 0.216 0.000 1.016 411 N CA 0.446 53.666 53.050 0.284 0.000 0.870 411 N CB -0.059 38.699 38.487 0.451 0.000 0.979 411 N HN 0.336 nan 8.380 nan 0.000 0.431 412 I N 0.812 121.476 120.570 0.156 0.000 2.315 412 I HA -0.183 3.986 4.170 -0.001 0.000 0.248 412 I C 1.961 178.128 176.117 0.082 0.000 1.117 412 I CA 0.770 62.149 61.300 0.132 0.000 1.404 412 I CB -0.075 38.075 38.000 0.250 0.000 1.071 412 I HN 0.028 nan 8.210 nan 0.000 0.419 413 I N -0.017 120.600 120.570 0.080 0.000 2.202 413 I HA -0.289 3.880 4.170 -0.001 0.000 0.242 413 I C 2.446 178.651 176.117 0.146 0.000 1.091 413 I CA 1.209 62.580 61.300 0.118 0.000 1.368 413 I CB -0.208 37.838 38.000 0.077 0.000 1.058 413 I HN 0.214 nan 8.210 nan 0.000 0.410 414 M N -0.689 118.904 119.600 -0.011 0.000 2.288 414 M HA -0.090 4.389 4.480 -0.001 0.000 0.266 414 M C 0.905 176.958 176.300 -0.411 0.000 1.072 414 M CA 1.637 56.806 55.300 -0.218 0.000 1.132 414 M CB -0.690 31.635 32.600 -0.459 0.000 1.386 414 M HN 0.185 nan 8.290 nan 0.000 0.432 415 Y N -0.660 119.635 120.300 -0.009 0.000 2.734 415 Y HA 0.509 5.058 4.550 -0.001 0.000 0.278 415 Y C 1.706 177.354 175.900 -0.419 0.000 1.108 415 Y CA -0.464 57.517 58.100 -0.199 0.000 1.211 415 Y CB -0.962 37.341 38.460 -0.263 0.000 1.182 415 Y HN 0.137 nan 8.280 nan 0.000 0.547 416 A N 0.898 123.512 122.820 -0.344 0.000 1.948 416 A HA -0.158 4.161 4.320 -0.001 0.000 0.220 416 A C -0.440 176.891 177.584 -0.422 0.000 1.177 416 A CA 1.697 53.517 52.037 -0.362 0.000 0.636 416 A CB -1.297 17.501 19.000 -0.337 0.000 0.815 416 A HN 0.294 nan 8.150 nan 0.000 0.449 417 P HA 0.023 nan 4.420 nan 0.000 0.233 417 P C 0.621 177.681 177.300 -0.400 0.000 1.167 417 P CA 1.160 64.001 63.100 -0.432 0.000 0.770 417 P CB -0.339 31.111 31.700 -0.417 0.000 0.837 418 T N -2.551 111.782 114.554 -0.367 0.000 2.898 418 T HA 0.109 4.458 4.350 -0.001 0.000 0.301 418 T C 1.113 175.445 174.700 -0.612 0.000 1.049 418 T CA -0.635 61.209 62.100 -0.427 0.000 1.095 418 T CB 0.606 69.000 68.868 -0.790 0.000 0.976 418 T HN -0.182 nan 8.240 nan 0.000 0.539 419 L N 2.240 123.001 121.223 -0.770 0.000 2.017 419 L HA 0.024 4.363 4.340 -0.001 0.000 0.208 419 L C 2.407 178.978 176.870 -0.497 0.000 1.073 419 L CA 1.692 56.039 54.840 -0.821 0.000 0.745 419 L CB -1.016 40.438 42.059 -1.007 0.000 0.894 419 L HN 0.929 nan 8.230 nan 0.000 0.432 420 W N -0.526 120.569 121.300 -0.343 0.000 2.381 420 W HA 0.014 4.674 4.660 -0.001 0.000 0.301 420 W C 2.038 178.433 176.519 -0.206 0.000 1.205 420 W CA 0.893 58.077 57.345 -0.268 0.000 1.285 420 W CB -1.508 27.831 29.460 -0.201 0.000 1.133 420 W HN 0.316 nan 8.180 nan 0.000 0.521 421 A N 1.876 124.215 122.820 -0.802 0.000 1.902 421 A HA -0.156 4.163 4.320 -0.001 0.000 0.217 421 A C 2.251 179.693 177.584 -0.237 0.000 1.181 421 A CA 1.969 53.690 52.037 -0.527 0.000 0.623 421 A CB -0.769 17.741 19.000 -0.817 0.000 0.818 421 A HN 0.336 nan 8.150 nan 0.000 0.443 422 R N -1.375 118.921 120.500 -0.341 0.000 2.057 422 R HA 0.024 4.364 4.340 -0.001 0.000 0.229 422 R C 2.405 178.581 176.300 -0.207 0.000 1.136 422 R CA 1.530 57.486 56.100 -0.240 0.000 0.952 422 R CB -0.410 29.646 30.300 -0.407 0.000 0.848 422 R HN 0.618 nan 8.270 nan 0.000 0.430 423 M N 0.385 119.681 119.600 -0.507 0.000 2.132 423 M HA -0.124 4.355 4.480 -0.001 0.000 0.263 423 M C 1.629 177.722 176.300 -0.344 0.000 1.065 423 M CA 1.830 56.822 55.300 -0.513 0.000 1.122 423 M CB 0.179 32.444 32.600 -0.558 0.000 1.365 423 M HN 0.116 nan 8.290 nan 0.000 0.411 424 I N -0.955 119.319 120.570 -0.494 0.000 2.962 424 I HA -0.126 4.044 4.170 -0.001 0.000 0.246 424 I C 2.083 178.009 176.117 -0.319 0.000 1.091 424 I CA 0.195 60.967 61.300 -0.880 0.000 1.469 424 I CB -0.444 37.101 38.000 -0.758 0.000 1.324 424 I HN 0.189 nan 8.210 nan 0.000 0.461 425 L N 0.457 121.697 121.223 0.027 0.000 1.990 425 L HA -0.257 4.082 4.340 -0.001 0.000 0.213 425 L C 2.736 179.903 176.870 0.494 0.000 1.072 425 L CA 1.799 56.856 54.840 0.362 0.000 0.755 425 L CB -0.547 41.765 42.059 0.422 0.000 0.889 425 L HN 0.303 nan 8.230 nan 0.000 0.432 426 M N -0.957 118.902 119.600 0.432 0.000 2.067 426 M HA -0.188 4.291 4.480 -0.001 0.000 0.260 426 M C 2.342 179.130 176.300 0.813 0.000 1.069 426 M CA 2.163 57.832 55.300 0.616 0.000 1.117 426 M CB -0.784 32.028 32.600 0.353 0.000 1.334 426 M HN 0.279 nan 8.290 nan 0.000 0.407 427 T N -1.180 113.816 114.554 0.737 0.000 2.652 427 T HA -0.236 4.114 4.350 -0.001 0.000 0.267 427 T C 1.669 176.635 174.700 0.443 0.000 1.039 427 T CA 2.012 64.484 62.100 0.620 0.000 1.153 427 T CB -0.618 68.646 68.868 0.661 0.000 0.863 427 T HN 0.452 nan 8.240 nan 0.000 0.428 428 H N 0.505 119.727 119.070 0.253 0.000 2.267 428 H HA -0.057 4.498 4.556 -0.001 0.000 0.297 428 H C 1.811 176.989 175.328 -0.251 0.000 1.080 428 H CA 1.734 57.806 56.048 0.039 0.000 1.278 428 H CB -0.572 29.073 29.762 -0.195 0.000 1.365 428 H HN 0.357 nan 8.280 nan 0.000 0.489 429 F N -1.208 118.675 119.950 -0.111 0.000 2.259 429 F HA -0.016 4.510 4.527 -0.001 0.000 0.298 429 F C 2.021 177.621 175.800 -0.332 0.000 1.088 429 F CA 0.556 58.250 58.000 -0.511 0.000 1.358 429 F CB -0.496 37.787 39.000 -1.194 0.000 1.040 429 F HN 0.146 nan 8.300 nan 0.000 0.505 430 F N -0.592 119.427 119.950 0.114 0.000 2.325 430 F HA -0.153 4.373 4.527 -0.001 0.000 0.299 430 F C 2.699 178.518 175.800 0.032 0.000 1.090 430 F CA 