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 2buc_1_A DATA FIRST_RESID 39 DATA SEQUENCE SRRTYTLTDY LKSTFRVKFY TLQWISDHEY LYKQENNILL FNAEYGNSSI DATA SEQUENCE FLENSTFDEL GYSTNDYSVS PDRQFILFEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWITWS PVGHKLAYVW NNDIYVKNEP NLSSQRITWT DATA SEQUENCE GKENVIYNGV TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRIPYPK AGAENPTVKF FVVDTRTLSP NASVTSYQIV DATA SEQUENCE PPASVLIGDH YLCGVTWVTE ERISLQWIRR AQNYSIIDIC DYDESTGRWI DATA SEQUENCE SSVARQHIEI STTGWVGRFR PAEPHFTSDG NSFYKIISNE EGYKHIcHFQ DATA SEQUENCE TDKSNcTFIT KGAWEVIGIE ALTSDYLYYI SNEHKGMPGG RNLYRIQLND DATA SEQUENCE YTKVTCLSCE LNPERcQYYS ASFSNKAKYY QLRcFGPGLP LYTLHSSSSD DATA SEQUENCE KELRVLEDNS ALDKMLQDVQ MPSKKLDVIN LHGTKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLIEVYA GPCSQKVDTV FRLSWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE ATRQFSKMGF VDDKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGAGSGVFK cGIAVAPVSK WEYYDSVYTE RYMGLPTPED NLDYYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ LSKALVDAGV DFQTMWYTDE DATA SEQUENCE DHGIASNMAH QHIYTHMSHF LKQcFSLP 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 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.651 174.600 0.085 0.000 1.055 39 S CA 0.000 58.241 58.200 0.068 0.000 1.107 39 S CB 0.000 63.234 63.200 0.058 0.000 0.593 40 R N 1.756 122.302 120.500 0.077 0.000 1.134 40 R HA -0.107 3.930 4.340 -0.505 0.000 0.422 40 R C -0.936 175.412 176.300 0.080 0.000 1.353 40 R CA 0.956 57.106 56.100 0.083 0.000 1.224 40 R CB -0.363 29.993 30.300 0.094 0.000 3.509 40 R HN 0.704 nan 8.270 nan 0.000 0.499 41 R N 0.712 121.264 120.500 0.086 0.000 2.637 41 R HA 0.455 4.492 4.340 -0.505 0.000 0.269 41 R C 0.344 176.699 176.300 0.090 0.000 1.089 41 R CA -0.274 55.880 56.100 0.090 0.000 1.177 41 R CB 0.405 30.767 30.300 0.104 0.000 1.091 41 R HN 0.673 nan 8.270 nan 0.000 0.540 42 T N -2.301 112.308 114.554 0.092 0.000 2.945 42 T HA 0.223 4.270 4.350 -0.505 0.000 0.286 42 T C -0.653 174.139 174.700 0.152 0.000 1.025 42 T CA -0.818 61.339 62.100 0.096 0.000 1.039 42 T CB 0.775 69.686 68.868 0.073 0.000 1.068 42 T HN 0.526 nan 8.240 nan 0.000 0.497 43 Y N 3.213 123.531 120.300 0.030 0.000 2.697 43 Y HA 0.291 4.538 4.550 -0.505 0.000 0.349 43 Y C 1.241 177.253 175.900 0.187 0.000 1.120 43 Y CA -0.013 58.126 58.100 0.065 0.000 1.468 43 Y CB -0.255 38.178 38.460 -0.045 0.000 1.182 43 Y HN 1.011 nan 8.280 nan 0.000 0.525 44 T N 2.224 116.783 114.554 0.008 0.000 2.788 44 T HA 0.088 4.135 4.350 -0.505 0.000 0.280 44 T C 0.971 175.666 174.700 -0.007 0.000 0.984 44 T CA -0.643 61.526 62.100 0.114 0.000 0.972 44 T CB 1.082 69.967 68.868 0.030 0.000 1.039 44 T HN 0.681 nan 8.240 nan 0.000 0.530 45 L N 0.834 121.883 121.223 -0.291 0.000 2.093 45 L HA 0.055 4.092 4.340 -0.505 0.000 0.208 45 L C 2.637 179.404 176.870 -0.173 0.000 1.085 45 L CA 2.073 56.576 54.840 -0.561 0.000 0.755 45 L CB -1.421 40.116 42.059 -0.871 0.000 0.904 45 L HN 0.964 nan 8.230 nan 0.000 0.435 46 T N -1.039 113.437 114.554 -0.130 0.000 2.833 46 T HA -0.164 3.884 4.350 -0.505 0.000 0.269 46 T C 1.547 176.201 174.700 -0.077 0.000 1.054 46 T CA 1.411 63.465 62.100 -0.076 0.000 1.135 46 T CB -0.409 68.428 68.868 -0.051 0.000 0.869 46 T HN 0.410 nan 8.240 nan 0.000 0.466 47 D N 0.046 120.362 120.400 -0.140 0.000 2.144 47 D HA -0.072 4.265 4.640 -0.505 0.000 0.200 47 D C 1.751 178.002 176.300 -0.081 0.000 0.978 47 D CA 0.994 54.866 54.000 -0.214 0.000 0.833 47 D CB -0.116 40.322 40.800 -0.602 0.000 0.961 47 D HN 0.445 nan 8.370 nan 0.000 0.470 48 Y N 1.455 121.695 120.300 -0.100 0.000 2.206 48 Y HA -0.011 4.235 4.550 -0.506 0.000 0.292 48 Y C 2.165 178.131 175.900 0.109 0.000 1.123 48 Y CA 0.970 59.167 58.100 0.162 0.000 1.142 48 Y CB -0.516 38.095 38.460 0.251 0.000 1.006 48 Y HN -0.159 nan 8.280 nan 0.000 0.518 49 L N 0.254 121.372 121.223 -0.176 0.000 2.201 49 L HA -0.141 3.896 4.340 -0.505 0.000 0.212 49 L C 1.930 178.740 176.870 -0.100 0.000 1.105 49 L CA 1.266 55.981 54.840 -0.209 0.000 0.775 49 L CB -0.362 41.647 42.059 -0.083 0.000 0.913 49 L HN 0.125 nan 8.230 nan 0.000 0.440 50 K N -0.615 119.746 120.400 -0.065 0.000 2.367 50 K HA 0.175 4.192 4.320 -0.505 0.000 0.194 50 K C 0.641 177.226 176.600 -0.025 0.000 1.027 50 K CA 0.223 56.487 56.287 -0.039 0.000 1.075 50 K CB 0.695 33.175 32.500 -0.033 0.000 0.845 50 K HN 0.095 nan 8.250 nan 0.000 0.529 51 S N 1.210 116.908 115.700 -0.003 0.000 3.682 51 S HA -0.138 4.029 4.470 -0.505 0.000 0.354 51 S C 1.190 175.837 174.600 0.078 0.000 1.034 51 S CA 1.019 59.264 58.200 0.074 0.000 1.084 51 S CB -2.127 61.102 63.200 0.048 0.000 0.903 51 S HN 0.594 nan 8.310 nan 0.000 0.470 52 T N -2.067 112.511 114.554 0.041 0.000 2.833 52 T HA -0.006 4.041 4.350 -0.505 0.000 0.269 52 T C 0.524 175.133 174.700 -0.151 0.000 1.054 52 T CA 0.862 62.909 62.100 -0.088 0.000 1.135 52 T CB -0.433 68.323 68.868 -0.187 0.000 0.869 52 T HN 0.461 nan 8.240 nan 0.000 0.466 53 F N 2.602 122.619 119.950 0.111 0.000 2.377 53 F HA 0.528 4.752 4.527 -0.505 0.000 0.360 53 F C 0.720 176.629 175.800 0.182 0.000 1.147 53 F CA -1.348 56.756 58.000 0.174 0.000 1.170 53 F CB 0.344 39.520 39.000 0.294 0.000 1.339 53 F HN -0.144 nan 8.300 nan 0.000 0.552 54 R N 2.116 122.757 120.500 0.234 0.000 2.389 54 R HA 0.427 4.465 4.340 -0.505 0.000 0.295 54 R C -1.232 175.208 176.300 0.235 0.000 1.075 54 R CA -0.263 55.954 56.100 0.196 0.000 1.005 54 R CB 0.627 30.988 30.300 0.102 0.000 0.987 54 R HN 0.372 nan 8.270 nan 0.000 0.452 55 V N 5.887 125.962 119.914 0.269 0.000 2.348 55 V HA 0.295 4.112 4.120 -0.505 0.000 0.270 55 V C 0.266 176.534 176.094 0.290 0.000 1.037 55 V CA -0.606 61.874 62.300 0.301 0.000 0.872 55 V CB 1.051 33.099 31.823 0.374 0.000 1.002 55 V HN 0.685 nan 8.190 nan 0.000 0.464 56 K N 4.538 125.048 120.400 0.183 0.000 2.126 56 K HA 0.719 4.736 4.320 -0.505 0.000 0.257 56 K C -0.516 176.147 176.600 0.105 0.000 1.007 56 K CA -0.101 56.208 56.287 0.036 0.000 0.928 56 K CB 0.921 33.394 32.500 -0.045 0.000 1.013 56 K HN 0.626 nan 8.250 nan 0.000 0.473 57 F N -1.461 118.410 119.950 -0.130 0.000 2.685 57 F HA 0.460 4.684 4.527 -0.504 0.000 0.315 57 F C -1.520 173.975 175.800 -0.509 0.000 1.126 57 F CA -1.296 56.408 58.000 -0.493 0.000 0.950 57 F CB 0.968 39.877 39.000 -0.153 0.000 1.360 57 F HN 0.351 nan 8.300 nan 0.000 0.469 58 Y N 1.109 120.908 120.300 -0.835 0.000 2.594 58 Y HA 0.496 4.743 4.550 -0.505 0.000 0.338 58 Y C -0.838 175.035 175.900 -0.045 0.000 1.019 58 Y CA -0.614 57.230 58.100 -0.426 0.000 1.306 58 Y CB 1.318 39.429 38.460 -0.582 0.000 1.094 58 Y HN 0.759 nan 8.280 nan 0.000 0.534 59 T N 6.892 121.518 114.554 0.121 0.000 2.743 59 T HA 0.539 4.586 4.350 -0.505 0.000 0.293 59 T C -0.636 174.138 174.700 0.123 0.000 0.945 59 T CA -0.416 61.799 62.100 0.192 0.000 1.030 59 T CB 0.143 69.169 68.868 0.263 0.000 0.912 59 T HN 0.509 nan 8.240 nan 0.000 0.483 60 L N 1.487 122.739 121.223 0.049 0.000 2.333 60 L HA 0.757 4.794 4.340 -0.505 0.000 0.263 60 L C -0.526 176.327 176.870 -0.028 0.000 1.014 60 L CA -1.121 53.702 54.840 -0.028 0.000 0.820 60 L CB 1.650 43.447 42.059 -0.436 0.000 1.352 60 L HN 0.363 nan 8.230 nan 0.000 0.421 61 Q N 1.019 120.838 119.800 0.032 0.000 2.357 61 Q HA 0.375 4.412 4.340 -0.505 0.000 0.266 61 Q C -1.811 174.243 176.000 0.090 0.000 1.021 61 Q CA -0.267 55.590 55.803 0.090 0.000 0.784 61 Q CB 1.312 30.134 28.738 0.140 0.000 1.243 61 Q HN 0.665 nan 8.270 nan 0.000 0.465 62 W N 4.533 125.943 121.300 0.185 0.000 2.368 62 W HA 0.149 4.506 4.660 -0.505 0.000 0.316 62 W C 0.866 177.464 176.519 0.131 0.000 1.375 62 W CA -0.262 57.190 57.345 0.179 0.000 1.261 62 W CB 0.413 29.975 29.460 0.169 0.000 1.298 62 W HN 0.661 nan 8.180 nan 0.000 0.539 63 I N 0.667 121.439 120.570 0.337 0.000 4.240 63 I HA 0.336 4.203 4.170 -0.505 0.000 0.331 63 I C 0.548 176.744 176.117 0.132 0.000 1.381 63 I CA -0.135 61.269 61.300 0.174 0.000 1.136 63 I CB -0.165 37.865 38.000 0.049 0.000 1.137 63 I HN 0.133 nan 8.210 nan 0.000 0.411 64 S N 0.087 115.901 115.700 0.190 0.000 2.757 64 S HA 0.274 4.442 4.470 -0.505 0.000 0.285 64 S C -0.115 174.587 174.600 0.170 0.000 1.196 64 S CA -0.047 58.209 58.200 0.093 0.000 0.856 64 S CB 0.651 63.779 63.200 -0.119 0.000 1.212 64 S HN 0.325 nan 8.310 nan 0.000 0.516 65 D N -0.067 120.419 120.400 0.142 0.000 2.349 65 D HA -0.047 4.290 4.640 -0.505 0.000 0.224 65 D C 0.908 177.445 176.300 0.395 0.000 1.029 65 D CA 0.830 54.965 54.000 0.225 0.000 0.879 65 D CB -0.419 40.531 40.800 0.249 0.000 0.906 65 D HN 0.843 nan 8.370 nan 0.000 0.528 66 H N -1.374 117.878 119.070 0.303 0.000 3.726 66 H HA 0.389 4.642 4.556 -0.504 0.000 0.262 66 H C -0.504 174.939 175.328 0.192 0.000 1.181 66 H CA -0.406 55.770 56.048 0.213 0.000 1.143 66 H CB 0.178 30.005 29.762 0.108 0.000 1.627 66 H HN 0.021 nan 8.280 nan 0.000 0.750 67 E N 1.142 121.387 120.200 0.075 0.000 2.288 67 E HA 0.487 4.534 4.350 -0.505 0.000 0.268 67 E C -1.513 175.157 176.600 0.117 0.000 0.885 67 E CA -1.181 55.219 56.400 0.001 0.000 0.767 67 E CB 2.808 32.422 29.700 -0.144 0.000 1.220 67 E HN 0.308 nan 8.360 nan 0.000 0.427 68 Y N -0.725 119.504 120.300 -0.117 0.000 2.597 68 Y HA 0.638 4.885 4.550 -0.505 0.000 0.340 68 Y C -1.908 173.966 175.900 -0.043 0.000 1.097 68 Y CA -1.450 56.516 58.100 -0.224 0.000 1.037 68 Y CB 0.761 38.772 38.460 -0.749 0.000 1.305 68 Y HN 0.347 nan 8.280 nan 0.000 0.463 69 L N 3.331 124.682 121.223 0.213 0.000 2.322 69 L HA 0.571 4.608 4.340 -0.505 0.000 0.279 69 L C -1.182 175.968 176.870 0.466 0.000 1.036 69 L CA -0.956 54.030 54.840 0.243 0.000 0.807 69 L CB 1.486 43.635 42.059 0.149 0.000 1.226 69 L HN 0.753 nan 8.230 nan 0.000 0.433 70 Y N 1.887 122.384 120.300 0.327 0.000 2.470 70 Y HA 0.365 4.612 4.550 -0.505 0.000 0.341 70 Y C -0.787 175.217 175.900 0.173 0.000 1.021 70 Y CA -1.304 56.917 58.100 0.202 0.000 1.025 70 Y CB 1.700 40.196 38.460 0.061 0.000 1.266 70 Y HN 0.477 nan 8.280 nan 0.000 0.448 71 K N 5.287 125.301 120.400 -0.644 0.000 2.267 71 K HA 0.270 4.288 4.320 -0.505 0.000 0.282 71 K C -1.079 174.941 176.600 -0.967 0.000 1.078 71 K CA -0.290 55.663 56.287 -0.556 0.000 0.903 71 K CB 0.493 32.864 32.500 -0.214 0.000 1.111 71 K HN 0.822 nan 8.250 nan 0.000 0.475 72 Q N 3.946 123.439 119.800 -0.512 0.000 2.275 72 Q HA 0.091 4.128 4.340 -0.505 0.000 0.266 72 Q C -1.118 174.795 176.000 -0.146 0.000 1.002 72 Q CA -0.203 55.430 55.803 -0.283 0.000 0.761 72 Q CB 1.186 29.957 28.738 0.056 0.000 1.255 72 Q HN 0.748 nan 8.270 nan 0.000 0.446 73 E N 3.248 123.358 120.200 -0.151 0.000 2.476 73 E HA -0.361 3.686 4.350 -0.505 0.000 0.251 73 E C -0.393 176.103 176.600 -0.173 0.000 1.130 73 E CA 0.634 56.957 56.400 -0.130 0.000 0.736 73 E CB -1.143 28.513 29.700 -0.072 0.000 1.298 73 E HN 0.940 nan 8.360 nan 0.000 0.400 74 N N -2.086 116.460 118.700 -0.257 0.000 2.900 74 N HA -0.185 4.252 4.740 -0.505 0.000 0.240 74 N C -0.538 174.811 175.510 -0.268 0.000 0.953 74 N CA 1.562 54.376 53.050 -0.395 0.000 0.950 74 N CB -1.179 37.034 38.487 -0.457 0.000 1.102 74 N HN 0.384 nan 8.380 nan 0.000 0.593 75 N N 0.971 119.588 118.700 -0.139 0.000 2.499 75 N HA 0.469 4.906 4.740 -0.505 0.000 0.281 75 N C -0.085 175.403 175.510 -0.036 0.000 1.098 75 N CA -0.139 52.888 53.050 -0.038 0.000 0.979 75 N CB 1.057 39.529 38.487 -0.024 0.000 1.121 75 N HN 0.153 nan 8.380 nan 0.000 0.466 76 I N 2.761 123.345 120.570 0.023 0.000 2.297 76 I HA 0.237 4.104 4.170 -0.505 0.000 0.291 76 I C -0.649 175.516 176.117 0.080 0.000 1.033 76 I CA -0.407 60.901 61.300 0.014 0.000 1.253 76 I CB 0.317 38.278 38.000 -0.066 0.000 1.396 76 I HN 0.235 nan 8.210 nan 0.000 0.476 77 L N 6.772 128.040 121.223 0.074 0.000 2.329 77 L HA 0.436 4.473 4.340 -0.505 0.000 0.279 77 L C -0.376 176.428 176.870 -0.109 0.000 1.014 77 L CA -0.779 54.013 54.840 -0.080 0.000 0.814 77 L CB 1.779 43.633 42.059 -0.343 0.000 1.257 77 L HN 0.448 nan 8.230 nan 0.000 0.424 78 L N 3.748 124.872 121.223 -0.166 0.000 2.356 78 L HA 0.376 4.413 4.340 -0.505 0.000 0.282 78 L C -0.718 175.969 176.870 -0.305 0.000 1.132 78 L CA 0.380 55.107 54.840 -0.188 0.000 0.923 78 L CB -0.624 41.372 42.059 -0.104 0.000 1.278 78 L HN 0.216 nan 8.230 nan 0.000 0.436 79 F N 3.081 122.781 119.950 -0.417 0.000 2.443 79 F HA 0.252 4.476 4.527 -0.505 0.000 0.353 79 F C 1.103 176.580 175.800 -0.539 0.000 1.101 79 F CA -0.024 57.650 58.000 -0.543 0.000 1.226 79 F CB 0.444 38.886 39.000 -0.929 0.000 1.140 79 F HN 0.453 nan 8.300 nan 0.000 0.557 80 N N 1.846 120.483 118.700 -0.105 0.000 2.426 80 N HA 0.314 4.751 4.740 -0.505 0.000 0.275 80 N C 0.368 175.824 175.510 -0.089 0.000 1.019 80 N CA 0.022 53.040 53.050 -0.053 0.000 0.941 80 N CB 1.832 40.386 38.487 0.112 0.000 1.123 80 N HN 0.769 nan 8.380 nan 0.000 0.486 81 A N 3.258 125.975 122.820 -0.172 0.000 2.016 81 A HA -0.053 3.964 4.320 -0.505 0.000 0.217 81 A C 1.820 179.103 177.584 -0.503 0.000 1.162 81 A CA 0.968 52.816 52.037 -0.315 0.000 0.662 81 A CB -0.189 18.525 19.000 -0.477 0.000 0.812 81 A HN 0.811 nan 8.150 nan 0.000 0.450 82 E N -1.634 118.238 120.200 -0.546 0.000 2.085 82 E HA -0.203 3.845 4.350 -0.505 0.000 0.194 82 E C 1.202 177.473 176.600 -0.549 0.000 0.994 82 E CA 1.976 58.026 56.400 -0.584 0.000 0.801 82 E CB -0.080 29.073 29.700 -0.912 0.000 0.743 82 E HN 0.835 nan 8.360 nan 0.000 0.453 83 Y N -3.337 116.964 120.300 0.001 0.000 3.059 83 Y HA 0.451 4.698 4.550 -0.505 0.000 0.212 83 Y C 1.686 177.590 175.900 0.007 0.000 0.947 83 Y CA 0.140 58.247 58.100 0.012 0.000 1.571 83 Y CB 0.303 38.770 38.460 0.011 0.000 1.432 83 Y HN 0.033 nan 8.280 nan 0.000 0.450 84 G N -0.355 108.565 108.800 0.200 0.000 3.578 84 G HA2 -0.141 3.516 3.960 -0.505 0.000 0.220 84 G HA3 -0.141 3.516 3.960 -0.505 0.000 0.220 84 G C -0.642 174.336 174.900 0.129 0.000 0.933 84 G CA -0.320 44.859 45.100 0.132 0.000 0.847 84 G HN 0.368 nan 8.290 nan 0.000 0.612 85 N N 1.627 120.398 118.700 0.119 0.000 2.518 85 N HA 0.451 4.888 4.740 -0.505 0.000 0.266 85 N C -0.112 175.373 175.510 -0.042 0.000 1.196 85 N CA 0.774 53.844 53.050 0.034 0.000 0.947 85 N CB 1.432 39.925 38.487 0.011 0.000 1.098 85 N HN 0.628 nan 8.380 nan 0.000 0.450 86 S N 0.113 115.714 115.700 -0.164 0.000 2.502 86 S HA 0.550 4.717 4.470 -0.505 0.000 0.304 86 S C -0.677 173.762 174.600 -0.268 0.000 1.097 86 S CA -0.916 57.050 58.200 -0.390 0.000 1.045 86 S CB 1.004 63.627 63.200 -0.961 0.000 1.019 86 S HN 0.511 nan 8.310 nan 0.000 0.481 87 S N 2.311 117.886 115.700 -0.210 0.000 2.541 87 S HA 0.499 4.666 4.470 -0.505 0.000 0.283 87 S C 0.030 174.576 174.600 -0.090 0.000 1.196 87 S CA -0.833 57.303 58.200 -0.106 0.000 1.062 87 S CB 0.359 63.543 63.200 -0.028 0.000 1.009 87 S HN 0.727 nan 8.310 nan 0.000 0.502 88 I N 2.636 123.172 120.570 -0.056 0.000 2.406 88 I HA 0.151 4.018 4.170 -0.505 0.000 0.293 88 I C 0.663 176.802 176.117 0.038 0.000 1.101 88 I CA 0.117 61.403 61.300 -0.023 0.000 1.334 88 I CB -0.449 37.529 38.000 -0.037 0.000 1.421 88 I HN 0.635 nan 8.210 nan 0.000 0.513 89 F N 6.040 125.947 119.950 -0.072 0.000 2.219 89 F HA 0.317 4.541 4.527 -0.505 0.000 0.294 89 F C 0.626 176.414 175.800 -0.021 0.000 1.086 89 F CA 0.567 58.540 58.000 -0.045 0.000 1.330 89 F CB 0.514 39.490 39.000 -0.039 0.000 1.047 89 F HN 0.325 nan 8.300 nan 0.000 0.495 90 L N 0.864 122.149 121.223 0.103 0.000 2.580 90 L HA 0.234 4.271 4.340 -0.505 0.000 0.266 90 L C -0.705 176.201 176.870 0.059 0.000 0.955 90 L CA -0.580 54.283 54.840 0.039 0.000 0.886 90 L CB 1.358 43.469 42.059 0.087 0.000 1.263 90 L HN 0.172 nan 8.230 nan 0.000 0.406 91 E N 1.525 121.736 120.200 0.019 0.000 2.374 91 E HA 0.125 4.172 4.350 -0.505 0.000 0.260 91 E C 0.321 176.964 176.600 0.073 0.000 1.101 91 E CA -0.054 56.360 56.400 0.023 0.000 0.907 91 E CB 0.662 30.356 29.700 -0.010 0.000 1.014 91 E HN 0.702 nan 8.360 nan 0.000 0.427 92 N N 1.034 119.760 118.700 0.044 0.000 2.381 92 N HA -0.167 4.270 4.740 -0.505 0.000 0.182 92 N C 0.921 176.464 175.510 0.054 0.000 1.025 92 N CA 1.273 54.350 53.050 0.044 0.000 0.888 92 N CB 0.073 38.528 38.487 -0.053 0.000 0.965 92 N HN 0.330 nan 8.380 nan 0.000 0.438 93 S N -0.973 114.732 115.700 0.008 0.000 2.489 93 S HA -0.035 4.133 4.470 -0.505 0.000 0.228 93 S C 1.539 176.100 174.600 -0.065 0.000 0.995 93 S CA 0.989 59.171 58.200 -0.030 0.000 0.934 93 S CB -0.401 62.774 63.200 -0.042 0.000 0.771 93 S HN 0.504 nan 8.310 nan 0.000 0.522 94 T N 1.702 116.206 114.554 -0.082 0.000 2.867 94 T HA 0.017 4.064 4.350 -0.505 0.000 0.268 94 T C 1.259 175.715 174.700 -0.406 0.000 1.057 94 T CA 0.941 62.892 62.100 -0.248 0.000 1.136 94 T CB -0.409 68.271 68.868 -0.314 0.000 0.874 94 T HN 0.351 nan 8.240 nan 0.000 0.466 95 F N 1.970 121.702 119.950 -0.364 0.000 2.186 95 F HA -0.026 4.198 4.527 -0.505 0.000 0.299 95 F C 2.200 177.757 175.800 -0.405 0.000 1.090 95 F CA 0.855 58.589 58.000 -0.443 0.000 1.307 95 F CB -0.287 38.520 39.000 -0.322 0.000 1.019 95 F HN 0.095 nan 8.300 nan 0.000 0.489 96 D N -0.084 120.253 120.400 -0.106 0.000 2.277 96 D HA -0.130 4.207 4.640 -0.505 0.000 0.208 96 D C 1.999 178.181 176.300 -0.197 0.000 0.962 96 D CA 1.075 54.990 54.000 -0.140 0.000 0.865 96 D CB -0.411 40.334 40.800 -0.092 0.000 0.939 96 D HN 0.552 nan 8.370 nan 0.000 0.510 97 E N 0.871 120.937 120.200 -0.223 0.000 2.371 97 E HA -0.052 3.995 4.350 -0.505 0.000 0.194 97 E C 1.915 178.344 176.600 -0.285 0.000 1.012 97 E CA 0.237 56.511 56.400 -0.210 0.000 0.860 97 E CB -0.338 29.264 29.700 -0.163 0.000 0.811 97 E HN 0.235 nan 8.360 nan 0.000 0.502 98 L N 0.093 121.043 121.223 -0.455 0.000 2.156 98 L HA 0.149 4.187 4.340 -0.505 0.000 0.208 98 L C 2.068 178.531 176.870 -0.678 0.000 1.095 98 L CA 1.018 55.458 54.840 -0.666 0.000 0.770 98 L CB -0.421 40.947 42.059 -1.152 0.000 0.914 98 L HN 0.505 nan 8.230 nan 0.000 0.439 99 G N -1.158 107.312 108.800 -0.550 0.000 2.397 99 G HA2 -0.285 3.373 3.960 -0.505 0.000 0.211 99 G HA3 -0.285 3.373 3.960 -0.505 0.000 0.211 99 G C 0.236 174.975 174.900 -0.269 0.000 1.077 99 G CA 0.067 44.968 45.100 -0.331 0.000 0.649 99 G HN 0.339 nan 8.290 nan 0.000 0.511 100 Y N 1.996 122.166 120.300 -0.217 0.000 2.392 100 Y HA 0.758 5.006 4.550 -0.504 0.000 0.323 100 Y C 0.568 176.396 175.900 -0.120 0.000 1.291 100 Y CA -1.195 56.794 58.100 -0.186 0.000 1.345 100 Y CB 0.575 38.822 38.460 -0.357 0.000 1.320 100 Y HN 0.442 nan 8.280 nan 0.000 0.518 101 S N -0.015 115.816 115.700 0.219 0.000 2.438 101 S HA 0.450 4.617 4.470 -0.505 0.000 0.293 101 S C -0.540 174.225 174.600 0.275 0.000 1.141 101 S CA -0.843 57.457 58.200 0.167 0.000 1.080 101 S CB 0.524 63.776 63.200 0.085 0.000 0.978 101 S HN 0.659 nan 8.310 nan 0.000 0.479 102 T N 3.672 118.403 114.554 0.295 0.000 2.806 102 T HA 0.289 4.336 4.350 -0.505 0.000 0.290 102 T C 1.323 176.165 174.700 0.237 0.000 0.966 102 T CA -0.893 61.420 62.100 0.356 0.000 1.060 102 T CB 0.565 69.732 68.868 0.497 0.000 0.927 102 T HN 0.824 nan 8.240 nan 0.000 0.485 103 N N 1.583 120.395 118.700 0.187 0.000 2.322 103 N HA 0.053 4.490 4.740 -0.505 0.000 0.181 103 N C -0.406 175.167 175.510 0.105 0.000 1.088 103 N CA -0.014 53.078 53.050 0.070 0.000 0.885 103 N CB 0.657 39.100 38.487 -0.073 0.000 1.013 103 N HN 0.477 nan 8.380 nan 0.000 0.472 104 D N -0.385 120.154 120.400 0.232 0.000 2.654 104 D HA 0.304 4.641 4.640 -0.505 0.000 0.231 104 D C -1.704 174.869 176.300 0.454 0.000 1.239 104 D CA -0.606 53.545 54.000 0.251 0.000 0.790 104 D CB 1.574 42.462 40.800 0.147 0.000 1.480 104 D HN 0.144 nan 8.370 nan 0.000 0.442 105 Y N -0.724 119.786 120.300 0.350 0.000 2.545 105 Y HA 0.794 5.041 4.550 -0.504 0.000 0.348 105 Y C -1.035 175.032 175.900 0.278 0.000 1.002 105 Y CA -1.024 57.297 58.100 0.370 0.000 1.039 105 Y CB 1.991 40.722 38.460 0.451 0.000 1.271 105 Y HN 0.147 nan 8.280 nan 0.000 0.467 106 S N 2.225 118.161 115.700 0.394 0.000 2.720 106 S HA 0.587 4.754 4.470 -0.505 0.000 0.278 106 S C -1.693 173.210 174.600 0.504 0.000 1.172 106 S CA -0.607 57.815 58.200 0.370 0.000 1.019 106 S CB 0.650 64.040 63.200 0.317 0.000 1.049 106 S HN 0.696 nan 8.310 nan 0.000 0.483 107 V N 5.044 125.162 119.914 0.340 0.000 2.498 107 V HA 0.418 4.235 4.120 -0.505 0.000 0.279 107 V C 0.776 176.716 176.094 -0.257 0.000 1.048 107 V CA -0.650 61.731 62.300 0.134 0.000 0.967 107 V CB 1.341 33.233 31.823 0.116 0.000 0.988 107 V HN 0.996 nan 8.190 nan 0.000 0.473 108 S N 6.316 121.527 115.700 -0.815 0.000 2.560 108 S HA 0.141 4.309 4.470 -0.505 0.000 0.284 108 S C -1.281 173.033 174.600 -0.476 0.000 1.327 108 S CA -0.739 56.679 58.200 -1.303 0.000 1.055 108 S CB 0.630 62.905 63.200 -1.541 0.000 0.868 108 S HN 0.679 nan 8.310 nan 0.000 0.506 109 P HA -0.142 nan 4.420 nan 0.000 0.219 109 P C 0.676 177.921 177.300 -0.091 0.000 1.146 109 P CA 1.419 64.443 63.100 -0.128 0.000 0.808 109 P CB -0.214 31.440 31.700 -0.077 0.000 0.779 110 D N -0.930 119.408 120.400 -0.103 0.000 2.349 110 D HA -0.067 4.270 4.640 -0.505 0.000 0.224 110 D C 0.640 176.917 176.300 -0.038 0.000 1.029 110 D CA -0.132 53.845 54.000 -0.039 0.000 0.879 110 D CB -0.644 40.167 40.800 0.018 0.000 0.906 110 D HN 0.022 nan 8.370 nan 0.000 0.528 111 R N -1.075 119.388 120.500 -0.061 0.000 3.951 111 R HA -0.222 3.815 4.340 -0.505 0.000 0.352 111 R C 1.167 177.434 176.300 -0.055 0.000 1.178 111 R CA 1.207 57.325 56.100 0.030 0.000 0.949 111 R CB -2.381 27.999 30.300 0.133 0.000 1.452 111 R HN 0.320 nan 8.270 nan 0.000 0.540 112 Q N -0.894 118.788 119.800 -0.197 0.000 2.250 112 Q HA 0.121 4.158 4.340 -0.505 0.000 0.200 112 Q C -0.097 175.424 176.000 -0.799 0.000 0.941 112 Q CA 0.940 56.443 55.803 -0.501 0.000 0.872 112 Q CB 0.377 28.776 28.738 -0.565 0.000 0.965 112 Q HN 0.191 nan 8.270 nan 0.000 0.480 113 F N -0.700 119.116 119.950 -0.224 0.000 2.603 113 F HA 0.511 4.735 4.527 -0.505 0.000 0.317 113 F C -0.491 175.277 175.800 -0.054 0.000 1.066 113 F CA -1.165 56.757 58.000 -0.129 0.000 0.941 113 F CB 1.677 40.662 39.000 -0.025 0.000 1.291 113 F HN -0.199 nan 8.300 nan 0.000 0.472 114 I N 2.163 122.895 120.570 0.270 0.000 2.582 114 I HA 0.537 4.404 4.170 -0.505 0.000 0.292 114 I C -1.850 174.326 176.117 0.098 0.000 1.066 114 I CA -0.916 60.484 61.300 0.166 0.000 1.053 114 I CB 1.445 39.422 38.000 -0.038 0.000 1.241 114 I HN 0.457 nan 8.210 nan 0.000 0.421 115 L N 7.821 129.193 121.223 0.248 0.000 2.292 115 L HA 0.495 4.532 4.340 -0.505 0.000 0.284 115 L C -1.226 175.684 176.870 0.067 0.000 1.065 115 L CA 0.340 55.265 54.840 0.142 0.000 0.806 115 L CB 0.891 43.029 42.059 0.132 0.000 1.175 115 L HN 0.411 nan 8.230 nan 0.000 0.431 116 F N 2.916 123.075 119.950 0.348 0.000 2.444 116 F HA 0.377 4.601 4.527 -0.505 0.000 0.342 116 F C 0.371 176.363 175.800 0.320 0.000 1.121 116 F CA -0.722 57.479 58.000 0.334 0.000 0.997 116 F CB 1.504 40.675 39.000 0.285 0.000 1.130 116 F HN 0.421 nan 8.300 nan 0.000 0.454 117 E N 4.815 125.296 120.200 0.468 0.000 2.134 117 E HA 0.316 4.364 4.350 -0.505 0.000 0.278 117 E C -1.559 175.094 176.600 0.088 0.000 0.959 117 E CA -0.547 55.913 56.400 0.100 0.000 0.783 117 E CB 0.970 30.794 29.700 0.206 0.000 1.095 117 E HN 0.572 nan 8.360 nan 0.000 0.399 118 Y N 1.782 121.891 120.300 -0.319 0.000 2.677 118 Y HA 0.459 4.706 4.550 -0.504 0.000 0.334 118 Y C -0.023 175.722 175.900 -0.258 0.000 1.154 118 Y CA -1.547 56.385 58.100 -0.281 0.000 1.070 118 Y CB 0.697 38.814 38.460 -0.572 0.000 1.294 118 Y HN 0.668 nan 8.280 nan 0.000 0.475 119 N N -0.739 117.906 118.700 -0.093 0.000 2.776 119 N HA -0.303 4.135 4.740 -0.505 0.000 0.249 119 N C -1.247 174.215 175.510 -0.081 0.000 1.111 119 N CA 0.719 53.693 53.050 -0.128 0.000 0.711 119 N CB -1.350 36.931 38.487 -0.344 0.000 1.065 119 N HN 0.788 nan 8.380 nan 0.000 0.556 120 Y N 0.413 120.634 120.300 -0.132 0.000 2.770 120 Y HA 0.244 4.491 4.550 -0.505 0.000 0.342 120 Y C -0.265 175.600 175.900 -0.057 0.000 1.221 120 Y CA 0.144 58.177 58.100 -0.112 0.000 1.560 120 Y CB 0.345 38.700 38.460 -0.174 0.000 1.213 120 Y HN -0.042 nan 8.280 nan 0.000 0.525 121 V N 8.029 127.701 119.914 -0.403 0.000 2.409 121 V HA 0.231 4.048 4.120 -0.505 0.000 0.291 121 V C -0.004 175.775 176.094 -0.525 0.000 1.020 121 V CA -1.424 60.665 62.300 -0.352 0.000 0.848 121 V CB 1.353 33.068 31.823 -0.179 0.000 0.990 121 V HN 0.652 nan 8.190 nan 0.000 0.430 122 K N 3.121 123.237 120.400 -0.473 0.000 2.355 122 K HA 0.214 4.231 4.320 -0.505 0.000 0.270 122 K C 0.340 176.774 176.600 -0.277 0.000 1.003 122 K CA 0.155 56.241 56.287 -0.336 0.000 0.957 122 K CB 1.095 33.545 32.500 -0.084 0.000 0.939 122 K HN 0.831 nan 8.250 nan 