1.329 59.422 58.000 0.156 0.000 1.392 430 F CB -0.747 38.458 39.000 0.342 0.000 1.053 430 F HN -0.083 nan 8.300 nan 0.000 0.521 431 S N 0.433 116.193 115.700 0.100 0.000 2.356 431 S HA -0.174 4.295 4.470 -0.001 0.000 0.223 431 S C 2.123 176.667 174.600 -0.093 0.000 1.032 431 S CA 1.472 59.660 58.200 -0.020 0.000 1.005 431 S CB -0.434 62.730 63.200 -0.061 0.000 0.867 431 S HN 0.341 nan 8.310 nan 0.000 0.449 432 I N 1.256 121.704 120.570 -0.204 0.000 2.202 432 I HA -0.144 4.026 4.170 -0.001 0.000 0.242 432 I C 2.263 178.327 176.117 -0.089 0.000 1.091 432 I CA 1.035 62.218 61.300 -0.195 0.000 1.368 432 I CB -0.384 37.426 38.000 -0.317 0.000 1.058 432 I HN 0.304 nan 8.210 nan 0.000 0.410 433 L N 0.193 121.365 121.223 -0.085 0.000 2.079 433 L HA -0.244 4.096 4.340 -0.001 0.000 0.210 433 L C 2.545 179.419 176.870 0.007 0.000 1.081 433 L CA 1.346 56.162 54.840 -0.039 0.000 0.752 433 L CB -0.534 41.454 42.059 -0.119 0.000 0.896 433 L HN 0.301 nan 8.230 nan 0.000 0.433 434 L N -0.464 120.775 121.223 0.026 0.000 2.027 434 L HA -0.173 4.166 4.340 -0.001 0.000 0.206 434 L C 2.860 179.740 176.870 0.017 0.000 1.074 434 L CA 1.244 56.112 54.840 0.046 0.000 0.745 434 L CB -0.578 41.517 42.059 0.060 0.000 0.898 434 L HN 0.221 nan 8.230 nan 0.000 0.433 435 A N -1.089 121.727 122.820 -0.007 0.000 1.972 435 A HA -0.186 4.134 4.320 -0.001 0.000 0.219 435 A C 2.025 179.607 177.584 -0.004 0.000 1.169 435 A CA 1.277 53.305 52.037 -0.015 0.000 0.635 435 A CB -0.216 18.761 19.000 -0.038 0.000 0.810 435 A HN 0.420 nan 8.150 nan 0.000 0.446 436 Q N -0.600 119.202 119.800 0.003 0.000 2.319 436 Q HA 0.100 4.439 4.340 -0.001 0.000 0.202 436 Q C -0.598 175.416 176.000 0.024 0.000 0.896 436 Q CA 0.212 56.025 55.803 0.017 0.000 0.942 436 Q CB 0.056 28.813 28.738 0.032 0.000 1.083 436 Q HN 0.770 nan 8.270 nan 0.000 0.510 437 E N 0.871 121.086 120.200 0.025 0.000 2.210 437 E HA -0.245 4.104 4.350 -0.001 0.000 0.201 437 E C -0.300 176.323 176.600 0.038 0.000 1.339 437 E CA 0.288 56.707 56.400 0.033 0.000 0.699 437 E CB -1.040 28.676 29.700 0.027 0.000 1.126 437 E HN 0.460 nan 8.360 nan 0.000 0.355 438 Q N -0.309 119.517 119.800 0.043 0.000 2.135 438 Q HA 0.119 4.458 4.340 -0.001 0.000 0.231 438 Q C 1.238 177.272 176.000 0.056 0.000 0.817 438 Q CA -0.461 55.373 55.803 0.051 0.000 1.073 438 Q CB 0.458 29.232 28.738 0.060 0.000 1.176 438 Q HN 0.189 nan 8.270 nan 0.000 0.478 439 L N 1.221 122.479 121.223 0.059 0.000 2.081 439 L HA -0.217 4.122 4.340 -0.001 0.000 0.212 439 L C 1.530 178.452 176.870 0.087 0.000 1.080 439 L CA 2.066 56.951 54.840 0.075 0.000 0.754 439 L CB -0.158 41.974 42.059 0.122 0.000 0.893 439 L HN 0.272 nan 8.230 nan 0.000 0.433 440 E N -1.126 119.120 120.200 0.077 0.000 2.481 440 E HA -0.034 4.315 4.350 -0.001 0.000 0.195 440 E C 0.766 177.405 176.600 0.066 0.000 1.047 440 E CA 0.092 56.536 56.400 0.073 0.000 0.867 440 E CB -0.290 29.447 29.700 0.061 0.000 0.858 440 E HN 0.223 nan 8.360 nan 0.000 0.513 441 K N 1.823 122.262 120.400 0.066 0.000 2.349 441 K HA 0.368 4.687 4.320 -0.001 0.000 0.288 441 K C -0.396 176.246 176.600 0.070 0.000 1.058 441 K CA -0.327 55.998 56.287 0.062 0.000 0.953 441 K CB 0.498 33.033 32.500 0.059 0.000 0.997 441 K HN 0.107 nan 8.250 nan 0.000 0.477 442 A N 5.308 128.168 122.820 0.066 0.000 2.477 442 A HA 0.331 4.650 4.320 -0.001 0.000 0.246 442 A C -0.481 177.139 177.584 0.060 0.000 1.078 442 A CA -0.211 51.866 52.037 0.068 0.000 0.770 442 A CB 0.128 19.175 19.000 0.077 0.000 1.011 442 A HN 0.769 nan 8.150 nan 0.000 0.494 443 L N 1.793 123.039 121.223 0.038 0.000 2.354 443 L HA 0.417 4.757 4.340 -0.001 0.000 0.264 443 L C -0.866 175.995 176.870 -0.015 0.000 1.008 443 L CA -1.068 53.776 54.840 0.008 0.000 0.819 443 L CB 2.107 44.148 42.059 -0.030 0.000 1.339 443 L HN 0.578 nan 8.230 nan 0.000 0.420 444 D N 1.203 121.596 120.400 -0.012 0.000 2.210 444 D HA 0.508 5.148 4.640 -0.001 0.000 0.249 444 D C -0.447 175.800 176.300 -0.088 0.000 1.078 444 D CA -0.048 53.950 54.000 -0.002 0.000 0.875 444 D CB 1.863 42.688 40.800 0.041 0.000 1.175 444 D HN 0.635 nan 8.370 nan 0.000 0.440 445 C N 0.265 119.512 119.300 -0.089 0.000 3.323 445 C HA 0.668 5.127 4.460 -0.001 0.000 0.324 445 C C -1.254 173.687 174.990 -0.080 0.000 1.428 445 C CA -0.820 58.113 59.018 -0.142 0.000 1.368 445 C CB 1.479 29.074 27.740 -0.242 0.000 1.731 445 C HN 0.538 nan 8.230 nan 0.000 0.455 446 Q N 0.456 120.205 119.800 -0.085 0.000 2.365 446 Q HA 0.753 5.092 4.340 -0.001 0.000 0.269 446 Q C -1.378 174.581 176.000 -0.067 0.000 1.061 446 Q CA -0.448 55.333 55.803 -0.036 0.000 0.816 446 Q CB 2.567 31.294 28.738 -0.019 0.000 1.325 446 Q HN 0.714 nan 8.270 nan 0.000 0.446 447 I N 2.660 123.201 120.570 -0.049 0.000 2.439 447 I HA 0.193 4.362 4.170 -0.001 0.000 0.285 447 I C -1.030 175.119 176.117 0.053 0.000 1.021 447 I CA -0.802 60.390 61.300 -0.181 0.000 1.091 447 I CB 1.039 38.657 38.000 -0.637 0.000 1.242 447 I HN 0.665 nan 8.210 nan 0.000 0.439 448 Y N 5.159 125.514 120.300 0.091 0.000 3.491 448 Y HA -0.261 4.288 4.550 -0.001 0.000 0.215 448 Y C 1.465 177.350 175.900 -0.025 0.000 1.219 448 Y CA 1.124 59.285 58.100 0.101 0.000 1.485 448 Y CB -1.938 36.607 38.460 0.141 0.000 1.450 448 Y HN 0.976 nan 8.280 nan 0.000 0.603 449 G N -2.192 106.700 108.800 0.153 0.000 2.253 449 G HA2 -0.025 3.934 3.960 -0.001 0.000 0.251 449 G