0.000 0.482 123 Q N 2.285 121.893 119.800 -0.321 0.000 2.362 123 Q HA 0.168 4.205 4.340 -0.505 0.000 0.190 123 Q C -0.052 175.743 176.000 -0.341 0.000 0.763 123 Q CA -0.334 55.095 55.803 -0.624 0.000 0.681 123 Q CB 0.202 28.347 28.738 -0.987 0.000 2.020 123 Q HN 0.683 nan 8.270 nan 0.000 0.483 124 W N 0.102 121.398 121.300 -0.008 0.000 1.941 124 W HA 0.415 4.770 4.660 -0.509 0.000 0.629 124 W C 1.746 178.255 176.519 -0.016 0.000 1.517 124 W CA -0.810 56.558 57.345 0.039 0.000 1.502 124 W CB -0.129 29.312 29.460 -0.032 0.000 3.266 124 W HN 0.247 nan 8.180 nan 0.000 0.765 125 R N -0.586 120.022 120.500 0.181 0.000 2.073 125 R HA -0.150 3.887 4.340 -0.505 0.000 0.234 125 R C 1.805 177.958 176.300 -0.244 0.000 1.134 125 R CA 1.839 57.880 56.100 -0.099 0.000 0.952 125 R CB -0.423 29.709 30.300 -0.281 0.000 0.850 125 R HN 0.507 nan 8.270 nan 0.000 0.433 126 H N -1.281 117.856 119.070 0.111 0.000 2.788 126 H HA 0.149 4.403 4.556 -0.503 0.000 0.262 126 H C 0.511 175.931 175.328 0.152 0.000 0.968 126 H CA 0.442 56.585 56.048 0.158 0.000 1.218 126 H CB 0.341 30.178 29.762 0.124 0.000 1.443 126 H HN 0.142 nan 8.280 nan 0.000 0.478 127 S N 1.533 117.220 115.700 -0.023 0.000 2.564 127 S HA 0.337 4.504 4.470 -0.505 0.000 0.278 127 S C -0.328 174.105 174.600 -0.278 0.000 1.333 127 S CA -0.511 57.340 58.200 -0.581 0.000 1.048 127 S CB 0.380 62.766 63.200 -1.357 0.000 0.900 127 S HN 0.428 nan 8.310 nan 0.000 0.505 128 Y N -1.845 118.280 120.300 -0.293 0.000 2.677 128 Y HA 0.702 4.948 4.550 -0.506 0.000 0.334 128 Y C -0.653 175.208 175.900 -0.066 0.000 1.196 128 Y CA -1.012 56.926 58.100 -0.270 0.000 1.059 128 Y CB 0.653 38.883 38.460 -0.383 0.000 1.315 128 Y HN 0.808 nan 8.280 nan 0.000 0.455 129 T N 0.080 114.656 114.554 0.036 0.000 2.888 129 T HA 0.978 5.025 4.350 -0.505 0.000 0.284 129 T C -0.469 174.297 174.700 0.111 0.000 1.017 129 T CA -0.040 62.112 62.100 0.086 0.000 1.022 129 T CB 1.570 70.451 68.868 0.022 0.000 1.013 129 T HN 1.648 nan 8.240 nan 0.000 0.465 130 A N 1.469 124.335 122.820 0.076 0.000 2.594 130 A HA 0.792 4.809 4.320 -0.505 0.000 0.291 130 A C -0.298 177.007 177.584 -0.464 0.000 1.105 130 A CA -0.943 50.961 52.037 -0.222 0.000 0.694 130 A CB 1.499 20.321 19.000 -0.297 0.000 1.291 130 A HN 0.824 nan 8.150 nan 0.000 0.410 131 S N -0.580 114.621 115.700 -0.831 0.000 2.617 131 S HA 0.757 4.924 4.470 -0.505 0.000 0.283 131 S C -1.481 172.396 174.600 -1.205 0.000 1.189 131 S CA 0.022 57.656 58.200 -0.944 0.000 1.036 131 S CB 0.438 62.889 63.200 -1.249 0.000 1.014 131 S HN 0.427 nan 8.310 nan 0.000 0.522 132 Y N 0.347 120.419 120.300 -0.380 0.000 2.457 132 Y HA 0.419 4.666 4.550 -0.505 0.000 0.343 132 Y C -0.424 175.505 175.900 0.048 0.000 0.994 132 Y CA -0.981 57.042 58.100 -0.128 0.000 1.031 132 Y CB 1.719 40.061 38.460 -0.197 0.000 1.246 132 Y HN 0.474 nan 8.280 nan 0.000 0.449 133 D N 3.087 123.713 120.400 0.378 0.000 2.498 133 D HA 0.511 4.849 4.640 -0.505 0.000 0.247 133 D C -0.750 175.722 176.300 0.286 0.000 1.070 133 D CA -0.340 53.866 54.000 0.344 0.000 0.842 133 D CB 2.379 43.465 40.800 0.477 0.000 1.361 133 D HN 0.406 nan 8.370 nan 0.000 0.484 134 I N 1.500 122.188 120.570 0.196 0.000 2.385 134 I HA 0.285 4.152 4.170 -0.505 0.000 0.294 134 I C -0.696 175.603 176.117 0.305 0.000 0.988 134 I CA -0.927 60.492 61.300 0.198 0.000 1.265 134 I CB 0.977 39.032 38.000 0.091 0.000 1.388 134 I HN 0.212 nan 8.210 nan 0.000 0.480 135 Y N 5.093 125.481 120.300 0.147 0.000 2.326 135 Y HA 0.314 4.561 4.550 -0.505 0.000 0.331 135 Y C -0.245 175.743 175.900 0.146 0.000 0.962 135 Y CA -0.919 57.262 58.100 0.134 0.000 1.167 135 Y CB 0.963 39.482 38.460 0.098 0.000 1.148 135 Y HN 0.554 nan 8.280 nan 0.000 0.463 136 D N 5.179 125.420 120.400 -0.263 0.000 2.425 136 D HA 0.054 4.392 4.640 -0.505 0.000 0.247 136 D C 0.539 176.434 176.300 -0.676 0.000 1.147 136 D CA 0.578 54.327 54.000 -0.419 0.000 0.879 136 D CB 1.240 41.855 40.800 -0.308 0.000 1.179 136 D HN 0.871 nan 8.370 nan 0.000 0.456 137 L N 3.655 124.547 121.223 -0.552 0.000 2.477 137 L HA 0.018 4.056 4.340 -0.505 0.000 0.220 137 L C 2.108 178.749 176.870 -0.381 0.000 1.106 137 L CA -0.100 54.485 54.840 -0.426 0.000 0.851 137 L CB -0.074 41.761 42.059 -0.373 0.000 0.994 137 L HN 0.351 nan 8.230 nan 0.000 0.462 138 N N 1.313 119.770 118.700 -0.406 0.000 2.083 138 N HA -0.144 4.293 4.740 -0.505 0.000 0.190 138 N C 1.452 176.815 175.510 -0.245 0.000 1.047 138 N CA 1.374 54.245 53.050 -0.298 0.000 0.845 138 N CB -0.127 38.184 38.487 -0.293 0.000 1.025 138 N HN 0.402 nan 8.380 nan 0.000 0.428 139 K N 1.090 121.337 120.400 -0.256 0.000 2.487 139 K HA 0.179 4.196 4.320 -0.505 0.000 0.192 139 K C -0.073 176.392 176.600 -0.226 0.000 1.027 139 K CA -0.043 56.126 56.287 -0.198 0.000 1.054 139 K CB 0.340 32.746 32.500 -0.156 0.000 0.824 139 K HN 0.020 nan 8.250 nan 0.000 0.510 140 R N 1.333 121.629 120.500 -0.340 0.000 3.405 140 R HA -0.182 3.855 4.340 -0.505 0.000 0.258 140 R C -0.895 175.157 176.300 -0.413 0.000 1.030 140 R CA 0.847 56.708 56.100 -0.398 0.000 0.691 140 R CB -1.730 28.508 30.300 -0.104 0.000 1.093 140 R HN 0.566 nan 8.270 nan 0.000 0.448 141 Q N -0.203 119.267 119.800 -0.549 0.000 2.387 141 Q HA 0.511 4.548 4.340 -0.505 0.000 0.273 141 Q C -0.439 175.430 176.000 -0.219 0.000 1.089 141 Q CA -0.985 54.677 55.803 -0.235 0.000 0.824 141 Q CB 2.197 30.865 28.738 -0.117 0.000 1.367 141 Q HN 0.167 nan 8.270 nan 0.000 0.443 142 L N 1.620 122.923 121.223 0.134 0.000 2.436 142 L HA 0.280 4.317 4.340 -0.505 0.000 0.265 142 L C -0.868 176.077 176.870 0.124 0.000 1.168 142 L CA 0.004 54.994 54.840 0.250 0.000 0.815 142 L CB 0.611 42.828 42.059 0.264 0.000 1.109 142 L HN 0.543 nan 8.230 nan 0.000 0.462 143 I N 2.075 122.730 120.570 0.142 0.000 2.342 143 I HA 0.166 4.033 4.170 -0.505 0.000 0.291 143 I C 0.917 177.078 176.117 0.073 0.000 1.010 143 I CA 0.460 61.812 61.300 0.086 0.000 1.308 143 I CB 1.434 39.474 38.000 0.067 0.000 1.400 143 I HN 0.796 nan 8.210 nan 0.000 0.488 144 T N 1.028 115.610 114.554 0.047 0.000 2.955 144 T HA 0.158 4.205 4.350 -0.505 0.000 0.251 144 T C 0.390 175.098 174.700 0.013 0.000 1.002 144 T CA -0.373 61.749 62.100 0.037 0.000 0.970 144 T CB -0.116 68.773 68.868 0.036 0.000 1.091 144 T HN 0.571 nan 8.240 nan 0.000 0.495 145 E N 2.373 122.577 120.200 0.006 0.000 2.283 145 E HA 0.273 4.320 4.350 -0.505 0.000 0.278 145 E C -0.764 175.823 176.600 -0.022 0.000 1.027 145 E CA -0.674 55.722 56.400 -0.006 0.000 0.843 145 E CB 0.546 30.245 29.700 -0.001 0.000 1.062 145 E HN 0.055 nan 8.360 nan 0.000 0.401 146 E N 1.946 122.125 120.200 -0.037 0.000 2.240 146 E HA -0.196 3.851 4.350 -0.505 0.000 0.194 146 E C -0.543 176.003 176.600 -0.089 0.000 1.385 146 E CA 0.637 57.001 56.400 -0.060 0.000 0.686 146 E CB -0.849 28.826 29.700 -0.041 0.000 1.125 146 E HN 0.571 nan 8.360 nan 0.000 0.359 147 R N 0.002 120.440 120.500 -0.103 0.000 2.707 147 R HA 0.320 4.357 4.340 -0.505 0.000 0.270 147 R C 1.141 177.298 176.300 -0.238 0.000 1.083 147 R CA -0.561 55.464 56.100 -0.124 0.000 1.182 147 R CB 0.453 30.704 30.300 -0.081 0.000 1.084 147 R HN 0.164 nan 8.270 nan 0.000 0.528 148 I N 3.362 123.761 120.570 -0.285 0.000 2.533 148 I HA 0.036 3.903 4.170 -0.505 0.000 0.284 148 I C -1.729 174.116 176.117 -0.453 0.000 1.109 148 I CA -1.547 59.446 61.300 -0.513 0.000 1.412 148 I CB 0.365 38.066 38.000 -0.498 0.000 1.396 148 I HN 0.205 nan 8.210 nan 0.000 0.543 149 P HA -0.011 nan 4.420 nan 0.000 0.269 149 P C -0.528 176.563 177.300 -0.348 0.000 1.217 149 P CA -0.239 62.477 63.100 -0.640 0.000 0.783 149 P CB 0.385 31.276 31.700 -1.349 0.000 0.898 150 N N 2.456 121.036 118.700 -0.200 0.000 2.441 150 N HA -0.021 4.417 4.740 -0.505 0.000 0.251 150 N C 0.147 175.755 175.510 0.163 0.000 1.242 150 N CA 0.499 53.524 53.050 -0.041 0.000 0.898 150 N CB -0.426 38.063 38.487 0.002 0.000 1.100 150 N HN 0.351 nan 8.380 nan 0.000 0.443 151 N N -0.270 118.490 118.700 0.101 0.000 2.754 151 N HA -0.183 4.254 4.740 -0.505 0.000 0.248 151 N C -0.995 174.691 175.510 0.293 0.000 1.093 151 N CA 0.669 53.815 53.050 0.159 0.000 0.699 151 N CB -1.989 36.589 38.487 0.151 0.000 1.016 151 N HN 0.496 nan 8.380 nan 0.000 0.552 152 T N 0.885 115.610 114.554 0.284 0.000 2.834 152 T HA 0.073 4.120 4.350 -0.505 0.000 0.298 152 T C 1.727 176.611 174.700 0.307 0.000 0.966 152 T CA 0.138 62.447 62.100 0.349 0.000 1.141 152 T CB 1.206 70.219 68.868 0.241 0.000 0.905 152 T HN 0.185 nan 8.240 nan 0.000 0.535 153 Q N 2.312 122.289 119.800 0.296 0.000 2.062 153 Q HA 0.099 4.136 4.340 -0.505 0.000 0.196 153 Q C 0.365 176.562 176.000 0.328 0.000 0.967 153 Q CA 0.757 56.748 55.803 0.313 0.000 0.832 153 Q CB 0.512 29.414 28.738 0.273 0.000 0.899 153 Q HN 0.696 nan 8.270 nan 0.000 0.442 154 W N -0.178 121.118 121.300 -0.006 0.000 3.217 154 W HA 0.631 4.988 4.660 -0.505 0.000 0.323 154 W C -2.067 174.397 176.519 -0.093 0.000 1.216 154 W CA -0.833 56.459 57.345 -0.089 0.000 1.194 154 W CB 1.497 30.842 29.460 -0.192 0.000 1.397 154 W HN -0.045 nan 8.180 nan 0.000 0.537 155 I N 3.566 123.477 120.570 -1.097 0.000 2.827 155 I HA 0.560 4.427 4.170 -0.505 0.000 0.298 155 I C -1.423 174.100 176.117 -0.991 0.000 1.235 155 I CA -0.055 60.727 61.300 -0.863 0.000 1.021 155 I CB 2.584 39.988 38.000 -0.993 0.000 1.259 155 I HN 0.320 nan 8.210 nan 0.000 0.427 156 T N 4.656 118.937 114.554 -0.455 0.000 2.982 156 T HA 0.420 4.467 4.350 -0.505 0.000 0.321 156 T C -1.648 173.030 174.700 -0.036 0.000 1.229 156 T CA -0.294 61.708 62.100 -0.164 0.000 1.044 156 T CB 0.564 69.567 68.868 0.226 0.000 1.184 156 T HN 0.525 nan 8.240 nan 0.000 0.477 157 W N 3.138 124.455 121.300 0.029 0.000 2.126 157 W HA 0.448 4.806 4.660 -0.504 0.000 0.346 157 W C 1.266 177.652 176.519 -0.220 0.000 1.279 157 W CA -0.600 56.711 57.345 -0.057 0.000 1.259 157 W CB 0.676 30.111 29.460 -0.040 0.000 1.133 157 W HN 0.810 nan 8.180 nan 0.000 0.592 158 S N 1.487 116.972 115.700 -0.357 0.000 2.589 158 S HA 0.132 4.300 4.470 -0.505 0.000 0.265 158 S C -1.865 172.565 174.600 -0.284 0.000 1.342 158 S CA -0.974 56.647 58.200 -0.965 0.000 1.005 158 S CB 0.828 63.231 63.200 -1.327 0.000 0.909 158 S HN 0.288 nan 8.310 nan 0.000 0.555 159 P HA 0.075 nan 4.420 nan 0.000 0.225 159 P C 0.244 177.508 177.300 -0.060 0.000 1.156 159 P CA 0.521 63.604 63.100 -0.027 0.000 0.787 159 P CB -0.172 31.544 31.700 0.027 0.000 0.802 160 V N -6.313 113.518 119.914 -0.138 0.000 3.001 160 V HA 0.895 4.712 4.120 -0.505 0.000 0.314 160 V C 0.585 176.568 176.094 -0.184 0.000 1.099 160 V CA -0.327 61.898 62.300 -0.124 0.000 0.989 160 V CB 0.953 32.718 31.823 -0.097 0.000 1.040 160 V HN 0.388 nan 8.190 nan 0.000 0.434 161 G N 1.991 110.700 108.800 -0.151 0.000 2.550 161 G HA2 -0.200 3.457 3.960 -0.505 0.000 0.277 161 G HA3 -0.200 3.457 3.960 -0.505 0.000 0.277 161 G C 0.244 175.052 174.900 -0.154 0.000 1.190 161 G CA 0.828 45.807 45.100 -0.201 0.000 0.971 161 G HN 2.544 nan 8.290 nan 0.000 0.559 162 H N -0.635 118.403 119.070 -0.053 0.000 3.064 162 H HA 0.429 4.682 4.556 -0.505 0.000 0.232 162 H C 0.118 175.575 175.328 0.215 0.000 1.308 162 H CA -0.235 55.830 56.048 0.029 0.000 1.010 162 H CB -0.256 29.564 29.762 0.097 0.000 2.408 162 H HN 0.489 nan 8.280 nan 0.000 0.599 163 K N 1.716 122.116 120.400 -0.000 0.000 2.237 163 K HA 0.437 4.454 4.320 -0.505 0.000 0.270 163 K C -0.427 176.221 176.600 0.080 0.000 1.015 163 K CA -0.413 55.847 56.287 -0.045 0.000 0.949 163 K CB 1.780 34.050 32.500 -0.384 0.000 0.976 163 K HN 0.189 nan 8.250 nan 0.000 0.472 164 L N 1.751 123.040 121.223 0.110 0.000 2.365 164 L HA 0.524 4.561 4.340 -0.505 0.000 0.273 164 L C -0.745 176.300 176.870 0.292 0.000 1.000 164 L CA -0.730 54.138 54.840 0.046 0.000 0.819 164 L CB 2.010 43.936 42.059 -0.222 0.000 1.284 164 L HN 0.689 nan 8.230 nan 0.000 0.418 165 A N 3.119 126.151 122.820 0.353 0.000 2.355 165 A HA 0.825 4.843 4.320 -0.505 0.000 0.317 165 A C -1.521 176.124 177.584 0.102 0.000 1.094 165 A CA -0.373 51.776 52.037 0.187 0.000 0.764 165 A CB 1.170 20.204 19.000 0.057 0.000 1.230 165 A HN 0.661 nan 8.150 nan 0.000 0.448 166 Y N -0.595 119.676 120.300 -0.047 0.000 2.625 166 Y HA 0.747 4.993 4.550 -0.505 0.000 0.338 166 Y C -1.313 174.617 175.900 0.048 0.000 1.123 166 Y CA -1.550 56.510 58.100 -0.067 0.000 1.046 166 Y CB 1.119 39.477 38.460 -0.170 0.000 1.299 166 Y HN 0.398 nan 8.280 nan 0.000 0.464 167 V N 2.165 122.231 119.914 0.252 0.000 2.417 167 V HA 0.343 4.160 4.120 -0.505 0.000 0.291 167 V C -1.441 174.903 176.094 0.418 0.000 1.024 167 V CA -0.569 61.852 62.300 0.202 0.000 0.861 167 V CB 1.146 33.013 31.823 0.073 0.000 0.985 167 V HN 0.858 nan 8.190 nan 0.000 0.436 168 W N 5.211 126.647 121.300 0.227 0.000 2.900 168 W HA 0.464 4.823 4.660 -0.503 0.000 0.336 168 W C 0.329 176.939 176.519 0.153 0.000 1.064 168 W CA -0.683 56.784 57.345 0.202 0.000 1.237 168 W CB 1.174 30.757 29.460 0.204 0.000 1.391 168 W HN 0.770 nan 8.180 nan 0.000 0.468 169 N N 5.712 124.069 118.700 -0.572 0.000 2.725 169 N HA -0.349 4.088 4.740 -0.505 0.000 0.251 169 N C 0.105 175.449 175.510 -0.276 0.000 1.031 169 N CA 1.290 53.989 53.050 -0.584 0.000 0.720 169 N CB -1.086 36.791 38.487 -1.017 0.000 0.930 169 N HN 0.935 nan 8.380 nan 0.000 0.543 170 N N -1.428 117.180 118.700 -0.153 0.000 2.828 170 N HA -0.165 4.272 4.740 -0.505 0.000 0.248 170 N C -1.359 174.066 175.510 -0.141 0.000 1.044 170 N CA 1.076 54.051 53.050 -0.125 0.000 0.851 170 N CB -0.249 38.107 38.487 -0.218 0.000 1.136 170 N HN 0.429 nan 8.380 nan 0.000 0.572 171 D N 0.295 120.615 120.400 -0.133 0.000 2.433 171 D HA 0.461 4.798 4.640 -0.505 0.000 0.236 171 D C 0.041 176.134 176.300 -0.344 0.000 1.026 171 D CA -0.407 53.419 54.000 -0.290 0.000 0.884 171 D CB 1.683 42.263 40.800 -0.366 0.000 1.384 171 D HN 0.008 nan 8.370 nan 0.000 0.477 172 I N 1.352 121.558 120.570 -0.607 0.000 2.440 172 I HA 0.223 4.090 4.170 -0.505 0.000 0.294 172 I C -0.710 174.889 176.117 -0.863 0.000 0.995 172 I CA -0.378 60.556 61.300 -0.611 0.000 1.306 172 I CB 0.562 38.151 38.000 -0.685 0.000 1.407 172 I HN 0.153 nan 8.210 nan 0.000 0.501 173 Y N 4.102 123.985 120.300 -0.696 0.000 2.406 173 Y HA 0.563 4.810 4.550 -0.505 0.000 0.340 173 Y C -0.460 175.096 175.900 -0.574 0.000 0.975 173 Y CA -0.908 56.737 58.100 -0.758 0.000 1.056 173 Y CB 2.026 39.734 38.460 -1.253 0.000 1.210 173 Y HN 0.118 nan 8.280 nan 0.000 0.448 174 V N 3.917 123.732 119.914 -0.166 0.000 2.448 174 V HA 0.430 4.247 4.120 -0.505 0.000 0.295 174 V C -0.644 175.493 176.094 0.073 0.000 1.025 174 V CA -1.272 61.027 62.300 -0.003 0.000 0.859 174 V CB 1.671 33.510 31.823 0.027 0.000 0.988 174 V HN 0.616 nan 8.190 nan 0.000 0.431 175 K N 3.398 123.875 120.400 0.127 0.000 2.293 175 K HA 0.415 4.432 4.320 -0.505 0.000 0.267 175 K C 0.665 177.327 176.600 0.103 0.000 1.010 175 K CA -0.257 56.091 56.287 0.101 0.000 0.875 175 K CB 1.365 33.911 32.500 0.078 0.000 1.106 175 K HN 0.606 nan 8.250 nan 0.000 0.450 176 N N 1.518 120.270 118.700 0.085 0.000 2.142 176 N HA -0.105 4.332 4.740 -0.505 0.000 0.186 176 N C -0.340 175.219 175.510 0.083 0.000 1.023 176 N CA 0.955 54.046 53.050 0.068 0.000 0.852 176 N CB 0.373 38.892 38.487 0.053 0.000 0.998 176 N HN 0.461 nan 8.380 nan 0.000 0.424 177 E N -0.707 119.541 120.200 0.080 0.000 2.248 177 E HA 0.179 4.226 4.350 -0.505 0.000 0.267 177 E C -2.023 174.547 176.600 -0.050 0.000 0.877 177 E CA -1.886 54.563 56.400 0.082 0.000 0.759 177 E CB 1.920 31.678 29.700 0.096 0.000 1.182 177 E HN -0.082 nan 8.360 nan 0.000 0.418 178 P HA -0.171 nan 4.420 nan 0.000 0.218 178 P C 0.918 178.124 177.300 -0.157 0.000 1.148 178 P CA 1.285 64.203 63.100 -0.305 0.000 0.822 178 P CB 0.250 31.496 31.700 -0.757 0.000 0.784 179 N N -1.413 117.227 118.700 -0.101 0.000 2.412 179 N HA -0.025 4.413 4.740 -0.505 0.000 0.184 179 N C 0.459 175.961 175.510 -0.014 0.000 1.101 179 N CA 0.315 53.347 53.050 -0.030 0.000 0.881 179 N CB -0.137 38.356 38.487 0.010 0.000 0.969 179 N HN 0.158 nan 8.380 nan 0.000 0.459 180 L N 1.139 122.355 121.223 -0.011 0.000 2.399 180 L HA 0.204 4.241 4.340 -0.505 0.000 0.265 180 L C 0.714 177.588 176.870 0.007 0.000 1.089 180 L CA -0.263 54.582 54.840 0.009 0.000 0.802 180 L CB 1.664 43.739 42.059 0.026 0.000 1.180 180 L HN 0.092 nan 8.230 nan 0.000 0.454 181 S N 1.051 116.761 115.700 0.016 0.000 2.572 181 S HA 0.079 4.246 4.470 -0.505 0.000 0.279 181 S C 0.170 174.794 174.600 0.039 0.000 1.341 181 S CA -0.473 57.739 58.200 0.019 0.000 1.043 181 S CB 0.582 63.797 63.200 0.026 0.000 0.887 181 S HN 0.667 nan 8.310 nan 0.000 0.516 182 S N 3.201 118.931 115.700 0.050 0.000 2.586 182 S HA 0.456 4.624 4.470 -0.505 0.000 0.274 182 S C -0.652 174.008 174.600 0.101 0.000 1.281 182 S CA -0.640 57.615 58.200 0.091 0.000 1.035 182 S CB 1.198 64.477 63.200 0.131 0.000 0.962 182 S HN 0.733 nan 8.310 nan 0.000 0.512 183 Q N 1.536 121.377 119.800 0.068 0.000 2.314 183 Q HA 0.395 4.432 4.340 -0.505 0.000 0.259 183 Q C -0.391 175.534 176.000 -0.125 0.000 0.951 183 Q CA -0.243 55.567 55.803 0.012 0.000 0.909 183 Q CB 1.250 29.990 28.738 0.003 0.000 1.236 183 Q HN 0.753 nan 8.270 nan 0.000 0.444 184 R N 3.780 124.134 120.500 -0.243 0.000 2.442 184 R HA 0.110 4.147 4.340 -0.505 0.000 0.291 184 R C 0.335 176.168 176.300 -0.778 0.000 1.069 184 R CA 0.040 55.678 56.100 -0.770 0.000 1.022 184 R CB 0.418 30.152 30.300 -0.944 0.000 0.976 184 R HN 0.695 nan 8.270 nan 0.000 0.443 185 I N 1.883 121.928 120.570 -0.875 0.000 2.927 185 I HA -0.001 3.867 4.170 -0.505 0.000 0.268 185 I C 0.972 176.639 176.117 -0.751 0.000 1.153 185 I CA 0.894 61.805 61.300 -0.647 0.000 1.459 185 I CB -0.453 37.198 38.000 -0.582 0.000 1.149 185 I HN 0.630 nan 8.210 nan 0.000 0.443 186 T N -3.629 110.333 114.554 -0.986 0.000 2.906 186 T HA 0.428 4.475 4.350 -0.505 0.000 0.295 186 T C -0.734 173.426 174.700 -0.900 0.000 1.061 186 T CA -0.534 61.089 62.100 -0.794 0.000 1.000 186 T CB 1.757 70.269 68.868 -0.594 0.000 1.103 186 T HN 0.183 nan 8.240 nan 0.000 0.486 187 W N 0.370 121.554 121.300 -0.193 0.000 2.684 187 W HA 0.249 4.606 4.660 -0.505 0.000 0.381 187 W C 1.726 178.183 176.519 -0.103 0.000 0.975 187 W CA -0.175 57.091 57.345 -0.132 0.000 1.789 187 W CB 0.299 29.700 29.460 -0.099 0.000 1.161 187 W HN 0.917 nan 8.180 nan 0.000 0.564 188 T N -3.142 111.427 114.554 0.025 0.000 3.014 188 T HA 0.245 4.292 4.350 -0.505 0.000 0.250 188 T C 1.379 176.057 174.700 -0.036 0.000 1.060 188 T CA 0.226 62.336 62.100 0.016 0.000 1.040 188 T CB -0.239 68.641 68.868 0.020 0.000 0.971 188 T HN 0.015 nan 8.240 nan 0.000 0.497 189 G N 1.733 110.478 108.800 -0.092 0.000 2.097 189 G HA2 0.269 3.926 3.960 -0.505 0.000 0.256 189 G HA3 0.269 3.926 3.960 -0.505 0.000 0.256 189 G C -0.519 174.303 174.900 -0.130 0.000 1.082 189 G CA -0.112 44.909 45.100 -0.132 0.000 0.956 189 G HN 0.583 nan 8.290 nan 0.000 0.420 190 K N 2.263 122.563 120.400 -0.166 0.000 2.581 190 K HA 0.207 4.224 4.320 -0.505 0.000 0.249 190 K C -0.070 176.395 176.600 -0.225 0.000 0.966 190 K CA -0.710 55.486 56.287 -0.151 0.000 0.811 190 K CB 1.637 34.084 32.500 -0.087 0.000 1.223 190 K HN 0.570 nan 8.250 nan 0.000 0.438 191 E N 3.125 123.212 120.200 -0.188 0.000 2.652 191 E HA -0.171 3.877 4.350 -0.505 0.000 0.255 191 E C -0.385 176.140 176.600 -0.124 0.000 0.952 191 E CA 1.140 57.437 56.400 -0.173 0.000 0.947 191 E CB 0.041 29.677 29.700 -0.106 0.000 0.912 191 E HN 0.805 nan 8.360 nan 0.000 0.489 192 N N 1.491 120.127 118.700 -0.106 0.000 2.863 192 N HA -0.268 4.170 4.740 -0.505 0.000 0.245 192 N C 0.187 175.751 175.510 0.090 0.000 1.001 192 N CA 0.536 53.637 53.050 0.084 0.000 0.901 192 N CB -0.436 38.106 38.487 0.092 0.000 1.124 192 N HN 0.262 nan 8.380 nan 0.000 0.582 193 V N -0.810 119.071 119.914 -0.055 0.000 3.278 193 V HA 0.288 4.105 4.120 -0.505 0.000 0.215 193 V C 0.240 176.368 176.094 0.057 0.000 1.287 193 V CA 0.435 62.756 62.300 0.035 0.000 1.302 193 V CB 0.688 32.514 31.823 0.005 0.000 1.228 193 V HN 0.087 nan 8.190 nan 0.000 0.523 194 I N 0.885 121.392 120.570 -0.106 0.000 2.436 194 I HA 0.463 4.331 4.170 -0.505 0.000 0.289 194 I C -1.562 174.462 176.117 -0.155 0.000 1.010 194 I CA -0.530 60.767 61.300 -0.005 0.000 1.098 194 I CB 1.238 39.243 38.000 0.008 0.000 1.266 194 I HN 0.235 nan 8.210 nan 0.000 0.434 195 Y N 4.532 124.920 120.300 0.146 0.000 2.328 195 Y HA 0.403 4.650 4.550 -0.506 0.000 0.333 195 Y C 0.311 176.281 175.900 0.117 0.000 0.958 195 Y CA -0.791 57.398 58.100 0.149 0.000 1.167 195 Y CB 1.171 39.788 38.460 0.262 0.000 1.151 195 Y HN 0.412 nan 8.280 nan 0.000 0.470 196 N N 2.148 120.911 118.700 0.105 0.000 2.424 196 N HA 0.363 4.800 4.740 -0.505 0.000 0.271 196 N C 0.863 176.321 175.510 -0.088 0.000 0.985 196 N CA 0.407 53.447 53.050 -0.016 0.000 0.921 196 N CB 1.894 40.232 38.487 -0.247 0.000 1.149 196 N HN 0.976 nan 8.380 nan 0.000 0.492 197 G N 0.432 109.217 108.800 -0.024 0.000 2.205 197 G HA2 -0.278 3.379 3.960 -0.505 0.000 0.261 197 G HA3 -0.278 3.379 3.960 -0.505 0.000 0.261 197 G C 0.031 174.836 174.900 -0.157 0.000 0.980 197 G CA 0.790 45.816 45.100 -0.122 0.000 0.632 197 G HN 0.679 nan 8.290 nan 0.000 0.533 198 V N -1.881 118.000 119.914 -0.056 0.000 2.962 198 V HA 0.921 4.738 4.120 -0.505 0.000 0.313 198 V C 0.449 176.585 176.094 0.069 0.000 1.099 198 V CA -0.121 62.037 62.300 -0.237 0.000 0.971 198 V CB 1.423 32.858 31.823 -0.646 0.000 1.028 198 V HN 1.045 nan 8.190 nan 0.000 0.430 199 T N 0.312 114.807 114.554 -0.098 0.000 2.868 199 T HA 0.389 4.436 4.350 -0.505 0.000 0.292 199 T C -0.082 174.332 174.700 -0.475 0.000 1.028 199 T CA -0.154 61.713 62.100 -0.388 0.000 1.059 199 T CB 0.797 69.522 68.868 -0.238 0.000 0.991 199 T HN 1.088 nan 8.240 nan 0.000 0.531 200 D N 0.318 120.189 120.400 -0.882 0.000 2.451 200 D HA 0.010 4.347 4.640 -0.505 0.000 0.259 200 D C 0.950 177.106 176.300 -0.239 0.000 1.201 200 D CA -1.093 52.416 54.000 -0.819 0.000 1.028 200 D CB 0.254 40.629 40.800 -0.707 0.000 1.095 200 D HN 0.710 nan 8.370 nan 0.000 0.539 201 W N 0.487 121.670 121.300 -0.195 0.000 2.317 201 W HA -0.247 4.114 4.660 -0.497 0.000 0.318 201 W C 2.184 178.557 176.519 -0.243 0.000 1.227 201 W CA 2.365 59.598 57.345 -0.187 0.000 1.269 201 W CB -0.473 28.811 29.460 -0.293 0.000 1.155 201 W HN 0.206 nan 8.180 nan 0.000 0.484 202 V N -0.301 119.642 119.914 0.048 0.000 2.515 202 V HA -0.286 3.532 4.120 -0.505 0.000 0.250 202 V C 1.792 177.658 176.094 -0.380 0.000 1.058 202 V CA 1.916 64.133 62.300 -0.139 0.000 1.064 202 V CB -0.694 31.040 31.823 -0.149 0.000 0.675 202 V HN 0.295 nan 8.190 nan 0.000 0.461 203 Y N 0.309 120.324 120.300 -0.476 0.000 2.314 203 Y HA -0.118 4.129 4.550 -0.505 0.000 0.293 203 Y C 2.561 178.182 175.900 -0.465 0.000 1.129 203 Y CA 1.917 59.647 58.100 -0.617 0.000 1.201 203 Y CB 0.050 37.895 38.460 -1.027 0.000 0.999 203 Y HN 0.336 nan 8.280 nan 0.000 0.541 204 E N 0.263 120.322 120.200 -0.235 0.000 2.028 204 E HA -0.269 3.778 4.350 -0.505 0.000 0.191 204 E C 1.971 178.458 176.600 -0.189 0.000 0.988 204 E CA 1.457 57.778 56.400 -0.133 0.000 0.799 204 E CB 0.061 29.720 29.700 -0.070 0.000 0.755 204 E HN 0.363 nan 8.360 nan 0.000 0.447 205 E N 0.260 120.188 120.200 -0.454 0.000 2.046 205 E HA -0.153 3.894 4.350 -0.505 0.000 0.190 205 E C 1.664 178.129 176.600 -0.226 0.000 0.982 205 E CA 1.506 57.644 56.400 -0.437 0.000 0.800 205 E CB 0.182 29.307 29.700 -0.959 0.000 0.756 205 E HN 0.207 nan 8.360 nan 0.000 0.449 206 E N -0.928 119.117 120.200 -0.259 0.000 2.372 206 E HA 0.098 4.145 4.350 -0.505 0.000 0.201 206 E C 1.875 178.370 176.600 -0.175 0.000 0.938 206 E CA 0.450 56.753 56.400 -0.161 0.000 0.944 206 E CB 0.754 30.346 29.700 -0.179 0.000 0.937 206 E HN 0.185 nan 8.360 nan 0.000 0.495 207 V N 0.224 119.977 119.914 -0.268 0.000 2.602 207 V HA 0.021 3.838 4.120 -0.505 0.000 0.235 207 V C 1.718 177.887 176.094 0.124 0.000 1.087 207 V CA 0.727 62.897 62.300 -0.216 0.000 1.117 207 V CB -0.278 31.194 31.823 -0.585 0.000 0.820 207 V HN 0.033 nan 8.190 nan 0.000 0.490 208 F N 0.447 120.393 119.950 -0.006 0.000 2.569 208 F HA 0.291 4.515 4.527 -0.504 0.000 0.295 208 F C 1.903 177.661 175.800 -0.070 0.000 1.115 208 F CA 0.414 58.429 58.000 0.025 0.000 1.450 208 F CB -0.712 38.335 39.000 0.079 0.000 1.107 208 F HN 0.216 nan 8.300 nan 0.000 0.563 209 S N -0.253 115.475 115.700 0.046 0.000 3.533 209 S HA -0.044 4.123 4.470 -0.505 0.000 0.347 209 S C 0.019 174.282 174.600 -0.561 0.000 1.101 209 S CA 0.451 58.542 58.200 -0.181 0.000 1.009 209 S CB -1.378 61.763 63.200 -0.099 0.000 0.916 209 S HN 0.698 nan 8.310 nan 0.000 