HA3 -0.025 3.934 3.960 -0.001 0.000 0.251 449 G C 0.462 175.388 174.900 0.043 0.000 0.998 449 G CA 0.199 45.341 45.100 0.071 0.000 0.621 449 G HN 1.561 nan 8.290 nan 0.000 0.524 450 A N -0.520 122.333 122.820 0.055 0.000 2.304 450 A HA 0.654 4.974 4.320 -0.001 0.000 0.301 450 A C 0.633 178.095 177.584 -0.203 0.000 1.132 450 A CA 0.426 52.373 52.037 -0.150 0.000 0.819 450 A CB 1.017 19.851 19.000 -0.277 0.000 1.094 450 A HN 1.538 nan 8.150 nan 0.000 0.492 451 C N 2.261 121.365 119.300 -0.327 0.000 2.369 451 C HA 0.753 5.212 4.460 -0.001 0.000 0.358 451 C C -0.955 173.755 174.990 -0.467 0.000 1.274 451 C CA -0.422 58.474 59.018 -0.203 0.000 1.935 451 C CB -1.345 26.391 27.740 -0.007 0.000 2.431 451 C HN 0.652 nan 8.230 nan 0.000 0.545 452 Y N 2.825 122.966 120.300 -0.264 0.000 2.462 452 Y HA 0.442 4.991 4.550 -0.001 0.000 0.346 452 Y C 0.378 176.178 175.900 -0.167 0.000 0.976 452 Y CA -0.389 57.509 58.100 -0.336 0.000 1.044 452 Y CB 1.858 40.033 38.460 -0.475 0.000 1.230 452 Y HN 0.589 nan 8.280 nan 0.000 0.455 453 S N 3.899 119.616 115.700 0.029 0.000 2.422 453 S HA 0.694 5.164 4.470 -0.001 0.000 0.298 453 S C -0.927 173.731 174.600 0.097 0.000 1.118 453 S CA -0.297 57.963 58.200 0.101 0.000 1.083 453 S CB -0.367 62.929 63.200 0.159 0.000 0.971 453 S HN 0.521 nan 8.310 nan 0.000 0.478 454 I N 3.796 124.406 120.570 0.067 0.000 2.582 454 I HA 0.349 4.519 4.170 -0.001 0.000 0.292 454 I C -0.265 175.891 176.117 0.064 0.000 1.066 454 I CA -0.651 60.697 61.300 0.080 0.000 1.053 454 I CB 2.303 40.342 38.000 0.064 0.000 1.241 454 I HN 0.533 nan 8.210 nan 0.000 0.421 455 E N 6.768 127.021 120.200 0.087 0.000 2.194 455 E HA 0.181 4.530 4.350 -0.001 0.000 0.284 455 E C -1.778 174.891 176.600 0.116 0.000 1.035 455 E CA -1.565 54.890 56.400 0.091 0.000 0.836 455 E CB 1.336 31.090 29.700 0.089 0.000 1.070 455 E HN 0.310 nan 8.360 nan 0.000 0.401 456 P HA -0.207 nan 4.420 nan 0.000 0.217 456 P C 0.987 178.471 177.300 0.307 0.000 1.151 456 P CA 1.159 64.369 63.100 0.184 0.000 0.849 456 P CB 0.216 31.950 31.700 0.056 0.000 0.787 457 L N -0.940 120.425 121.223 0.238 0.000 2.353 457 L HA -0.140 4.199 4.340 -0.001 0.000 0.220 457 L C 1.354 178.324 176.870 0.167 0.000 1.133 457 L CA 1.178 56.159 54.840 0.236 0.000 0.798 457 L CB -0.630 41.527 42.059 0.164 0.000 0.922 457 L HN 0.009 nan 8.230 nan 0.000 0.445 458 D N -0.506 119.980 120.400 0.144 0.000 2.350 458 D HA 0.017 4.656 4.640 -0.001 0.000 0.213 458 D C 2.270 178.632 176.300 0.103 0.000 1.031 458 D CA 0.226 54.281 54.000 0.091 0.000 0.861 458 D CB 0.364 41.205 40.800 0.067 0.000 0.926 458 D HN 0.290 nan 8.370 nan 0.000 0.520 459 L N 1.098 122.429 121.223 0.180 0.000 2.021 459 L HA -0.190 4.149 4.340 -0.001 0.000 0.215 459 L C -0.450 176.521 176.870 0.168 0.000 1.074 459 L CA 1.736 56.697 54.840 0.203 0.000 0.760 459 L CB -1.540 40.713 42.059 0.324 0.000 0.889 459 L HN 0.055 nan 8.230 nan 0.000 0.433 460 P HA -0.207 nan 4.420 nan 0.000 0.215 460 P C 1.442 178.791 177.300 0.081 0.000 1.157 460 P CA 1.407 64.545 63.100 0.063 0.000 0.874 460 P CB -0.008 31.562 31.700 -0.217 0.000 0.790 461 Q N -0.736 119.052 119.800 -0.021 0.000 2.020 461 Q HA -0.136 4.203 4.340 -0.001 0.000 0.202 461 Q C 2.262 178.244 176.000 -0.030 0.000 0.982 461 Q CA 1.313 57.088 55.803 -0.047 0.000 0.838 461 Q CB -0.801 27.895 28.738 -0.071 0.000 0.899 461 Q HN 0.264 nan 8.270 nan 0.000 0.423 462 I N 0.726 121.281 120.570 -0.026 0.000 2.151 462 I HA -0.312 3.857 4.170 -0.001 0.000 0.243 462 I C 2.275 178.393 176.117 0.001 0.000 1.080 462 I CA 1.318 62.575 61.300 -0.070 0.000 1.339 462 I CB -0.328 37.673 38.000 0.001 0.000 1.039 462 I HN 0.212 nan 8.210 nan 0.000 0.409 463 I N 0.293 120.926 120.570 0.106 0.000 2.315 463 I HA -0.274 3.895 4.170 -0.001 0.000 0.248 463 I C 2.622 178.745 176.117 0.011 0.000 1.117 463 I CA 1.317 62.690 61.300 0.121 0.000 1.404 463 I CB -0.408 37.667 38.000 0.124 0.000 1.071 463 I HN 0.312 nan 8.210 nan 0.000 0.419 464 E N 1.147 121.390 120.200 0.072 0.000 2.051 464 E HA -0.233 4.116 4.350 -0.001 0.000 0.192 464 E C 2.399 178.986 176.600 -0.022 0.000 0.991 464 E CA 1.076 57.508 56.400 0.054 0.000 0.799 464 E CB 0.120 29.892 29.700 0.120 0.000 0.748 464 E HN 0.267 nan 8.360 nan 0.000 0.449 465 R N 0.148 120.616 120.500 -0.053 0.000 2.096 465 R HA -0.086 4.254 4.340 -0.001 0.000 0.235 465 R C 2.441 178.669 176.300 -0.120 0.000 1.127 465 R CA 0.898 56.941 56.100 -0.094 0.000 0.968 465 R CB -0.456 29.755 30.300 -0.148 0.000 0.861 465 R HN 0.361 nan 8.270 nan 0.000 0.440 466 L N -0.977 120.150 121.223 -0.160 0.000 2.249 466 L HA -0.009 4.330 4.340 -0.001 0.000 0.207 466 L C 1.787 178.358 176.870 -0.499 0.000 1.090 466 L CA 0.861 55.514 54.840 -0.312 0.000 0.802 466 L CB -0.239 41.608 42.059 -0.353 0.000 0.947 466 L HN 0.232 nan 8.230 nan 0.000 0.453 467 H N -0.713 118.288 119.070 -0.115 0.000 3.058 467 H HA 0.305 4.861 4.556 -0.001 0.000 0.258 467 H C 0.850 176.092 175.328 -0.143 0.000 1.015 467 H CA 0.763 56.727 56.048 -0.141 0.000 1.210 467 H CB 1.115 30.762 29.762 -0.192 0.000 1.481 467 H HN 0.254 nan 8.280 nan 0.000 0.492 468 G N 1.197 109.972 108.800 -0.041 0.000 2.733 468 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.686 468 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.686 468 G C 0.751 175.607 174.900 -0.073 0.000 1.373 468 G CA -0.147 44.933 45.100 -0.033 0.000 0.838 468 G HN 0.232 nan 8.290 nan 0.000 0.588 469 L N 1.134 122.378 121.223 0.035 0.000 2.197 469 L HA -0.210 4.130 4.340 -0.001 0.000 0.215 469 L C 3.206 180.102 176.870 0.043 0.000 1.095 469 L CA 2.389 57.318 54.840 0.148 0.000 0.764 469 L CB -0.564 41.636 42.059 0.235 0.000 0.897 469 L HN 0.982 nan 8.230 nan 0.000 0.436 470 S N -0.104 115.579 115.700 -0.029 0.000 2.440 470 S HA -0.185 4.284 4.470 -0.001 0.000 0.238 470 S C 2.089 176.600 174.600 -0.148 0.000 1.010 470 S CA 0.850 59.015 58.200 -0.058 0.000 0.972 470 S CB -0.368 62.794 63.200 -0.064 0.000 0.774 470 S HN 0.401 nan 8.310 nan 0.000 0.501 471 A N 0.656 123.299 122.820 -0.294 0.000 2.067 471 A HA 0.191 4.510 4.320 -0.001 0.000 0.219 471 A C 1.484 178.859 177.584 -0.349 0.000 1.158 471 A CA 0.902 52.683 52.037 -0.426 0.000 0.661 471 A CB -0.784 17.856 19.000 -0.599 0.000 0.801 471 A HN 0.591 nan 8.150 nan 0.000 0.452 472 F N -0.038 119.925 119.950 0.021 0.000 2.765 472 F HA 0.136 4.662 4.527 -0.001 0.000 0.302 472 F C 1.711 177.549 175.800 0.064 0.000 1.111 472 F CA 0.528 58.563 58.000 0.059 0.000 1.359 472 F CB 0.111 39.177 39.000 0.109 0.000 1.097 472 F HN 0.256 nan 8.300 nan 0.000 0.577 473 S N -1.497 114.297 115.700 0.157 0.000 2.960 473 S HA 0.298 4.767 4.470 -0.001 0.000 0.256 473 S C -0.028 174.627 174.600 0.092 0.000 1.017 473 S CA -0.400 57.888 58.200 0.147 0.000 1.144 473 S CB -0.646 62.637 63.200 0.138 0.000 1.109 473 S HN 0.035 nan 8.310 nan 0.000 0.638 474 L N 3.247 124.430 121.223 -0.066 0.000 2.485 474 L HA 0.401 4.740 4.340 -0.001 0.000 0.275 474 L C 0.611 177.322 176.870 -0.265 0.000 1.207 474 L CA 0.289 54.944 54.840 -0.308 0.000 0.855 474 L CB 0.069 41.801 42.059 -0.545 0.000 1.114 474 L HN 0.704 nan 8.230 nan 0.000 0.485 475 H N -1.635 117.169 119.070 -0.443 0.000 2.918 475 H HA 0.332 4.888 4.556 -0.001 0.000 0.303 475 H C -0.261 174.884 175.328 -0.305 0.000 1.380 475 H CA -0.810 55.057 56.048 -0.303 0.000 1.134 475 H CB 0.944 30.671 29.762 -0.057 0.000 1.842 475 H HN 0.367 nan 8.280 nan 0.000 0.533 476 S N -0.402 115.336 115.700 0.062 0.000 3.608 476 S HA -0.230 4.239 4.470 -0.001 0.000 0.382 476 S C -0.573 174.000 174.600 -0.045 0.000 0.945 476 S CA 0.502 58.760 58.200 0.098 0.000 1.256 476 S CB -2.347 60.988 63.200 0.225 0.000 0.913 476 S HN 0.511 nan 8.310 nan 0.000 0.518 477 Y N 1.762 122.075 120.300 0.022 0.000 2.335 477 Y HA 0.263 4.812 4.550 -0.001 0.000 0.348 477 Y C 1.426 177.349 175.900 0.038 0.000 1.280 477 Y CA 0.483 58.593 58.100 0.015 0.000 1.504 477 Y CB 0.344 38.822 38.460 0.029 0.000 1.366 477 Y HN 0.505 nan 8.280 nan 0.000 0.621 478 S N 0.939 116.766 115.700 0.212 0.000 2.585 478 S HA 0.161 4.631 4.470 -0.001 0.000 0.273 478 S C -2.074 172.597 174.600 0.118 0.000 1.339 478 S CA -1.113 57.161 58.200 0.123 0.000 1.028 478 S CB 1.312 64.563 63.200 0.086 0.000 0.906 478 S HN 0.418 nan 8.310 nan 0.000 0.528 479 P HA 0.025 nan 4.420 nan 0.000 0.216 479 P C 1.739 179.073 177.300 0.057 0.000 1.150 479 P CA 1.536 64.678 63.100 0.069 0.000 0.837 479 P CB -0.417 31.316 31.700 0.055 0.000 0.786 480 G N 0.094 108.924 108.800 0.050 0.000 2.446 480 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.217 480 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.217 480 G C 1.677 176.599 174.900 0.036 0.000 1.168 480 G CA 1.014 46.134 45.100 0.034 0.000 0.771 480 G HN 0.253 nan 8.290 nan 0.000 0.551 481 E N 0.617 120.854 120.200 0.062 0.000 2.077 481 E HA -0.057 4.293 4.350 -0.001 0.000 0.193 481 E C 2.459 179.089 176.600 0.051 0.000 0.989 481 E CA 0.804 57.248 56.400 0.074 0.000 0.800 481 E CB -0.404 29.392 29.700 0.159 0.000 0.746 481 E HN 0.509 nan 8.360 nan 0.000 0.452 482 I N 0.815 121.423 120.570 0.064 0.000 2.163 482 I HA -0.303 3.866 4.170 -0.001 0.000 0.243 482 I C 2.006 178.137 176.117 0.023 0.000 1.085 482 I CA 1.213 62.537 61.300 0.040 0.000 1.347 482 I CB -0.436 37.604 38.000 0.068 0.000 1.044 482 I HN 0.190 nan 8.210 nan 0.000 0.408 483 N N 0.648 119.364 118.700 0.027 0.000 2.166 483 N HA -0.202 4.538 4.740 -0.001 0.000 0.186 483 N C 1.918 177.429 175.510 0.001 0.000 1.019 483 N CA 1.097 54.158 53.050 0.017 0.000 0.856 483 N CB -0.381 38.118 38.487 0.020 0.000 0.993 483 N HN 0.377 nan 8.380 nan 0.000 0.426 484 R N 0.996 121.492 120.500 -0.007 0.000 2.092 484 R HA -0.020 4.320 4.340 -0.001 0.000 0.231 484 R C 1.917 178.183 176.300 -0.056 0.000 1.119 484 R CA 0.842 56.922 56.100 -0.034 0.000 0.970 484 R CB -0.062 30.211 30.300 -0.045 0.000 0.864 484 R HN -0.062 nan 8.270 nan 0.000 0.440 485 V N 1.007 120.894 119.914 -0.045 0.000 2.307 485 V HA -0.183 3.936 4.120 -0.001 0.000 0.245 485 V C 2.471 178.545 176.094 -0.032 0.000 1.045 485 V CA 1.923 64.189 62.300 -0.056 0.000 1.024 485 V CB -0.689 31.122 31.823 -0.021 0.000 0.651 485 V HN 0.555 nan 8.190 nan 0.000 0.449 486 A N -0.488 122.327 122.820 -0.008 0.000 1.933 486 A HA -0.202 4.117 4.320 -0.001 0.000 0.218 486 A C 2.473 180.061 177.584 0.008 0.000 1.175 486 A CA 2.227 54.270 52.037 0.009 0.000 0.628 486 A CB -0.636 18.376 19.000 0.021 0.000 0.814 486 A HN 0.510 nan 8.150 nan 0.000 0.444 487 S N -1.216 114.483 115.700 -0.002 0.000 2.355 487 S HA -0.204 4.265 4.470 -0.001 0.000 0.222 487 S C 2.059 176.658 174.600 -0.002 0.000 1.031 487 S CA 1.223 59.424 58.200 0.002 0.000 0.993 487 S CB -0.865 62.332 63.200 -0.004 0.000 0.859 