0.496 210 A N -0.611 122.046 122.820 -0.272 0.000 2.601 210 A HA 0.670 4.687 4.320 -0.505 0.000 0.291 210 A C -0.379 177.211 177.584 0.011 0.000 1.075 210 A CA -0.189 51.712 52.037 -0.226 0.000 0.671 210 A CB 0.130 19.015 19.000 -0.192 0.000 1.277 210 A HN 0.480 nan 8.150 nan 0.000 0.417 211 Y N 1.440 121.621 120.300 -0.197 0.000 2.397 211 Y HA 0.158 4.406 4.550 -0.502 0.000 0.292 211 Y C 1.614 177.310 175.900 -0.341 0.000 1.115 211 Y CA 0.901 58.891 58.100 -0.184 0.000 1.208 211 Y CB 0.036 38.425 38.460 -0.119 0.000 1.046 211 Y HN 0.774 nan 8.280 nan 0.000 0.552 212 S N 0.618 115.864 115.700 -0.756 0.000 2.548 212 S HA 0.539 4.706 4.470 -0.505 0.000 0.277 212 S C 0.214 174.422 174.600 -0.653 0.000 1.315 212 S CA -0.115 57.414 58.200 -1.120 0.000 1.050 212 S CB 1.378 63.330 63.200 -2.080 0.000 0.918 212 S HN 0.390 nan 8.310 nan 0.000 0.497 213 A N 4.238 126.703 122.820 -0.591 0.000 2.956 213 A HA 0.575 4.593 4.320 -0.505 0.000 0.294 213 A C -0.405 176.562 177.584 -1.028 0.000 0.993 213 A CA -0.585 51.096 52.037 -0.594 0.000 1.032 213 A CB -0.196 18.945 19.000 0.235 0.000 1.129 213 A HN 0.810 nan 8.150 nan 0.000 0.505 214 L N 0.458 120.908 121.223 -1.288 0.000 2.386 214 L HA 0.613 4.650 4.340 -0.505 0.000 0.271 214 L C -1.225 175.124 176.870 -0.868 0.000 0.993 214 L CA -0.548 53.823 54.840 -0.781 0.000 0.819 214 L CB 1.975 43.834 42.059 -0.333 0.000 1.294 214 L HN 0.473 nan 8.230 nan 0.000 0.414 215 W N 2.554 123.926 121.300 0.119 0.000 2.728 215 W HA 0.213 4.570 4.660 -0.505 0.000 0.324 215 W C -1.042 175.686 176.519 0.349 0.000 1.012 215 W CA -1.107 56.419 57.345 0.302 0.000 1.279 215 W CB 1.127 30.826 29.460 0.398 0.000 1.289 215 W HN 0.481 nan 8.180 nan 0.000 0.418 216 W N 2.530 124.025 121.300 0.325 0.000 2.158 216 W HA 0.189 4.546 4.660 -0.505 0.000 0.339 216 W C 1.332 177.625 176.519 -0.377 0.000 1.294 216 W CA 0.480 57.863 57.345 0.063 0.000 1.231 216 W CB 0.835 30.321 29.460 0.044 0.000 1.143 216 W HN 0.185 nan 8.180 nan 0.000 0.571 217 S N 2.924 118.333 115.700 -0.484 0.000 2.592 217 S HA 0.199 4.366 4.470 -0.505 0.000 0.271 217 S C -1.772 172.591 174.600 -0.394 0.000 1.326 217 S CA -1.121 56.342 58.200 -1.228 0.000 1.024 217 S CB 1.303 63.839 63.200 -1.106 0.000 0.921 217 S HN 0.272 nan 8.310 nan 0.000 0.527 218 P HA -0.159 nan 4.420 nan 0.000 0.217 218 P C 0.967 178.231 177.300 -0.059 0.000 1.158 218 P CA 1.337 64.404 63.100 -0.054 0.000 0.887 218 P CB -0.016 31.700 31.700 0.026 0.000 0.792 219 N N -1.995 116.657 118.700 -0.080 0.000 2.322 219 N HA 0.037 4.475 4.740 -0.505 0.000 0.194 219 N C 0.940 176.373 175.510 -0.128 0.000 1.126 219 N CA 0.850 53.849 53.050 -0.086 0.000 0.845 219 N CB -0.011 38.438 38.487 -0.063 0.000 0.976 219 N HN 0.082 nan 8.380 nan 0.000 0.475 220 G N 0.359 109.088 108.800 -0.118 0.000 2.153 220 G HA2 -0.300 3.357 3.960 -0.505 0.000 0.252 220 G HA3 -0.300 3.357 3.960 -0.505 0.000 0.252 220 G C 1.013 175.929 174.900 0.027 0.000 0.994 220 G CA 1.059 46.107 45.100 -0.086 0.000 0.698 220 G HN 0.360 nan 8.290 nan 0.000 0.521 221 T N -0.405 114.072 114.554 -0.130 0.000 2.770 221 T HA 0.225 4.272 4.350 -0.505 0.000 0.263 221 T C 0.736 175.185 174.700 -0.418 0.000 1.039 221 T CA 1.270 63.139 62.100 -0.384 0.000 1.142 221 T CB -0.008 68.431 68.868 -0.715 0.000 0.868 221 T HN 0.309 nan 8.240 nan 0.000 0.435 222 F N 0.396 120.388 119.950 0.069 0.000 2.508 222 F HA 0.629 4.853 4.527 -0.505 0.000 0.325 222 F C -0.377 175.445 175.800 0.037 0.000 1.090 222 F CA -1.785 56.274 58.000 0.098 0.000 0.945 222 F CB 1.333 40.457 39.000 0.207 0.000 1.156 222 F HN -0.119 nan 8.300 nan 0.000 0.463 223 L N 3.204 124.505 121.223 0.129 0.000 2.294 223 L HA 0.807 4.845 4.340 -0.505 0.000 0.283 223 L C -0.432 176.502 176.870 0.107 0.000 1.015 223 L CA -0.372 54.354 54.840 -0.190 0.000 0.831 223 L CB 0.585 42.242 42.059 -0.670 0.000 1.217 223 L HN 0.694 nan 8.230 nan 0.000 0.420 224 A N 4.928 127.916 122.820 0.280 0.000 2.310 224 A HA 0.721 4.738 4.320 -0.505 0.000 0.299 224 A C -1.303 176.424 177.584 0.238 0.000 1.147 224 A CA -0.241 51.893 52.037 0.162 0.000 0.818 224 A CB 0.485 19.658 19.000 0.287 0.000 1.096 224 A HN 0.860 nan 8.150 nan 0.000 0.495 225 Y N -1.311 118.881 120.300 -0.180 0.000 2.609 225 Y HA 0.733 4.980 4.550 -0.505 0.000 0.336 225 Y C -0.431 175.442 175.900 -0.046 0.000 1.129 225 Y CA -0.906 57.169 58.100 -0.042 0.000 1.040 225 Y CB 0.892 39.258 38.460 -0.156 0.000 1.310 225 Y HN 0.924 nan 8.280 nan 0.000 0.460 226 A N 2.684 125.650 122.820 0.243 0.000 2.324 226 A HA 0.600 4.617 4.320 -0.505 0.000 0.330 226 A C -1.078 176.427 177.584 -0.131 0.000 1.165 226 A CA -0.843 51.174 52.037 -0.035 0.000 0.813 226 A CB 1.516 20.467 19.000 -0.081 0.000 1.197 226 A HN 0.824 nan 8.150 nan 0.000 0.484 227 Q N 1.439 121.116 119.800 -0.205 0.000 2.307 227 Q HA 0.596 4.633 4.340 -0.505 0.000 0.262 227 Q C -1.958 173.819 176.000 -0.372 0.000 0.961 227 Q CA -0.357 55.398 55.803 -0.081 0.000 0.882 227 Q CB 0.795 29.668 28.738 0.224 0.000 1.264 227 Q HN 0.579 nan 8.270 nan 0.000 0.446 228 F N 2.717 122.761 119.950 0.157 0.000 2.444 228 F HA 0.373 4.599 4.527 -0.502 0.000 0.342 228 F C 0.347 176.279 175.800 0.220 0.000 1.121 228 F CA -0.949 57.116 58.000 0.108 0.000 0.997 228 F CB 1.321 40.306 39.000 -0.027 0.000 1.130 228 F HN 0.456 nan 8.300 nan 0.000 0.454 229 N N 2.205 121.100 118.700 0.325 0.000 2.476 229 N HA 0.220 4.657 4.740 -0.505 0.000 0.257 229 N C -0.952 174.705 175.510 0.244 0.000 0.970 229 N CA -0.323 52.877 53.050 0.250 0.000 0.938 229 N CB 1.044 39.628 38.487 0.162 0.000 1.144 229 N HN 0.564 nan 8.380 nan 0.000 0.500 230 D N 1.459 122.018 120.400 0.265 0.000 2.501 230 D HA 0.159 4.496 4.640 -0.505 0.000 0.226 230 D C 1.060 177.458 176.300 0.162 0.000 1.198 230 D CA 0.062 54.201 54.000 0.232 0.000 0.830 230 D CB 0.626 41.617 40.800 0.318 0.000 1.014 230 D HN 0.457 nan 8.370 nan 0.000 0.496 231 T N 0.204 114.835 114.554 0.127 0.000 2.665 231 T HA -0.184 3.863 4.350 -0.505 0.000 0.268 231 T C 1.370 176.114 174.700 0.073 0.000 1.035 231 T CA 1.235 63.387 62.100 0.088 0.000 1.151 231 T CB -0.037 68.873 68.868 0.070 0.000 0.862 231 T HN 0.324 nan 8.240 nan 0.000 0.438 232 E N 0.566 120.809 120.200 0.072 0.000 2.463 232 E HA 0.150 4.197 4.350 -0.505 0.000 0.193 232 E C -0.342 176.295 176.600 0.061 0.000 1.041 232 E CA -0.186 56.248 56.400 0.056 0.000 0.879 232 E CB 0.404 30.131 29.700 0.045 0.000 0.997 232 E HN 0.232 nan 8.360 nan 0.000 0.478 233 V N 3.767 123.729 119.914 0.080 0.000 2.432 233 V HA 0.134 3.951 4.120 -0.505 0.000 0.271 233 V C -2.079 174.060 176.094 0.075 0.000 1.046 233 V CA -1.746 60.605 62.300 0.084 0.000 0.945 233 V CB 0.429 32.316 31.823 0.107 0.000 0.992 233 V HN 0.014 nan 8.190 nan 0.000 0.471 234 P HA 0.245 nan 4.420 nan 0.000 0.271 234 P C -0.602 176.725 177.300 0.044 0.000 1.218 234 P CA -0.266 62.862 63.100 0.047 0.000 0.780 234 P CB 0.515 32.241 31.700 0.044 0.000 0.901 235 L N 2.615 123.845 121.223 0.010 0.000 2.326 235 L HA 0.366 4.403 4.340 -0.505 0.000 0.278 235 L C 0.616 177.434 176.870 -0.087 0.000 1.092 235 L CA -0.808 54.020 54.840 -0.021 0.000 0.810 235 L CB 0.538 42.579 42.059 -0.030 0.000 1.153 235 L HN 0.314 nan 8.230 nan 0.000 0.439 236 I N 3.011 123.484 120.570 -0.162 0.000 2.371 236 I HA 0.178 4.045 4.170 -0.505 0.000 0.290 236 I C -0.223 175.734 176.117 -0.267 0.000 1.028 236 I CA 0.304 61.408 61.300 -0.328 0.000 1.345 236 I CB 0.560 38.109 38.000 -0.753 0.000 1.407 236 I HN 0.565 nan 8.210 nan 0.000 0.501 237 E N 7.852 127.917 120.200 -0.226 0.000 2.199 237 E HA 0.500 4.547 4.350 -0.505 0.000 0.269 237 E C -1.700 174.825 176.600 -0.126 0.000 0.899 237 E CA -0.670 55.598 56.400 -0.221 0.000 0.772 237 E CB 1.948 31.553 29.700 -0.158 0.000 1.155 237 E HN 0.593 nan 8.360 nan 0.000 0.408 238 Y N -1.974 118.236 120.300 -0.150 0.000 2.581 238 Y HA 0.486 4.721 4.550 -0.525 0.000 0.337 238 Y C -0.726 175.097 175.900 -0.129 0.000 1.108 238 Y CA -1.287 56.732 58.100 -0.136 0.000 1.033 238 Y CB 0.947 39.333 38.460 -0.123 0.000 1.318 238 Y HN 0.229 nan 8.280 nan 0.000 0.459 239 S N 2.352 118.032 115.700 -0.033 0.000 2.531 239 S HA 0.347 4.514 4.470 -0.505 0.000 0.279 239 S C -1.236 173.188 174.600 -0.294 0.000 1.305 239 S CA -0.283 57.743 58.200 -0.289 0.000 1.058 239 S CB 0.051 62.920 63.200 -0.552 0.000 0.899 239 S HN 0.523 nan 8.310 nan 0.000 0.493 240 F N 2.900 122.614 119.950 -0.393 0.000 2.449 240 F HA 0.407 4.639 4.527 -0.491 0.000 0.342 240 F C -0.056 175.556 175.800 -0.313 0.000 1.127 240 F CA -0.824 57.023 58.000 -0.256 0.000 0.975 240 F CB 0.776 39.755 39.000 -0.035 0.000 1.146 240 F HN 0.664 nan 8.300 nan 0.000 0.444 241 Y N 2.585 122.739 120.300 -0.242 0.000 2.490 241 Y HA 0.093 4.243 4.550 -0.667 0.000 0.285 241 Y C 1.741 177.620 175.900 -0.035 0.000 1.117 241 Y CA 0.944 58.973 58.100 -0.118 0.000 1.262 241 Y CB -0.519 37.838 38.460 -0.172 0.000 1.043 241 Y HN 0.748 nan 8.280 nan 0.000 0.553 242 S N -0.194 115.534 115.700 0.047 0.000 3.251 242 S HA -0.291 3.876 4.470 -0.505 0.000 0.633 242 S C -0.354 174.327 174.600 0.134 0.000 2.788 242 S CA 0.481 58.826 58.200 0.242 0.000 3.086 242 S CB -1.196 62.206 63.200 0.337 0.000 0.327 242 S HN 0.520 nan 8.310 nan 0.000 1.718 243 D N 1.303 121.788 120.400 0.142 0.000 2.382 243 D HA 0.267 4.604 4.640 -0.505 0.000 0.240 243 D C 1.347 177.688 176.300 0.069 0.000 1.146 243 D CA 0.490 54.545 54.000 0.093 0.000 0.897 243 D CB 0.318 41.170 40.800 0.088 0.000 1.197 243 D HN 0.507 nan 8.370 nan 0.000 0.432 244 E N 0.351 120.578 120.200 0.044 0.000 2.187 244 E HA -0.256 3.791 4.350 -0.505 0.000 0.199 244 E C 1.488 178.103 176.600 0.026 0.000 1.004 244 E CA 1.333 57.748 56.400 0.024 0.000 0.813 244 E CB 0.103 29.810 29.700 0.012 0.000 0.736 244 E HN 0.515 nan 8.360 nan 0.000 0.468 245 S N 0.022 115.744 115.700 0.036 0.000 2.474 245 S HA -0.052 4.115 4.470 -0.505 0.000 0.235 245 S C 1.131 175.758 174.600 0.045 0.000 0.997 245 S CA 0.034 58.255 58.200 0.035 0.000 0.949 245 S CB -0.081 63.142 63.200 0.039 0.000 0.766 245 S HN 0.194 nan 8.310 nan 0.000 0.517 246 L N 2.473 123.733 121.223 0.061 0.000 2.456 246 L HA 0.137 4.174 4.340 -0.505 0.000 0.277 246 L C 1.626 178.532 176.870 0.060 0.000 1.124 246 L CA 0.074 54.962 54.840 0.081 0.000 0.880 246 L CB 0.907 43.032 42.059 0.110 0.000 1.192 246 L HN 0.446 nan 8.230 nan 0.000 0.463 247 Q N 4.092 123.928 119.800 0.060 0.000 2.046 247 Q HA -0.112 3.925 4.340 -0.505 0.000 0.200 247 Q C -0.559 175.346 176.000 -0.160 0.000 0.975 247 Q CA 1.456 57.235 55.803 -0.040 0.000 0.836 247 Q CB 0.203 28.941 28.738 -0.000 0.000 0.896 247 Q HN 0.570 nan 8.270 nan 0.000 0.428 248 Y N 0.560 120.881 120.300 0.035 0.000 2.352 248 Y HA 0.386 4.631 4.550 -0.508 0.000 0.339 248 Y C -2.060 173.863 175.900 0.039 0.000 0.992 248 Y CA -3.013 55.106 58.100 0.032 0.000 1.100 248 Y CB 1.254 39.723 38.460 0.015 0.000 1.192 248 Y HN 0.148 nan 8.280 nan 0.000 0.458 249 P HA 0.116 nan 4.420 nan 0.000 0.271 249 P C -0.984 176.345 177.300 0.047 0.000 1.218 249 P CA -0.658 62.488 63.100 0.077 0.000 0.780 249 P CB 0.635 32.334 31.700 -0.002 0.000 0.901 250 K N 0.183 120.599 120.400 0.026 0.000 2.087 250 K HA 0.589 4.607 4.320 -0.505 0.000 0.255 250 K C -0.732 175.832 176.600 -0.059 0.000 0.988 250 K CA -0.571 55.717 56.287 0.002 0.000 0.915 250 K CB 0.496 33.009 32.500 0.022 0.000 1.043 250 K HN 0.201 nan 8.250 nan 0.000 0.457 251 T N 1.646 116.148 114.554 -0.087 0.000 2.767 251 T HA 0.266 4.313 4.350 -0.505 0.000 0.284 251 T C -0.504 174.075 174.700 -0.203 0.000 0.973 251 T CA -0.837 61.172 62.100 -0.151 0.000 0.996 251 T CB 1.148 69.938 68.868 -0.130 0.000 0.927 251 T HN 0.379 nan 8.240 nan 0.000 0.456 252 V N 4.971 124.665 119.914 -0.366 0.000 2.498 252 V HA 0.397 4.214 4.120 -0.505 0.000 0.279 252 V C 0.440 176.268 176.094 -0.443 0.000 1.048 252 V CA -0.461 61.576 62.300 -0.438 0.000 0.967 252 V CB 0.777 32.191 31.823 -0.682 0.000 0.988 252 V HN 0.713 nan 8.190 nan 0.000 0.473 253 R N 5.125 125.493 120.500 -0.219 0.000 2.409 253 R HA 0.697 4.734 4.340 -0.505 0.000 0.313 253 R C -1.291 174.987 176.300 -0.037 0.000 0.953 253 R CA -0.440 55.572 56.100 -0.146 0.000 0.849 253 R CB 1.772 32.021 30.300 -0.086 0.000 1.171 253 R HN 0.622 nan 8.270 nan 0.000 0.458 254 I N 3.733 124.271 120.570 -0.053 0.000 2.466 254 I HA 0.334 4.201 4.170 -0.505 0.000 0.289 254 I C -2.308 173.835 176.117 0.043 0.000 1.026 254 I CA -2.740 58.581 61.300 0.036 0.000 1.078 254 I CB 2.440 40.384 38.000 -0.094 0.000 1.249 254 I HN 0.259 nan 8.210 nan 0.000 0.429 255 P HA 0.009 nan 4.420 nan 0.000 0.263 255 P C -1.402 175.975 177.300 0.129 0.000 1.247 255 P CA 0.328 63.511 63.100 0.138 0.000 0.876 255 P CB -0.229 31.594 31.700 0.206 0.000 0.928 256 Y N 6.718 126.975 120.300 -0.071 0.000 2.327 256 Y HA 0.450 4.705 4.550 -0.491 0.000 0.325 256 Y C -2.732 173.130 175.900 -0.063 0.000 0.999 256 Y CA -3.205 54.807 58.100 -0.147 0.000 1.195 256 Y CB 1.785 40.047 38.460 -0.329 0.000 1.132 256 Y HN 0.254 nan 8.280 nan 0.000 0.455 257 P HA 0.284 nan 4.420 nan 0.000 0.291 257 P C -0.933 176.406 177.300 0.065 0.000 1.340 257 P CA -0.253 62.871 63.100 0.040 0.000 0.799 257 P CB 1.050 32.751 31.700 0.002 0.000 0.917 258 K N 1.899 122.433 120.400 0.223 0.000 2.102 258 K HA 0.532 4.549 4.320 -0.505 0.000 0.244 258 K C 0.515 177.220 176.600 0.175 0.000 1.021 258 K CA -0.769 55.675 56.287 0.262 0.000 0.913 258 K CB 0.492 33.166 32.500 0.291 0.000 1.062 258 K HN 0.410 nan 8.250 nan 0.000 0.485 259 A N 0.841 123.793 122.820 0.219 0.000 2.563 259 A HA 0.245 4.263 4.320 -0.505 0.000 0.256 259 A C 1.184 178.821 177.584 0.087 0.000 1.056 259 A CA 1.054 53.209 52.037 0.196 0.000 0.775 259 A CB -1.401 17.797 19.000 0.330 0.000 0.973 259 A HN 0.902 nan 8.150 nan 0.000 0.516 260 G N 1.024 109.861 108.800 0.062 0.000 2.179 260 G HA2 0.100 3.757 3.960 -0.505 0.000 0.260 260 G HA3 0.100 3.757 3.960 -0.505 0.000 0.260 260 G C 0.686 175.599 174.900 0.023 0.000 0.977 260 G CA 0.761 45.870 45.100 0.015 0.000 0.641 260 G HN 2.171 nan 8.290 nan 0.000 0.533 261 A N -0.289 122.559 122.820 0.048 0.000 2.267 261 A HA 0.687 4.704 4.320 -0.505 0.000 0.271 261 A C 0.538 178.147 177.584 0.042 0.000 1.131 261 A CA 0.390 52.456 52.037 0.048 0.000 0.818 261 A CB 0.287 19.330 19.000 0.072 0.000 1.118 261 A HN 0.519 nan 8.150 nan 0.000 0.501 262 E N 0.526 120.751 120.200 0.040 0.000 2.366 262 E HA 0.176 4.223 4.350 -0.505 0.000 0.266 262 E C -0.529 176.103 176.600 0.053 0.000 1.015 262 E CA 0.302 56.724 56.400 0.038 0.000 0.906 262 E CB 0.095 29.817 29.700 0.037 0.000 0.979 262 E HN 0.528 nan 8.360 nan 0.000 0.443 263 N N 3.906 122.636 118.700 0.049 0.000 2.489 263 N HA 0.413 4.850 4.740 -0.505 0.000 0.284 263 N C -2.513 173.060 175.510 0.104 0.000 1.158 263 N CA -1.836 51.261 53.050 0.079 0.000 0.965 263 N CB 0.775 39.303 38.487 0.069 0.000 1.195 263 N HN 0.323 nan 8.380 nan 0.000 0.506 264 P HA 0.053 nan 4.420 nan 0.000 0.269 264 P C -0.499 176.929 177.300 0.213 0.000 1.209 264 P CA -0.058 63.176 63.100 0.223 0.000 0.776 264 P CB 0.174 32.060 31.700 0.311 0.000 0.876 265 T N -0.677 113.978 114.554 0.169 0.000 2.934 265 T HA 0.500 4.547 4.350 -0.505 0.000 0.283 265 T C -0.117 174.676 174.700 0.155 0.000 1.005 265 T CA -0.828 61.330 62.100 0.097 0.000 1.041 265 T CB 1.466 70.360 68.868 0.043 0.000 1.042 265 T HN 0.294 nan 8.240 nan 0.000 0.505 266 V N 0.839 120.812 119.914 0.098 0.000 2.656 266 V HA 0.692 4.509 4.120 -0.505 0.000 0.307 266 V C -1.161 174.970 176.094 0.062 0.000 1.051 266 V CA -0.880 61.451 62.300 0.053 0.000 0.893 266 V CB 1.945 33.852 31.823 0.141 0.000 0.999 266 V HN 0.975 nan 8.190 nan 0.000 0.426 267 K N 4.836 125.214 120.400 -0.037 0.000 2.316 267 K HA 0.580 4.597 4.320 -0.505 0.000 0.251 267 K C -1.595 174.910 176.600 -0.158 0.000 0.934 267 K CA -0.353 55.876 56.287 -0.097 0.000 0.802 267 K CB 2.229 34.685 32.500 -0.072 0.000 1.171 267 K HN 0.576 nan 8.250 nan 0.000 0.426 268 F N 3.445 123.140 119.950 -0.425 0.000 2.482 268 F HA 0.551 4.775 4.527 -0.505 0.000 0.331 268 F C -1.394 173.953 175.800 -0.755 0.000 1.115 268 F CA -0.732 57.013 58.000 -0.425 0.000 0.955 268 F CB 0.654 39.540 39.000 -0.190 0.000 1.136 268 F HN 0.378 nan 8.300 nan 0.000 0.452 269 F N 4.433 123.674 119.950 -1.183 0.000 2.563 269 F HA 0.672 4.896 4.527 -0.505 0.000 0.316 269 F C -0.880 174.367 175.800 -0.921 0.000 1.076 269 F CA -1.163 56.281 58.000 -0.927 0.000 0.921 269 F CB 2.123 40.486 39.000 -1.062 0.000 1.209 269 F HN 0.064 nan 8.300 nan 0.000 0.462 270 V N 3.522 123.294 119.914 -0.237 0.000 2.378 270 V HA 0.432 4.250 4.120 -0.505 0.000 0.288 270 V C -0.652 175.573 176.094 0.218 0.000 1.016 270 V CA -0.821 61.414 62.300 -0.108 0.000 0.840 270 V CB 1.552 33.132 31.823 -0.405 0.000 0.994 270 V HN 0.499 nan 8.190 nan 0.000 0.431 271 V N 3.681 123.758 119.914 0.271 0.000 2.370 271 V HA 0.298 4.115 4.120 -0.505 0.000 0.279 271 V C 0.085 176.439 176.094 0.434 0.000 1.029 271 V CA -0.459 62.023 62.300 0.304 0.000 0.870 271 V CB 1.689 33.615 31.823 0.171 0.000 0.984 271 V HN 0.881 nan 8.190 nan 0.000 0.451 272 D N 3.910 124.604 120.400 0.489 0.000 2.344 272 D HA 0.036 4.373 4.640 -0.505 0.000 0.253 272 D C 1.398 177.798 176.300 0.167 0.000 1.255 272 D CA 0.161 54.403 54.000 0.404 0.000 0.894 272 D CB 1.557 42.626 40.800 0.447 0.000 1.067 272 D HN 0.737 nan 8.370 nan 0.000 0.492 273 T N 1.239 115.841 114.554 0.079 0.000 3.148 273 T HA 0.022 4.069 4.350 -0.505 0.000 0.253 273 T C 1.641 176.372 174.700 0.051 0.000 1.134 273 T CA 0.275 62.426 62.100 0.085 0.000 1.051 273 T CB 0.063 69.037 68.868 0.176 0.000 0.959 273 T HN 0.292 nan 8.240 nan 0.000 0.525 274 R N 1.359 121.861 120.500 0.003 0.000 2.092 274 R HA -0.027 4.011 4.340 -0.505 0.000 0.231 274 R C 2.588 178.909 176.300 0.035 0.000 1.119 274 R CA 1.806 57.904 56.100 -0.002 0.000 0.970 274 R CB -0.547 29.732 30.300 -0.036 0.000 0.864 274 R HN 0.650 nan 8.270 nan 0.000 0.440 275 T N -1.455 113.135 114.554 0.060 0.000 3.129 275 T HA 0.196 4.243 4.350 -0.505 0.000 0.251 275 T C 0.724 175.465 174.700 0.068 0.000 1.117 275 T CA -0.138 62.003 62.100 0.069 0.000 1.034 275 T CB -0.058 68.864 68.868 0.090 0.000 0.968 275 T HN -0.015 nan 8.240 nan 0.000 0.526 276 L N 2.447 123.708 121.223 0.064 0.000 2.562 276 L HA 0.383 4.421 4.340 -0.505 0.000 0.271 276 L C 0.365 177.268 176.870 0.056 0.000 1.167 276 L CA 0.000 54.876 54.840 0.060 0.000 0.917 276 L CB 0.343 42.435 42.059 0.054 0.000 1.187 276 L HN 0.259 nan 8.230 nan 0.000 0.482 277 S N 3.758 119.494 115.700 0.060 0.000 2.535 277 S HA 0.417 4.584 4.470 -0.505 0.000 0.272 277 S C -2.089 172.551 174.600 0.066 0.000 1.149 277 S CA -0.993 57.242 58.200 0.058 0.000 0.888 277 S CB 1.936 65.168 63.200 0.053 0.000 1.110 277 S HN 0.239 nan 8.310 nan 0.000 0.463 278 P HA -0.077 nan 4.420 nan 0.000 0.216 278 P C 0.438 177.784 177.300 0.076 0.000 1.157 278 P CA 1.350 64.494 63.100 0.073 0.000 0.880 278 P CB 0.060 31.795 31.700 0.060 0.000 0.791 279 N N -1.215 117.521 118.700 0.060 0.000 2.276 279 N HA 0.238 4.675 4.740 -0.505 0.000 0.212 279 N C 0.104 175.645 175.510 0.051 0.000 1.127 279 N CA 0.072 53.152 53.050 0.051 0.000 0.834 279 N CB 0.193 38.703 38.487 0.038 0.000 1.014 279 N HN 0.088 nan 8.380 nan 0.000 0.491 280 A N 0.218 123.077 122.820 0.065 0.000 2.355 280 A HA 0.626 4.643 4.320 -0.505 0.000 0.324 280 A C 0.563 178.200 177.584 0.088 0.000 1.117 280 A CA -0.590 51.487 52.037 0.068 0.000 0.785 280 A CB 0.959 19.999 19.000 0.068 0.000 1.254 280 A HN 0.182 nan 8.150 nan 0.000 0.453 281 S N 0.358 116.107 115.700 0.081 0.000 2.617 281 S HA 0.465 4.633 4.470 -0.505 0.000 0.259 281 S C 0.077 174.751 174.600 0.123 0.000 1.301 281 S CA -0.468 57.794 58.200 0.104 0.000 0.984 281 S CB 0.590 63.833 63.200 0.072 0.000 0.954 281 S HN 0.853 nan 8.310 nan 0.000 0.572 282 V N 1.667 121.670 119.914 0.148 0.000 2.461 282 V HA 0.282 4.099 4.120 -0.505 0.000 0.275 282 V C 0.450 176.626 176.094 0.136 0.000 1.047 282 V CA -0.457 61.918 62.300 0.126 0.000 0.955 282 V CB 0.992 32.877 31.823 0.103 0.000 0.988 282 V HN 0.999 nan 8.190 nan 0.000 0.471 283 T N 4.861 119.508 114.554 0.154 0.000 2.727 283 T HA 0.463 4.510 4.350 -0.505 0.000 0.298 283 T C 0.062 174.915 174.700 0.256 0.000 0.942 283 T CA -0.213 62.008 62.100 0.202 0.000 0.997 283 T CB 0.341 69.338 68.868 0.216 0.000 0.917 283 T HN 0.919 nan 8.240 nan 0.000 0.487 284 S N 3.119 118.981 115.700 0.271 0.000 2.546 284 S HA 0.645 4.812 4.470 -0.505 0.000 0.274 284 S C -1.525 173.320 174.600 0.408 0.000 1.121 284 S CA -1.027 57.370 58.200 0.330 0.000 0.887 284 S CB 1.401 64.748 63.200 0.246 0.000 1.094 284 S HN 0.574 nan 8.310 nan 0.000 0.474 285 Y N 1.488 121.972 120.300 0.306 0.000 2.393 285 Y HA 0.498 4.746 4.550 -0.504 0.000 0.341 285 Y C -0.143 175.842 175.900 0.140 0.000 0.988 285 Y CA -0.534 57.724 58.100 0.262 0.000 1.078 285 Y CB 1.725 40.407 38.460 0.370 0.000 1.203 285 Y HN 0.856 nan 8.280 nan 0.000 0.453 286 Q N 6.544 126.034 119.800 -0.516 0.000 2.331 286 Q HA 0.429 4.467 4.340 -0.505 0.000 0.257 286 Q C -1.202 174.476 176.000 -0.537 0.000 0.957 286 Q CA -0.489 54.919 55.803 -0.657 0.000 0.923 286 Q CB 0.624 28.940 28.738 -0.705 0.000 1.212 286 Q HN 0.724 nan 8.270 nan 0.000 0.443 287 I N 4.752 125.210 120.570 -0.186 0.000 2.325 287 I HA 0.207 4.075 4.170 -0.505 0.000 0.291 287 I C 0.294 176.403 176.117 -0.013 0.000 1.019 287 I CA -0.846 60.482 61.300 0.047 0.000 1.302 287 I CB 0.959 39.095 38.000 0.226 0.000 1.401 287 I HN 0.325 nan 8.210 nan 0.000 0.485 288 V N 4.967 124.809 119.914 -0.119 0.000 2.716 288 V HA 0.608 4.425 4.120 -0.505 0.000 0.304 288 V C -2.309 173.485 176.094 -0.499 0.000 1.053 288 V CA -2.142 59.982 62.300 -0.294 0.000 0.984 288 V CB 0.841 32.498 31.823 -0.278 0.000 1.021 288 V HN 0.516 nan 8.190 nan 0.000 0.467 289 P HA 0.306 nan 4.420 nan 0.000 0.270 289 P C -2.734 174.131 177.300 -0.725 0.000 1.223 289 P CA -1.218 60.955 63.100 -1.545 0.000 0.785 289 P CB -0.483 29.936 31.700 -2.135 0.000 0.923 290 P HA -0.052 nan 4.420 nan 0.000 0.269 290 P C 0.928 178.065 177.300 -0.273 0.000 1.211 290 P CA 0.273 63.217 63.100 -0.261 0.000 0.781 290 P CB 0.087 31.706 31.700 -0.134 0.000 0.877 291 A N 2.369 125.075 122.820 -0.191 0.000 1.927 291 A HA -0.263 3.754 4.320 -0.505 0.000 0.220 291 A C 2.192 179.663 177.584 -0.188 0.000 1.185 291 A CA 2.691 54.623 52.037 -0.176 0.000 0.639 291 A CB -1.915 17.013 19.000 -0.121 0.000 0.820 291 A HN 0.648 nan 8.150 nan 0.000 0.451 292 S N -1.145 114.458 115.700 -0.162 0.000 2.442 292 S HA -0.054 4.113 4.470 -0.505 0.000 0.236 292 S C 1.517 175.940 174.600 -0.295 0.000 1.007 292 S CA 1.500 59.578 58.200 -0.204 0.000 0.965 292 S CB -0.370 62.768 63.200 -0.104 0.000 0.773 292 S HN 0.300 nan 8.310 nan 0.000 0.504 293 V N 0.651 120.403 119.914 -0.270 0.000 3.085 293 V HA 0.265 4.082 4.120 -0.505 0.000 0.245 293 V C 2.233 178.073 176.094 -0.424 0.000 1.114 293 V CA 0.410 62.526 62.300 -0.308 0.000 1.108 293 V CB -0.407 31.247 31.823 -0.282 0.000 0.798 293 V HN 0.402 nan 8.190 nan 0.000 0.471 294 L N 0.785 121.728 121.223 -0.467 0.000 2.127 294 L HA -0.194 3.844 4.340 -0.505 0.000 0.211 294 L C 2.422 179.164 176.870 -0.215 0.000 1.089 294 L CA 1.955 56.542 54.840 -0.422 0.000 0.757 294 L CB -0.273 41.576 42.059 -0.349 0.000 0.899 294 L HN 0.463 nan 8.230 nan 0.000 0.434 295 I N -2.432 118.026 120.570 -0.186 0.000 2.264 295 I HA -0.048 3.819 4.170 -0.505 0.000 0.248 295 I C 1.285 177.350 176.117 -0.088 0.000 1.111 295 I CA 1.241 62.464 61.300 -0.128 0.000 1.382 295 I CB -0.867 37.052 38.000 -0.136 0.000 1.060 295 I HN 0.123 nan 8.210 nan 0.000 0.418 296 G N -0.252 108.503 108.800 -0.075 0.000 3.176 296 G HA2 0.370 4.028 3.960 -0.505 0.000 0.272 296 G HA3 0.370 4.028 3.960 -0.505 0.000 0.272 296 G C -1.597 173.319 174.900 0.028 0.000 1.349 296 G CA -0.531 44.544 45.100 -0.040 0.000 0.953 296 G HN 0.019 nan 8.290 nan 0.000 0.559 297 D N 1.066 121.441 120.400 -0.041 0.000 2.488 297 D HA 0.342 4.679 4.640 -0.505 0.000 0.238 297 D C 0.404 176.614 176.300 -0.151 0.000 1.138 297 D CA 0.817 54.739 54.000 -0.130 0.000 0.873 297 D CB 0.336 41.035 40.800 -0.168 0.000 1.183 297 D HN 0.519 nan 8.370 nan 0.000 0.458 298 H N -0.417 118.471 119.070 -0.304 0.000 2.960 298 H HA 0.436 4.690 4.556 -0.504 0.000 0.323 298 H C -1.353 173.774 175.328 -0.335 0.000 1.326 298 H CA -0.824 55.045 56.048 -0.298 0.000 1.124 298 H CB 0.318 30.033 29.762 -0.079 0.000 1.853 298 H HN 0.282 nan 8.280 nan 0.000 0.536 299 Y N 0.095 120.619 120.300 0.373 0.000 2.536 299 Y HA 0.403 4.650 4.550 -0.505 0.000 0.347 299 Y C -0.273 175.964 175.900 0.562 0.000 1.000 299 Y CA -1.206 57.130 58.100 0.393 0.000 1.051 299 Y CB 1.889 40.410 38.460 0.101 0.000 1.259 299 Y HN 0.483 nan 8.280 nan 0.000 0.468 300 L N 3.019 124.636 121.223 0.658 0.000 2.260 300 L HA 0.386 4.423 4.340 -0.505 0.000 0.289 300 L C 0.432 177.502 176.870 0.333 0.000 1.057 300 L CA -0.184 54.719 54.840 0.106 0.000 0.811 300 L CB 0.361 42.326 42.059 -0.156 0.000 1.184 300 L HN 1.002 nan 8.230 nan 0.000 0.429 301 C N 1.727 121.128 119.300 0.168 0.000 3.228 301 C HA 0.820 4.978 4.460 -0.505 0.000 0.290 301 C C 0.730 175.847 174.990 0.211 0.000 1.301 301 C CA 0.028 59.228 59.018 0.303 0.000 1.703 301 C CB -0.805 27.035 27.740 0.167 0.000 2.141 301 C HN 0.890 nan 8.230 nan 0.000 0.656 302 G N 0.377 109.112 108.800 -0.109 0.000 2.768 302 G HA2 0.567 4.224 3.960 -0.505 0.000 0.297 302 G HA3 0.567 4.224 3.960 -0.505 0.000 0.297 302 G C -1.721 172.794 174.900 -0.642 0.000 1.430 302 G CA -0.146 44.765 45.100 -0.315 0.000 1.030 302 G HN 0.295 nan 8.290 nan 0.000 0.553 303 V N 1.165 120.584 119.914 -0.825 0.000 2.531 303 V HA 0.780 4.597 4.120 -0.505 0.000 0.301 303 V C -0.263 175.371 176.094 -0.767 0.000 1.034 303 V CA -0.653 60.987 62.300 -1.100 0.000 0.865 303 V CB 1.958 32.621 31.823 -1.934 0.000 0.995 303 V HN 0.821 nan 8.190 nan 0.000 0.424 304 T N 3.368 117.545 114.554 -0.629 0.000 2.949 304 T HA 0.354 4.401 4.350 -0.505 0.000 0.300 304 T C -0.893 173.564 174.700 -0.405 0.000 0.988 304 T CA -0.359 61.524 62.100 -0.362 0.000 0.993 304 T CB 0.781 69.536 68.868 -0.189 0.000 0.984 304 T HN 0.566 nan 8.240 nan 0.000 0.442 305 W N 3.144 124.348 121.300 -0.159 0.000 2.356 305 W HA 0.329 4.686 4.660 -0.505 0.000 0.311 305 W C 1.111 177.544 176.519 -0.142 0.000 1.328 305 W CA -0.407 56.875 57.345 -0.105 0.000 1.251 305 W CB 0.560 30.045 29.460 0.043 0.000 1.280 305 W HN 0.476 nan 8.180 nan 0.000 0.524 306 V N 2.132 122.036 119.914 -0.017 0.000 2.403 306 V HA 0.004 3.821 4.120 -0.505 0.000 0.239 306 V C 1.140 177.293 176.094 0.098 0.000 1.041 306 V CA 1.772 63.970 62.300 -0.170 0.000 1.051 306 V CB -0.460 31.022 31.823 -0.568 0.000 0.704 306 V HN 0.656 nan 8.190 nan 0.000 0.472 307 T N -3.945 110.725 114.554 0.193 0.000 2.645 307 T HA 0.334 4.381 4.350 -0.505 0.000 0.273 307 T C 0.708 175.613 174.700 0.342 0.000 0.960 307 T CA -0.398 61.839 62.100 0.230 0.000 1.051 307 T CB 1.745 70.722 68.868 0.181 0.000 1.366 307 T HN -0.019 nan 8.240 nan 0.000 0.536 308 E N 0.557 120.913 120.200 0.260 0.000 2.274 308 E HA -0.007 4.040 4.350 -0.505 0.000 0.194 308 E C 1.007 177.893 176.600 0.477 0.000 0.996 308 E CA 0.913 57.481 56.400 0.280 0.000 0.840 308 E CB 0.135 29.929 29.700 0.157 0.000 0.772 308 E HN 0.723 nan 8.360 nan 0.000 0.491 309 E N -0.141 120.298 120.200 0.398 0.000 2.693 309 E HA 0.164 4.211 4.350 -0.505 0.000 0.214 309 E C 0.156 176.985 176.600 0.381 0.000 0.990 309 E CA -0.164 56.422 56.400 0.310 0.000 1.047 309 E CB 1.128 30.935 29.700 0.178 0.000 1.039 309 E HN -0.128 nan 8.360 nan 0.000 0.475 310 R N 1.572 122.381 120.500 0.515 0.000 2.518 310 R HA 0.451 4.489 4.340 -0.505 0.000 0.296 310 R C -1.599 174.791 176.300 0.150 0.000 1.080 310 R CA -0.349 55.941 56.100 0.317 0.000 0.922 310 R CB 1.246 31.617 30.300 0.120 0.000 1.184 310 R HN 0.045 nan 8.270 nan 0.000 0.445 311 I N 2.134 122.655 120.570 -0.082 0.000 2.530 311 I HA 0.381 4.249 4.170 -0.505 0.000 0.297 311 I C -0.863 174.944 176.117 -0.517 0.000 1.011 311 I CA -0.404 60.525 61.300 -0.618 0.000 1.107 311 I CB 2.126 39.373 38.000 -1.256 0.000 1.285 311 I HN 0.545 nan 8.210 nan 0.000 0.436 312 S N 7.526 122.853 115.700 -0.622 0.000 2.456 312 S HA 0.621 4.788 4.470 -0.505 0.000 0.316 312 S C -0.906 173.351 174.600 -0.573 0.000 1.089 312 S CA -0.643 57.261 58.200 -0.494 0.000 1.101 312 S CB 0.533 63.468 63.200 -0.440 0.000 0.995 312 S HN 0.499 nan 8.310 nan 0.000 0.468 313 L N 4.366 125.281 121.223 -0.514 0.000 2.322 313 L HA 0.548 4.585 4.340 -0.505 0.000 0.281 313 L C -0.034 176.507 176.870 -0.548 0.000 1.014 313 L CA -0.592 53.821 54.840 -0.711 0.000 0.815 313 L CB 1.886 43.483 42.059 -0.770 0.000 1.247 313 L HN 0.611 nan 8.230 nan 0.000 0.421 314 Q N 2.288 121.706 119.800 -0.636 0.000 2.347 314 Q HA 0.356 4.393 4.340 -0.505 0.000 0.262 314 Q C -1.782 173.961 176.000 -0.427 0.000 0.980 314 Q CA -0.454 55.122 55.803 -0.378 0.000 0.867 314 Q CB 1.125 29.708 28.738 -0.258 0.000 1.242 314 Q HN 0.435 nan 8.270 nan 0.000 0.453 315 W N 4.005 125.277 121.300 -0.046 0.000 2.627 315 W HA 0.666 5.023 4.660 -0.505 0.000 0.339 315 W C -0.559 176.015 176.519 0.093 0.000 1.058 315 W CA -0.686 56.678 57.345 0.031 0.000 1.223 315 W CB 1.248 30.692 29.460 -0.025 0.000 1.389 315 W HN 0.490 nan 8.180 nan 0.000 0.541 316 I N 1.922 122.748 120.570 0.427 0.000 2.686 316 I HA 0.415 4.282 4.170 -0.505 0.000 0.295 316 I C -0.025 176.285 176.117 0.322 0.000 1.114 316 I CA -1.009 60.496 61.300 0.342 0.000 1.038 316 I CB 1.267 39.443 38.000 0.293 0.000 1.238 316 I HN 0.375 nan 8.210 nan 0.000 0.420 317 R N 4.684 125.334 120.500 0.249 0.000 2.774 317 R HA 0.225 4.262 4.340 -0.505 0.000 0.269 317 R C 1.054 177.396 176.300 0.070 0.000 1.068 317 R CA -0.296 55.875 56.100 0.118 0.000 1.180 317 R CB 0.453 30.797 30.300 0.074 0.000 1.077 317 R HN 0.647 nan 8.270 nan 0.000 0.513 318 R N 1.182 121.633 120.500 -0.082 0.000 2.105 318 R HA -0.185 3.852 4.340 -0.505 0.000 0.239 318 R C 1.917 178.272 176.300 0.092 0.000 1.135 318 R CA 1.936 57.969 56.100 -0.111 0.000 0.967 318 R CB -0.288 29.909 30.300 -0.173 0.000 0.861 318 R HN 0.755 nan 8.270 nan 0.000 0.442 319 A N 0.185 123.036 122.820 0.052 0.000 2.019 319 A HA -0.176 3.841 4.320 -0.505 0.000 0.219 319 A C 0.842 178.466 177.584 0.066 0.000 1.164 319 A CA 1.474 53.541 52.037 0.050 0.000 0.644 319 A CB -0.081 18.938 19.000 0.032 0.000 0.805 319 A HN 0.596 nan 8.150 nan 0.000 0.449 320 Q N -2.376 117.495 119.800 0.117 0.000 2.506 320 Q HA -0.203 3.835 4.340 -0.505 0.000 0.268 320 Q C 0.048 176.120 176.000 0.121 0.000 1.002 320 Q CA 0.674 56.553 55.803 0.127 0.000 1.052 320 Q CB -1.751 27.023 28.738 0.060 0.000 1.383 320 Q HN 0.967 nan 8.270 nan 0.000 0.537 321 N N -0.636 118.137 118.700 0.121 0.000 2.184 321 N HA 0.065 4.502 4.740 -0.505 0.000 0.206 321 N C -0.653 174.942 175.510 0.142 0.000 1.151 321 N CA 0.095 53.203 53.050 0.098 0.000 0.878 321 N CB 0.395 38.915 38.487 0.055 0.000 1.014 321 N HN 0.323 nan 8.380 nan 0.000 0.512 322 Y N 0.425 120.750 120.300 0.041 0.000 2.329 322 Y HA 0.630 4.877 4.550 -0.505 0.000 0.328 322 Y C -1.110 174.828 175.900 0.063 0.000 0.992 322 Y CA -1.135 56.989 58.100 0.039 0.000 1.151 322 Y CB 1.724 40.197 38.460 0.022 0.000 1.150 322 Y HN -0.027 nan 8.280 nan 0.000 0.450 323 S N 6.700 122.335 115.700 -0.108 0.000 2.536 323 S HA 0.755 4.923 4.470 -0.505 0.000 0.287 323 S C -1.648 172.891 174.600 -0.103 0.000 1.101 323 S CA -0.625 57.579 58.200 0.007 0.000 0.950 323 S CB 0.963 64.173 63.200 0.017 0.000 1.056 323 S HN 0.717 nan 8.310 nan 0.000 0.481 324 I N 3.951 124.554 120.570 0.055 0.000 2.686 324 I HA 0.571 4.439 4.170 -0.505 0.000 0.295 324 I C -1.500 174.652 176.117 0.060 0.000 1.114 324 I CA -0.979 60.349 61.300 0.048 0.000 1.038 324 I CB 1.588 39.667 38.000 0.131 0.000 1.238 324 I HN 0.646 nan 8.210 nan 0.000 0.420 325 I N 5.828 126.409 120.570 0.018 0.000 2.330 325 I HA 0.274 4.141 4.170 -0.505 0.000 0.289 325 I C -1.088 175.046 176.117 0.029 0.000 1.001 325 I CA -0.332 60.953 61.300 -0.024 0.000 1.193 325 I CB 1.280 39.211 38.000 -0.115 0.000 1.345 325 I HN 0.446 nan 8.210 nan 0.000 0.461 326 D N 7.592 128.001 120.400 0.015 0.000 2.349 326 D HA 0.448 4.785 4.640 -0.505 0.000 0.232 326 D C -0.623 175.653 176.300 -0.040 0.000 1.071 326 D CA -0.242 53.774 54.000 0.026 0.000 0.832 326 D CB 1.133 41.998 40.800 0.110 0.000 1.086 326 D HN 0.251 nan 8.370 nan 0.000 0.504 327 I N 3.970 124.538 120.570 -0.003 0.000 2.307 327 I HA 0.260 4.127 4.170 -0.505 0.000 0.289 327 I C -0.367 175.757 176.117 0.011 0.000 1.021 327 I CA -0.453 60.834 61.300 -0.023 0.000 1.224 327 I CB 0.937 38.977 38.000 0.068 0.000 1.376 327 I HN 0.291 nan 8.210 nan 0.000 0.470 328 C N 4.386 123.694 119.300 0.013 0.000 2.329 328 C HA 0.449 4.606 4.460 -0.505 0.000 0.329 328 C C -0.175 174.975 174.990 0.267 0.000 1.275 328 C CA -0.727 58.372 59.018 0.135 0.000 1.726 328 C CB 0.709 28.552 27.740 0.172 0.000 2.291 328 C HN 0.570 nan 8.230 nan 0.000 0.514 329 D N 0.967 121.468 120.400 0.168 0.000 2.193 329 D HA 0.239 4.576 4.640 -0.505 0.000 0.244 329 D C -0.476 175.721 176.300 -0.171 0.000 1.064 329 D CA -0.144 53.895 54.000 0.066 0.000 0.845 329 D CB 0.792 41.596 40.800 0.005 0.000 1.148 329 D HN 0.570 nan 8.370 nan 0.000 0.464 330 Y N 1.879 121.780 120.300 -0.665 0.000 2.544 330 Y HA 0.117 4.364 4.550 -0.505 0.000 0.330 330 Y C 0.033 175.591 175.900 -0.570 0.000 1.136 330 Y CA -0.030 57.358 58.100 -1.187 0.000 1.417 330 Y CB 0.550 38.123 38.460 -1.479 0.000 1.229 330 Y HN 0.179 nan 8.280 nan 0.000 0.532 331 D N 5.146 124.915 120.400 -1.050 0.000 2.359 331 D HA 0.103 4.440 4.640 -0.505 0.000 0.230 331 D C 0.694 176.433 176.300 -0.934 0.000 1.118 331 D CA -0.031 53.534 54.000 -0.725 0.000 0.844 331 D CB 1.004 41.498 40.800 -0.511 0.000 1.059 331 D HN 0.810 nan 8.370 nan 0.000 0.493 332 E N 1.361 121.252 120.200 -0.516 0.000 2.153 332 E HA -0.177 3.870 4.350 -0.505 0.000 0.194 332 E C 1.674 178.160 176.600 -0.191 0.000 0.988 332 E CA 1.162 57.408 56.400 -0.256 0.000 0.811 332 E CB 0.292 29.988 29.700 -0.008 0.000 0.746 332 E HN 0.544 nan 8.360 nan 0.000 0.466 333 S N -0.795 114.792 115.700 -0.188 0.000 2.414 333 S HA -0.104 4.064 4.470 -0.505 0.000 0.227 333 S C 2.041 176.568 174.600 -0.122 0.000 1.022 333 S CA 1.449 59.580 58.200 -0.115 0.000 0.958 333 S CB -0.122 63.024 63.200 -0.090 0.000 0.797 333 S HN 0.328 nan 8.310 nan 0.000 0.493 334 T N -4.184 110.248 114.554 -0.204 0.000 2.969 334 T HA 0.539 4.587 4.350 -0.505 0.000 0.250 334 T C 1.670 176.260 174.700 -0.183 0.000 1.021 334 T CA 0.778 62.781 62.100 -0.162 0.000 1.003 334 T CB 0.018 68.791 68.868 -0.157 0.000 1.040 334 T HN 1.223 nan 8.240 nan 0.000 0.492 335 G N 2.051 110.623 108.800 -0.381 0.000 2.176 335 G HA2 -0.245 3.412 3.960 -0.505 0.000 0.253 335 G HA3 -0.245 3.412 3.960 -0.505 0.000 0.253 335 G C 0.239 174.870 174.900 -0.450 0.000 0.979 335 G CA -0.070 44.839 45.100 -0.318 0.000 0.641 335 G HN 0.689 nan 8.290 nan 0.000 0.530 336 R N -1.024 119.093 120.500 -0.639 0.000 2.679 336 R HA 0.410 4.448 4.340 -0.505 0.000 0.269 336 R C -0.549 175.167 176.300 -0.973 0.000 1.076 336 R CA -0.022 55.474 56.100 -1.006 0.000 1.160 336 R CB 0.443 30.334 30.300 -0.682 0.000 1.054 336 R HN 0.227 nan 8.270 nan 0.000 0.507 337 W N 2.421 123.137 121.300 -0.973 0.000 2.361 337 W HA 0.411 4.769 4.660 -0.504 0.000 0.314 337 W C -0.390 176.010 176.519 -0.199 0.000 1.041 337 W CA -0.347 56.794 57.345 -0.341 0.000 1.241 337 W CB 0.686 30.090 29.460 -0.092 0.000 1.279 337 W HN 0.312 nan 8.180 nan 0.000 0.436 338 I N 3.010 123.584 120.570 0.008 0.000 2.392 338 I HA 0.396 4.263 4.170 -0.505 0.000 0.295 338 I C 0.306 176.454 176.117 0.052 0.000 0.985 338 I CA -0.656 60.650 61.300 0.009 0.000 1.221 338 I CB 1.359 39.321 38.000 -0.063 0.000 1.366 338 I HN 0.173 nan 8.210 nan 0.000 0.467 339 S N 3.378 119.107 115.700 0.047 0.000 2.565 339 S HA 0.669 4.836 4.470 -0.505 0.000 0.290 339 S C -0.265 174.338 174.600 0.004 0.000 1.150 339 S CA -0.759 57.458 58.200 0.028 0.000 1.058 339 S CB 1.627 64.839 63.200 0.020 0.000 1.032 339 S HN 0.754 nan 8.310 nan 0.000 0.510 340 S N 0.592 116.291 115.700 -0.003 0.000 2.541 340 S HA 0.415 4.583 4.470 -0.505 0.000 0.280 340 S C 0.657 175.239 174.600 -0.030 0.000 1.112 340 S CA -0.829 57.362 58.200 -0.015 0.000 0.925 340 S CB 1.039 64.233 63.200 -0.009 0.000 1.067 340 S HN 0.267 nan 8.310 nan 0.000 0.479 341 V N 2.564 122.457 119.914 -0.035 0.000 2.380 341 V HA -0.213 3.604 4.120 -0.505 0.000 0.251 341 V C 2.987 179.037 176.094 -0.072 0.000 1.063 341 V CA 2.659 64.931 62.300 -0.048 0.000 1.055 341 V CB -1.516 30.286 31.823 -0.036 0.000 0.657 341 V HN 1.040 nan 8.190 nan 0.000 0.455 342 A N -0.423 122.364 122.820 -0.055 0.000 2.019 342 A HA -0.177 3.840 4.320 -0.505 0.000 0.219 342 A C 2.239 179.761 177.584 -0.103 0.000 1.164 342 A CA 1.378 53.379 52.037 -0.060 0.000 0.644 342 A CB -0.409 18.579 19.000 -0.020 0.000 0.805 342 A HN 0.543 nan 8.150 nan 0.000 0.449 343 R N -0.672 119.777 120.500 -0.085 0.000 2.334 343 R HA 0.143 4.180 4.340 -0.505 0.000 0.220 343 R C -0.211 175.970 176.300 -0.197 0.000 0.917 343 R CA -0.005 56.056 56.100 -0.066 0.000 1.073 343 R CB 0.149 30.468 30.300 0.031 0.000 1.056 343 R HN 0.576 nan 8.270 nan 0.000 0.506 344 Q N 0.168 119.788 119.800 -0.300 0.000 2.271 344 Q HA 0.211 4.248 4.340 -0.505 0.000 0.258 344 Q C -1.189 174.554 176.000 -0.429 0.000 0.936 344 Q CA -0.307 55.347 55.803 -0.247 0.000 0.909 344 Q CB 1.523 30.198 28.738 -0.106 0.000 1.253 344 Q HN 0.227 nan 8.270 nan 0.000 0.440 345 H N 2.052 121.125 119.070 0.003 0.000 2.887 345 H HA 0.352 4.605 4.556 -0.505 0.000 0.300 345 H C -0.728 174.557 175.328 -0.072 0.000 1.038 345 H CA -0.409 55.629 56.048 -0.018 0.000 1.352 345 H CB 0.673 30.399 29.762 -0.059 0.000 1.473 345 H HN 0.457 nan 8.280 nan 0.000 0.503 346 I N 2.118 122.694 120.570 0.010 0.000 2.519 346 I HA 0.141 4.008 4.170 -0.505 0.000 0.287 346 I C 0.348 176.402 176.117 -0.105 0.000 1.047 346 I CA 0.202 61.425 61.300 -0.130 0.000 1.381 346 I CB 0.901 38.785 38.000 -0.193 0.000 1.417 346 I HN 0.585 nan 8.210 nan 0.000 0.540 347 E N 6.949 127.034 120.200 -0.191 0.000 2.260 347 E HA 0.536 4.583 4.350 -0.505 0.000 0.266 347 E C -1.451 175.046 176.600 -0.173 0.000 0.887 347 E CA -0.645 55.689 56.400 -0.109 0.000 0.777 347 E CB 1.963 31.638 29.700 -0.042 0.000 1.205 347 E HN 0.561 nan 8.360 nan 0.000 0.414 348 I N 0.167 120.668 120.570 -0.116 0.000 2.892 348 I HA 0.675 4.543 4.170 -0.505 0.000 0.306 348 I C -0.723 175.374 176.117 -0.033 0.000 1.078 348 I CA -0.754 60.493 61.300 -0.087 0.000 1.032 348 I CB 2.315 40.268 38.000 -0.078 0.000 1.229 348 I HN 0.262 nan 8.210 nan 0.000 0.435 349 S N 0.897 116.581 115.700 -0.026 0.000 2.561 349 S HA 0.510 4.677 4.470 -0.505 0.000 0.303 349 S C 0.407 174.968 174.600 -0.065 0.000 1.110 349 S CA 0.045 58.208 58.200 -0.062 0.000 1.034 349 S CB 1.205 64.331 63.200 -0.124 0.000 1.010 349 S HN 0.901 nan 8.310 nan 0.000 0.482 350 T N 0.296 114.811 114.554 -0.066 0.000 3.022 350 T HA 0.074 4.121 4.350 -0.505 0.000 0.250 350 T C 1.450 176.099 174.700 -0.085 0.000 1.060 350 T CA 0.764 62.832 62.100 -0.052 0.000 1.013 350 T CB -0.222 68.630 68.868 -0.026 0.000 0.982 350 T HN 0.654 nan 8.240 nan 0.000 0.508 351 T N -2.148 112.317 114.554 -0.148 0.000 2.990 351 T HA 0.611 4.658 4.350 -0.505 0.000 0.249 351 T C 1.273 175.743 174.700 -0.383 0.000 1.039 351 T CA 0.441 62.435 62.100 -0.176 0.000 1.036 351 T CB 0.442 69.269 68.868 -0.070 0.000 0.994 351 T HN 0.549 nan 8.240 nan 0.000 0.489 352 G N 0.599 108.987 108.800 -0.686 0.000 3.206 352 G HA2 0.487 4.144 3.960 -0.505 0.000 0.146 352 G HA3 0.487 4.144 3.960 -0.505 0.000 0.146 352 G C -1.678 172.990 174.900 -0.385 0.000 1.214 352 G CA -0.437 44.192 45.100 -0.785 0.000 1.297 352 G HN 0.536 nan 8.290 nan 0.000 0.659 353 W N -0.002 121.030 121.300 -0.448 0.000 2.671 353 W HA 0.797 5.156 4.660 -0.502 0.000 0.360 353 W C -0.638 175.860 176.519 -0.035 0.000 1.128 353 W CA -1.420 55.814 57.345 -0.185 0.000 1.184 353 W CB 1.334 30.658 29.460 -0.226 0.000 1.415 353 W HN 0.258 nan 8.180 nan 0.000 0.604 354 V N 3.698 123.707 119.914 0.158 0.000 2.432 354 V HA 0.608 4.425 4.120 -0.505 0.000 0.271 354 V C 0.933 177.119 176.094 0.154 0.000 1.046 354 V CA 0.908 63.263 62.300 0.092 0.000 0.945 354 V CB -0.041 31.827 31.823 0.075 0.000 0.992 354 V HN 1.274 nan 8.190 nan 0.000 0.471 355 G N 6.139 114.991 108.800 0.086 0.000 2.593 355 G HA2 -0.219 3.438 3.960 -0.505 0.000 0.237 355 G HA3 -0.219 3.438 3.960 -0.505 0.000 0.237 355 G C 0.494 175.486 174.900 0.153 0.000 1.312 355 G CA 0.426 45.588 45.100 0.104 0.000 0.896 355 G HN 0.594 nan 8.290 nan 0.000 0.574 356 R N -1.341 119.243 120.500 0.140 0.000 2.023 356 R HA 0.346 4.383 4.340 -0.505 0.000 0.217 356 R C 2.383 178.629 176.300 -0.090 0.000 1.255 356 R CA 1.747 57.863 56.100 0.026 0.000 0.981 356 R CB -0.297 29.993 30.300 -0.018 0.000 0.853 356 R HN 0.415 nan 8.270 nan 0.000 0.463 357 F N 0.304 120.371 119.950 0.195 0.000 2.727 357 F HA 0.254 4.478 4.527 -0.505 0.000 0.302 357 F C 0.414 176.252 175.800 0.063 0.000 1.107 357 F CA -0.423 57.645 58.000 0.113 0.000 1.277 357 F CB 0.577 39.661 39.000 0.140 0.000 1.079 357 F HN -0.011 nan 8.300 nan 0.000 0.594 358 R N -0.805 119.853 120.500 0.264 0.000 2.663 358 R HA 0.452 4.489 4.340 -0.505 0.000 0.267 358 R C -3.287 173.109 176.300 0.160 0.000 1.038 358 R CA -2.083 54.121 56.100 0.173 0.000 0.886 358 R CB 0.232 30.624 30.300 0.155 0.000 1.249 358 R HN -0.368 nan 8.270 nan 0.000 0.463 359 P HA -0.024 nan 4.420 nan 0.000 0.265 359 P C -0.339 177.016 177.300 0.091 0.000 1.187 359 P CA 0.134 63.289 63.100 0.092 0.000 0.766 359 P CB 0.461 32.195 31.700 0.057 0.000 0.820 360 A N 3.523 126.401 122.820 0.097 0.000 2.445 360 A HA 0.121 4.138 4.320 -0.505 0.000 0.242 360 A C 0.641 178.271 177.584 0.077 0.000 1.075 360 A CA -0.299 51.808 52.037 0.116 0.000 0.777 360 A CB -0.128 18.956 19.000 0.139 0.000 1.013 360 A HN 0.508 nan 8.150 nan 0.000 0.493 361 E N 2.034 122.289 120.200 0.092 0.000 2.373 361 E HA 0.261 4.308 4.350 -0.505 0.000 0.267 361 E C -2.389 174.217 176.600 0.010 0.000 1.032 361 E CA -1.636 54.761 56.400 -0.005 0.000 0.889 361 E CB 0.119 29.784 29.700 -0.057 0.000 0.984 361 E HN 0.436 nan 8.360 nan 0.000 0.425 362 P HA 0.131 nan 4.420 nan 0.000 0.280 362 P C -0.626 176.565 177.300 -0.182 0.000 1.244 362 P CA 0.027 62.988 63.100 -0.230 0.000 0.784 362 P CB 0.663 31.872 31.700 -0.818 0.000 0.913 363 H N 2.973 122.046 119.070 0.004 0.000 2.718 363 H HA 0.279 4.533 4.556 -0.505 0.000 0.295 363 H C -0.202 175.232 175.328 0.176 0.000 1.051 363 H CA -0.347 55.790 56.048 0.148 0.000 1.260 363 H CB 0.243 30.114 29.762 0.181 0.000 1.403 363 H HN 0.310 nan 8.280 nan 0.000 0.488 364 F N 1.646 121.760 119.950 0.274 0.000 2.371 364 F HA 0.080 4.304 4.527 -0.505 0.000 0.329 364 F C 1.568 177.538 175.800 0.284 0.000 1.107 364 F CA -0.551 57.621 58.000 0.287 0.000 1.137 364 F CB 0.948 40.048 39.000 0.168 0.000 1.214 364 F HN 0.348 nan 8.300 nan 0.000 0.536 365 T N -1.444 113.387 114.554 0.462 0.000 2.813 365 T HA 0.078 4.126 4.350 -0.505 0.000 0.297 365 T C 1.252 176.128 174.700 0.294 0.000 1.036 365 T CA -0.571 61.736 62.100 0.344 0.000 1.044 365 T CB 0.968 70.019 68.868 0.305 0.000 0.993 365 T HN 0.547 nan 8.240 nan 0.000 0.535 366 S N 1.345 117.178 115.700 0.221 0.000 2.374 366 S HA -0.188 3.979 4.470 -0.505 0.000 0.227 366 S C 1.768 176.473 174.600 0.174 0.000 1.037 366 S CA 2.010 60.319 58.200 0.182 0.000 1.024 366 S CB -0.770 62.516 63.200 0.143 0.000 0.861 366 S HN 1.001 nan 8.310 nan 0.000 0.456 367 D N -0.268 120.235 120.400 0.172 0.000 2.178 367 D HA 0.145 4.483 4.640 -0.505 0.000 0.202 367 D C 1.370 177.776 176.300 0.178 0.000 0.974 367 D CA 0.968 55.061 54.000 0.155 0.000 0.841 367 D CB -0.632 40.251 40.800 0.138 0.000 0.953 367 D HN 0.448 nan 8.370 nan 0.000 0.478 368 G N -0.074 108.869 108.800 0.238 0.000 2.141 368 G HA2 -0.346 3.311 3.960 -0.505 0.000 0.242 368 G HA3 -0.346 3.311 3.960 -0.505 0.000 0.242 368 G C 0.626 175.711 174.900 0.308 0.000 0.982 368 G CA 0.275 45.547 45.100 0.285 0.000 0.662 368 G HN 0.455 nan 8.290 nan 0.000 0.527 369 N N -0.168 118.685 118.700 0.255 0.000 2.353 369 N HA 0.237 4.674 4.740 -0.505 0.000 0.185 369 N C 0.857 176.491 175.510 0.206 0.000 1.098 369 N CA 0.667 53.844 53.050 0.211 0.000 0.872 369 N CB 0.198 38.773 38.487 0.146 0.000 0.970 369 N HN 0.666 nan 8.380 nan 0.000 0.467 370 S N -0.131 115.716 115.700 0.244 0.000 2.607 370 S HA 0.661 4.828 4.470 -0.505 0.000 0.273 370 S C -1.143 173.544 174.600 0.144 0.000 1.148 370 S CA -0.973 57.283 58.200 0.094 0.000 0.833 370 S CB 1.532 64.755 63.200 0.039 0.000 1.130 370 S HN 0.161 nan 8.310 nan 0.000 0.470 371 F N -1.410 118.366 119.950 -0.290 0.000 2.668 371 F HA 0.819 5.043 4.527 -0.504 0.000 0.309 371 F C -2.286 173.314 175.800 -0.334 0.000 1.117 371 F CA -1.459 56.294 58.000 -0.412 0.000 0.951 371 F CB 0.736 39.011 39.000 -1.208 0.000 1.323 371 F HN 0.586 nan 8.300 nan 0.000 0.451 372 Y N 1.595 121.967 120.300 0.119 0.000 2.352 372 Y HA 0.641 4.888 4.550 -0.505 0.000 0.339 372 Y C -0.217 175.810 175.900 0.212 0.000 0.992 372 Y CA -0.791 57.371 58.100 0.103 0.000 1.100 372 Y CB 2.014 40.513 38.460 0.065 0.000 1.192 372 Y HN 0.687 nan 8.280 nan 0.000 0.458 373 K N 3.530 124.123 120.400 0.322 0.000 2.501 373 K HA 0.535 4.552 4.320 -0.505 0.000 0.252 373 K C -1.462 175.273 176.600 0.224 0.000 0.934 373 K CA -0.676 55.782 56.287 0.286 0.000 0.797 373 K CB 1.497 34.144 32.500 0.245 0.000 1.270 373 K HN 0.692 nan 8.250 nan 0.000 0.431 374 I N 6.449 127.125 120.570 0.176 0.000 2.505 374 I HA 0.148 4.015 4.170 -0.505 0.000 0.287 374 I C 0.297 176.507 176.117 0.155 0.000 1.104 374 I CA 0.023 61.409 61.300 0.143 0.000 1.387 374 I CB 0.039 38.105 38.000 0.110 0.000 1.404 374 I HN 0.464 nan 8.210 nan 0.000 0.528 375 I N 1.657 122.345 120.570 0.197 0.000 3.239 375 I HA 0.563 4.430 4.170 -0.505 0.000 0.314 375 I C -0.272 175.973 176.117 0.213 0.000 1.126 375 I CA -0.843 60.575 61.300 0.198 0.000 0.973 375 I CB 2.030 40.172 38.000 0.237 0.000 1.252 375 I HN 0.186 nan 8.210 nan 0.000 0.463 376 S N 2.018 117.799 115.700 0.136 0.000 2.523 376 S HA 0.261 4.429 4.470 -0.505 0.000 0.275 376 S C -0.134 174.523 174.600 0.096 0.000 1.281 376 S CA -0.672 57.562 58.200 0.057 0.000 1.050 376 S CB -0.148 63.034 63.200 -0.029 0.000 0.937 376 S HN 0.834 nan 8.310 nan 0.000 0.492 377 N N 2.356 120.998 118.700 -0.095 0.000 2.431 377 N HA 0.222 4.659 4.740 -0.505 0.000 0.289 377 N C 0.579 175.961 175.510 -0.212 0.000 1.277 377 N CA -0.789 52.011 53.050 -0.417 0.000 0.972 377 N CB 0.521 38.400 38.487 -1.013 0.000 1.143 377 N HN 0.418 nan 8.380 nan 0.000 0.578 378 E N 0.187 120.238 120.200 -0.247 0.000 2.048 378 E HA -0.301 3.746 4.350 -0.505 0.000 0.202 378 E C 1.304 177.851 176.600 -0.087 0.000 1.021 378 E CA 2.253 58.576 56.400 -0.128 0.000 0.825 378 E CB -0.346 29.276 29.700 -0.129 0.000 0.756 378 E HN 0.767 nan 8.360 nan 0.000 0.454 379 E N 0.108 120.268 120.200 -0.068 0.000 2.512 379 E HA 0.054 4.101 4.350 -0.505 0.000 0.195 379 E C 0.756 177.353 176.600 -0.004 0.000 1.083 379 E CA 0.397 56.812 56.400 0.025 0.000 0.873 379 E CB -0.014 29.755 29.700 0.114 0.000 0.897 379 E HN 0.325 nan 8.360 nan 0.000 0.514 380 G N 0.697 109.442 108.800 -0.092 0.000 2.160 380 G HA2 -0.296 3.361 3.960 -0.505 0.000 0.244 380 G HA3 -0.296 3.361 3.960 -0.505 0.000 0.244 380 G C -0.532 174.142 174.900 -0.377 0.000 1.022 380 G CA 0.133 45.096 45.100 -0.229 0.000 0.741 380 G HN 0.335 nan 8.290 nan 0.000 0.508 381 Y N 0.113 120.325 120.300 -0.146 0.000 2.387 381 Y HA 0.544 4.791 4.550 -0.504 0.000 0.336 381 Y C 0.862 176.640 175.900 -0.203 0.000 1.067 381 Y CA -0.954 57.044 58.100 -0.170 0.000 1.114 381 Y CB 1.213 39.590 38.460 -0.137 0.000 1.208 381 Y HN -0.114 nan 8.280 nan 0.000 0.458 382 K N 4.586 124.877 120.400 -0.180 0.000 2.316 382 K HA 0.233 4.250 4.320 -0.505 0.000 0.289 382 K C -0.709 175.623 176.600 -0.447 0.000 1.070 382 K CA 0.010 56.187 56.287 -0.183 0.000 0.928 382 K CB 0.169 32.611 32.500 -0.097 0.000 1.039 382 K HN 0.747 nan 8.250 nan 0.000 0.480 383 H N 1.374 120.434 119.070 -0.017 0.000 2.985 383 H HA 0.355 4.609 4.556 -0.504 0.000 0.360 383 H C -0.078 175.289 175.328 0.065 0.000 1.221 383 H CA -0.917 55.091 56.048 -0.066 0.000 1.121 383 H CB 1.579 31.220 29.762 -0.201 0.000 1.854 383 H HN 0.339 nan 8.280 nan 0.000 0.551 384 I N 1.388 122.017 120.570 0.099 0.000 2.452 384 I HA 0.007 3.875 4.170 -0.505 0.000 0.287 384 I C 0.451 176.583 176.117 0.025 0.000 1.079 384 I CA 0.234 61.559 61.300 0.042 0.000 1.387 384 I CB 0.207 38.151 38.000 -0.093 0.000 1.404 384 I HN 0.168 nan 8.210 nan 0.000 0.522 385 c N 6.924 125.473 118.600 -0.085 0.000 2.329 385 c HA 0.253 4.520 4.570 -0.505 0.000 0.329 385 c C 0.259 174.112 174.090 -0.394 0.000 1.275 385 c CA -0.479 55.550 56.329 -0.499 0.000 1.726 385 c CB 0.279 42.204 42.510 -0.975 0.000 2.291 385 c HN 0.732 nan 8.230 nan 0.000 0.514 386 H N 4.846 123.540 119.070 -0.627 0.000 2.846 386 H HA 0.334 4.587 4.556 -0.505 0.000 0.278 386 H C -1.089 173.717 175.328 -0.869 0.000 1.117 386 H CA -0.077 55.504 56.048 -0.777 0.000 1.406 386 H CB 0.177 29.587 29.762 -0.587 0.000 1.445 386 H HN 0.587 nan 8.280 nan 0.000 0.469 387 F N 2.970 122.165 119.950 -1.260 0.000 2.399 387 F HA 0.135 4.360 4.527 -0.504 0.000 0.334 387 F C 0.573 175.644 175.800 -1.215 0.000 1.097 387 F CA -0.600 56.605 58.000 -1.324 0.000 1.076 387 F CB 1.602 39.366 39.000 -2.060 0.000 1.162 387 F HN 0.548 nan 8.300 nan 0.000 0.495 388 Q N 0.721 120.181 119.800 -0.566 0.000 2.235 388 Q HA 0.257 4.294 4.340 -0.505 0.000 0.250 388 Q C 0.854 176.869 176.000 0.024 0.000 0.909 388 Q CA -0.002 55.638 55.803 -0.273 0.000 0.910 388 Q CB 1.693 30.331 28.738 -0.167 0.000 1.223 388 Q HN 0.774 nan 8.270 nan 0.000 0.432 389 T N 1.386 116.047 114.554 0.178 0.000 2.788 389 T HA -0.128 3.919 4.350 -0.505 0.000 0.268 389 T C 0.289 175.223 174.700 0.389 0.000 1.044 389 T CA 1.642 64.003 62.100 0.434 0.000 1.139 389 T CB -0.070 69.037 68.868 0.398 0.000 0.867 389 T HN 0.766 nan 8.240 nan 0.000 0.454 390 D N 0.088 120.613 120.400 0.209 0.000 2.368 390 D HA 0.113 4.450 4.640 -0.505 0.000 0.218 390 D C 0.352 176.699 176.300 0.078 0.000 1.112 390 D CA -0.094 53.974 54.000 0.114 0.000 0.834 390 D CB 0.223 41.068 40.800 0.075 0.000 0.953 390 D HN 0.159 nan 8.370 nan 0.000 0.505 391 K N -0.039 120.441 120.400 0.132 0.000 2.385 391 K HA 0.318 4.335 4.320 -0.505 0.000 0.248 391 K C 0.740 177.434 176.600 0.156 0.000 0.955 391 K CA -0.459 55.874 56.287 0.077 0.000 0.816 391 K CB 2.189 34.694 32.500 0.008 0.000 1.250 391 K HN -0.013 nan 8.250 nan 0.000 0.434 392 S N 0.521 116.269 115.700 0.080 0.000 2.387 392 S HA -0.097 4.071 4.470 -0.505 0.000 0.221 392 S C 0.519 175.171 174.600 0.086 0.000 1.041 392 S CA 0.338 58.615 58.200 0.128 0.000 0.959 392 S CB -0.555 62.673 63.200 0.047 0.000 0.843 392 S HN 0.749 nan 8.310 nan 0.000 0.488 393 N N 1.807 120.484 118.700 -0.038 0.000 2.497 393 N HA 0.366 4.803 4.740 -0.505 0.000 0.268 393 N C 0.051 175.355 175.510 -0.343 0.000 1.171 393 N CA -0.328 52.630 53.050 -0.152 0.000 0.948 393 N CB 0.698 39.114 38.487 -0.117 0.000 1.069 393 N HN 0.612 nan 8.380 nan 0.000 0.460 394 c N 0.474 118.720 118.600 -0.589 0.000 2.630 394 c HA 0.751 5.018 4.570 -0.505 0.000 0.346 394 c C -0.176 173.490 174.090 -0.706 0.000 1.245 394 c CA -0.731 55.027 56.329 -0.953 0.000 1.804 394 c CB 1.124 42.414 42.510 -2.032 0.000 2.279 394 c HN 0.732 nan 8.230 nan 0.000 0.498 395 T N 2.014 116.176 114.554 -0.653 0.000 2.786 395 T HA 0.482 4.529 4.350 -0.505 0.000 0.283 395 T C -0.740 173.695 174.700 -0.442 0.000 0.992 395 T CA 0.134 62.004 62.100 -0.384 0.000 0.954 395 T CB 0.353 69.141 68.868 -0.135 0.000 0.934 395 T HN 0.488 nan 8.240 nan 0.000 0.440 396 F N 3.143 122.941 119.950 -0.254 0.000 2.504 396 F HA 0.243 4.467 4.527 -0.505 0.000 0.369 396 F C 1.621 177.213 175.800 -0.347 0.000 1.082 396 F CA -0.815 57.025 58.000 -0.267 0.000 1.216 396 F CB 0.363 39.219 39.000 -0.239 0.000 1.108 396 F HN 0.602 nan 8.300 nan 0.000 0.554 397 I N -0.774 119.639 120.570 -0.262 0.000 3.941 397 I HA 0.221 4.088 4.170 -0.505 0.000 0.321 397 I C 0.209 176.140 176.117 -0.309 0.000 1.284 397 I CA 0.124 61.061 61.300 -0.604 0.000 1.226 397 I CB 0.063 37.549 38.000 -0.857 0.000 1.045 397 I HN 0.456 nan 8.210 nan 0.000 0.420 398 T N 0.409 114.849 114.554 -0.191 0.000 2.900 398 T HA 0.685 4.732 4.350 -0.505 0.000 0.295 398 T C -0.689 173.646 174.700 -0.609 0.000 1.044 398 T CA -0.763 61.215 62.100 -0.203 0.000 0.995 398 T CB 2.390 71.228 68.868 -0.050 0.000 1.072 398 T HN 0.440 nan 8.240 nan 0.000 0.473 399 K N 0.101 120.009 120.400 -0.820 0.000 2.556 399 K HA 0.818 4.835 4.320 -0.505 0.000 0.274 399 K C -0.502 175.476 176.600 -1.037 0.000 0.966 399 K CA -1.085 54.501 56.287 -1.168 0.000 0.865 399 K CB 1.747 33.903 32.500 -0.572 0.000 1.444 399 K HN 1.457 nan 8.250 nan 0.000 0.433 400 G N -0.404 107.803 108.800 -0.989 0.000 2.351 400 G HA2 0.312 3.970 3.960 -0.505 0.000 0.353 400 G HA3 0.312 3.970 3.960 -0.505 0.000 0.353 400 G C -1.055 173.322 174.900 -0.872 0.000 1.358 400 G CA -0.482 44.199 45.100 -0.698 0.000 0.995 400 G HN 0.833 nan 8.290 nan 0.000 0.611 401 A N 0.785 123.240 122.820 -0.609 0.000 3.033 401 A HA 0.591 4.609 4.320 -0.505 0.000 0.250 401 A C 0.414 177.775 177.584 -0.373 0.000 1.633 401 A CA 0.750 52.224 52.037 -0.938 0.000 1.290 401 A CB -1.214 17.540 19.000 -0.409 0.000 1.048 401 A HN 1.616 nan 8.150 nan 0.000 0.648 402 W N -1.207 119.928 121.300 -0.275 0.000 2.961 402 W HA 0.675 5.032 4.660 -0.505 0.000 0.368 402 W C -1.116 175.411 176.519 0.014 0.000 1.213 402 W CA -0.824 56.528 57.345 0.012 0.000 1.173 402 W CB 0.515 29.976 29.460 0.002 0.000 1.487 402 W HN 0.143 nan 8.180 nan 0.000 0.585 403 E N 1.123 121.540 120.200 0.361 0.000 2.248 403 E HA 0.377 4.424 4.350 -0.505 0.000 0.267 403 E C -0.984 175.767 176.600 0.251 0.000 0.877 403 E CA -1.097 55.342 56.400 0.065 0.000 0.759 403 E CB 3.424 33.208 29.700 0.140 0.000 1.182 403 E HN 0.161 nan 8.360 nan 0.000 0.418 404 V N 4.676 124.628 119.914 0.064 0.000 2.479 404 V HA -0.039 3.778 4.120 -0.505 0.000 0.281 404 V C 1.459 177.670 176.094 0.195 0.000 1.031 404 V CA 0.110 62.536 62.300 0.210 0.000 1.038 404 V CB 0.162 32.016 31.823 0.051 0.000 0.981 404 V HN 0.697 nan 8.190 nan 0.000 0.478 405 I N 3.439 124.151 120.570 0.237 0.000 2.333 405 I HA 0.205 4.072 4.170 -0.505 0.000 0.246 405 I C 1.151 177.397 176.117 0.215 0.000 1.106 405 I CA 1.269 62.704 61.300 0.226 0.000 1.411 405 I CB -1.011 37.065 38.000 0.127 0.000 1.082 405 I HN 0.754 nan 8.210 nan 0.000 0.420 406 G N 0.502 109.423 108.800 0.201 0.000 2.616 406 G HA2 0.522 4.179 3.960 -0.505 0.000 0.294 406 G HA3 0.522 4.179 3.960 -0.505 0.000 0.294 406 G C -1.278 173.704 174.900 0.136 0.000 1.489 406 G CA -0.616 44.587 45.100 0.172 0.000 0.836 406 G HN -0.027 nan 8.290 nan 0.000 0.527 407 I N 1.837 122.406 120.570 -0.001 0.000 2.337 407 I HA 0.212 4.079 4.170 -0.505 0.000 0.291 407 I C 1.050 177.069 176.117 -0.162 0.000 1.046 407 I CA -0.472 60.720 61.300 -0.180 0.000 1.324 407 I CB 1.582 39.234 38.000 -0.579 0.000 1.409 407 I HN 0.557 nan 8.210 nan 0.000 0.494 408 E N 4.875 125.050 120.200 -0.041 0.000 2.045 408 E HA 0.197 4.244 4.350 -0.505 0.000 0.190 408 E C 0.375 176.910 176.600 -0.110 0.000 0.968 408 E CA 0.545 56.948 56.400 0.005 0.000 0.813 408 E CB 0.394 30.145 29.700 0.085 0.000 0.780 408 E HN 0.703 nan 8.360 nan 0.000 0.455 409 A N 0.558 123.191 122.820 -0.313 0.000 2.515 409 A HA 0.662 4.679 4.320 -0.505 0.000 0.296 409 A C -1.591 175.935 177.584 -0.097 0.000 1.094 409 A CA -0.583 51.255 52.037 -0.332 0.000 0.718 409 A CB 1.584 19.984 19.000 -1.001 0.000 1.307 409 A HN 0.108 nan 8.150 nan 0.000 0.408 410 L N 0.990 122.214 121.223 0.002 0.000 2.464 410 L HA 0.783 4.820 4.340 -0.505 0.000 0.266 410 L C -0.007 176.920 176.870 0.095 0.000 0.965 410 L CA 0.246 55.115 54.840 0.049 0.000 0.833 410 L CB 2.284 44.380 42.059 0.062 0.000 1.296 410 L HN 1.050 nan 8.230 nan 0.000 0.405 411 T N -0.284 114.335 114.554 0.108 0.000 2.841 411 T HA 0.355 4.402 4.350 -0.505 0.000 0.276 411 T C 0.979 175.703 174.700 0.039 0.000 1.003 411 T CA 0.020 62.181 62.100 0.101 0.000 0.995 411 T CB 1.184 70.149 68.868 0.161 0.000 1.260 411 T HN 0.663 nan 8.240 nan 0.000 0.581 412 S N -0.377 115.335 115.700 0.020 0.000 2.423 412 S HA -0.113 4.054 4.470 -0.505 0.000 0.231 412 S C 0.883 175.415 174.600 -0.113 0.000 1.014 412 S CA 1.657 59.850 58.200 -0.012 0.000 0.965 412 S CB -0.823 62.376 63.200 -0.001 0.000 0.785 412 S HN 0.697 nan 8.310 nan 0.000 0.495 413 D N -0.686 119.570 120.400 -0.239 0.000 2.369 413 D HA 0.246 4.583 4.640 -0.505 0.000 0.231 413 D C -0.310 175.616 176.300 -0.625 0.000 0.967 413 D CA 0.741 54.403 54.000 -0.563 0.000 0.905 413 D CB 0.188 40.400 40.800 -0.980 0.000 1.044 413 D HN 0.525 nan 8.370 nan 0.000 0.487 414 Y N 0.056 120.298 120.300 -0.097 0.000 2.485 414 Y HA 0.469 4.716 4.550 -0.505 0.000 0.345 414 Y C -0.501 175.212 175.900 -0.312 0.000 0.998 414 Y CA -1.372 56.574 58.100 -0.258 0.000 1.059 414 Y CB 1.871 40.069 38.460 -0.436 0.000 1.234 414 Y HN -0.187 nan 8.280 nan 0.000 0.461 415 L N 3.823 124.909 121.223 -0.229 0.000 2.305 415 L HA 0.484 4.521 4.340 -0.505 0.000 0.284 415 L C -1.793 174.918 176.870 -0.264 0.000 1.013 415 L CA -0.971 53.722 54.840 -0.245 0.000 0.819 415 L CB 0.331 42.189 42.059 -0.334 0.000 1.227 415 L HN 0.664 nan 8.230 nan 0.000 0.417 416 Y N 6.047 126.257 120.300 -0.149 0.000 2.330 416 Y HA 0.536 4.783 4.550 -0.505 0.000 0.336 416 Y C -0.103 175.761 175.900 -0.061 0.000 1.036 416 Y CA -0.349 57.628 58.100 -0.205 0.000 1.125 416 Y CB 1.289 39.398 38.460 -0.585 0.000 1.194 416 Y HN 0.570 nan 8.280 nan 0.000 0.469 417 Y N 0.614 120.935 120.300 0.035 0.000 2.625 417 Y HA 0.780 5.027 4.550 -0.505 0.000 0.338 417 Y C -1.792 174.181 175.900 0.121 0.000 1.123 417 Y CA -1.777 56.351 58.100 0.047 0.000 1.046 417 Y CB 1.230 39.705 38.460 0.025 0.000 1.299 417 Y HN 0.300 nan 8.280 nan 0.000 0.464 418 I N 3.171 123.889 120.570 0.247 0.000 2.404 418 I HA 0.565 4.432 4.170 -0.505 0.000 0.293 418 I C -0.248 176.034 176.117 0.276 0.000 0.992 418 I CA -0.327 61.074 61.300 0.167 0.000 1.149 418 I CB 1.655 39.722 38.000 0.112 0.000 1.315 418 I HN 0.888 nan 8.210 nan 0.000 0.446 419 S N 4.219 120.054 115.700 0.224 0.000 2.685 419 S HA 0.458 4.625 4.470 -0.505 0.000 0.282 419 S C -0.403 174.248 174.600 0.084 0.000 1.159 419 S CA -0.779 57.539 58.200 0.196 0.000 0.833 419 S CB 1.987 65.290 63.200 0.172 0.000 1.151 419 S HN 0.614 nan 8.310 nan 0.000 0.485 420 N N -0.170 118.574 118.700 0.073 0.000 2.380 420 N HA 0.142 4.579 4.740 -0.505 0.000 0.255 420 N C 0.489 175.972 175.510 -0.044 0.000 1.158 420 N CA -0.105 52.952 53.050 0.012 0.000 0.878 420 N CB 0.316 38.811 38.487 0.013 0.000 1.138 420 N HN 0.848 nan 8.380 nan 0.000 0.509 421 E N 0.338 120.366 120.200 -0.286 0.000 2.072 421 E HA -0.229 3.818 4.350 -0.505 0.000 0.191 421 E C 0.016 176.477 176.600 -0.232 0.000 0.985 421 E CA 0.656 56.657 56.400 -0.664 0.000 0.801 421 E CB -0.255 28.539 29.700 -1.510 0.000 0.750 421 E HN 0.503 nan 8.360 nan 0.000 0.452 422 H N 0.970 119.968 119.070 -0.121 0.000 3.070 422 H HA 0.042 4.295 4.556 -0.505 0.000 0.313 422 H C -0.106 175.198 175.328 -0.041 0.000 0.997 422 H CA 1.178 57.199 56.048 -0.045 0.000 1.438 422 H CB 0.236 29.992 29.762 -0.010 0.000 1.455 422 H HN 0.208 nan 8.280 nan 0.000 0.575 423 K N 3.136 123.260 120.400 -0.459 0.000 3.193 423 K HA -0.242 3.776 4.320 -0.505 0.000 0.294 423 K C 0.965 177.527 176.600 -0.062 0.000 1.185 423 K CA 0.906 57.024 56.287 -0.281 0.000 0.866 423 K CB -1.419 30.907 32.500 -0.289 0.000 1.227 423 K HN 1.122 nan 8.250 nan 0.000 0.467 424 G N 0.726 109.503 108.800 -0.039 0.000 2.187 424 G HA2 -0.356 3.302 3.960 -0.505 0.000 0.261 424 G HA3 -0.356 3.302 3.960 -0.505 0.000 0.261 424 G C 0.048 174.981 174.900 0.055 0.000 1.000 424 G CA 0.878 46.016 45.100 0.064 0.000 0.718 424 G HN 0.474 nan 8.290 nan 0.000 0.519 425 M N -0.911 118.609 119.600 -0.133 0.000 2.088 425 M HA 0.508 4.685 4.480 -0.505 0.000 0.346 425 M C -1.509 174.553 176.300 -0.397 0.000 1.111 425 M CA -2.221 52.763 55.300 -0.527 0.000 1.017 425 M CB 1.952 34.158 32.600 -0.657 0.000 1.568 425 M HN -0.087 nan 8.290 nan 0.000 0.445 426 P HA -0.002 nan 4.420 nan 0.000 0.223 426 P C 1.105 178.303 177.300 -0.170 0.000 1.151 426 P CA 1.280 64.275 63.100 -0.175 0.000 0.787 426 P CB -0.008 31.656 31.700 -0.061 0.000 0.788 427 G N -0.406 108.234 108.800 -0.266 0.000 3.383 427 G HA2 0.354 4.011 3.960 -0.505 0.000 0.251 427 G HA3 0.354 4.011 3.960 -0.505 0.000 0.251 427 G C 0.528 175.446 174.900 0.032 0.000 1.203 427 G CA 0.001 45.054 45.100 -0.079 0.000 0.852 427 G HN 0.422 nan 8.290 nan 0.000 0.531 428 G N -0.154 108.597 108.800 -0.081 0.000 2.498 428 G HA2 0.677 4.334 3.960 -0.505 0.000 0.312 428 G HA3 0.677 4.334 3.960 -0.505 0.000 0.312 428 G C -0.870 173.897 174.900 -0.222 0.000 1.230 428 G CA -0.850 44.215 45.100 -0.059 0.000 0.968 428 G HN 0.127 nan 8.290 nan 0.000 0.481 429 R N 1.076 121.391 120.500 -0.308 0.000 2.686 429 R HA 0.507 4.545 4.340 -0.505 0.000 0.283 429 R C -1.266 175.002 176.300 -0.054 0.000 0.978 429 R CA -0.901 55.032 56.100 -0.278 0.000 0.897 429 R CB 2.372 32.329 30.300 -0.572 0.000 1.192 429 R HN 0.584 nan 8.270 nan 0.000 0.457 430 N N 1.260 119.942 118.700 -0.030 0.000 2.396 430 N HA 0.302 4.739 4.740 -0.505 0.000 0.275 430 N C -1.426 173.922 175.510 -0.270 0.000 1.218 430 N CA -0.797 52.144 53.050 -0.182 0.000 0.812 430 N CB 2.718 40.995 38.487 -0.350 0.000 1.592 430 N HN 0.254 nan 8.380 nan 0.000 0.480 431 L N 2.012 122.934 121.223 -0.502 0.000 2.305 431 L HA 0.460 4.498 4.340 -0.505 0.000 0.281 431 L C -1.413 175.043 176.870 -0.690 0.000 1.085 431 L CA 0.056 54.631 54.840 -0.442 0.000 0.813 431 L CB -0.030 41.778 42.059 -0.420 0.000 1.157 431 L HN 0.420 nan 8.230 nan 0.000 0.436 432 Y N 4.182 124.140 120.300 -0.570 0.000 2.462 432 Y HA 0.602 4.849 4.550 -0.505 0.000 0.346 432 Y C -0.248 175.312 175.900 -0.566 0.000 0.976 432 Y CA -0.744 56.959 58.100 -0.663 0.000 1.044 432 Y CB 1.703 39.526 38.460 -1.061 0.000 1.230 432 Y HN 0.497 nan 8.280 nan 0.000 0.455 433 R N 3.640 123.995 120.500 -0.242 0.000 2.480 433 R HA 0.677 4.714 4.340 -0.505 0.000 0.306 433 R C -1.819 174.405 176.300 -0.126 0.000 0.958 433 R CA -0.697 55.196 56.100 -0.344 0.000 0.861 433 R CB 1.283 31.269 30.300 -0.523 0.000 1.171 433 R HN 0.882 nan 8.270 nan 0.000 0.445 434 I N 2.879 123.428 120.570 -0.035 0.000 2.433 434 I HA 0.256 4.123 4.170 -0.505 0.000 0.292 434 I C -0.567 175.608 176.117 0.097 0.000 1.001 434 I CA -0.657 60.703 61.300 0.101 0.000 1.119 434 I CB 1.917 40.041 38.000 0.206 0.000 1.289 434 I HN 0.673 nan 8.210 nan 0.000 0.438 435 Q N 4.647 124.535 119.800 0.147 0.000 2.332 435 Q HA 0.142 4.179 4.340 -0.505 0.000 0.263 435 Q C 0.204 176.227 176.000 0.038 0.000 0.979 435 Q CA -0.467 55.403 55.803 0.112 0.000 0.885 435 Q CB 1.295 30.089 28.738 0.093 0.000 1.218 435 Q HN 0.725 nan 8.270 nan 0.000 0.405 436 L N 3.504 124.690 121.223 -0.061 0.000 2.240 436 L HA -0.117 3.920 4.340 -0.505 0.000 0.211 436 L C 1.490 178.244 176.870 -0.193 0.000 1.106 436 L CA 1.484 56.301 54.840 -0.039 0.000 0.793 436 L CB -0.883 41.134 42.059 -0.069 0.000 0.927 436 L HN 0.734 nan 8.230 nan 0.000 0.446 437 N N -2.392 116.181 118.700 -0.212 0.000 2.424 437 N HA -0.028 4.409 4.740 -0.505 0.000 0.178 437 N C 0.049 175.369 175.510 -0.315 0.000 1.060 437 N CA 0.275 53.176 53.050 -0.248 0.000 0.901 437 N CB 0.131 38.522 38.487 -0.161 0.000 0.979 437 N HN 0.047 nan 8.380 nan 0.000 0.451 438 D N -0.683 119.549 120.400 -0.280 0.000 2.479 438 D HA 0.109 4.446 4.640 -0.505 0.000 0.246 438 D C -0.616 175.626 176.300 -0.097 0.000 1.336 438 D CA -0.583 53.285 54.000 -0.220 0.000 0.967 438 D CB 0.495 41.242 40.800 -0.089 0.000 1.275 438 D HN -0.038 nan 8.370 nan 0.000 0.577 439 Y N 1.205 121.506 120.300 0.001 0.000 2.583 439 Y HA -0.017 4.230 4.550 -0.504 0.000 0.293 439 Y C 2.312 178.228 175.900 0.027 0.000 1.157 439 Y CA 0.493 58.601 58.100 0.013 0.000 1.315 439 Y CB -0.325 38.140 38.460 0.009 0.000 1.021 439 Y HN 0.300 nan 8.280 nan 0.000 0.536 440 T N -0.956 113.679 114.554 0.134 0.000 2.851 440 T HA -0.093 3.954 4.350 -0.505 0.000 0.262 440 T C 1.010 175.761 174.700 0.086 0.000 1.043 440 T CA 0.614 62.770 62.100 0.093 0.000 1.140 440 T CB -0.068 68.830 68.868 0.051 0.000 0.872 440 T HN 0.062 nan 8.240 nan 0.000 0.446 441 K N 2.347 122.792 120.400 0.075 0.000 2.167 441 K HA 0.311 4.329 4.320 -0.505 0.000 0.275 441 K C -1.166 175.486 176.600 0.086 0.000 1.103 441 K CA -0.136 56.191 56.287 0.067 0.000 0.963 441 K CB 0.147 32.680 32.500 0.055 0.000 1.243 441 K HN 0.043 nan 8.250 nan 0.000 0.407 442 V N 3.914 123.881 119.914 0.087 0.000 2.407 442 V HA 0.320 4.137 4.120 -0.505 0.000 0.291 442 V C -0.518 175.617 176.094 0.069 0.000 1.018 442 V CA -0.372 61.989 62.300 0.101 0.000 0.842 442 V CB 1.626 33.547 31.823 0.163 0.000 0.996 442 V HN 0.720 nan 8.190 nan 0.000 0.426 443 T N 3.157 117.715 114.554 0.007 0.000 2.867 443 T HA 0.413 4.460 4.350 -0.505 0.000 0.282 443 T C -0.150 174.473 174.700 -0.129 0.000 1.000 443 T CA -0.549 61.520 62.100 -0.053 0.000 1.042 443 T CB 1.198 70.008 68.868 -0.096 0.000 0.973 443 T HN 0.777 nan 8.240 nan 0.000 0.465 444 C N 5.214 124.384 119.300 -0.217 0.000 2.246 444 C HA 0.461 4.618 4.460 -0.505 0.000 0.329 444 C C 1.520 176.236 174.990 -0.458 0.000 1.221 444 C CA -0.828 57.863 59.018 -0.545 0.000 1.697 444 C CB -2.050 25.312 27.740 -0.631 0.000 2.312 444 C HN 1.002 nan 8.230 nan 0.000 0.509 445 L N 4.543 125.473 121.223 -0.488 0.000 2.509 445 L HA 0.087 4.125 4.340 -0.505 0.000 0.222 445 L C 2.106 178.701 176.870 -0.457 0.000 1.123 445 L CA 0.807 55.429 54.840 -0.363 0.000 0.856 445 L CB -0.304 41.590 42.059 -0.275 0.000 0.985 445 L HN 0.835 nan 8.230 nan 0.000 0.456 446 S N -3.063 112.253 115.700 -0.639 0.000 2.554 446 S HA -0.003 4.164 4.470 -0.505 0.000 0.227 446 S C 1.868 176.114 174.600 -0.590 0.000 1.050 446 S CA -0.062 57.653 58.200 -0.808 0.000 0.927 446 S CB -0.352 62.014 63.200 -1.392 0.000 0.859 446 S HN 0.309 nan 8.310 nan 0.000 0.494 447 C N 2.049 120.996 119.300 -0.589 0.000 2.385 447 C HA 0.000 4.157 4.460 -0.505 0.000 0.275 447 C C 2.031 176.829 174.990 -0.319 0.000 1.207 447 C CA 1.355 60.009 59.018 -0.607 0.000 1.760 447 C CB -1.048 26.169 27.740 -0.872 0.000 2.051 447 C HN 0.625 nan 8.230 nan 0.000 0.467 448 E N -0.400 119.663 120.200 -0.229 0.000 2.585 448 E HA 0.265 4.313 4.350 -0.505 0.000 0.206 448 E C 1.353 177.917 176.600 -0.061 0.000 1.007 448 E CA -0.107 56.232 56.400 -0.102 0.000 1.028 448 E CB -0.024 29.629 29.700 -0.078 0.000 1.087 448 E HN 0.547 nan 8.360 nan 0.000 0.455 449 L N -0.534 120.655 121.223 -0.057 0.000 2.127 449 L HA 0.167 4.205 4.340 -0.505 0.000 0.203 449 L C 0.266 177.151 176.870 0.025 0.000 1.080 449 L CA 0.724 55.562 54.840 -0.004 0.000 0.768 449 L CB 0.166 42.237 42.059 0.021 0.000 0.924 449 L HN 0.026 nan 8.230 nan 0.000 0.444 450 N N -1.217 117.511 118.700 0.046 0.000 2.751 450 N HA 0.113 4.551 4.740 -0.505 0.000 0.234 450 N C -2.108 173.428 175.510 0.044 0.000 1.403 450 N CA -0.620 52.452 53.050 0.037 0.000 0.747 450 N CB 1.490 39.995 38.487 0.029 0.000 1.326 450 N HN -0.155 nan 8.380 nan 0.000 0.532 451 P HA -0.162 nan 4.420 nan 0.000 0.218 451 P C 0.352 177.688 177.300 0.060 0.000 1.148 451 P CA 1.435 64.573 63.100 0.063 0.000 0.822 451 P CB 0.518 32.258 31.700 0.067 0.000 0.784 452 E N -0.789 119.432 120.200 0.036 0.000 2.340 452 E HA 0.001 4.048 4.350 -0.505 0.000 0.194 452 E C 2.153 178.758 176.600 0.009 0.000 0.996 452 E CA 0.211 56.627 56.400 0.026 0.000 0.869 452 E CB -0.091 29.620 29.700 0.018 0.000 0.835 452 E HN 0.275 nan 8.360 nan 0.000 0.493 453 R N 0.157 120.654 120.500 -0.006 0.000 2.189 453 R HA 0.117 4.154 4.340 -0.505 0.000 0.203 453 R C -0.123 176.139 176.300 -0.063 0.000 1.012 453 R CA 0.413 56.489 56.100 -0.040 0.000 1.015 453 R CB 0.530 30.799 30.300 -0.052 0.000 0.938 453 R HN 0.012 nan 8.270 nan 0.000 0.472 454 c N 0.423 118.997 118.600 -0.042 0.000 2.478 454 c HA 0.396 4.663 4.570 -0.505 0.000 0.334 454 c C 0.348 174.433 174.090 -0.010 0.000 1.106 454 c CA -0.679 55.574 56.329 -0.127 0.000 1.363 454 c CB 1.470 43.863 42.510 -0.194 0.000 1.941 454 c HN 0.467 nan 8.230 nan 0.000 0.436 455 Q N 0.300 120.095 119.800 -0.007 0.000 2.211 455 Q HA 0.226 4.263 4.340 -0.505 0.000 0.242 455 Q C -0.638 175.427 176.000 0.108 0.000 0.825 455 Q CA 0.267 56.125 55.803 0.092 0.000 0.951 455 Q CB 1.044 29.841 28.738 0.098 0.000 1.130 455 Q HN 0.789 nan 8.270 nan 0.000 0.496 456 Y N 0.404 120.644 120.300 -0.099 0.000 2.334 456 Y HA 0.421 4.668 4.550 -0.504 0.000 0.336 456 Y C -1.400 174.427 175.900 -0.121 0.000 0.960 456 Y CA -0.838 57.239 58.100 -0.038 0.000 1.164 456 Y CB 0.734 39.203 38.460 0.015 0.000 1.155 456 Y HN -0.094 nan 8.280 nan 0.000 0.478 457 Y N 2.457 122.728 120.300 -0.049 0.000 2.462 457 Y HA 0.544 4.791 4.550 -0.504 0.000 0.346 457 Y C -0.188 175.747 175.900 0.058 0.000 0.976 457 Y CA -0.626 57.479 58.100 0.008 0.000 1.044 457 Y CB 2.425 40.821 38.460 -0.107 0.000 1.230 457 Y HN 0.482 nan 8.280 nan 0.000 0.455 458 S N 1.743 117.658 115.700 0.357 0.000 2.599 458 S HA 0.940 5.108 4.470 -0.505 0.000 0.287 458 S C -1.496 173.242 174.600 0.229 0.000 1.105 458 S CA -0.334 58.051 58.200 0.308 0.000 0.899 458 S CB 1.341 64.827 63.200 0.477 0.000 1.100 458 S HN 0.866 nan 8.310 nan 0.000 0.482 459 A N 1.506 124.448 122.820 0.204 0.000 2.515 459 A HA 0.799 4.817 4.320 -0.505 0.000 0.298 459 A C -0.881 176.833 177.584 0.218 0.000 1.059 459 A CA -0.598 51.526 52.037 0.144 0.000 0.698 459 A CB 1.853 20.874 19.000 0.035 0.000 1.289 459 A HN 0.814 nan 8.150 nan 0.000 0.404 460 S N 1.073 116.884 115.700 0.185 0.000 2.707 460 S HA 0.739 4.906 4.470 -0.505 0.000 0.303 460 S C -1.375 173.323 174.600 0.163 0.000 1.132 460 S CA -0.313 58.074 58.200 0.312 0.000 1.046 460 S CB -0.008 63.457 63.200 0.441 0.000 1.004 460 S HN 0.440 nan 8.310 nan 0.000 0.483 461 F N 2.942 122.879 119.950 -0.023 0.000 2.397 461 F HA 0.471 4.695 4.527 -0.505 0.000 0.331 461 F C 1.290 176.592 175.800 -0.831 0.000 1.090 461 F CA -0.366 57.440 58.000 -0.324 0.000 1.065 461 F CB 1.606 40.455 39.000 -0.252 0.000 1.184 461 F HN 0.643 nan 8.300 nan 0.000 0.499 462 S N 1.390 116.465 115.700 -1.041 0.000 2.596 462 S HA 0.039 4.206 4.470 -0.505 0.000 0.260 462 S C 1.113 175.543 174.600 -0.284 0.000 1.336 462 S CA -0.565 56.970 58.200 -1.107 0.000 0.993 462 S CB 0.371 63.033 63.200 -0.896 0.000 0.923 462 S HN 0.747 nan 8.310 nan 0.000 0.567 463 N N 0.748 119.405 118.700 -0.071 0.000 2.132 463 N HA -0.112 4.326 4.740 -0.505 0.000 0.191 463 N C 0.744 176.290 175.510 0.061 0.000 1.015 463 N CA 1.106 54.190 53.050 0.057 0.000 0.864 463 N CB -0.081 38.473 38.487 0.111 0.000 1.006 463 N HN 0.502 nan 8.380 nan 0.000 0.430 464 K N 0.128 120.560 120.400 0.054 0.000 2.455 464 K HA 0.238 4.255 4.320 -0.505 0.000 0.206 464 K C 0.159 176.791 176.600 0.053 0.000 1.027 464 K CA -0.143 56.187 56.287 0.072 0.000 1.113 464 K CB 0.863 33.421 32.500 0.097 0.000 0.850 464 K HN 0.134 nan 8.250 nan 0.000 0.503 465 A N 1.003 123.833 122.820 0.017 0.000 2.816 465 A HA -0.286 3.731 4.320 -0.505 0.000 0.270 465 A C 1.245 178.852 177.584 0.039 0.000 1.413 465 A CA 1.709 53.771 52.037 0.040 0.000 0.866 465 A CB -1.855 17.094 19.000 -0.085 0.000 1.032 465 A HN 0.399 nan 8.150 nan 0.000 0.642 466 K N -2.192 118.202 120.400 -0.011 0.000 2.296 466 K HA 0.189 4.206 4.320 -0.505 0.000 0.200 466 K C 0.091 176.438 176.600 -0.423 0.000 1.048 466 K CA 1.327 57.530 56.287 -0.140 0.000 0.966 466 K CB 0.041 32.509 32.500 -0.055 0.000 0.754 466 K HN 0.720 nan 8.250 nan 0.000 0.466 467 Y N -1.179 119.059 120.300 -0.105 0.000 2.588 467 Y HA 0.333 4.580 4.550 -0.505 0.000 0.343 467 Y C -0.942 174.786 175.900 -0.285 0.000 1.065 467 Y CA -1.557 56.456 58.100 -0.144 0.000 1.038 467 Y CB 1.734 40.198 38.460 0.007 0.000 1.297 467 Y HN -0.084 nan 8.280 nan 0.000 0.467 468 Y N -0.977 119.244 120.300 -0.131 0.000 2.544 468 Y HA 0.534 4.781 4.550 -0.505 0.000 0.342 468 Y C -1.301 174.595 175.900 -0.006 0.000 1.062 468 Y CA -1.416 56.453 58.100 -0.384 0.000 1.023 468 Y CB 1.524 39.162 38.460 -1.371 0.000 1.308 468 Y HN 0.595 nan 8.280 nan 0.000 0.457 469 Q N 3.302 123.235 119.800 0.221 0.000 2.257 469 Q HA 0.531 4.569 4.340 -0.505 0.000 0.255 469 Q C -1.783 174.316 176.000 0.165 0.000 0.920 469 Q CA -0.760 55.136 55.803 0.156 0.000 0.927 469 Q CB 1.375 30.189 28.738 0.127 0.000 1.229 469 Q HN 0.970 nan 8.270 nan 0.000 0.433 470 L N 4.328 125.645 121.223 0.156 0.000 2.287 470 L HA 0.469 4.506 4.340 -0.505 0.000 0.287 470 L C -0.664 176.222 176.870 0.026 0.000 1.022 470 L CA -0.636 54.281 54.840 0.130 0.000 0.814 470 L CB 1.205 43.316 42.059 0.086 0.000 1.217 470 L HN 0.582 nan 8.230 nan 0.000 0.420 471 R N 2.708 123.182 120.500 -0.043 0.000 2.215 471 R HA 0.307 4.345 4.340 -0.505 0.000 0.336 471 R C -0.786 175.126 176.300 -0.647 0.000 0.996 471 R CA -0.224 55.550 56.100 -0.543 0.000 0.847 471 R CB 1.184 31.275 30.300 -0.349 0.000 1.127 471 R HN 0.535 nan 8.270 nan 0.000 0.465 472 c N 4.317 122.350 118.600 -0.945 0.000 2.295 472 c HA 0.528 4.796 4.570 -0.505 0.000 0.331 472 c C 0.217 173.809 174.090 -0.831 0.000 1.280 472 c CA -0.557 55.219 56.329 -0.921 0.000 1.746 472 c CB -0.530 41.507 42.510 -0.788 0.000 2.328 472 c HN 0.972 nan 8.230 nan 0.000 0.521 473 F N 3.822 123.642 119.950 -0.217 0.000 2.706 473 F HA 0.489 4.714 4.527 -0.504 0.000 0.313 473 F C 1.359 177.144 175.800 -0.024 0.000 1.096 473 F CA 0.648 58.610 58.000 -0.064 0.000 1.219 473 F CB 0.591 39.585 39.000 -0.009 0.000 1.051 473 F HN 1.000 nan 8.300 nan 0.000 0.568 474 G N 0.073 108.911 108.800 0.062 0.000 2.320 474 G HA2 0.171 3.828 3.960 -0.505 0.000 0.297 474 G HA3 0.171 3.828 3.960 -0.505 0.000 0.297 474 G C -2.624 172.287 174.900 0.019 0.000 1.344 474 G CA -0.654 44.489 45.100 0.070 0.000 0.851 474 G HN -0.326 nan 8.290 nan 0.000 0.567 475 P HA 0.159 nan 4.420 nan 0.000 0.236 475 P C 1.275 178.611 177.300 0.059 0.000 1.177 475 P CA 1.231 64.375 63.100 0.073 0.000 0.773 475 P CB 0.374 32.108 31.700 0.056 0.000 0.878 476 G N 0.457 109.228 108.800 -0.049 0.000 2.563 476 G HA2 0.387 4.044 3.960 -0.505 0.000 0.283 476 G HA3 0.387 4.044 3.960 -0.505 0.000 0.283 476 G C -0.263 174.421 174.900 -0.361 0.000 1.309 476 G CA -0.739 44.254 45.100 -0.178 0.000 1.022 476 G HN 0.045 nan 8.290 nan 0.000 0.501 477 L N 1.038 121.941 121.223 -0.533 0.000 2.525 477 L HA 0.107 4.145 4.340 -0.505 0.000 0.278 477 L C -1.842 174.875 176.870 -0.254 0.000 1.218 477 L CA -1.123 53.367 54.840 -0.583 0.000 0.878 477 L CB 0.280 42.091 42.059 -0.414 0.000 1.127 477 L HN 0.243 nan 8.230 nan 0.000 0.492 478 P HA 0.034 nan 4.420 nan 0.000 0.262 478 P C -0.880 176.390 177.300 -0.050 0.000 1.182 478 P CA 0.118 63.169 63.100 -0.082 0.000 0.761 478 P CB 0.549 32.330 31.700 0.135 0.000 0.795 479 L N 5.086 126.195 121.223 -0.190 0.000 2.406 479 L HA 0.502 4.539 4.340 -0.505 0.000 0.272 479 L C -1.621 175.139 176.870 -0.184 0.000 0.980 479 L CA -0.574 54.212 54.840 -0.090 0.000 0.831 479 L CB 0.905 42.904 42.059 -0.099 0.000 1.253 479 L HN 0.190 nan 8.230 nan 0.000 0.406 480 Y N 2.974 123.188 120.300 -0.143 0.000 2.331 480 Y HA 0.715 4.962 4.550 -0.505 0.000 0.338 480 Y C 0.489 176.270 175.900 -0.198 0.000 0.992 480 Y CA -0.468 57.539 58.100 -0.154 0.000 1.121 480 Y CB 1.993 40.365 38.460 -0.147 0.000 1.184 480 Y HN 0.682 nan 8.280 nan 0.000 0.469 481 T N 0.945 115.484 114.554 -0.025 0.000 2.906 481 T HA 0.723 4.770 4.350 -0.505 0.000 0.295 481 T C -1.439 173.205 174.700 -0.093 0.000 1.075 481 T CA -0.927 61.120 62.100 -0.088 0.000 1.005 481 T CB 2.032 70.900 68.868 0.001 0.000 1.136 481 T HN 0.401 nan 8.240 nan 0.000 0.498 482 L N 1.332 122.412 121.223 -0.238 0.000 2.346 482 L HA 0.726 4.763 4.340 -0.505 0.000 0.276 482 L C -1.304 175.324 176.870 -0.403 0.000 1.006 482 L CA -0.297 54.428 54.840 -0.192 0.000 0.817 482 L CB 1.423 43.392 42.059 -0.151 0.000 1.272 482 L HN 0.869 nan 8.230 nan 0.000 0.421 483 H N 1.147 119.995 119.070 -0.370 0.000 2.821 483 H HA 0.571 4.825 4.556 -0.505 0.000 0.373 483 H C -0.841 174.255 175.328 -0.387 0.000 1.165 483 H CA -0.554 55.182 56.048 -0.521 0.000 1.154 483 H CB 2.032 31.156 29.762 -1.064 0.000 1.765 483 H HN 0.541 nan 8.280 nan 0.000 0.549 484 S N 0.131 115.767 115.700 -0.106 0.000 2.616 484 S HA 0.227 4.395 4.470 -0.505 0.000 0.277 484 S C 0.579 175.072 174.600 -0.178 0.000 1.234 484 S CA -0.509 57.589 58.200 -0.169 0.000 1.028 484 S CB 0.750 63.891 63.200 -0.098 0.000 0.988 484 S HN 0.639 nan 8.310 nan 0.000 0.522 485 S N 2.098 117.673 115.700 -0.208 0.000 2.524 485 S HA -0.013 4.154 4.470 -0.505 0.000 0.216 485 S C 2.025 176.615 174.600 -0.017 0.000 0.987 485 S CA 0.564 58.777 58.200 0.022 0.000 0.909 485 S CB -0.109 63.127 63.200 0.060 0.000 0.781 485 S HN 0.847 nan 8.310 nan 0.000 0.521 486 S N 2.318 117.959 115.700 -0.097 0.000 2.355 486 S HA -0.073 4.094 4.470 -0.505 0.000 0.222 486 S C 1.782 176.369 174.600 -0.022 0.000 1.031 486 S CA 1.403 59.574 58.200 -0.049 0.000 0.993 486 S CB -0.410 62.747 63.200 -0.071 0.000 0.859 486 S HN 0.540 nan 8.310 nan 0.000 0.453 487 S N -0.302 115.384 115.700 -0.024 0.000 2.733 487 S HA 0.235 4.402 4.470 -0.505 0.000 0.247 487 S C -0.190 174.411 174.600 0.002 0.000 1.043 487 S CA 0.121 58.316 58.200 -0.009 0.000 1.066 487 S CB -0.156 63.041 63.200 -0.005 0.000 1.045 487 S HN 0.350 nan 8.310 nan 0.000 0.586 488 D N 1.560 121.971 120.400 0.018 0.000 2.697 488 D HA -0.132 4.205 4.640 -0.505 0.000 0.238 488 D C -0.375 175.971 176.300 0.077 0.000 1.152 488 D CA 0.864 54.904 54.000 0.067 0.000 0.666 488 D CB -0.653 40.190 40.800 0.071 0.000 1.037 488 D HN 0.553 nan 8.370 nan 0.000 0.423 489 K N 1.157 121.576 120.400 0.032 0.000 2.159 489 K HA 0.215 4.232 4.320 -0.505 0.000 0.266 489 K C 0.052 176.585 176.600 -0.113 0.000 0.975 489 K CA -0.434 55.850 56.287 -0.005 0.000 0.865 489 K CB 1.201 33.687 32.500 -0.025 0.000 1.087 489 K HN 0.024 nan 8.250 nan 0.000 0.446 490 E N 4.553 124.632 120.200 -0.201 0.000 2.059 490 E HA -0.055 3.992 4.350 -0.505 0.000 0.262 490 E C 0.841 177.247 176.600 -0.324 0.000 1.230 490 E CA -0.308 55.779 56.400 -0.522 0.000 0.951 490 E CB 0.250 29.756 29.700 -0.324 0.000 1.038 490 E HN 0.487 nan 8.360 nan 0.000 0.425 491 L N 4.430 125.458 121.223 -0.324 0.000 1.989 491 L HA -0.122 3.916 4.340 -0.505 0.000 0.211 491 L C 1.204 177.984 176.870 -0.149 0.000 1.071 491 L CA 1.842 56.584 54.840 -0.163 0.000 0.749 491 L CB -0.686 41.313 42.059 -0.099 0.000 0.890 491 L HN 0.630 nan 8.230 nan 0.000 0.431 492 R N -3.058 117.322 120.500 -0.199 0.000 2.728 492 R HA 0.519 4.556 4.340 -0.505 0.000 0.274 492 R C -1.699 174.475 176.300 -0.211 0.000 1.030 492 R CA -0.861 55.138 56.100 -0.168 0.000 0.876 492 R CB 1.221 31.447 30.300 -0.123 0.000 1.259 492 R HN -0.297 nan 8.270 nan 0.000 0.468 493 V N 3.289 123.096 119.914 -0.178 0.000 2.364 493 V HA 0.204 4.022 4.120 -0.505 0.000 0.272 493 V C 1.137 177.073 176.094 -0.263 0.000 1.036 493 V CA -0.512 61.676 62.300 -0.186 0.000 0.880 493 V CB 0.998 32.748 31.823 -0.122 0.000 0.991 493 V HN 0.668 nan 8.190 nan 0.000 0.460 494 L N 2.574 123.555 121.223 -0.402 0.000 2.127 494 L HA 0.284 4.321 4.340 -0.505 0.000 0.203 494 L C 0.786 177.349 176.870 -0.513 0.000 1.080 494 L CA 0.828 55.204 54.840 -0.773 0.000 0.768 494 L CB 0.116 41.270 42.059 -1.509 0.000 0.924 494 L HN 0.657 nan 8.230 nan 0.000 0.444 495 E N -0.130 119.919 120.200 -0.252 0.000 2.347 495 E HA 0.090 4.137 4.350 -0.505 0.000 0.285 495 E C -1.181 175.426 176.600 0.011 0.000 0.925 495 E CA -0.271 56.081 56.400 -0.081 0.000 0.779 495 E CB 1.212 30.871 29.700 -0.069 0.000 1.233 495 E HN 0.207 nan 8.360 nan 0.000 0.414 496 D N 3.520 123.919 120.400 -0.002 0.000 2.527 496 D HA 0.083 4.421 4.640 -0.505 0.000 0.224 496 D C -0.374 175.926 176.300 -0.000 0.000 1.217 496 D CA -0.299 53.700 54.000 -0.002 0.000 0.819 496 D CB 0.029 40.812 40.800 -0.029 0.000 1.061 496 D HN 0.521 nan 8.370 nan 0.000 0.515 497 N N 1.111 119.821 118.700 0.018 0.000 2.735 497 N HA -0.168 4.269 4.740 -0.505 0.000 0.248 497 N C 0.783 176.300 175.510 0.012 0.000 1.083 497 N CA 0.785 53.849 53.050 0.024 0.000 0.703 497 N CB -1.107 37.399 38.487 0.030 0.000 1.005 497 N HN 0.301 nan 8.380 nan 0.000 0.550 498 S N -0.486 115.218 115.700 0.006 0.000 2.383 498 S HA -0.131 4.036 4.470 -0.505 0.000 0.229 498 S C 2.148 176.762 174.600 0.024 0.000 1.030 498 S CA 1.117 59.321 58.200 0.007 0.000 1.002 498 S CB -0.123 63.077 63.200 0.001 0.000 0.829 498 S HN 0.608 nan 8.310 nan 0.000 0.467 499 A N 1.697 124.534 122.820 0.029 0.000 1.933 499 A HA 0.011 4.028 4.320 -0.505 0.000 0.218 499 A C 2.170 179.799 177.584 0.074 0.000 1.175 499 A CA 1.486 53.547 52.037 0.040 0.000 0.628 499 A CB -0.693 18.325 19.000 0.029 0.000 0.814 499 A HN 0.427 nan 8.150 nan 0.000 0.444 500 L N 0.127 121.405 121.223 0.093 0.000 2.072 500 L HA -0.107 3.930 4.340 -0.505 0.000 0.205 500 L C 1.948 178.904 176.870 0.143 0.000 1.079 500 L CA 2.467 57.403 54.840 0.160 0.000 0.752 500 L CB -0.663 41.496 42.059 0.168 0.000 0.906 500 L HN 0.490 nan 8.230 nan 0.000 0.436 501 D N -0.317 120.123 120.400 0.066 0.000 2.123 501 D HA -0.274 4.063 4.640 -0.505 0.000 0.196 501 D C 2.072 178.413 176.300 0.068 0.000 0.992 501 D CA 1.344 55.367 54.000 0.039 0.000 0.833 501 D CB 0.181 40.982 40.800 0.001 0.000 0.954 501 D HN 0.374 nan 8.370 nan 0.000 0.455 502 K N -0.303 120.139 120.400 0.071 0.000 2.063 502 K HA -0.109 3.909 4.320 -0.505 0.000 0.208 502 K C 2.393 179.063 176.600 0.116 0.000 1.048 502 K CA 0.975 57.306 56.287 0.073 0.000 0.928 502 K CB -0.055 32.477 32.500 0.054 0.000 0.713 502 K HN 0.151 nan 8.250 nan 0.000 0.442 503 M N 0.426 120.128 119.600 0.169 0.000 2.229 503 M HA -0.109 4.068 4.480 -0.505 0.000 0.264 503 M C 1.703 178.261 176.300 0.431 0.000 1.063 503 M CA 1.161 56.630 55.300 0.282 0.000 1.114 503 M CB 0.135 32.907 32.600 0.286 0.000 1.387 503 M HN 0.162 nan 8.290 nan 0.000 0.420 504 L N -0.473 120.926 121.223 0.293 0.000 2.376 504 L HA -0.188 3.850 4.340 -0.505 0.000 0.219 504 L C 2.266 179.198 176.870 0.102 0.000 1.133 504 L CA 0.824 55.753 54.840 0.148 0.000 0.816 504 L CB -0.539 41.563 42.059 0.072 0.000 0.933 504 L HN 0.417 nan 8.230 nan 0.000 0.449 505 Q N -0.405 119.462 119.800 0.112 0.000 2.172 505 Q HA -0.226 3.811 4.340 -0.505 0.000 0.200 505 Q C 1.300 177.357 176.000 0.097 0.000 0.964 505 Q CA 1.508 57.361 55.803 0.083 0.000 0.855 505 Q CB -0.104 28.676 28.738 0.070 0.000 0.918 505 Q HN 0.429 nan 8.270 nan 0.000 0.444 506 D N -0.023 120.458 120.400 0.135 0.000 2.347 506 D HA -0.012 4.325 4.640 -0.505 0.000 0.215 506 D C -0.243 176.147 176.300 0.150 0.000 0.976 506 D CA 0.118 54.200 54.000 0.137 0.000 0.884 506 D CB 0.588 41.478 40.800 0.149 0.000 0.915 506 D HN -0.114 nan 8.370 nan 0.000 0.526 507 V N 0.663 120.666 119.914 0.149 0.000 2.667 507 V HA 0.262 4.079 4.120 -0.505 0.000 0.308 507 V C -0.598 175.518 176.094 0.036 0.000 1.048 507 V CA -0.716 61.650 62.300 0.109 0.000 0.928 507 V CB 1.884 33.756 31.823 0.082 0.000 1.004 507 V HN -0.081 nan 8.190 nan 0.000 0.444 508 Q N 5.261 125.073 119.800 0.020 0.000 2.641 508 Q HA 0.232 4.269 4.340 -0.505 0.000 0.225 508 Q C -0.333 175.621 176.000 -0.076 0.000 1.309 508 Q CA -0.166 55.609 55.803 -0.045 0.000 0.935 508 Q CB 0.255 28.943 28.738 -0.083 0.000 1.557 508 Q HN 0.566 nan 8.270 nan 0.000 0.563 509 M N 4.185 123.738 119.600 -0.078 0.000 2.228 509 M HA 0.223 4.401 4.480 -0.505 0.000 0.351 509 M C -1.959 174.261 176.300 -0.132 0.000 1.233 509 M CA -2.005 53.230 55.300 -0.109 0.000 1.129 509 M CB 0.139 32.694 32.600 -0.074 0.000 1.604 509 M HN 0.339 nan 8.290 nan 0.000 0.457 510 P HA 0.243 nan 4.420 nan 0.000 0.276 510 P C -0.901 176.305 177.300 -0.157 0.000 1.252 510 P CA -0.436 62.548 63.100 -0.192 0.000 0.802 510 P CB 0.531 32.091 31.700 -0.235 0.000 1.035 511 S N -0.246 115.350 115.700 -0.174 0.000 2.549 511 S HA 0.506 4.673 4.470 -0.505 0.000 0.297 511 S C -0.401 174.108 174.600 -0.151 0.000 1.115 511 S CA -0.863 57.257 58.200 -0.133 0.000 1.059 511 S CB 1.558 64.687 63.200 -0.118 0.000 1.046 511 S HN 0.409 nan 8.310 nan 0.000 0.506 512 K N 1.518 121.860 120.400 -0.096 0.000 2.293 512 K HA 0.300 4.317 4.320 -0.505 0.000 0.267 512 K C -0.798 175.761 176.600 -0.068 0.000 1.010 512 K CA -0.448 55.787 56.287 -0.087 0.000 0.875 512 K CB 0.776 33.244 32.500 -0.053 0.000 1.106 512 K HN 0.627 nan 8.250 nan 0.000 0.450 513 K N 5.297 125.643 120.400 -0.091 0.000 2.213 513 K HA 0.288 4.305 4.320 -0.505 0.000 0.270 513 K C -1.281 175.263 176.600 -0.094 0.000 1.002 513 K CA -0.689 55.550 56.287 -0.079 0.000 0.868 513 K CB 0.793 33.237 32.500 -0.093 0.000 1.093 513 K HN 0.462 nan 8.250 nan 0.000 0.454 514 L N 4.154 125.346 121.223 -0.052 0.000 2.305 514 L HA 0.390 4.427 4.340 -0.505 0.000 0.284 514 L C -0.394 176.445 176.870 -0.052 0.000 1.013 514 L CA -0.078 54.750 54.840 -0.020 0.000 0.819 514 L CB 1.558 43.696 42.059 0.131 0.000 1.227 514 L HN 0.707 nan 8.230 nan 0.000 0.417 515 D N 1.451 121.652 120.400 -0.331 0.000 2.752 515 D HA 0.575 4.912 4.640 -0.505 0.000 0.313 515 D C -1.523 174.517 176.300 -0.433 0.000 1.225 515 D CA -0.223 53.541 54.000 -0.393 0.000 0.976 515 D CB 2.785 43.367 40.800 -0.363 0.000 1.443 515 D HN 0.086 nan 8.370 nan 0.000 0.515 516 V N 1.319 121.076 119.914 -0.262 0.000 2.604 516 V HA 0.592 4.409 4.120 -0.505 0.000 0.305 516 V C -0.277 175.913 176.094 0.160 0.000 1.043 516 V CA -0.599 61.574 62.300 -0.213 0.000 0.888 516 V CB 1.706 33.166 31.823 -0.605 0.000 0.995 516 V HN 0.426 nan 8.190 nan 0.000 0.429 517 I N 1.717 122.441 120.570 0.256 0.000 2.892 517 I HA 0.675 4.543 4.170 -0.505 0.000 0.306 517 I C -0.654 175.521 176.117 0.097 0.000 1.078 517 I CA -0.898 60.493 61.300 0.153 0.000 1.032 517 I CB 2.314 40.353 38.000 0.065 0.000 1.229 517 I HN 0.427 nan 8.210 nan 0.000 0.435 518 N N 4.470 123.178 118.700 0.014 0.000 2.422 518 N HA 0.581 5.018 4.740 -0.505 0.000 0.266 518 N C -1.312 174.174 175.510 -0.040 0.000 1.007 518 N CA -0.425 52.617 53.050 -0.013 0.000 0.941 518 N CB 1.393 39.858 38.487 -0.038 0.000 1.115 518 N HN 0.437 nan 8.380 nan 0.000 0.492 519 L N 3.242 124.444 121.223 -0.035 0.000 2.325 519 L HA 0.340 4.377 4.340 -0.505 0.000 0.281 519 L C -0.194 176.314 176.870 -0.603 0.000 1.004 519 L CA -0.962 53.717 54.840 -0.267 0.000 0.823 519 L CB 0.855 42.781 42.059 -0.223 0.000 1.236 519 L HN 0.883 nan 8.230 nan 0.000 0.415 520 H N 0.743 119.857 119.070 0.074 0.000 2.445 520 H HA -0.199 4.054 4.556 -0.505 0.000 0.322 520 H C 0.849 176.199 175.328 0.037 0.000 1.053 520 H CA 0.568 56.640 56.048 0.040 0.000 1.109 520 H CB -2.078 27.696 29.762 0.021 0.000 1.546 520 H HN 1.025 nan 8.280 nan 0.000 0.397 521 G N -0.935 107.888 108.800 0.039 0.000 2.176 521 G HA2 -0.202 3.455 3.960 -0.505 0.000 0.252 521 G HA3 -0.202 3.455 3.960 -0.505 0.000 0.252 521 G C 0.094 174.985 174.900 -0.014 0.000 1.024 521 G CA 0.293 45.406 45.100 0.022 0.000 0.755 521 G HN 1.068 nan 8.290 nan 0.000 0.507 522 T N 0.310 114.814 114.554 -0.083 0.000 2.971 522 T HA 0.517 4.564 4.350 -0.505 0.000 0.304 522 T C -0.123 174.363 174.700 -0.356 0.000 1.038 522 T CA -0.736 61.220 62.100 -0.239 0.000 1.007 522 T CB 1.611 70.302 68.868 -0.295 0.000 1.055 522 T HN 0.537 nan 8.240 nan 0.000 0.451 523 K N 2.985 123.176 120.400 -0.348 0.000 2.316 523 K HA 0.544 4.561 4.320 -0.505 0.000 0.289 523 K C -1.146 175.234 176.600 -0.367 0.000 1.070 523 K CA -0.338 55.795 56.287 -0.256 0.000 0.928 523 K CB 0.416 32.810 32.500 -0.176 0.000 1.039 523 K HN 0.385 nan 8.250 nan 0.000 0.480 524 F N 1.458 121.468 119.950 0.100 0.000 2.538 524 F HA 0.395 4.619 4.527 -0.504 0.000 0.325 524 F C -0.341 175.597 175.800 0.230 0.000 1.066 524 F CA -1.007 57.120 58.000 0.212 0.000 0.946 524 F CB 1.256 40.431 39.000 0.293 0.000 1.199 524 F HN 0.467 nan 8.300 nan 0.000 0.473 525 W N 2.355 123.906 121.300 0.418 0.000 2.376 525 W HA 0.481 4.838 4.660 -0.505 0.000 0.322 525 W C -0.798 176.001 176.519 0.467 0.000 1.160 525 W CA -0.468 57.084 57.345 0.345 0.000 1.218 525 W CB 0.817 30.398 29.460 0.203 0.000 1.205 525 W HN 0.382 nan 8.180 nan 0.000 0.559 526 Y N 0.353 120.996 120.300 0.573 0.000 2.588 526 Y HA 0.638 4.885 4.550 -0.505 0.000 0.343 526 Y C -0.953 175.151 175.900 0.339 0.000 1.065 526 Y CA -1.731 56.684 58.100 0.526 0.000 1.038 526 Y CB 1.164 40.057 38.460 0.721 0.000 1.297 526 Y HN 0.581 nan 8.280 nan 0.000 0.467 527 Q N 3.050 123.024 119.800 0.289 0.000 2.433 527 Q HA 0.764 4.801 4.340 -0.505 0.000 0.279 527 Q C -1.672 174.396 176.000 0.113 0.000 1.105 527 Q CA -1.213 54.637 55.803 0.080 0.000 0.815 527 Q CB 3.325 32.112 28.738 0.083 0.000 1.403 527 Q HN 0.863 nan 8.270 nan 0.000 0.435 528 M N 2.337 121.936 119.600 -0.002 0.000 2.267 528 M HA 0.436 4.613 4.480 -0.505 0.000 0.289 528 M C -1.343 174.879 176.300 -0.130 0.000 1.043 528 M CA -0.759 54.508 55.300 -0.055 0.000 0.928 528 M CB 2.288 34.855 32.600 -0.056 0.000 1.613 528 M HN 0.638 nan 8.290 nan 0.000 0.450 529 I N 5.335 125.815 120.570 -0.150 0.000 2.297 529 I HA 0.342 4.209 4.170 -0.505 0.000 0.291 529 I C -0.559 175.369 176.117 -0.315 0.000 1.033 529 I CA -0.293 60.883 61.300 -0.206 0.000 1.253 529 I CB 0.416 38.310 38.000 -0.176 0.000 1.396 529 I HN 0.610 nan 8.210 nan 0.000 0.476 530 L N 8.415 129.393 121.223 -0.409 0.000 2.309 530 L HA 0.449 4.487 4.340 -0.505 0.000 0.282 530 L C -2.199 174.357 176.870 -0.524 0.000 1.036 530 L CA -1.883 52.565 54.840 -0.652 0.000 0.806 530 L CB 1.261 42.745 42.059 -0.958 0.000 1.220 530 L HN 0.258 nan 8.230 nan 0.000 0.429 531 P HA 0.076 nan 4.420 nan 0.000 0.268 531 P C -2.480 174.660 177.300 -0.268 0.000 1.208 531 P CA -0.845 62.036 63.100 -0.366 0.000 0.777 531 P CB -0.219 31.252 31.700 -0.381 0.000 0.875 532 P HA -0.006 nan 4.420 nan 0.000 0.267 532 P C -0.670 176.521 177.300 -0.182 0.000 1.200 532 P CA 0.398 63.331 63.100 -0.278 0.000 0.772 532 P CB -0.360 31.093 31.700 -0.413 0.000 0.855 533 H N -1.031 118.058 119.070 0.031 0.000 2.591 533 H HA -0.212 4.042 4.556 -0.504 0.000 0.325 533 H C -0.263 175.140 175.328 0.125 0.000 1.096 533 H CA -0.619 55.468 56.048 0.065 0.000 1.108 533 H CB -1.853 27.942 29.762 0.055 0.000 1.590 533 H HN 0.296 nan 8.280 nan 0.000 0.399 534 F N 2.843 122.792 119.950 -0.003 0.000 2.538 534 F HA 0.072 4.297 4.527 -0.504 0.000 0.382 534 F C 0.636 176.441 175.800 0.008 0.000 1.069 534 F CA -0.612 57.330 58.000 -0.097 0.000 1.138 534 F CB 0.249 39.112 39.000 -0.227 0.000 1.068 534 F HN 0.413 nan 8.300 nan 0.000 0.556 535 D N 5.064 125.413 120.400 -0.086 0.000 2.329 535 D HA 0.188 4.526 4.640 -0.505 0.000 0.232 535 D C 0.610 176.714 176.300 -0.328 0.000 1.088 535 D CA -0.306 53.614 54.000 -0.133 0.000 0.835 535 D CB 1.169 41.991 40.800 0.038 0.000 1.078 535 D HN 0.557 nan 8.370 nan 0.000 0.495 536 K N 1.294 121.491 120.400 -0.338 0.000 2.365 536 K HA -0.062 3.956 4.320 -0.505 0.000 0.199 536 K C 1.795 178.367 176.600 -0.048 0.000 1.045 536 K CA 0.899 57.051 56.287 -0.225 0.000 0.962 536 K CB 0.217 32.645 32.500 -0.120 0.000 0.759 536 K HN 0.488 nan 8.250 nan 0.000 0.469 537 S N 0.304 115.966 115.700 -0.063 0.000 2.388 537 S HA -0.007 4.160 4.470 -0.505 0.000 0.223 537 S C 0.846 175.409 174.600 -0.062 0.000 1.034 537 S CA 0.226 58.399 58.200 -0.045 0.000 0.963 537 S CB 0.038 63.209 63.200 -0.048 0.000 0.827 537 S HN 0.034 nan 8.310 nan 0.000 0.481 538 K N 1.472 121.806 120.400 -0.111 0.000 2.295 538 K HA 0.253 4.271 4.320 -0.505 0.000 0.270 538 K C -0.744 175.733 176.600 -0.205 0.000 1.011 538 K CA -0.018 56.133 56.287 -0.226 0.000 0.953 538 K CB 0.437 32.678 32.500 -0.431 0.000 0.956 538 K HN 0.093 nan 8.250 nan 0.000 0.477 539 K N 2.772 123.046 120.400 -0.209 0.000 2.267 539 K HA 0.162 4.180 4.320 -0.505 0.000 0.282 539 K C -1.286 175.204 176.600 -0.182 0.000 1.078 539 K CA -0.131 56.093 56.287 -0.106 0.000 0.903 539 K CB 0.454 32.907 32.500 -0.080 0.000 1.111 539 K HN 0.329 nan 8.250 nan 0.000 0.475 540 Y N 4.639 124.975 120.300 0.060 0.000 2.323 540 Y HA 0.247 4.494 4.550 -0.505 0.000 0.331 540 Y C -1.755 174.084 175.900 -0.101 0.000 1.092 540 Y CA -2.338 55.770 58.100 0.012 0.000 1.150 540 Y CB 0.923 39.457 38.460 0.123 0.000 1.200 540 Y HN 0.528 nan 8.280 nan 0.000 0.472 541 P HA 0.063 nan 4.420 nan 0.000 0.271 541 P C -0.916 176.186 177.300 -0.331 0.000 1.218 541 P CA -0.016 62.773 63.100 -0.518 0.000 0.780 541 P CB 1.383 32.356 31.700 -1.212 0.000 0.901 542 L N 3.238 124.310 121.223 -0.251 0.000 2.333 542 L HA 0.443 4.480 4.340 -0.505 0.000 0.280 542 L C -0.649 176.369 176.870 0.246 0.000 1.004 542 L CA -1.208 53.648 54.840 0.026 0.000 0.820 542 L CB 1.691 43.793 42.059 0.073 0.000 1.247 542 L HN 0.254 nan 8.230 nan 0.000 0.416 543 L N 5.971 127.355 121.223 0.269 0.000 2.313 543 L HA 0.517 4.554 4.340 -0.505 0.000 0.283 543 L C -0.730 176.355 176.870 0.357 0.000 1.013 543 L CA -0.226 54.844 54.840 0.383 0.000 0.816 543 L CB 1.399 43.644 42.059 0.310 0.000 1.236 543 L HN 0.330 nan 8.230 nan 0.000 0.419 544 I N 4.218 125.055 120.570 0.445 0.000 2.304 544 I HA 0.294 4.161 4.170 -0.505 0.000 0.291 544 I C 0.179 176.531 176.117 0.391 0.000 1.018 544 I CA -0.165 61.379 61.300 0.407 0.000 1.260 544 I CB 1.012 39.294 38.000 0.470 0.000 1.390 544 I HN 0.714 nan 8.210 nan 0.000 0.475 545 E N 5.794 126.193 120.200 0.331 0.000 2.081 545 E HA 0.411 4.458 4.350 -0.505 0.000 0.281 545 E C -1.279 175.388 176.600 0.112 0.000 0.986 545 E CA -0.306 56.207 56.400 0.190 0.000 0.796 545 E CB 1.496 31.385 29.700 0.316 0.000 1.085 545 E HN 0.444 nan 8.360 nan 0.000 0.398 546 V N 5.655 125.568 119.914 -0.001 0.000 2.680 546 V HA 0.313 4.130 4.120 -0.505 0.000 0.309 546 V C -1.043 175.124 176.094 0.123 0.000 1.052 546 V CA -0.289 62.071 62.300 0.100 0.000 0.908 546 V CB 1.527 33.416 31.823 0.110 0.000 1.001 546 V HN 0.892 nan 8.190 nan 0.000 0.431 547 Y N 5.326 125.676 120.300 0.083 0.000 2.808 547 Y HA 0.541 4.787 4.550 -0.506 0.000 0.244 547 Y C 1.664 177.698 175.900 0.223 0.000 1.033 547 Y CA 1.534 59.715 58.100 0.135 0.000 1.415 547 Y CB 0.211 38.732 38.460 0.102 0.000 1.420 547 Y HN 1.011 nan 8.280 nan 0.000 0.484 548 A N 0.369 123.330 122.820 0.236 0.000 3.172 548 A HA -0.178 3.839 4.320 -0.505 0.000 0.263 548 A C 1.098 178.606 177.584 -0.127 0.000 1.215 548 A CA 0.818 52.930 52.037 0.124 0.000 1.065 548 A CB -2.636 16.477 19.000 0.189 0.000 1.148 548 A HN 0.964 nan 8.150 nan 0.000 0.904 549 G N 0.177 108.705 108.800 -0.452 0.000 2.484 549 G HA2 0.413 4.070 3.960 -0.505 0.000 0.235 549 G HA3 0.413 4.070 3.960 -0.505 0.000 0.235 549 G C -1.632 173.000 174.900 -0.445 0.000 1.282 549 G CA -0.073 44.397 45.100 -1.050 0.000 0.857 549 G HN 0.457 nan 8.290 nan 0.000 0.571 550 P HA 0.033 nan 4.420 nan 0.000 0.262 550 P C 0.586 177.709 177.300 -0.294 0.000 1.182 550 P CA 0.143 62.958 63.100 -0.475 0.000 0.761 550 P CB 0.481 31.492 31.700 -1.148 0.000 0.795 551 C N 0.916 120.126 119.300 -0.150 0.000 4.593 551 C HA -0.142 4.015 4.460 -0.505 0.000 0.263 551 C C 1.220 176.159 174.990 -0.084 0.000 1.378 551 C CA 1.016 59.877 59.018 -0.263 0.000 1.666 551 C CB -3.190 24.091 27.740 -0.764 0.000 1.603 551 C HN 0.818 nan 8.230 nan 0.000 0.704 552 S N -0.371 115.394 115.700 0.109 0.000 2.722 552 S HA 0.705 4.872 4.470 -0.505 0.000 0.292 552 S C -0.852 173.902 174.600 0.258 0.000 1.135 552 S CA -0.315 58.051 58.200 0.277 0.000 1.003 552 S CB 2.109 65.547 63.200 0.397 0.000 1.067 552 S HN 0.581 nan 8.310 nan 0.000 0.546 553 Q N 0.019 119.997 119.800 0.296 0.000 2.269 553 Q HA 0.370 4.408 4.340 -0.505 0.000 0.263 553 Q C -0.415 175.690 176.000 0.174 0.000 0.983 553 Q CA -0.628 55.337 55.803 0.270 0.000 0.777 553 Q CB 1.392 30.356 28.738 0.377 0.000 1.273 553 Q HN 0.729 nan 8.270 nan 0.000 0.440 554 K N 1.916 122.414 120.400 0.164 0.000 2.352 554 K HA 0.190 4.208 4.320 -0.505 0.000 0.194 554 K C -0.261 176.416 176.600 0.128 0.000 1.038 554 K CA 0.393 56.764 56.287 0.140 0.000 1.023 554 K CB 0.954 33.562 32.500 0.181 0.000 0.840 554 K HN 0.417 nan 8.250 nan 0.000 0.519 555 V N 3.874 123.875 119.914 0.146 0.000 2.311 555 V HA 0.145 3.962 4.120 -0.505 0.000 0.275 555 V C -0.683 175.465 176.094 0.090 0.000 1.022 555 V CA -0.736 61.652 62.300 0.146 0.000 0.830 555 V CB 1.047 33.014 31.823 0.240 0.000 1.012 555 V HN 0.270 nan 8.190 nan 0.000 0.452 556 D N 2.016 122.440 120.400 0.041 0.000 2.664 556 D HA 0.355 4.692 4.640 -0.505 0.000 0.292 556 D C 0.619 176.914 176.300 -0.010 0.000 1.214 556 D CA -0.063 53.947 54.000 0.018 0.000 0.932 556 D CB 1.425 42.206 40.800 -0.033 0.000 1.420 556 D HN 0.333 nan 8.370 nan 0.000 0.471 557 T N -2.597 111.975 114.554 0.031 0.000 3.163 557 T HA 0.244 4.291 4.350 -0.505 0.000 0.252 557 T C 0.484 175.165 174.700 -0.032 0.000 1.056 557 T CA -0.381 61.741 62.100 0.036 0.000 0.947 557 T CB -0.642 68.291 68.868 0.108 0.000 1.016 557 T HN 0.283 nan 8.240 nan 0.000 0.554 558 V N 3.007 122.775 119.914 -0.244 0.000 2.540 558 V HA 0.196 4.013 4.120 -0.505 0.000 0.297 558 V C 0.334 176.401 176.094 -0.045 0.000 1.024 558 V CA -0.818 61.325 62.300 -0.262 0.000 1.105 558 V CB -0.752 30.758 31.823 -0.521 0.000 0.938 558 V HN 0.550 nan 8.190 nan 0.000 0.482 559 F N 6.798 126.712 119.950 -0.061 0.000 2.504 559 F HA 0.445 4.670 4.527 -0.503 0.000 0.369 559 F C 0.629 176.419 175.800 -0.016 0.000 1.082 559 F CA -0.027 57.954 58.000 -0.032 0.000 1.216 559 F CB 0.165 39.164 39.000 -0.002 0.000 1.108 559 F HN 0.424 nan 8.300 nan 0.000 0.554 560 R N 6.265 126.296 120.500 -0.783 0.000 2.510 560 R HA 0.332 4.369 4.340 -0.505 0.000 0.294 560 R C -1.814 174.069 176.300 -0.696 0.000 1.056 560 R CA -1.072 54.699 56.100 -0.548 0.000 0.918 560 R CB 1.342 31.484 30.300 -0.263 0.000 1.187 560 R HN 0.475 nan 8.270 nan 0.000 0.437 561 L N 3.307 124.214 121.223 -0.526 0.000 2.325 561 L HA 0.281 