487 S HN 0.801 nan 8.310 nan 0.000 0.453 488 C N 2.155 121.438 119.300 -0.029 0.000 2.429 488 C HA -0.004 4.455 4.460 -0.001 0.000 0.277 488 C C 2.433 177.412 174.990 -0.019 0.000 1.262 488 C CA 0.604 59.597 59.018 -0.041 0.000 1.733 488 C CB -1.634 26.042 27.740 -0.106 0.000 2.010 488 C HN 0.567 nan 8.230 nan 0.000 0.483 489 L N 0.176 121.392 121.223 -0.012 0.000 2.083 489 L HA -0.118 4.222 4.340 -0.001 0.000 0.209 489 L C 3.035 179.906 176.870 0.002 0.000 1.083 489 L CA 1.636 56.480 54.840 0.008 0.000 0.752 489 L CB -0.851 41.231 42.059 0.039 0.000 0.899 489 L HN 0.379 nan 8.230 nan 0.000 0.433 490 R N 0.311 120.822 120.500 0.019 0.000 2.075 490 R HA -0.170 4.169 4.340 -0.001 0.000 0.232 490 R C 2.369 178.719 176.300 0.084 0.000 1.126 490 R CA 1.309 57.433 56.100 0.039 0.000 0.963 490 R CB -0.197 30.134 30.300 0.051 0.000 0.858 490 R HN 0.269 nan 8.270 nan 0.000 0.435 491 K N 1.104 121.554 120.400 0.084 0.000 2.032 491 K HA -0.141 4.178 4.320 -0.001 0.000 0.209 491 K C 1.891 178.629 176.600 0.231 0.000 1.048 491 K CA 1.385 57.758 56.287 0.143 0.000 0.927 491 K CB -0.063 32.485 32.500 0.080 0.000 0.712 491 K HN 0.125 nan 8.250 nan 0.000 0.441 492 L N -0.428 120.840 121.223 0.076 0.000 2.418 492 L HA 0.103 4.442 4.340 -0.001 0.000 0.218 492 L C 0.957 177.652 176.870 -0.292 0.000 1.125 492 L CA 0.502 55.357 54.840 0.025 0.000 0.835 492 L CB -0.057 42.015 42.059 0.020 0.000 0.953 492 L HN 0.630 nan 8.230 nan 0.000 0.454 493 G N 0.926 109.439 108.800 -0.479 0.000 2.248 493 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.263 493 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.263 493 G C -0.160 174.589 174.900 -0.252 0.000 1.082 493 G CA -0.095 44.579 45.100 -0.710 0.000 0.863 493 G HN 0.072 nan 8.290 nan 0.000 0.495 494 V N 2.101 121.964 119.914 -0.086 0.000 2.465 494 V HA 0.491 4.610 4.120 -0.001 0.000 0.279 494 V C -0.796 175.370 176.094 0.119 0.000 1.045 494 V CA -1.410 60.929 62.300 0.066 0.000 0.938 494 V CB 1.516 33.411 31.823 0.120 0.000 0.986 494 V HN 0.372 nan 8.190 nan 0.000 0.467 495 P HA 0.149 nan 4.420 nan 0.000 0.268 495 P C -2.559 174.854 177.300 0.188 0.000 1.208 495 P CA -0.757 62.363 63.100 0.033 0.000 0.777 495 P CB 0.029 31.584 31.700 -0.242 0.000 0.875 496 P HA 0.041 nan 4.420 nan 0.000 0.279 496 P C 1.063 178.518 177.300 0.258 0.000 1.282 496 P CA -0.493 62.712 63.100 0.175 0.000 0.788 496 P CB 0.643 32.398 31.700 0.092 0.000 1.139 497 L N 1.332 122.700 121.223 0.242 0.000 1.990 497 L HA -0.213 4.126 4.340 -0.001 0.000 0.213 497 L C 2.930 179.952 176.870 0.252 0.000 1.072 497 L CA 2.342 57.347 54.840 0.275 0.000 0.755 497 L CB -1.381 40.792 42.059 0.190 0.000 0.889 497 L HN 0.420 nan 8.230 nan 0.000 0.432 498 R N -1.174 119.419 120.500 0.155 0.000 2.139 498 R HA -0.154 4.185 4.340 -0.001 0.000 0.243 498 R C 1.803 178.168 176.300 0.109 0.000 1.145 498 R CA 2.004 58.175 56.100 0.119 0.000 0.976 498 R CB -1.413 28.927 30.300 0.067 0.000 0.866 498 R HN 0.373 nan 8.270 nan 0.000 0.449 499 V N 0.337 120.273 119.914 0.036 0.000 2.283 499 V HA -0.165 3.955 4.120 -0.001 0.000 0.243 499 V C 2.056 178.095 176.094 -0.091 0.000 1.039 499 V CA 1.835 64.074 62.300 -0.102 0.000 1.016 499 V CB -0.685 30.946 31.823 -0.320 0.000 0.650 499 V HN 0.394 nan 8.190 nan 0.000 0.449 500 W N 0.183 121.579 121.300 0.160 0.000 2.374 500 W HA -0.116 4.543 4.660 -0.001 0.000 0.288 500 W C 2.726 179.440 176.519 0.325 0.000 1.218 500 W CA 1.441 58.923 57.345 0.228 0.000 1.245 500 W CB -0.210 29.393 29.460 0.238 0.000 1.126 500 W HN 0.067 nan 8.180 nan 0.000 0.545 501 R N -0.222 120.591 120.500 0.523 0.000 2.096 501 R HA -0.197 4.142 4.340 -0.001 0.000 0.235 501 R C 2.056 178.483 176.300 0.210 0.000 1.127 501 R CA 1.953 58.298 56.100 0.408 0.000 0.968 501 R CB -0.808 29.696 30.300 0.340 0.000 0.861 501 R HN 0.362 nan 8.270 nan 0.000 0.440 502 H N -0.138 118.972 119.070 0.067 0.000 2.357 502 H HA -0.030 4.525 4.556 -0.001 0.000 0.301 502 H C 2.044 177.346 175.328 -0.043 0.000 1.082 502 H CA 1.281 57.322 56.048 -0.013 0.000 1.342 502 H CB 0.268 30.012 29.762 -0.031 0.000 1.389 502 H HN 0.168 nan 8.280 nan 0.000 0.511 503 R N 0.113 120.634 120.500 0.035 0.000 2.092 503 R HA -0.066 4.274 4.340 -0.001 0.000 0.231 503 R C 2.533 178.788 176.300 -0.075 0.000 1.119 503 R CA 0.855 56.916 56.100 -0.063 0.000 0.970 503 R CB -0.104 30.188 30.300 -0.012 0.000 0.864 503 R HN 0.289 nan 8.270 nan 0.000 0.440 504 A N 1.284 124.086 122.820 -0.031 0.000 1.898 504 A HA -0.146 4.173 4.320 -0.001 0.000 0.216 504 A C 2.056 179.378 177.584 -0.437 0.000 1.181 504 A CA 1.082 52.912 52.037 -0.345 0.000 0.620 504 A CB -0.288 18.526 19.000 -0.310 0.000 0.819 504 A HN 0.199 nan 8.150 nan 0.000 0.442 505 R N -0.625 119.742 120.500 -0.222 0.000 2.081 505 R HA -0.096 4.243 4.340 -0.001 0.000 0.235 505 R C 2.646 178.861 176.300 -0.142 0.000 1.131 505 R CA 1.435 57.435 56.100 -0.166 0.000 0.960 505 R CB -0.430 29.835 30.300 -0.058 0.000 0.856 505 R HN 0.569 nan 8.270 nan 0.000 0.436 506 S N 0.400 116.034 115.700 -0.110 0.000 2.348 506 S HA -0.112 4.358 4.470 -0.001 0.000 0.221 506 S C 2.067 176.577 174.600 -0.150 0.000 1.033 506 S CA 1.378 59.514 58.200 -0.108 0.000 1.010 506 S CB -0.162 62.962 63.200 -0.127 0.000 0.891 506 S HN 0.114 nan 8.310 nan 0.000 0.442 507 V N 2.419 122.191 119.914 -0.236 0.000 2.343 507 V HA -0.135 3.984 4.120 -0.001 0.000 0.247 507 V C 2.732 178.673 176.094 -0.256 0.000 1.051 507 V CA 2.256 64.400 62.300 -0.261 0.000 1.036 507 V CB -0.852 30.710 31.823 -0.436 0.000 0.654 507 V HN 0.522 nan 8.190 nan 0.000 0.451 508 R N 0.279 120.558 120.500 -0.369 0.000 2.091 508 R HA -0.187 4.153 4.340 -0.001 0.000 0.238 508 R C 2.254 178.503 176.300 -0.085 0.000 1.136 508 R CA 1.786 57.776 56.100 -0.182 0.000 0.959 508 R CB -0.442 29.751 30.300 -0.178 0.000 0.856 508 R HN 0.487 nan 8.270 nan 0.000 0.437 509 A N 0.707 123.471 122.820 -0.093 0.000 1.898 509 A HA -0.139 4.180 4.320 -0.001 0.000 0.216 509 A C 2.176 179.741 177.584 -0.031 0.000 1.181 509 A CA 1.417 53.422 52.037 -0.053 0.000 0.620 509 A CB -0.368 18.601 19.000 -0.050 0.000 0.819 509 A HN 0.284 nan 8.150 nan 0.000 0.442 510 R N -0.327 120.153 120.500 -0.035 0.000 2.081 510 R HA -0.009 4.330 4.340 -0.001 0.000 0.235 510 R C 2.039 178.351 176.300 0.020 0.000 1.131 510 R CA 1.402 57.497 56.100 -0.008 0.000 0.960 510 R CB -0.622 29.673 30.300 -0.007 0.000 0.856 510 R HN 0.570 nan 8.270 nan 0.000 0.436 511 L N -0.088 121.155 121.223 0.032 0.000 2.017 511 L HA -0.190 4.149 4.340 -0.001 0.000 0.208 511 L C 2.217 179.115 176.870 0.048 0.000 1.073 511 L CA 1.263 56.145 54.840 0.069 0.000 0.745 511 L CB -0.567 41.552 42.059 0.100 0.000 0.894 511 L HN 0.183 nan 8.230 nan 0.000 0.432 512 L N -0.767 120.471 121.223 0.025 0.000 2.043 512 L HA -0.261 4.078 4.340 -0.001 0.000 0.212 512 L C 2.721 179.600 176.870 0.015 0.000 1.075 512 L CA 1.364 56.213 54.840 0.015 0.000 0.752 512 L CB -0.599 41.457 42.059 -0.004 0.000 0.891 512 L HN 0.242 nan 8.230 nan 0.000 0.432 513 S N -0.952 114.755 115.700 0.012 0.000 2.382 513 S HA -0.188 4.282 4.470 -0.001 0.000 0.228 513 S C 1.898 176.510 174.600 0.020 0.000 1.027 513 S CA 0.984 59.191 58.200 0.011 0.000 0.991 513 S CB -0.173 63.031 63.200 0.006 0.000 0.823 513 S HN 0.443 nan 8.310 nan 0.000 0.469 514 Q N 0.396 120.214 119.800 0.031 0.000 2.181 514 Q HA 0.043 4.382 4.340 -0.001 0.000 0.205 514 Q C 1.433 177.455 176.000 0.037 0.000 0.980 514 Q CA 0.893 56.719 55.803 0.039 0.000 0.862 514 Q CB -0.430 28.343 28.738 0.058 0.000 0.905 514 Q HN 0.595 nan 8.270 nan 0.000 0.429 515 G N -0.765 108.056 108.800 0.036 0.000 2.681 515 G HA2 -0.120 3.839 3.960 -0.001 0.000 0.220 515 G HA3 -0.120 3.839 3.960 -0.001 0.000 0.220 515 G C 0.386 175.309 174.900 0.039 0.000 1.353 515 G CA -0.276 44.843 45.100 0.032 0.000 0.872 515 G HN 0.743 nan 8.290 nan 0.000 0.557 516 G N -0.670 108.150 108.800 0.033 0.000 2.627 516 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.312 516 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.312 516 G C 1.119 176.042 174.900 0.039 0.000 1.299 516 G CA 1.785 46.905 45.100 0.034 0.000 0.989 516 G HN 1.634 nan 8.290 nan 0.000 0.547 517 R N 0.323 120.850 120.500 0.045 0.000 2.096 517 R HA 0.193 4.533 4.340 -0.001 0.000 0.235 517 R C 3.222 179.567 176.300 0.075 0.000 1.127 517 R CA 2.244 58.374 56.100 0.049 0.000 0.968 517 R CB -0.721 29.615 30.300 0.059 0.000 0.861 517 R HN 0.740 nan 8.270 nan 0.000 0.440 518 A N 1.045 123.922 122.820 0.095 0.000 1.883 518 A HA -0.190 4.130 4.320 -0.001 0.000 0.217 518 A C 2.363 180.003 177.584 0.092 0.000 1.186 518 A CA 1.908 54.020 52.037 0.125 0.000 0.624 518 A CB -0.952 18.121 19.000 0.120 0.000 0.822 518 A HN 0.402 nan 8.150 nan 0.000 0.444 519 A N -1.169 121.690 122.820 0.065 0.000 1.933 519 A HA -0.079 4.241 4.320 -0.001 0.000 0.218 519 A C 2.285 179.902 177.584 0.055 0.000 1.175 519 A CA 2.274 54.341 52.037 0.051 0.000 0.628 519 A CB -1.275 17.748 19.000 0.038 0.000 0.814 519 A HN 0.451 nan 8.150 nan 0.000 0.444 520 T N -0.751 113.836 114.554 0.055 0.000 2.720 520 T HA -0.201 4.148 4.350 -0.001 0.000 0.268 520 T C 1.892 176.620 174.700 0.046 0.000 1.037 520 T CA 1.587 63.728 62.100 0.067 0.000 1.144 520 T CB -0.704 68.149 68.868 -0.026 0.000 0.864 520 T HN 0.579 nan 8.240 nan 0.000 0.444 521 C N 1.314 120.615 119.300 0.001 0.000 2.429 521 C HA 0.035 4.494 4.460 -0.001 0.000 0.277 521 C C 3.113 178.050 174.990 -0.089 0.000 1.262 521 C CA 0.519 59.479 59.018 -0.097 0.000 1.733 521 C CB -1.529 26.160 27.740 -0.085 0.000 2.010 521 C HN 0.738 nan 8.230 nan 0.000 0.483 522 G N 0.007 108.830 108.800 0.038 0.000 2.421 522 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.216 522 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.216 522 G C 1.658 176.586 174.900 0.046 0.000 1.171 522 G CA 1.082 46.255 45.100 0.123 0.000 0.775 522 G HN 0.625 nan 8.290 nan 0.000 0.543 523 K N -0.830 119.563 120.400 -0.012 0.000 2.025 523 K HA -0.079 4.240 4.320 -0.001 0.000 0.207 523 K C 2.236 178.663 176.600 -0.288 0.000 1.049 523 K CA 1.157 57.370 56.287 -0.125 0.000 0.933 523 K CB -0.246 32.184 32.500 -0.116 0.000 0.714 523 K HN 0.401 nan 8.250 nan 0.000 0.438 524 Y N 0.740 120.819 120.300 -0.368 0.000 2.269 524 Y HA 0.008 4.557 4.550 -0.001 0.000 0.294 524 Y C 2.030 177.589 175.900 -0.568 0.000 1.120 524 Y CA 0.706 58.400 58.100 -0.677 0.000 1.159 524 Y CB -0.080 37.647 38.460 -1.222 0.000 1.024 524 Y HN -0.048 nan 8.280 nan 0.000 0.532 525 L N -1.739 119.261 121.223 -0.372 0.000 2.217 525 L HA -0.126 4.213 4.340 -0.001 0.000 0.211 525 L C 0.532 176.992 176.870 -0.684 0.000 1.107 525 L CA 1.253 55.773 54.840 -0.535 0.000 0.783 525 L CB -0.298 41.150 42.059 -1.018 0.000 0.919 525 L HN 0.172 nan 8.230 nan 0.000 0.442 526 F N -1.782 118.078 119.950 -0.151 0.000 2.805 526 F HA 0.199 4.725 4.527 -0.001 0.000 0.317 526 F C 1.576 177.039 175.800 -0.561 0.000 1.146 526 F CA -0.447 57.249 58.000 -0.506 0.000 1.265 526 F CB -0.833 37.895 39.000 -0.454 0.000 0.992 526 F HN -0.016 nan 8.300 nan 0.000 0.511 527 N N 0.942 119.536 118.700 -0.178 0.000 2.289 527 N HA -0.168 4.571 4.740 -0.001 0.000 0.184 527 N C 1.945 177.426 175.510 -0.049 0.000 1.016 527 N CA 1.410 54.389 53.050 -0.117 0.000 0.872 527 N CB -0.063 38.374 38.487 -0.082 0.000 0.973 527 N HN 0.585 nan 8.380 nan 0.000 0.433 528 W N 0.188 121.536 121.300 0.079 0.000 2.465 528 W HA 0.066 4.725 4.660 -0.001 0.000 0.268 528 W C 1.447 178.029 176.519 0.105 0.000 1.242 528 W CA 0.604 58.004 57.345 0.092 0.000 1.248 528 W CB -0.575 28.955 29.460 0.116 0.000 1.118 528 W HN -0.018 nan 8.180 nan 0.000 0.587 529 A N 1.533 124.018 122.820 -0.559 0.000 2.123 529 A HA 0.174 4.493 4.320 -0.001 0.000 0.214 529 A C 1.135 178.613 177.584 -0.176 0.000 1.152 529 A CA 1.060 52.789 52.037 -0.513 0.000 0.728 529 A CB -0.850 17.546 19.000 -1.006 0.000 0.814 529 A HN 0.134 nan 8.150 nan 0.000 0.464 530 V N -2.256 117.577 119.914 -0.135 0.000 2.716 530 V HA 0.409 4.529 4.120 -0.001 0.000 0.304 530 V C 0.905 176.982 176.094 -0.029 0.000 1.053 530 V CA -0.301 61.953 62.300 -0.078 0.000 0.984 530 V CB 1.555 33.325 31.823 -0.089 0.000 1.021 530 V HN 0.494 nan 8.190 nan 0.000 0.467 531 K N 1.030 121.415 120.400 -0.024 0.000 2.228 531 K HA 0.074 4.393 4.320 -0.001 0.000 0.202 531 K C 0.571 177.158 176.600 -0.021 0.000 1.051 531 K CA 0.987 57.267 56.287 -0.012 0.000 0.960 531 K CB -0.210 32.282 32.500 -0.013 0.000 0.743 531 K HN 0.648 nan 8.250 nan 0.000 0.458 532 T N 2.645 117.180 114.554 -0.032 0.000 3.262 532 T HA 0.248 4.597 4.350 -0.001 0.000 0.374 532 T C -0.738 173.936 174.700 -0.043 0.000 1.504 532 T CA -0.653 61.426 62.100 -0.035 0.000 1.158 532 T CB 0.736 69.583 68.868 -0.035 0.000 1.157 532 T HN 0.026 nan 8.240 nan 0.000 0.644 533 K N 1.946 122.322 120.400 -0.040 0.000 2.494 533 K HA 0.274 4.593 4.320 -0.001 0.000 0.273 533 K C 0.245 176.807 176.600 -0.063 0.000 0.970 533 K CA -0.109 56.150 56.287 -0.048 0.000 0.963 533 K CB 0.158 32.638 32.500 -0.033 0.000 0.913 533 K HN 0.240 nan 8.250 nan 0.000 0.502 534 L N 1.798 122.967 121.223 -0.090 0.000 2.635 534 L HA 0.294 4.633 4.340 -0.001 0.000 0.250 534 L C 1.737 178.544 176.870 -0.106 0.000 1.117 534 L CA -0.053 54.723 54.840 -0.107 0.000 0.834 534 L CB 0.315 42.283 42.059 -0.152 0.000 1.544 534 L HN 0.725 nan 8.230 nan 0.000 0.511 535 K N -0.081 120.252 120.400 -0.112 0.000 1.975 535 K HA 0.011 4.331 4.320 -0.001 0.000 0.210 535 K C -0.454 176.077 176.600 -0.116 0.000 1.041 535 K CA 0.376 56.612 56.287 -0.086 0.000 0.942 535 K CB -0.295 32.169 32.500 -0.060 0.000 0.729 535 K HN 0.134 nan 8.250 nan 0.000 0.439 536 L N 2.276 123.367 121.223 -0.221 0.000 3.000 536 L HA -0.134 4.205 4.340 -0.001 0.000 0.682 536 L C -0.575 176.305 176.870 0.017 0.000 1.047 536 L CA 1.248 55.891 54.840 -0.329 0.000 1.334 536 L CB -1.852 40.010 42.059 -0.329 0.000 1.859 536 L HN 0.847 nan 8.230 nan 0.000 0.890 537 T N 0.958 115.599 114.554 0.145 0.000 2.942 537 T HA 0.892 5.241 4.350 -0.001 0.000 0.289 537 T C -2.516 172.326 174.700 0.236 0.000 1.044 537 T CA -2.353 59.847 62.100 0.166 0.000 1.023 537 T CB 2.157 71.083 68.868 0.097 0.000 1.123 537 T HN 0.178 nan 8.240 nan 0.000 0.512 538 P HA 0.112 nan 4.420 nan 0.000 0.264 538 P C -0.608 176.719 177.300 0.046 0.000 1.173 538 P CA 0.172 63.329 63.100 0.094 0.000 0.761 538 P CB 0.134 31.869 31.700 0.059 0.000 0.794 539 I N 5.829 126.378 120.570 -0.034 0.000 2.325 539 I HA 0.135 4.305 4.170 -0.001 0.000 0.291 539 I C -1.289 174.797 176.117 -0.052 0.000 1.019 539 I CA -2.029 59.216 61.300 -0.092 0.000 1.302 539 I CB 1.386 39.253 38.000 -0.222 0.000 1.401 539 I HN 0.323 nan 8.210 nan 0.000 0.485 540 P HA -0.216 nan 4.420 nan 0.000 0.213 540 P C 1.482 178.762 177.300 -0.034 0.000 1.170 540 P CA 1.282 64.368 63.100 -0.023 0.000 0.902 540 P CB 0.211 31.903 31.700 -0.013 0.000 0.789 541 A N -0.386 122.410 122.820 -0.040 0.000 2.139 541 A HA -0.163 4.156 4.320 -0.001 0.000 0.221 541 A C 2.213 179.764 177.584 -0.055 0.000 1.159 541 A CA 1.877 53.889 52.037 -0.041 0.000 0.662 541 A CB -1.537 17.440 19.000 -0.038 0.000 0.796 541 A HN 0.208 nan 8.150 nan 0.000 0.463 542 A N 0.679 123.461 122.820 -0.064 0.000 1.873 542 A HA -0.190 4.129 4.320 -0.001 0.000 0.218 542 A C 2.535 180.074 177.584 -0.075 0.000 1.193 542 A CA 2.560 54.553 52.037 -0.074 0.000 0.629 542 A CB -1.222 17.739 19.000 -0.065 0.000 0.826 542 A HN 1.178 nan 8.150 nan 0.000 0.447 543 S N -0.351 115.315 115.700 -0.057 0.000 2.419 543 S HA -0.293 4.176 4.470 -0.001 0.000 0.235 543 S C 1.894 176.459 174.600 -0.059 0.000 1.019 543 S CA 1.575 59.742 58.200 -0.054 0.000 0.982 543 S CB -0.633 62.545 63.200 -0.036 0.000 0.789 543 S HN 0.707 nan 8.310 nan 0.000 0.490 544 Q N 0.875 120.642 119.800 -0.055 0.000 2.050 544 Q HA 0.092 4.432 4.340 -0.001 0.000 0.202 544 Q C 0.472 176.430 176.000 -0.071 0.000 0.980 544 Q CA 0.634 56.406 55.803 -0.052 0.000 0.840 544 Q CB -0.553 28.160 28.738 -0.040 0.000 0.898 544 Q HN 0.541 nan 8.270 nan 0.000 0.424 545 L N 2.649 123.815 121.223 -0.094 0.000 2.678 545 L HA -0.094 4.245 4.340 -0.001 0.000 0.285 545 L C 0.332 177.103 176.870 -0.165 0.000 1.233 545 L CA 0.005 54.762 54.840 -0.138 0.000 0.920 545 L CB -0.030 41.912 42.059 -0.195 0.000 1.176 545 L HN 0.166 nan 8.230 nan 0.000 0.495 546 D N 4.726 125.035 120.400 -0.151 0.000 2.456 546 D HA 0.162 4.801 4.640 -0.001 0.000 0.219 546 D C 0.133 176.291 176.300 -0.236 0.000 1.126 546 D CA -0.419 53.497 54.000 -0.140 0.000 0.890 546 D CB 1.125 41.882 40.800 -0.070 0.000 1.025 546 D HN 0.283 nan 8.370 nan 0.000 0.511 547 L N 2.952 123.970 121.223 -0.341 0.000 2.728 547 L HA 0.084 4.423 4.340 -0.001 0.000 0.235 547 L C 0.887 177.649 176.870 -0.181 0.000 1.197 547 L CA -0.072 54.411 54.840 -0.595 0.000 0.992 547 L CB -0.448 41.176 42.059 -0.725 0.000 1.263 547 L HN 0.247 nan 8.230 nan 0.000 0.484 548 S N -0.907 114.763 115.700 -0.049 0.000 2.531 548 S HA 0.528 4.997 4.470 -0.001 0.000 0.279 548 S C 1.310 175.980 174.600 0.116 0.000 1.305 548 S CA 0.052 58.276 58.200 0.040 0.000 1.058 548 S CB 1.121 64.328 63.200 0.012 0.000 0.899 548 S HN 0.547 nan 8.310 nan 0.000 0.493 549 G N 2.179 111.078 108.800 0.164 0.000 2.175 549 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.244 549 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.244 549 G C 0.383 175.481 174.900 0.330 0.000 0.982 549 G CA 0.212 45.429 45.100 0.196 0.000 0.641 549 G HN 0.697 nan 8.290 nan 0.000 0.527 550 W N -0.140 121.137 121.300 -0.038 0.000 2.443 550 W HA 0.520 5.180 4.660 -0.001 0.000 0.296 550 W C 0.980 177.147 176.519 -0.587 0.000 1.202 550 W CA 1.081 58.212 57.345 -0.356 0.000 1.312 550 W CB -0.066 29.009 29.460 -0.641 0.000 1.120 550 W HN 0.175 nan 8.180 nan 0.000 0.536 551 F N -0.561 119.598 119.950 0.348 0.000 2.584 551 F HA 0.293 4.820 4.527 -0.001 0.000 0.328 551 F C 0.446 176.401 175.800 0.257 0.000 1.407 551 F CA -0.548 57.640 58.000 0.314 0.000 1.145 551 F CB -0.022 39.118 39.000 0.234 0.000 1.440 551 F HN -0.399 nan 8.300 nan 0.000 0.580 552 V N 0.026 120.166 119.914 0.378 0.000 2.996 552 V HA 0.646 4.765 4.120 -0.001 0.000 0.235 552 V C 0.799 177.043 176.094 0.250 0.000 1.205 552 V CA 0.630 63.092 62.300 0.269 0.000 1.225 552 V CB 0.581 32.548 31.823 0.239 0.000 0.995 552 V HN 0.414 nan 8.190 nan 0.000 0.484 553 A N -0.693 122.235 122.820 0.181 0.000 2.610 553 A HA 0.749 5.068 4.320 -0.001 0.000 0.291 553 A C -0.281 176.945 177.584 -0.596 0.000 1.086 553 A CA 0.103 52.091 52.037 -0.081 0.000 0.677 553 A CB 0.929 19.761 19.000 -0.281 0.000 1.278 553 A HN 0.400 nan 8.150 nan 0.000 0.414 554 G N -1.116 107.008 108.800 -1.127 0.000 2.395 554 G HA2 0.525 4.485 3.960 -0.001 0.000 0.283 554 G HA3 0.525 4.485 3.960 -0.001 0.000 0.283 554 G C -0.808 173.404 174.900 -1.148 0.000 1.178 554 G CA -0.031 44.033 45.100 -1.726 0.000 0.837 554 G HN 0.612 nan 8.290 nan 0.000 0.518 555 Y N 0.799 120.866 120.300 -0.389 0.000 2.742 555 Y HA 0.279 4.829 4.550 -0.001 0.000 0.248 555 Y C 1.311 177.124 175.900 -0.146 0.000 1.132 555 Y CA -0.817 57.160 58.100 -0.206 0.000 1.142 555 Y CB 0.478 38.852 38.460 -0.143 0.000 1.222 555 Y HN 0.522 nan 8.280 nan 0.000 0.575 556 S N 1.004 116.662 115.700 -0.071 0.000 2.673 556 S HA 0.259 4.729 4.470 -0.001 0.000 0.308 556 S C 1.494 176.109 174.600 0.025 0.000 1.246 556 S CA 1.473 59.669 58.200 -0.006 0.000 1.077 556 S CB -0.177 63.023 63.200 -0.001 0.000 0.814 556 S HN 1.089 nan 8.310 nan 0.000 0.503 557 G N 3.677 112.495 108.800 0.030 0.000 2.189 557 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.267 557 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.267 557 G C 0.864 175.792 174.900 0.046 0.000 0.975 557 G CA 0.441 45.562 45.100 0.036 0.000 0.644 557 G HN 1.390 nan 8.290 nan 0.000 0.537 558 G N -0.149 108.685 108.800 0.056 0.000 2.920 558 G HA2 0.338 4.298 3.960 -0.001 0.000 0.208 558 G HA3 0.338 4.298 3.960 -0.001 0.000 0.208 558 G C 0.522 175.444 174.900 0.036 0.000 1.159 558 G CA 1.110 46.261 45.100 0.084 0.000 0.784 558 G HN 1.335 nan 8.290 nan 0.000 0.535 559 D N -0.575 119.815 120.400 -0.016 0.000 2.746 559 D HA -0.161 4.478 4.640 -0.001 0.000 0.241 559 D C -0.250 175.992 176.300 -0.097 0.000 1.140 559 D CA 0.318 54.284 54.000 -0.057 0.000 0.707 559 D CB -1.135 39.645 40.800 -0.032 0.000 1.034 559 D HN 0.083 nan 8.370 nan 0.000 0.423 560 I N 1.588 122.060 120.570 -0.164 0.000 2.474 560 I HA 0.426 4.595 4.170 -0.001 0.000 0.294 560 I C -0.103 175.788 176.117 -0.376 0.000 1.005 560 I CA -0.802 60.299 61.300 -0.332 0.000 1.113 560 I CB 1.314 38.974 38.000 -0.566 0.000 1.289 560 I HN 0.155 nan 8.210 nan 0.000 0.436 561 Y N 5.618 125.585 120.300 -0.555 0.000 2.499 561 Y HA 0.532 5.081 4.550 -0.001 0.000 0.347 561 Y C -1.145 174.427 175.900 -0.548 0.000 0.987 561 Y CA -0.622 57.173 58.100 -0.508 0.000 1.044 561 Y CB 1.699 39.988 38.460 -0.286 0.000 1.245 561 Y HN 0.579 nan 8.280 nan 0.000 0.461 562 H N 3.502 121.796 119.070 -1.293 0.000 2.840 562 H HA 0.483 5.039 4.556 -0.001 0.000 0.340 562 H C -0.374 174.369 175.328 -0.975 0.000 1.004 562 H CA -0.327 55.142 56.048 -0.964 0.000 1.288 562 H CB 1.599 30.840 29.762 -0.870 0.000 1.607 562 H HN 0.963 nan 8.280 nan 0.000 0.522 563 S N 0.000 115.447 115.700 -0.421 0.000 2.498 563 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 563 S CA 0.000 58.095 58.200 -0.175 0.000 1.107 563 S CB 0.000 63.180 63.200 -0.034 0.000 0.593 563 S HN 0.000 nan 8.310 nan 0.000 0.517