4.319 4.340 -0.505 0.000 0.284 561 L C 0.324 177.144 176.870 -0.084 0.000 1.089 561 L CA 0.572 55.218 54.840 -0.324 0.000 0.836 561 L CB 0.579 42.623 42.059 -0.026 0.000 1.184 561 L HN 0.744 nan 8.230 nan 0.000 0.444 562 S N 2.538 118.088 115.700 -0.251 0.000 2.851 562 S HA 0.318 4.485 4.470 -0.505 0.000 0.313 562 S C 0.376 174.537 174.600 -0.732 0.000 1.163 562 S CA -0.696 57.277 58.200 -0.378 0.000 0.850 562 S CB 0.454 63.541 63.200 -0.188 0.000 1.245 562 S HN 0.515 nan 8.310 nan 0.000 0.558 563 W N 1.183 121.843 121.300 -1.067 0.000 2.418 563 W HA 0.233 4.594 4.660 -0.499 0.000 0.292 563 W C 2.376 178.785 176.519 -0.184 0.000 1.213 563 W CA 1.800 58.714 57.345 -0.718 0.000 1.283 563 W CB -0.971 28.153 29.460 -0.560 0.000 1.119 563 W HN 0.841 nan 8.180 nan 0.000 0.542 564 A N -0.200 122.506 122.820 -0.190 0.000 1.933 564 A HA -0.198 3.819 4.320 -0.505 0.000 0.218 564 A C 1.950 179.360 177.584 -0.290 0.000 1.175 564 A CA 2.494 54.371 52.037 -0.266 0.000 0.628 564 A CB -1.322 17.626 19.000 -0.087 0.000 0.814 564 A HN 0.279 nan 8.150 nan 0.000 0.444 565 T N -0.928 113.456 114.554 -0.284 0.000 2.635 565 T HA -0.270 3.777 4.350 -0.505 0.000 0.267 565 T C 1.804 176.382 174.700 -0.204 0.000 1.040 565 T CA 1.980 63.868 62.100 -0.353 0.000 1.156 565 T CB -0.570 67.924 68.868 -0.624 0.000 0.863 565 T HN 0.726 nan 8.240 nan 0.000 0.430 566 Y N 1.820 122.054 120.300 -0.110 0.000 2.181 566 Y HA -0.025 4.222 4.550 -0.505 0.000 0.288 566 Y C 1.957 177.799 175.900 -0.097 0.000 1.146 566 Y CA 0.948 59.095 58.100 0.080 0.000 1.164 566 Y CB -0.722 37.833 38.460 0.159 0.000 0.982 566 Y HN 0.141 nan 8.280 nan 0.000 0.515 567 L N 0.228 120.969 121.223 -0.804 0.000 2.093 567 L HA -0.151 3.886 4.340 -0.505 0.000 0.208 567 L C 2.831 179.397 176.870 -0.506 0.000 1.085 567 L CA 1.173 55.473 54.840 -0.900 0.000 0.755 567 L CB -0.855 40.733 42.059 -0.785 0.000 0.904 567 L HN 0.414 nan 8.230 nan 0.000 0.435 568 A N -1.310 121.286 122.820 -0.374 0.000 1.872 568 A HA -0.176 3.842 4.320 -0.505 0.000 0.214 568 A C 2.511 179.957 177.584 -0.231 0.000 1.187 568 A CA 1.796 53.660 52.037 -0.288 0.000 0.614 568 A CB -0.637 18.191 19.000 -0.287 0.000 0.826 568 A HN 0.308 nan 8.150 nan 0.000 0.442 569 S N -1.154 114.431 115.700 -0.192 0.000 2.345 569 S HA -0.115 4.053 4.470 -0.505 0.000 0.220 569 S C 2.072 176.632 174.600 -0.065 0.000 1.031 569 S CA 2.244 60.383 58.200 -0.102 0.000 0.996 569 S CB -0.422 62.778 63.200 0.000 0.000 0.882 569 S HN 0.607 nan 8.310 nan 0.000 0.445 570 T N 1.514 116.023 114.554 -0.075 0.000 2.901 570 T HA 0.133 4.181 4.350 -0.505 0.000 0.252 570 T C 1.472 176.123 174.700 -0.082 0.000 1.035 570 T CA 0.687 62.774 62.100 -0.022 0.000 1.142 570 T CB -0.171 68.775 68.868 0.130 0.000 0.869 570 T HN 0.329 nan 8.240 nan 0.000 0.442 571 E N 1.072 121.131 120.200 -0.236 0.000 2.474 571 E HA 0.139 4.186 4.350 -0.505 0.000 0.194 571 E C -0.002 176.553 176.600 -0.075 0.000 1.041 571 E CA -0.045 56.258 56.400 -0.162 0.000 0.874 571 E CB -0.243 29.296 29.700 -0.270 0.000 0.914 571 E HN 0.301 nan 8.360 nan 0.000 0.498 572 N N 0.563 119.214 118.700 -0.081 0.000 2.727 572 N HA -0.178 4.259 4.740 -0.505 0.000 0.251 572 N C -1.222 174.317 175.510 0.048 0.000 1.040 572 N CA 0.460 53.522 53.050 0.020 0.000 0.712 572 N CB -1.331 37.269 38.487 0.188 0.000 0.912 572 N HN 0.218 nan 8.380 nan 0.000 0.545 573 I N 0.504 121.018 120.570 -0.094 0.000 2.441 573 I HA 0.389 4.256 4.170 -0.505 0.000 0.295 573 I C 0.643 176.665 176.117 -0.157 0.000 0.994 573 I CA -0.918 60.332 61.300 -0.084 0.000 1.144 573 I CB 1.420 39.387 38.000 -0.055 0.000 1.314 573 I HN 0.008 nan 8.210 nan 0.000 0.445 574 I N 6.185 126.679 120.570 -0.127 0.000 2.416 574 I HA 0.160 4.027 4.170 -0.505 0.000 0.288 574 I C -0.383 175.688 176.117 -0.075 0.000 1.051 574 I CA -0.363 60.840 61.300 -0.161 0.000 1.375 574 I CB 0.858 38.790 38.000 -0.114 0.000 1.407 574 I HN 0.188 nan 8.210 nan 0.000 0.516 575 V N 6.535 126.392 119.914 -0.095 0.000 2.384 575 V HA 0.657 4.474 4.120 -0.505 0.000 0.287 575 V C 0.309 176.406 176.094 0.005 0.000 1.020 575 V CA -0.455 61.843 62.300 -0.005 0.000 0.850 575 V CB 1.252 33.065 31.823 -0.018 0.000 0.987 575 V HN 0.850 nan 8.190 nan 0.000 0.436 576 A N 3.914 126.772 122.820 0.064 0.000 2.356 576 A HA 0.939 4.956 4.320 -0.505 0.000 0.323 576 A C -0.236 177.459 177.584 0.185 0.000 1.119 576 A CA -0.498 51.565 52.037 0.043 0.000 0.790 576 A CB 1.810 20.709 19.000 -0.168 0.000 1.273 576 A HN 0.685 nan 8.150 nan 0.000 0.452 577 S N -0.217 115.628 115.700 0.242 0.000 2.569 577 S HA 0.810 4.977 4.470 -0.505 0.000 0.280 577 S C -1.504 173.405 174.600 0.514 0.000 1.111 577 S CA -0.303 58.097 58.200 0.334 0.000 0.887 577 S CB 1.392 64.739 63.200 0.245 0.000 1.095 577 S HN 0.874 nan 8.310 nan 0.000 0.476 578 F N 1.557 121.709 119.950 0.336 0.000 2.591 578 F HA 0.498 4.722 4.527 -0.505 0.000 0.309 578 F C -1.785 174.184 175.800 0.282 0.000 1.098 578 F CA -0.809 57.420 58.000 0.381 0.000 0.937 578 F CB 1.605 40.846 39.000 0.403 0.000 1.250 578 F HN 0.392 nan 8.300 nan 0.000 0.447 579 D N 4.165 124.180 120.400 -0.643 0.000 2.460 579 D HA 0.389 4.727 4.640 -0.505 0.000 0.232 579 D C 0.362 176.013 176.300 -1.082 0.000 1.079 579 D CA 0.051 53.731 54.000 -0.534 0.000 0.864 579 D CB 1.575 42.339 40.800 -0.059 0.000 1.048 579 D HN 0.794 nan 8.370 nan 0.000 0.523 580 G N 1.419 109.658 108.800 -0.936 0.000 2.630 580 G HA2 0.254 3.911 3.960 -0.505 0.000 0.223 580 G HA3 0.254 3.911 3.960 -0.505 0.000 0.223 580 G C 0.222 174.773 174.900 -0.583 0.000 1.434 580 G CA -0.605 43.962 45.100 -0.888 0.000 1.057 580 G HN 0.288 nan 8.290 nan 0.000 0.570 581 R N -0.757 119.540 120.500 -0.339 0.000 2.590 581 R HA 0.407 4.445 4.340 -0.505 0.000 0.274 581 R C 1.184 177.541 176.300 0.096 0.000 1.061 581 R CA 1.287 57.395 56.100 0.015 0.000 1.081 581 R CB 0.730 31.119 30.300 0.148 0.000 0.984 581 R HN 0.978 nan 8.270 nan 0.000 0.448 582 G N 1.018 109.901 108.800 0.139 0.000 2.284 582 G HA2 -0.339 3.318 3.960 -0.505 0.000 0.230 582 G HA3 -0.339 3.318 3.960 -0.505 0.000 0.230 582 G C 0.172 175.108 174.900 0.060 0.000 1.021 582 G CA 0.142 45.314 45.100 0.120 0.000 0.619 582 G HN 0.737 nan 8.290 nan 0.000 0.510 583 S N 0.691 116.419 115.700 0.046 0.000 2.576 583 S HA 0.584 4.752 4.470 -0.505 0.000 0.272 583 S C 0.917 175.534 174.600 0.029 0.000 1.352 583 S CA 0.689 58.917 58.200 0.048 0.000 1.021 583 S CB 1.563 64.800 63.200 0.061 0.000 0.887 583 S HN 1.749 nan 8.310 nan 0.000 0.542 584 G N -0.598 108.187 108.800 -0.024 0.000 2.613 584 G HA2 0.501 4.158 3.960 -0.505 0.000 0.303 584 G HA3 0.501 4.158 3.960 -0.505 0.000 0.303 584 G C -0.934 173.917 174.900 -0.081 0.000 1.312 584 G CA -1.006 43.958 45.100 -0.227 0.000 1.036 584 G HN 0.981 nan 8.290 nan 0.000 0.513 585 Y N -2.380 117.954 120.300 0.056 0.000 4.668 585 Y HA -0.209 4.038 4.550 -0.505 0.000 0.234 585 Y C 1.327 177.285 175.900 0.097 0.000 1.056 585 Y CA 1.070 59.215 58.100 0.074 0.000 2.025 585 Y CB -2.148 36.366 38.460 0.090 0.000 1.613 585 Y HN 0.534 nan 8.280 nan 0.000 0.653 586 Q N -0.186 119.703 119.800 0.148 0.000 2.057 586 Q HA 0.513 4.551 4.340 -0.505 0.000 0.216 586 Q C 0.845 176.817 176.000 -0.046 0.000 0.788 586 Q CA 0.210 56.115 55.803 0.171 0.000 1.053 586 Q CB 1.702 30.563 28.738 0.205 0.000 1.210 586 Q HN 0.593 nan 8.270 nan 0.000 0.455 587 G N 0.642 109.285 108.800 -0.261 0.000 2.629 587 G HA2 -0.177 3.480 3.960 -0.505 0.000 0.686 587 G HA3 -0.177 3.480 3.960 -0.505 0.000 0.686 587 G C -0.532 174.060 174.900 -0.512 0.000 1.232 587 G CA -0.597 44.081 45.100 -0.704 0.000 0.803 587 G HN 0.093 nan 8.290 nan 0.000 0.638 588 D N 0.083 120.136 120.400 -0.579 0.000 2.219 588 D HA -0.013 4.324 4.640 -0.505 0.000 0.205 588 D C 2.382 178.382 176.300 -0.499 0.000 0.970 588 D CA 1.216 54.807 54.000 -0.682 0.000 0.851 588 D CB 0.057 40.483 40.800 -0.624 0.000 0.943 588 D HN 0.485 nan 8.370 nan 0.000 0.488 589 K N 0.060 120.266 120.400 -0.323 0.000 2.026 589 K HA -0.018 3.999 4.320 -0.505 0.000 0.208 589 K C 2.086 178.653 176.600 -0.055 0.000 1.048 589 K CA 0.656 56.854 56.287 -0.149 0.000 0.929 589 K CB -0.094 32.335 32.500 -0.118 0.000 0.713 589 K HN 0.100 nan 8.250 nan 0.000 0.439 590 I N 0.257 120.801 120.570 -0.043 0.000 2.252 590 I HA -0.248 3.619 4.170 -0.505 0.000 0.245 590 I C 2.419 178.577 176.117 0.070 0.000 1.102 590 I CA 1.063 62.425 61.300 0.103 0.000 1.385 590 I CB -0.072 38.042 38.000 0.191 0.000 1.064 590 I HN 0.223 nan 8.210 nan 0.000 0.414 591 M N -0.164 119.390 119.600 -0.077 0.000 2.067 591 M HA -0.250 3.927 4.480 -0.505 0.000 0.260 591 M C 2.009 178.341 176.300 0.053 0.000 1.069 591 M CA 1.999 57.255 55.300 -0.074 0.000 1.117 591 M CB -0.347 32.069 32.600 -0.308 0.000 1.334 591 M HN 0.272 nan 8.290 nan 0.000 0.407 592 H N -0.748 118.221 119.070 -0.168 0.000 2.556 592 H HA 0.126 4.379 4.556 -0.505 0.000 0.268 592 H C 1.831 177.206 175.328 0.077 0.000 0.996 592 H CA 0.092 56.021 56.048 -0.199 0.000 1.157 592 H CB 0.074 29.605 29.762 -0.385 0.000 1.355 592 H HN 0.502 nan 8.280 nan 0.000 0.597 593 A N 1.536 124.505 122.820 0.249 0.000 1.940 593 A HA -0.164 3.853 4.320 -0.505 0.000 0.219 593 A C 2.081 179.926 177.584 0.435 0.000 1.176 593 A CA 1.406 53.640 52.037 0.328 0.000 0.631 593 A CB -0.654 18.528 19.000 0.304 0.000 0.814 593 A HN 0.598 nan 8.150 nan 0.000 0.446 594 I N -2.967 117.813 120.570 0.351 0.000 3.810 594 I HA 0.143 4.010 4.170 -0.505 0.000 0.322 594 I C 0.425 176.652 176.117 0.183 0.000 1.288 594 I CA -0.419 61.008 61.300 0.212 0.000 1.143 594 I CB -0.580 37.514 38.000 0.158 0.000 1.012 594 I HN 0.206 nan 8.210 nan 0.000 0.423 595 N N 3.068 121.945 118.700 0.295 0.000 2.411 595 N HA -0.074 4.363 4.740 -0.505 0.000 0.261 595 N C 0.213 175.785 175.510 0.104 0.000 1.248 595 N CA 0.341 53.569 53.050 0.296 0.000 0.885 595 N CB 0.326 38.968 38.487 0.258 0.000 1.062 595 N HN 0.431 nan 8.380 nan 0.000 0.471 596 R N 0.502 121.030 120.500 0.047 0.000 3.994 596 R HA -0.197 3.840 4.340 -0.505 0.000 0.403 596 R C -0.290 176.021 176.300 0.018 0.000 1.126 596 R CA 1.576 57.659 56.100 -0.028 0.000 1.143 596 R CB -1.353 28.909 30.300 -0.064 0.000 1.695 596 R HN 0.779 nan 8.270 nan 0.000 0.555 597 R N 0.275 120.794 120.500 0.031 0.000 2.638 597 R HA 0.299 4.336 4.340 -0.505 0.000 0.269 597 R C -0.464 175.816 176.300 -0.033 0.000 1.393 597 R CA -0.692 55.456 56.100 0.081 0.000 1.531 597 R CB 0.353 30.703 30.300 0.084 0.000 1.327 597 R HN -0.041 nan 8.270 nan 0.000 0.709 598 L N 1.013 122.197 121.223 -0.066 0.000 2.485 598 L HA 0.250 4.287 4.340 -0.505 0.000 0.275 598 L C 1.219 178.227 176.870 0.229 0.000 1.207 598 L CA 1.263 56.118 54.840 0.026 0.000 0.855 598 L CB 0.629 42.543 42.059 -0.241 0.000 1.114 598 L HN 0.877 nan 8.230 nan 0.000 0.485 599 G N 1.022 110.034 108.800 0.353 0.000 2.157 599 G HA2 -0.315 3.342 3.960 -0.505 0.000 0.248 599 G HA3 -0.315 3.342 3.960 -0.505 0.000 0.248 599 G C 0.602 175.535 174.900 0.055 0.000 0.979 599 G CA 0.634 45.896 45.100 0.269 0.000 0.650 599 G HN 0.784 nan 8.290 nan 0.000 0.529 600 T N -2.911 111.648 114.554 0.008 0.000 3.535 600 T HA 0.427 4.474 4.350 -0.505 0.000 0.223 600 T C 1.796 176.550 174.700 0.091 0.000 0.933 600 T CA 1.186 63.242 62.100 -0.074 0.000 1.445 600 T CB -0.181 68.486 68.868 -0.334 0.000 1.286 600 T HN 0.082 nan 8.240 nan 0.000 0.436 601 F N 3.357 123.352 119.950 0.076 0.000 2.134 601 F HA 0.107 4.331 4.527 -0.504 0.000 0.299 601 F C 2.839 178.690 175.800 0.084 0.000 1.097 601 F CA 0.982 59.025 58.000 0.072 0.000 1.264 601 F CB -0.858 38.186 39.000 0.073 0.000 1.001 601 F HN 0.489 nan 8.300 nan 0.000 0.479 602 E N 0.684 121.055 120.200 0.284 0.000 2.153 602 E HA -0.129 3.918 4.350 -0.505 0.000 0.194 602 E C 2.100 178.812 176.600 0.186 0.000 0.988 602 E CA 1.456 57.981 56.400 0.209 0.000 0.811 602 E CB -0.989 28.835 29.700 0.206 0.000 0.746 602 E HN 0.282 nan 8.360 nan 0.000 0.466 603 V N 1.459 121.463 119.914 0.151 0.000 2.346 603 V HA -0.177 3.640 4.120 -0.505 0.000 0.244 603 V C 2.355 178.504 176.094 0.091 0.000 1.037 603 V CA 1.972 64.316 62.300 0.073 0.000 1.029 603 V CB -0.529 31.283 31.823 -0.018 0.000 0.663 603 V HN 0.190 nan 8.190 nan 0.000 0.454 604 E N 0.163 120.440 120.200 0.128 0.000 2.085 604 E HA -0.247 3.800 4.350 -0.505 0.000 0.194 604 E C 1.908 178.585 176.600 0.128 0.000 0.994 604 E CA 1.615 58.093 56.400 0.130 0.000 0.801 604 E CB -0.154 29.655 29.700 0.183 0.000 0.743 604 E HN 0.566 nan 8.360 nan 0.000 0.453 605 D N 0.039 120.543 120.400 0.173 0.000 2.219 605 D HA -0.128 4.209 4.640 -0.505 0.000 0.205 605 D C 1.913 178.304 176.300 0.152 0.000 0.970 605 D CA 0.674 54.783 54.000 0.182 0.000 0.851 605 D CB -0.059 40.891 40.800 0.249 0.000 0.943 605 D HN 0.092 nan 8.370 nan 0.000 0.488 606 Q N 0.031 119.953 119.800 0.203 0.000 2.079 606 Q HA -0.035 4.003 4.340 -0.505 0.000 0.200 606 Q C 2.520 178.602 176.000 0.137 0.000 0.974 606 Q CA 0.594 56.523 55.803 0.209 0.000 0.840 606 Q CB -0.136 28.721 28.738 0.198 0.000 0.898 606 Q HN 0.407 nan 8.270 nan 0.000 0.430 607 I N 0.726 121.378 120.570 0.136 0.000 2.163 607 I HA -0.284 3.584 4.170 -0.505 0.000 0.240 607 I C 2.511 178.626 176.117 -0.003 0.000 1.081 607 I CA 1.549 62.958 61.300 0.183 0.000 1.353 607 I CB -0.265 37.826 38.000 0.150 0.000 1.054 607 I HN 0.224 nan 8.210 nan 0.000 0.407 608 E N 1.646 121.804 120.200 -0.069 0.000 2.110 608 E HA -0.206 3.841 4.350 -0.505 0.000 0.193 608 E C 2.087 178.464 176.600 -0.372 0.000 0.988 608 E CA 1.493 57.796 56.400 -0.163 0.000 0.804 608 E CB -0.128 29.518 29.700 -0.090 0.000 0.745 608 E HN 0.419 nan 8.360 nan 0.000 0.458 609 A N 0.148 122.632 122.820 -0.561 0.000 1.898 609 A HA -0.132 3.886 4.320 -0.505 0.000 0.216 609 A C 2.433 179.265 177.584 -1.254 0.000 1.181 609 A CA 1.878 53.253 52.037 -1.104 0.000 0.620 609 A CB -0.998 16.974 19.000 -1.713 0.000 0.819 609 A HN 0.384 nan 8.150 nan 0.000 0.442 610 T N -0.797 113.412 114.554 -0.575 0.000 2.821 610 T HA -0.112 3.935 4.350 -0.505 0.000 0.267 610 T C 2.046 176.569 174.700 -0.295 0.000 1.046 610 T CA 1.347 63.302 62.100 -0.242 0.000 1.139 610 T CB -0.206 68.683 68.868 0.035 0.000 0.871 610 T HN 0.487 nan 8.240 nan 0.000 0.454 611 R N 0.785 121.101 120.500 -0.307 0.000 2.091 611 R HA -0.101 3.936 4.340 -0.505 0.000 0.238 611 R C 2.699 178.841 176.300 -0.264 0.000 1.136 611 R CA 1.379 57.329 56.100 -0.249 0.000 0.959 611 R CB -0.132 30.050 30.300 -0.197 0.000 0.856 611 R HN 0.442 nan 8.270 nan 0.000 0.437 612 Q N -0.897 118.666 119.800 -0.396 0.000 2.119 612 Q HA -0.154 3.883 4.340 -0.505 0.000 0.201 612 Q C 1.826 177.668 176.000 -0.265 0.000 0.972 612 Q CA 1.234 56.813 55.803 -0.374 0.000 0.847 612 Q CB 0.026 28.460 28.738 -0.508 0.000 0.903 612 Q HN 0.302 nan 8.270 nan 0.000 0.433 613 F N 0.366 120.173 119.950 -0.239 0.000 2.259 613 F HA -0.120 4.104 4.527 -0.505 0.000 0.298 613 F C 2.683 178.369 175.800 -0.191 0.000 1.088 613 F CA 1.203 59.074 58.000 -0.215 0.000 1.358 613 F CB -1.014 37.876 39.000 -0.183 0.000 1.040 613 F HN 0.055 nan 8.300 nan 0.000 0.505 614 S N -0.303 115.384 115.700 -0.021 0.000 2.481 614 S HA -0.095 4.072 4.470 -0.505 0.000 0.231 614 S C 1.863 176.392 174.600 -0.118 0.000 0.996 614 S CA 0.402 58.553 58.200 -0.082 0.000 0.942 614 S CB -0.336 62.793 63.200 -0.119 0.000 0.768 614 S HN 0.254 nan 8.310 nan 0.000 0.520 615 K N 0.879 121.204 120.400 -0.125 0.000 2.057 615 K HA 0.100 4.117 4.320 -0.505 0.000 0.207 615 K C 0.823 177.317 176.600 -0.176 0.000 1.049 615 K CA 0.470 56.678 56.287 -0.131 0.000 0.931 615 K CB -0.569 31.862 32.500 -0.116 0.000 0.714 615 K HN 0.480 nan 8.250 nan 0.000 0.440 616 M N 0.862 120.313 119.600 -0.249 0.000 2.286 616 M HA -0.089 4.088 4.480 -0.505 0.000 0.365 616 M C 1.456 177.443 176.300 -0.521 0.000 1.443 616 M CA 0.235 55.240 55.300 -0.492 0.000 0.951 616 M CB 0.655 32.735 32.600 -0.866 0.000 1.961 616 M HN 0.253 nan 8.290 nan 0.000 0.468 617 G N 3.550 112.113 108.800 -0.395 0.000 2.498 617 G HA2 -0.194 3.463 3.960 -0.505 0.000 0.219 617 G HA3 -0.194 3.463 3.960 -0.505 0.000 0.219 617 G C 0.750 175.581 174.900 -0.114 0.000 1.119 617 G CA 0.543 45.525 45.100 -0.197 0.000 0.766 617 G HN 0.850 nan 8.290 nan 0.000 0.552 618 F N -0.356 119.628 119.950 0.055 0.000 2.765 618 F HA 0.555 4.779 4.527 -0.505 0.000 0.302 618 F C 0.039 175.945 175.800 0.178 0.000 1.111 618 F CA -1.474 56.593 58.000 0.111 0.000 1.359 618 F CB -0.287 38.794 39.000 0.135 0.000 1.097 618 F HN -0.165 nan 8.300 nan 0.000 0.577 619 V N 2.045 121.995 119.914 0.059 0.000 2.347 619 V HA 0.169 3.986 4.120 -0.505 0.000 0.280 619 V C -0.635 175.459 176.094 -0.001 0.000 1.021 619 V CA -0.815 61.539 62.300 0.090 0.000 0.847 619 V CB 1.202 33.033 31.823 0.013 0.000 0.990 619 V HN 0.051 nan 8.190 nan 0.000 0.444 620 D N 4.175 124.572 120.400 -0.005 0.000 2.359 620 D HA 0.032 4.369 4.640 -0.505 0.000 0.250 620 D C 1.357 177.619 176.300 -0.064 0.000 1.264 620 D CA -0.221 53.748 54.000 -0.053 0.000 0.911 620 D CB 0.839 41.589 40.800 -0.082 0.000 1.056 620 D HN 0.721 nan 8.370 nan 0.000 0.499 621 D N 2.952 123.314 120.400 -0.064 0.000 2.265 621 D HA -0.215 4.122 4.640 -0.505 0.000 0.208 621 D C 0.769 177.035 176.300 -0.056 0.000 0.977 621 D CA 0.693 54.648 54.000 -0.074 0.000 0.871 621 D CB 0.166 40.919 40.800 -0.080 0.000 0.925 621 D HN 0.413 nan 8.370 nan 0.000 0.485 622 K N -0.055 120.322 120.400 -0.037 0.000 2.418 622 K HA 0.108 4.125 4.320 -0.505 0.000 0.195 622 K C 0.794 177.413 176.600 0.032 0.000 1.035 622 K CA 0.237 56.520 56.287 -0.007 0.000 1.003 622 K CB 0.413 32.908 32.500 -0.007 0.000 0.793 622 K HN -0.016 nan 8.250 nan 0.000 0.494 623 R N 1.149 121.652 120.500 0.004 0.000 2.681 623 R HA 0.332 4.369 4.340 -0.505 0.000 0.277 623 R C -1.098 175.223 176.300 0.036 0.000 1.563 623 R CA -0.145 55.984 56.100 0.048 0.000 1.673 623 R CB 0.554 30.759 30.300 -0.158 0.000 1.258 623 R HN 0.002 nan 8.270 nan 0.000 0.650 624 I N 1.072 121.755 120.570 0.190 0.000 2.406 624 I HA 0.535 4.403 4.170 -0.505 0.000 0.290 624 I C 0.042 176.457 176.117 0.497 0.000 0.999 624 I CA -0.706 60.735 61.300 0.236 0.000 1.124 624 I CB 1.959 39.927 38.000 -0.053 0.000 1.289 624 I HN 0.275 nan 8.210 nan 0.000 0.441 625 A N 6.824 130.037 122.820 0.656 0.000 2.350 625 A HA 0.908 4.925 4.320 -0.505 0.000 0.318 625 A C -1.087 176.863 177.584 0.610 0.000 1.132 625 A CA -0.630 51.761 52.037 0.590 0.000 0.811 625 A CB 1.705 20.922 19.000 0.361 0.000 1.313 625 A HN 0.728 nan 8.150 nan 0.000 0.454 626 I N 1.261 122.093 120.570 0.437 0.000 2.569 626 I HA 0.685 4.553 4.170 -0.505 0.000 0.290 626 I C -1.517 174.823 176.117 0.373 0.000 1.088 626 I CA -0.483 60.992 61.300 0.291 0.000 1.047 626 I CB 1.286 39.163 38.000 -0.205 0.000 1.237 626 I HN 0.872 nan 8.210 nan 0.000 0.421 627 W N 7.590 129.013 121.300 0.205 0.000 3.033 627 W HA 0.889 5.244 4.660 -0.510 0.000 0.336 627 W C -1.306 175.352 176.519 0.231 0.000 1.173 627 W CA -1.046 56.431 57.345 0.220 0.000 1.185 627 W CB 1.317 30.965 29.460 0.314 0.000 1.425 627 W HN 0.805 nan 8.180 nan 0.000 0.536 628 G N 1.062 109.744 108.800 -0.196 0.000 2.576 628 G HA2 0.462 4.119 3.960 -0.505 0.000 0.290 628 G HA3 0.462 4.119 3.960 -0.505 0.000 0.290 628 G C -2.850 171.960 174.900 -0.149 0.000 1.442 628 G CA -0.730 44.121 45.100 -0.415 0.000 0.792 628 G HN 0.581 nan 8.290 nan 0.000 0.491 629 W N 1.075 122.244 121.300 -0.218 0.000 2.702 629 W HA 0.557 4.917 4.660 -0.501 0.000 0.331 629 W C 0.867 177.418 176.519 0.054 0.000 1.049 629 W CA 0.316 57.621 57.345 -0.066 0.000 1.230 629 W CB 1.543 30.967 29.460 -0.060 0.000 1.408 629 W HN 1.162 nan 8.180 nan 0.000 0.492 630 S N 2.271 118.239 115.700 0.448 0.000 4.150 630 S HA -0.440 3.727 4.470 -0.505 0.000 0.575 630 S C 0.908 175.588 174.600 0.133 0.000 1.878 630 S CA 1.715 60.147 58.200 0.386 0.000 4.245 630 S CB -1.539 62.023 63.200 0.603 0.000 0.231 630 S HN 0.731 nan 8.310 nan 0.000 0.469 631 Y N 3.291 123.531 120.300 -0.099 0.000 2.207 631 Y HA 0.002 4.250 4.550 -0.503 0.000 0.287 631 Y C 2.528 178.312 175.900 -0.194 0.000 1.156 631 Y CA 2.123 60.072 58.100 -0.251 0.000 1.182 631 Y CB -0.991 37.113 38.460 -0.594 0.000 0.979 631 Y HN 0.558 nan 8.280 nan 0.000 0.521 632 G N -1.047 107.722 108.800 -0.051 0.000 2.432 632 G HA2 -0.233 3.424 3.960 -0.505 0.000 0.219 632 G HA3 -0.233 3.424 3.960 -0.505 0.000 0.219 632 G C 1.907 176.811 174.900 0.007 0.000 1.135 632 G CA 0.766 45.881 45.100 0.025 0.000 0.767 632 G HN 0.566 nan 8.290 nan 0.000 0.550 633 G N -0.280 108.536 108.800 0.026 0.000 2.408 633 G HA2 -0.198 3.459 3.960 -0.505 0.000 0.217 633 G HA3 -0.198 3.459 3.960 -0.505 0.000 0.217 633 G C 1.591 176.495 174.900 0.007 0.000 1.150 633 G CA 1.025 46.136 45.100 0.017 0.000 0.776 633 G HN 0.432 nan 8.290 nan 0.000 0.542 634 Y N 1.305 121.489 120.300 -0.193 0.000 2.145 634 Y HA -0.101 4.145 4.550 -0.507 0.000 0.286 634 Y C 2.738 178.509 175.900 -0.215 0.000 1.145 634 Y CA 1.586 59.512 58.100 -0.291 0.000 1.148 634 Y CB -0.405 37.712 38.460 -0.571 0.000 0.981 634 Y HN 0.025 nan 8.280 nan 0.000 0.507 635 V N -0.223 119.533 119.914 -0.263 0.000 2.295 635 V HA -0.330 3.487 4.120 -0.505 0.000 0.246 635 V C 2.337 178.299 176.094 -0.220 0.000 1.049 635 V CA 2.440 64.592 62.300 -0.247 0.000 1.024 635 V CB -1.229 30.593 31.823 -0.001 0.000 0.648 635 V HN 0.490 nan 8.190 nan 0.000 0.447 636 T N 0.091 114.570 114.554 -0.125 0.000 2.624 636 T HA -0.250 3.797 4.350 -0.505 0.000 0.268 636 T C 2.122 176.744 174.700 -0.129 0.000 1.041 636 T CA 2.233 64.274 62.100 -0.098 0.000 1.159 636 T CB -0.341 68.548 68.868 0.035 0.000 0.863 636 T HN 0.532 nan 8.240 nan 0.000 0.434 637 S N 0.833 116.482 115.700 -0.086 0.000 2.368 637 S HA -0.017 4.150 4.470 -0.505 0.000 0.225 637 S C 2.118 176.596 174.600 -0.204 0.000 1.030 637 S CA 0.975 59.143 58.200 -0.053 0.000 0.999 637 S CB -0.271 62.938 63.200 0.015 0.000 0.844 637 S HN 0.327 nan 8.310 nan 0.000 0.459 638 M N 0.828 120.212 119.600 -0.360 0.000 2.229 638 M HA 0.016 4.193 4.480 -0.505 0.000 0.264 638 M C 2.164 178.276 176.300 -0.313 0.000 1.063 638 M CA 0.907 55.978 55.300 -0.382 0.000 1.114 638 M CB -1.311 30.953 32.600 -0.561 0.000 1.387 638 M HN 0.172 nan 8.290 nan 0.000 0.420 639 V N 0.602 120.328 119.914 -0.313 0.000 2.307 639 V HA -0.225 3.592 4.120 -0.505 0.000 0.245 639 V C 2.475 178.355 176.094 -0.356 0.000 1.045 639 V CA 1.329 63.444 62.300 -0.308 0.000 1.024 639 V CB -0.546 31.027 31.823 -0.417 0.000 0.651 639 V HN 0.390 nan 8.190 nan 0.000 0.449 640 L N 0.316 121.267 121.223 -0.454 0.000 2.201 640 L HA -0.042 3.995 4.340 -0.505 0.000 0.212 640 L C 2.165 178.512 176.870 -0.872 0.000 1.105 640 L CA 1.498 55.995 54.840 -0.573 0.000 0.775 640 L CB -0.683 41.025 42.059 -0.585 0.000 0.913 640 L HN 0.486 nan 8.230 nan 0.000 0.440 641 G N -1.412 106.832 108.800 -0.928 0.000 3.284 641 G HA2 0.252 3.909 3.960 -0.505 0.000 0.236 641 G HA3 0.252 3.909 3.960 -0.505 0.000 0.236 641 G C 1.313 176.014 174.900 -0.332 0.000 1.158 641 G CA 0.491 45.139 45.100 -0.755 0.000 0.774 641 G HN 0.352 nan 8.290 nan 0.000 0.545 642 A N -0.194 122.466 122.820 -0.267 0.000 2.132 642 A HA 0.471 4.488 4.320 -0.505 0.000 0.213 642 A C 2.011 179.537 177.584 -0.097 0.000 1.154 642 A CA 1.141 53.091 52.037 -0.144 0.000 0.753 642 A CB -0.287 18.651 19.000 -0.104 0.000 0.826 642 A HN 1.435 nan 8.150 nan 0.000 0.469 643 G N 0.207 108.940 108.800 -0.112 0.000 2.246 643 G HA2 -0.283 3.374 3.960 -0.505 0.000 0.273 643 G HA3 -0.283 3.374 3.960 -0.505 0.000 0.273 643 G C 0.941 175.825 174.900 -0.026 0.000 1.055 643 G CA 1.208 46.269 45.100 -0.066 0.000 0.851 643 G HN 1.390 nan 8.290 nan 0.000 0.500 644 S N -1.189 114.511 115.700 0.000 0.000 2.461 644 S HA 0.344 4.511 4.470 -0.505 0.000 0.228 644 S C 2.452 177.060 174.600 0.013 0.000 1.005 644 S CA 1.417 59.631 58.200 0.022 0.000 0.942 644 S CB -0.012 63.233 63.200 0.074 0.000 0.776 644 S HN 2.361 nan 8.310 nan 0.000 0.514 645 G N 0.364 109.178 108.800 0.024 0.000 2.189 645 G HA2 -0.293 3.364 3.960 -0.505 0.000 0.267 645 G HA3 -0.293 3.364 3.960 -0.505 0.000 0.267 645 G C 0.745 175.638 174.900 -0.011 0.000 0.975 645 G CA 0.459 45.566 45.100 0.011 0.000 0.644 645 G HN 0.667 nan 8.290 nan 0.000 0.537 646 V N -0.759 119.138 119.914 -0.028 0.000 2.591 646 V HA 0.281 4.098 4.120 -0.505 0.000 0.249 646 V C 1.060 176.936 176.094 -0.362 0.000 1.053 646 V CA 1.377 63.538 62.300 -0.232 0.000 1.068 646 V CB -0.294 31.312 31.823 -0.363 0.000 0.689 646 V HN 0.306 nan 8.190 nan 0.000 0.462 647 F N -0.215 119.753 119.950 0.031 0.000 2.458 647 F HA 0.417 4.643 4.527 -0.502 0.000 0.336 647 F C 1.056 176.901 175.800 0.075 0.000 1.114 647 F CA -0.583 57.461 58.000 0.072 0.000 0.987 647 F CB 1.549 40.591 39.000 0.070 0.000 1.130 647 F HN -0.279 nan 8.300 nan 0.000 0.458 648 K N 1.672 122.232 120.400 0.267 0.000 2.076 648 K HA 0.071 4.089 4.320 -0.505 0.000 0.204 648 K C 0.040 176.764 176.600 0.208 0.000 1.051 648 K CA 0.995 57.400 56.287 0.198 0.000 0.949 648 K CB 0.247 32.861 32.500 0.189 0.000 0.726 648 K HN 0.803 nan 8.250 nan 0.000 0.443 649 c N -3.048 115.712 118.600 0.265 0.000 3.332 649 c HA 0.902 5.169 4.570 -0.505 0.000 0.329 649 c C -0.229 174.077 174.090 0.361 0.000 1.434 649 c CA -0.598 55.906 56.329 0.292 0.000 1.314 649 c CB 1.140 43.749 42.510 0.164 0.000 1.664 649 c HN 0.360 nan 8.230 nan 0.000 0.457 650 G N -0.100 108.977 108.800 0.462 0.000 2.632 650 G HA2 0.668 4.325 3.960 -0.505 0.000 0.292 650 G HA3 0.668 4.325 3.960 -0.505 0.000 0.292 650 G C -2.050 173.073 174.900 0.371 0.000 1.465 650 G CA -0.667 44.677 45.100 0.406 0.000 0.824 650 G HN 0.982 nan 8.290 nan 0.000 0.509 651 I N 0.825 121.583 120.570 0.314 0.000 2.436 651 I HA 0.631 4.498 4.170 -0.505 0.000 0.289 651 I C 0.303 176.545 176.117 0.208 0.000 1.010 651 I CA -0.913 60.469 61.300 0.136 0.000 1.098 651 I CB 2.294 40.352 38.000 0.097 0.000 1.266 651 I HN 0.662 nan 8.210 nan 0.000 0.434 652 A N 6.461 129.322 122.820 0.068 0.000 2.287 652 A HA 0.761 4.778 4.320 -0.505 0.000 0.317 652 A C -0.671 176.855 177.584 -0.096 0.000 1.220 652 A CA -0.518 51.554 52.037 0.057 0.000 0.835 652 A CB 0.926 20.023 19.000 0.162 0.000 1.180 652 A HN 0.453 nan 8.150 nan 0.000 0.500 653 V N 2.320 122.128 119.914 -0.176 0.000 2.370 653 V HA 0.542 4.360 4.120 -0.505 0.000 0.283 653 V C 0.972 176.747 176.094 -0.532 0.000 1.023 653 V CA 0.348 62.360 62.300 -0.480 0.000 0.857 653 V CB 0.642 31.925 31.823 -0.900 0.000 0.985 653 V HN 2.037 nan 8.190 nan 0.000 0.443 654 A N 5.798 128.302 122.820 -0.527 0.000 2.511 654 A HA -0.105 3.912 4.320 -0.505 0.000 0.297 654 A C -1.902 175.567 177.584 -0.190 0.000 1.476 654 A CA 0.341 51.978 52.037 -0.666 0.000 0.757 654 A CB -1.560 17.158 19.000 -0.469 0.000 1.072 654 A HN 0.613 nan 8.150 nan 0.000 0.413 655 P HA 0.438 nan 4.420 nan 0.000 0.281 655 P C 0.202 177.481 177.300 -0.035 0.000 1.249 655 P CA -0.277 62.816 63.100 -0.013 0.000 0.810 655 P CB 1.252 32.963 31.700 0.018 0.000 1.008 656 V N 2.352 122.132 119.914 -0.222 0.000 2.637 656 V HA 0.037 3.854 4.120 -0.505 0.000 0.296 656 V C 1.720 177.637 176.094 -0.295 0.000 1.046 656 V CA 1.124 63.144 62.300 -0.466 0.000 1.066 656 V CB 0.548 31.660 31.823 -1.185 0.000 0.968 656 V HN 0.826 nan 8.190 nan 0.000 0.483 657 S N 2.987 118.554 115.700 -0.222 0.000 2.554 657 S HA 0.297 4.464 4.470 -0.505 0.000 0.227 657 S C 0.342 174.823 174.600 -0.199 0.000 1.050 657 S CA -0.257 57.881 58.200 -0.103 0.000 0.927 657 S CB 0.322 63.506 63.200 -0.026 0.000 0.859 657 S HN 0.649 nan 8.310 nan 0.000 0.494 658 K N -0.556 119.630 120.400 -0.357 0.000 2.550 658 K HA 0.319 4.336 4.320 -0.505 0.000 0.252 658 K C -1.257 175.104 176.600 -0.398 0.000 0.943 658 K CA -0.665 55.365 56.287 -0.427 0.000 0.806 658 K CB 0.916 33.013 32.500 -0.673 0.000 1.289 658 K HN 0.174 nan 8.250 nan 0.000 0.435 659 W N 1.925 123.164 121.300 -0.101 0.000 2.519 659 W HA -0.008 4.354 4.660 -0.497 0.000 0.266 659 W C 1.206 177.868 176.519 0.238 0.000 1.253 659 W CA 0.320 57.677 57.345 0.020 0.000 1.274 659 W CB 0.473 29.844 29.460 -0.147 0.000 1.114 659 W HN 0.758 nan 8.180 nan 0.000 0.596 660 E N -0.912 119.499 120.200 0.351 0.000 2.338 660 E HA -0.189 3.858 4.350 -0.505 0.000 0.197 660 E C 1.344 178.106 176.600 0.271 0.000 1.007 660 E CA 0.934 57.480 56.400 0.242 0.000 0.849 660 E CB -0.213 29.512 29.700 0.042 0.000 0.774 660 E HN 0.331 nan 8.360 nan 0.000 0.506 661 Y N -1.362 119.058 120.300 0.201 0.000 2.475 661 Y HA 0.037 4.295 4.550 -0.487 0.000 0.289 661 Y C 0.715 176.749 175.900 0.222 0.000 1.121 661 Y CA -0.198 57.988 58.100 0.144 0.000 1.257 661 Y CB -0.427 38.059 38.460 0.044 0.000 1.026 661 Y HN 0.025 nan 8.280 nan 0.000 0.555 662 Y N 1.953 122.440 120.300 0.310 0.000 2.334 662 Y HA 0.271 4.515 4.550 -0.510 0.000 0.325 662 Y C 0.417 176.558 175.900 0.402 0.000 1.308 662 Y CA -2.066 56.227 58.100 0.322 0.000 1.389 662 Y CB 0.314 39.000 38.460 0.377 0.000 1.328 662 Y HN 0.196 nan 8.280 nan 0.000 0.532 663 D N -0.452 119.741 120.400 -0.344 0.000 2.361 663 D HA 0.074 4.411 4.640 -0.505 0.000 0.239 663 D C 1.003 177.282 176.300 -0.035 0.000 1.200 663 D CA 0.405 54.234 54.000 -0.286 0.000 0.915 663 D CB 0.728 41.094 40.800 -0.723 0.000 1.170 663 D HN 0.479 nan 8.370 nan 0.000 0.444 664 S N 0.702 116.381 115.700 -0.034 0.000 2.348 664 S HA -0.217 3.951 4.470 -0.505 0.000 0.221 664 S C 1.917 176.539 174.600 0.037 0.000 1.033 664 S CA 1.262 59.492 58.200 0.050 0.000 1.010 664 S CB -1.060 62.173 63.200 0.055 0.000 0.891 664 S HN 0.432 nan 8.310 nan 0.000 0.442 665 V N 1.021 120.896 119.914 -0.065 0.000 2.233 665 V HA -0.180 3.638 4.120 -0.505 0.000 0.247 665 V C 2.329 178.368 176.094 -0.093 0.000 1.050 665 V CA 2.271 64.465 62.300 -0.176 0.000 1.010 665 V CB -1.213 30.335 31.823 -0.458 0.000 0.637 665 V HN 0.584 nan 8.190 nan 0.000 0.444 666 Y N 1.385 121.637 120.300 -0.080 0.000 2.114 666 Y HA -0.270 3.979 4.550 -0.502 0.000 0.284 666 Y C 2.727 178.671 175.900 0.073 0.000 1.143 666 Y CA 2.468 60.613 58.100 0.075 0.000 1.135 666 Y CB -0.575 38.098 38.460 0.355 0.000 0.980 666 Y HN 0.240 nan 8.280 nan 0.000 0.499 667 T N 0.124 114.869 114.554 0.318 0.000 2.701 667 T HA -0.182 3.866 4.350 -0.505 0.000 0.263 667 T C 1.588 176.266 174.700 -0.037 0.000 1.040 667 T CA 1.829 64.034 62.100 0.176 0.000 1.147 667 T CB -0.299 68.819 68.868 0.417 0.000 0.865 667 T HN 0.420 nan 8.240 nan 0.000 0.426 668 E N 0.599 120.811 120.200 0.020 0.000 2.153 668 E HA -0.101 3.946 4.350 -0.505 0.000 0.194 668 E C 2.341 178.853 176.600 -0.146 0.000 0.988 668 E CA 0.543 56.947 56.400 0.007 0.000 0.811 668 E CB -0.110 29.626 29.700 0.059 0.000 0.746 668 E HN 0.317 nan 8.360 nan 0.000 0.466 669 R N 0.007 120.300 120.500 -0.344 0.000 2.103 669 R HA -0.209 3.828 4.340 -0.505 0.000 0.242 669 R C 1.303 177.146 176.300 -0.761 0.000 1.142 669 R CA 1.722 57.444 56.100 -0.630 0.000 0.960 669 R CB -0.054 29.602 30.300 -1.073 0.000 0.858 669 R HN 0.245 nan 8.270 nan 0.000 0.439 670 Y N -2.363 117.636 120.300 -0.501 0.000 2.507 670 Y HA 0.215 4.461 4.550 -0.506 0.000 0.263 670 Y C 1.734 177.437 175.900 -0.328 0.000 1.093 670 Y CA 0.029 57.810 58.100 -0.532 0.000 1.285 670 Y CB 0.468 38.454 38.460 -0.790 0.000 1.115 670 Y HN -0.016 nan 8.280 nan 0.000 0.533 671 M N -0.825 118.663 119.600 -0.186 0.000 2.331 671 M HA 0.368 4.545 4.480 -0.505 0.000 0.266 671 M C 1.182 177.500 176.300 0.031 0.000 1.055 671 M CA 0.841 56.020 55.300 -0.201 0.000 1.048 671 M CB -0.148 32.118 32.600 -0.556 0.000 1.460 671 M HN 0.338 nan 8.290 nan 0.000 0.519 672 G N 1.842 110.675 108.800 0.055 0.000 2.539 672 G HA2 -0.251 3.407 3.960 -0.505 0.000 0.256 672 G HA3 -0.251 3.407 3.960 -0.505 0.000 0.256 672 G C -0.495 174.529 174.900 0.207 0.000 1.233 672 G CA -0.603 44.560 45.100 0.105 0.000 0.936 672 G HN 0.343 nan 8.290 nan 0.000 0.571 673 L N 2.136 123.440 121.223 0.135 0.000 2.322 673 L HA 0.468 4.505 4.340 -0.505 0.000 0.279 673 L C -1.608 175.186 176.870 -0.127 0.000 1.036 673 L CA -1.883 52.972 54.840 0.025 0.000 0.807 673 L CB 2.249 44.301 42.059 -0.012 0.000 1.226 673 L HN 0.428 nan 8.230 nan 0.000 0.433 674 P HA 0.065 nan 4.420 nan 0.000 0.225 674 P C -0.557 176.565 177.300 -0.296 0.000 1.768 674 P CA -0.116 62.506 63.100 -0.796 0.000 0.943 674 P CB -0.518 30.480 31.700 -1.170 0.000 1.936 675 T N -2.955 111.513 114.554 -0.143 0.000 2.887 675 T HA 0.433 4.480 4.350 -0.505 0.000 0.288 675 T C -1.986 172.697 174.700 -0.028 0.000 1.021 675 T CA -2.531 59.526 62.100 -0.072 0.000 1.000 675 T CB 1.909 70.746 68.868 -0.052 0.000 1.034 675 T HN -0.225 nan 8.240 nan 0.000 0.467 676 P HA -0.150 nan 4.420 nan 0.000 0.217 676 P C 0.895 178.197 177.300 0.003 0.000 1.148 676 P CA 1.290 64.392 63.100 0.004 0.000 0.828 676 P CB 0.164 31.865 31.700 0.002 0.000 0.783 677 E N -0.829 119.367 120.200 -0.006 0.000 2.204 677 E HA -0.110 3.937 4.350 -0.505 0.000 0.194 677 E C 1.636 178.233 176.600 -0.006 0.000 0.989 677 E CA 0.911 57.307 56.400 -0.007 0.000 0.824 677 E CB -0.332 29.361 29.700 -0.011 0.000 0.756 677 E HN 0.334 nan 8.360 nan 0.000 0.477 678 D N -0.610 119.789 120.400 -0.002 0.000 3.132 678 D HA 0.086 4.423 4.640 -0.505 0.000 0.233 678 D C 0.297 176.613 176.300 0.026 0.000 1.216 678 D CA -0.072 53.932 54.000 0.007 0.000 1.227 678 D CB 0.036 40.843 40.800 0.012 0.000 0.930 678 D HN -0.059 nan 8.370 nan 0.000 0.202 679 N N 0.405 119.154 118.700 0.080 0.000 2.282 679 N HA 0.019 4.456 4.740 -0.505 0.000 0.240 679 N C 1.431 177.124 175.510 0.305 0.000 1.182 679 N CA -0.140 53.003 53.050 0.154 0.000 0.874 679 N CB 0.698 39.288 38.487 0.171 0.000 1.126 679 N HN 0.056 nan 8.380 nan 0.000 0.516 680 L N 1.142 122.465 121.223 0.168 0.000 2.081 680 L HA -0.170 3.867 4.340 -0.505 0.000 0.212 680 L C 1.546 178.553 176.870 0.229 0.000 1.080 680 L CA 1.883 56.812 54.840 0.149 0.000 0.754 680 L CB -0.377 41.698 42.059 0.028 0.000 0.893 680 L HN 0.115 nan 8.230 nan 0.000 0.433 681 D N -1.299 119.227 120.400 0.209 0.000 2.133 681 D HA -0.239 4.098 4.640 -0.505 0.000 0.195 681 D C 1.915 178.414 176.300 0.332 0.000 0.997 681 D CA 1.599 55.742 54.000 0.239 0.000 0.840 681 D CB -0.161 40.787 40.800 0.246 0.000 0.947 681 D HN 0.426 nan 8.370 nan 0.000 0.452 682 Y N -0.948 119.413 120.300 0.102 0.000 2.517 682 Y HA 0.013 4.260 4.550 -0.505 0.000 0.281 682 Y C 1.857 177.802 175.900 0.075 0.000 1.125 682 Y CA -0.141 57.993 58.100 0.058 0.000 1.283 682 Y CB -0.462 38.000 38.460 0.002 0.000 1.042 682 Y HN 0.064 nan 8.280 nan 0.000 0.547 683 Y N -0.344 120.066 120.300 0.183 0.000 2.200 683 Y HA -0.178 4.068 4.550 -0.507 0.000 0.290 683 Y C 2.512 178.472 175.900 0.100 0.000 1.137 683 Y CA 1.380 59.569 58.100 0.148 0.000 1.163 683 Y CB -0.005 38.522 38.460 0.111 0.000 0.988 683 Y HN -0.113 nan 8.280 nan 0.000 0.518 684 R N 0.333 120.973 120.500 0.233 0.000 2.062 684 R HA -0.126 3.911 4.340 -0.505 0.000 0.229 684 R C 1.729 178.065 176.300 0.060 0.000 1.128 684 R CA 1.476 57.647 56.100 0.118 0.000 0.960 684 R CB -0.592 29.764 30.300 0.092 0.000 0.855 684 R HN 0.497 nan 8.270 nan 0.000 0.432 685 N N 0.464 119.181 118.700 0.028 0.000 2.461 685 N HA -0.067 4.370 4.740 -0.505 0.000 0.188 685 N C 0.602 176.088 175.510 -0.040 0.000 1.134 685 N CA 0.831 53.858 53.050 -0.038 0.000 0.878 685 N CB 0.294 38.716 38.487 -0.108 0.000 0.972 685 N HN 0.053 nan 8.380 nan 0.000 0.456 686 S N -0.783 114.934 115.700 0.027 0.000 2.568 686 S HA 0.040 4.207 4.470 -0.505 0.000 0.232 686 S C 0.685 175.377 174.600 0.154 0.000 0.975 686 S CA -0.423 57.838 58.200 0.101 0.000 0.949 686 S CB -0.533 62.780 63.200 0.188 0.000 0.829 686 S HN 0.366 nan 8.310 nan 0.000 0.479 687 T N -0.531 114.062 114.554 0.065 0.000 2.913 687 T HA 0.435 4.483 4.350 -0.505 0.000 0.297 687 T C 1.380 176.080 174.700 -0.001 0.000 1.029 687 T CA -0.505 61.606 62.100 0.018 0.000 1.104 687 T CB 1.249 70.096 68.868 -0.036 0.000 0.964 687 T HN -0.018 nan 8.240 nan 0.000 0.532 688 V N 2.483 122.387 119.914 -0.017 0.000 2.515 688 V HA -0.136 3.681 4.120 -0.505 0.000 0.250 688 V C 2.607 178.675 176.094 -0.044 0.000 1.058 688 V CA 1.566 63.840 62.300 -0.044 0.000 1.064 688 V CB -1.039 30.743 31.823 -0.068 0.000 0.675 688 V HN 0.832 nan 8.190 nan 0.000 0.461 689 M N 1.353 120.913 119.600 -0.067 0.000 2.267 689 M HA -0.151 4.026 4.480 -0.505 0.000 0.263 689 M C 2.299 178.575 176.300 -0.040 0.000 1.063 689 M CA 2.037 57.292 55.300 -0.075 0.000 1.090 689 M CB -0.891 31.674 32.600 -0.060 0.000 1.392 689 M HN 0.549 nan 8.290 nan 0.000 0.422 690 S N -0.528 115.157 115.700 -0.024 0.000 2.453 690 S HA -0.029 4.138 4.470 -0.505 0.000 0.231 690 S C 1.854 176.451 174.600 -0.005 0.000 1.005 690 S CA 0.548 58.739 58.200 -0.014 0.000 0.949 690 S CB -0.294 62.897 63.200 -0.016 0.000 0.774 690 S HN 0.493 nan 8.310 nan 0.000 0.510 691 R N 0.514 121.021 120.500 0.011 0.000 2.388 691 R HA 0.453 4.490 4.340 -0.505 0.000 0.247 691 R C 2.097 178.479 176.300 0.137 0.000 0.931 691 R CA 0.420 56.540 56.100 0.033 0.000 1.082 691 R CB -0.219 30.078 30.300 -0.006 0.000 1.135 691 R HN 0.500 nan 8.270 nan 0.000 0.525 692 A N 1.229 124.107 122.820 0.096 0.000 1.948 692 A HA -0.267 3.750 4.320 -0.505 0.000 0.220 692 A C 1.966 179.637 177.584 0.145 0.000 1.177 692 A CA 1.767 53.855 52.037 0.085 0.000 0.636 692 A CB -0.221 18.747 19.000 -0.054 0.000 0.815 692 A HN 0.218 nan 8.150 nan 0.000 0.449 693 E N 0.465 120.713 120.200 0.080 0.000 2.118 693 E HA -0.163 3.884 4.350 -0.505 0.000 0.195 693 E C 1.573 178.212 176.600 0.066 0.000 0.992 693 E CA 1.734 58.171 56.400 0.062 0.000 0.804 693 E CB -0.516 29.202 29.700 0.031 0.000 0.741 693 E HN 0.792 nan 8.360 nan 0.000 0.458 694 N N -1.285 117.439 118.700 0.039 0.000 2.515 694 N HA -0.031 4.406 4.740 -0.505 0.000 0.185 694 N C 0.601 176.057 175.510 -0.090 0.000 1.109 694 N CA 0.013 53.036 53.050 -0.045 0.000 0.903 694 N CB -0.052 38.361 38.487 -0.125 0.000 0.969 694 N HN 0.116 nan 8.380 nan 0.000 0.450 695 F N 1.344 121.247 119.950 -0.078 0.000 2.699 695 F HA 0.066 4.295 4.527 -0.497 0.000 0.298 695 F C 1.788 177.595 175.800 0.012 0.000 1.154 695 F CA 0.601 58.553 58.000 -0.080 0.000 1.457 695 F CB 0.150 39.052 39.000 -0.163 0.000 1.106 695 F HN -0.052 nan 8.300 nan 0.000 0.585 696 K N -0.197 120.299 120.400 0.160 0.000 2.283 696 K HA -0.160 3.858 4.320 -0.505 0.000 0.202 696 K C 1.618 178.276 176.600 0.098 0.000 1.048 696 K CA 0.985 57.351 56.287 0.131 0.000 0.948 696 K CB -0.175 32.382 32.500 0.095 0.000 0.742 696 K HN 0.377 nan 8.250 nan 0.000 0.458 697 Q N 0.411 120.246 119.800 0.058 0.000 2.389 697 Q HA -0.008 4.029 4.340 -0.505 0.000 0.204 697 Q C 0.636 176.674 176.000 0.063 0.000 0.944 697 Q CA 0.294 56.123 55.803 0.043 0.000 0.908 697 Q CB 0.543 29.285 28.738 0.007 0.000 1.002 697 Q HN 0.160 nan 8.270 nan 0.000 0.493 698 V N -2.898 117.066 119.914 0.082 0.000 3.046 698 V HA 0.449 4.266 4.120 -0.505 0.000 0.316 698 V C -0.738 175.495 176.094 0.232 0.000 1.104 698 V CA -1.177 61.200 62.300 0.129 0.000 1.006 698 V CB 2.131 33.991 31.823 0.061 0.000 1.058 698 V HN -0.071 nan 8.190 nan 0.000 0.440 699 E N 1.638 122.000 120.200 0.271 0.000 2.115 699 E HA 0.349 4.396 4.350 -0.505 0.000 0.282 699 E C -1.812 175.144 176.600 0.593 0.000 0.987 699 E CA -0.385 56.237 56.400 0.370 0.000 0.797 699 E CB 1.287 31.127 29.700 0.234 0.000 1.086 699 E HN 0.674 nan 8.360 nan 0.000 0.397 700 Y N 3.880 124.435 120.300 0.426 0.000 2.341 700 Y HA 0.385 4.633 4.550 -0.503 0.000 0.337 700 Y C -1.183 174.834 175.900 0.194 0.000 1.014 700 Y CA -1.238 57.077 58.100 0.358 0.000 1.111 700 Y CB 0.792 39.491 38.460 0.397 0.000 1.194 700 Y HN 0.411 nan 8.280 nan 0.000 0.462 701 L N 8.078 129.057 121.223 -0.405 0.000 2.343 701 L HA 0.470 4.508 4.340 -0.505 0.000 0.278 701 L C -1.640 174.764 176.870 -0.776 0.000 0.996 701 L CA -0.741 53.671 54.840 -0.714 0.000 0.831 701 L CB 1.132 42.420 42.059 -1.286 0.000 1.232 701 L HN 0.637 nan 8.230 nan 0.000 0.413 702 L N 6.338 127.182 121.223 -0.632 0.000 2.280 702 L HA 0.555 4.593 4.340 -0.505 0.000 0.287 702 L C -0.873 175.879 176.870 -0.196 0.000 1.023 702 L CA -0.479 54.075 54.840 -0.475 0.000 0.819 702 L CB 1.610 43.436 42.059 -0.389 0.000 1.212 702 L HN 0.596 nan 8.230 nan 0.000 0.420 703 I N 4.093 124.572 120.570 -0.152 0.000 2.465 703 I HA 0.460 4.327 4.170 -0.505 0.000 0.291 703 I C -0.673 175.456 176.117 0.019 0.000 1.014 703 I CA -0.572 60.693 61.300 -0.059 0.000 1.093 703 I CB 1.726 39.661 38.000 -0.108 0.000 1.267 703 I HN 0.495 nan 8.210 nan 0.000 0.431 704 H N 3.317 122.461 119.070 0.124 0.000 2.974 704 H HA 0.437 4.703 4.556 -0.484 0.000 0.366 704 H C -0.650 174.897 175.328 0.364 0.000 1.155 704 H CA -0.614 55.572 56.048 0.229 0.000 1.186 704 H CB 2.468 32.376 29.762 0.243 0.000 1.799 704 H HN 0.727 nan 8.280 nan 0.000 0.541 705 G N 1.047 110.167 108.800 0.535 0.000 2.370 705 G HA2 0.199 3.856 3.960 -0.505 0.000 0.272 705 G HA3 0.199 3.856 3.960 -0.505 0.000 0.272 705 G C 1.105 176.222 174.900 0.361 0.000 1.208 705 G CA 0.175 45.530 45.100 0.425 0.000 0.856 705 G HN 0.662 nan 8.290 nan 0.000 0.500 706 T N -0.551 114.033 114.554 0.050 0.000 3.007 706 T HA 0.050 4.097 4.350 -0.505 0.000 0.270 706 T C 1.749 176.350 174.700 -0.165 0.000 1.107 706 T CA 1.284 63.189 62.100 -0.324 0.000 1.118 706 T CB 0.159 68.790 68.868 -0.394 0.000 0.889 706 T HN 0.655 nan 8.240 nan 0.000 0.506 707 A N 0.835 123.653 122.820 -0.003 0.000 2.507 707 A HA 0.289 4.306 4.320 -0.505 0.000 0.270 707 A C 0.505 178.033 177.584 -0.093 0.000 1.318 707 A CA -0.485 51.555 52.037 0.004 0.000 0.924 707 A CB -0.225 19.035 19.000 0.433 0.000 1.061 707 A HN 0.375 nan 8.150 nan 0.000 0.516 708 D N 1.627 121.999 120.400 -0.047 0.000 2.349 708 D HA -0.020 4.317 4.640 -0.505 0.000 0.266 708 D C 0.364 176.639 176.300 -0.040 0.000 1.293 708 D CA 0.250 54.331 54.000 0.134 0.000 0.926 708 D CB 0.653 41.709 40.800 0.427 0.000 1.090 708 D HN 0.569 nan 8.370 nan 0.000 0.502 709 D N 2.409 122.866 120.400 0.095 0.000 2.333 709 D HA -0.136 4.201 4.640 -0.505 0.000 0.208 709 D C 0.950 177.241 176.300 -0.016 0.000 0.984 709 D CA -0.049 53.985 54.000 0.056 0.000 0.873 709 D CB 0.432 41.273 40.800 0.068 0.000 0.935 709 D HN 0.215 nan 8.370 nan 0.000 0.521 710 N N 0.944 119.731 118.700 0.145 0.000 2.358 710 N HA -0.048 4.389 4.740 -0.505 0.000 0.209 710 N C -0.058 175.396 175.510 -0.094 0.000 1.033 710 N CA 0.472 53.650 53.050 0.214 0.000 1.021 710 N CB 0.206 38.755 38.487 0.102 0.000 1.244 710 N HN -0.112 nan 8.380 nan 0.000 0.523 711 V N 2.883 122.729 119.914 -0.113 0.000 2.353 711 V HA 0.177 3.994 4.120 -0.505 0.000 0.264 711 V C -0.347 175.784 176.094 0.062 0.000 1.049 711 V CA -0.312 61.975 62.300 -0.021 0.000 0.896 711 V CB -0.415 31.428 31.823 0.033 0.000 1.025 711 V HN 0.308 nan 8.190 nan 0.000 0.475 712 H N 3.219 122.267 119.070 -0.037 0.000 2.771 712 H HA 0.032 4.283 4.556 -0.508 0.000 0.364 712 H C 0.727 175.874 175.328 -0.302 0.000 1.133 712 H CA -0.165 55.771 56.048 -0.188 0.000 1.423 712 H CB 0.769 30.337 29.762 -0.324 0.000 1.425 712 H HN 0.616 nan 8.280 nan 0.000 0.606 713 F N 1.696 121.409 119.950 -0.395 0.000 2.192 713 F HA -0.283 4.158 4.527 -0.143 0.000 0.301 713 F C 2.579 178.099 175.800 -0.466 0.000 1.079 713 F CA 1.717 59.313 58.000 -0.674 0.000 1.303 713 F CB -0.233 38.550 39.000 -0.361 0.000 1.024 713 F HN 0.663 nan 8.300 nan 0.000 0.494 714 Q N 0.214 119.830 119.800 -0.306 0.000 2.142 714 Q HA -0.339 3.698 4.340 -0.505 0.000 0.213 714 Q C 2.114 177.832 176.000 -0.470 0.000 1.004 714 Q CA 2.480 58.047 55.803 -0.394 0.000 0.883 714 Q CB -0.410 28.080 28.738 -0.414 0.000 0.939 714 Q HN 0.573 nan 8.270 nan 0.000 0.413 715 Q N -0.320 119.257 119.800 -0.371 0.000 2.045 715 Q HA -0.149 3.888 4.340 -0.505 0.000 0.206 715 Q C 2.258 178.143 176.000 -0.192 0.000 0.991 715 Q CA 1.915 57.626 55.803 -0.153 0.000 0.851 715 Q CB -0.223 28.504 28.738 -0.017 0.000 0.911 715 Q HN 0.347 nan 8.270 nan 0.000 0.418 716 S N 0.317 115.798 115.700 -0.366 0.000 2.436 716 S HA 0.034 4.201 4.470 -0.505 0.000 0.228 716 S C 1.952 176.295 174.600 -0.428 0.000 1.014 716 S CA 0.628 58.632 58.200 -0.326 0.000 0.950 716 S CB -0.008 63.029 63.200 -0.272 0.000 0.784 716 S HN 0.457 nan 8.310 nan 0.000 0.504 717 A N 1.463 123.899 122.820 -0.641 0.000 1.898 717 A HA -0.106 3.912 4.320 -0.505 0.000 0.216 717 A C 2.131 179.578 177.584 -0.229 0.000 1.181 717 A CA 1.051 52.814 52.037 -0.457 0.000 0.620 717 A CB -0.407 18.320 19.000 -0.455 0.000 0.819 717 A HN 0.362 nan 8.150 nan 0.000 0.442 718 Q N -1.018 118.662 119.800 -0.201 0.000 2.172 718 Q HA -0.087 3.951 4.340 -0.505 0.000 0.200 718 Q C 2.070 178.028 176.000 -0.071 0.000 0.964 718 Q CA 1.077 56.833 55.803 -0.078 0.000 0.855 718 Q CB -0.459 28.306 28.738 0.044 0.000 0.918 718 Q HN 0.575 nan 8.270 nan 0.000 0.444 719 L N 1.278 122.435 121.223 -0.110 0.000 1.994 719 L HA -0.157 3.880 4.340 -0.505 0.000 0.208 719 L C 2.423 179.146 176.870 -0.246 0.000 1.071 719 L CA 2.452 57.192 54.840 -0.166 0.000 0.745 719 L CB -1.114 40.851 42.059 -0.157 0.000 0.892 719 L HN 0.228 nan 8.230 nan 0.000 0.431 720 S N -0.802 114.780 115.700 -0.196 0.000 2.382 720 S HA -0.298 3.870 4.470 -0.505 0.000 0.228 720 S C 2.159 176.747 174.600 -0.020 0.000 1.027 720 S CA 1.461 59.582 58.200 -0.131 0.000 0.991 720 S CB -0.662 62.632 63.200 0.157 0.000 0.823 720 S HN 0.556 nan 8.310 nan 0.000 0.469 721 K N 1.677 122.059 120.400 -0.029 0.000 2.057 721 K HA 0.039 4.057 4.320 -0.505 0.000 0.207 721 K C 2.227 178.814 176.600 -0.022 0.000 1.049 721 K CA 1.239 57.525 56.287 -0.002 0.000 0.931 721 K CB -0.731 31.759 32.500 -0.017 0.000 0.714 721 K HN 0.458 nan 8.250 nan 0.000 0.440 722 A N 0.826 123.602 122.820 -0.073 0.000 1.930 722 A HA -0.057 3.961 4.320 -0.505 0.000 0.217 722 A C 2.069 179.590 177.584 -0.105 0.000 1.175 722 A CA 1.163 53.152 52.037 -0.080 0.000 0.627 722 A CB -0.508 18.435 19.000 -0.096 0.000 0.815 722 A HN 0.319 nan 8.150 nan 0.000 0.443 723 L N -0.677 120.421 121.223 -0.209 0.000 2.056 723 L HA -0.127 3.910 4.340 -0.505 0.000 0.207 723 L C 2.481 179.366 176.870 0.025 0.000 1.078 723 L CA 0.845 55.538 54.840 -0.245 0.000 0.749 723 L CB -0.572 41.020 42.059 -0.778 0.000 0.901 723 L HN 0.221 nan 8.230 nan 0.000 0.433 724 V N -0.135 119.858 119.914 0.131 0.000 2.343 724 V HA -0.294 3.523 4.120 -0.505 0.000 0.247 724 V C 2.071 178.216 176.094 0.085 0.000 1.051 724 V CA 1.898 64.304 62.300 0.176 0.000 1.036 724 V CB -0.502 31.420 31.823 0.165 0.000 0.654 724 V HN 0.426 nan 8.190 nan 0.000 0.451 725 D N 0.392 120.818 120.400 0.044 0.000 2.178 725 D HA -0.076 4.261 4.640 -0.505 0.000 0.202 725 D C 2.068 178.384 176.300 0.027 0.000 0.974 725 D CA 1.540 55.556 54.000 0.027 0.000 0.841 725 D CB -0.202 40.605 40.800 0.010 0.000 0.953 725 D HN 0.468 nan 8.370 nan 0.000 0.478 726 A N -0.359 122.475 122.820 0.023 0.000 2.169 726 A HA 0.374 4.391 4.320 -0.505 0.000 0.212 726 A C 1.697 179.311 177.584 0.051 0.000 1.153 726 A CA 1.102 53.156 52.037 0.029 0.000 0.756 726 A CB -0.185 18.825 19.000 0.016 0.000 0.813 726 A HN 0.246 nan 8.150 nan 0.000 0.471 727 G N -1.146 107.696 108.800 0.070 0.000 2.149 727 G HA2 -0.159 3.498 3.960 -0.505 0.000 0.235 727 G HA3 -0.159 3.498 3.960 -0.505 0.000 0.235 727 G C -0.007 174.962 174.900 0.116 0.000 1.018 727 G CA 0.098 45.249 45.100 0.085 0.000 0.728 727 G HN 0.786 nan 8.290 nan 0.000 0.508 728 V N 0.554 120.561 119.914 0.154 0.000 2.432 728 V HA 0.448 4.265 4.120 -0.505 0.000 0.275 728 V C 0.511 176.817 176.094 0.354 0.000 1.043 728 V CA -0.400 62.028 62.300 0.212 0.000 0.925 728 V CB 1.669 33.587 31.823 0.158 0.000 0.985 728 V HN 0.410 nan 8.190 nan 0.000 0.466 729 D N 4.321 124.892 120.400 0.286 0.000 2.304 729 D HA 0.577 4.914 4.640 -0.505 0.000 0.250 729 D C -0.654 175.895 176.300 0.414 0.000 1.107 729 D CA 0.151 54.303 54.000 0.254 0.000 0.885 729 D CB 0.627 41.508 40.800 0.136 0.000 1.192 729 D HN 0.371 nan 8.370 nan 0.000 0.436 730 F N -0.027 119.996 119.950 0.122 0.000 2.741 730 F HA 0.421 4.638 4.527 -0.516 0.000 0.311 730 F C -1.203 174.643 175.800 0.077 0.000 1.149 730 F CA -1.114 56.978 58.000 0.154 0.000 0.930 730 F CB 0.812 39.933 39.000 0.202 0.000 1.312 730 F HN 0.178 nan 8.300 nan 0.000 0.450 731 Q N 0.808 120.667 119.800 0.098 0.000 2.226 731 Q HA 0.690 4.727 4.340 -0.505 0.000 0.256 731 Q C -1.187 174.768 176.000 -0.075 0.000 0.962 731 Q CA -0.850 54.921 55.803 -0.054 0.000 0.887 731 Q CB 2.332 31.088 28.738 0.030 0.000 1.282 731 Q HN 0.869 nan 8.270 nan 0.000 0.449 732 T N 1.410 115.902 114.554 -0.104 0.000 2.903 732 T HA 0.650 4.698 4.350 -0.505 0.000 0.299 732 T C -1.701 172.925 174.700 -0.124 0.000 1.093 732 T CA -0.562 61.502 62.100 -0.060 0.000 1.002 732 T CB 1.106 69.981 68.868 0.012 0.000 1.127 732 T HN 0.507 nan 8.240 nan 0.000 0.488 733 M N 4.015 123.532 119.600 -0.137 0.000 2.284 733 M HA 0.444 4.621 4.480 -0.505 0.000 0.229 733 M C -1.994 174.153 176.300 -0.256 0.000 0.984 733 M CA -0.641 54.438 55.300 -0.369 0.000 1.016 733 M CB 0.767 33.072 32.600 -0.493 0.000 2.379 733 M HN 0.690 nan 8.290 nan 0.000 0.459 734 W N 4.473 125.629 121.300 -0.240 0.000 2.261 734 W HA 0.681 5.184 4.660 -0.262 0.000 0.323 734 W C -1.895 174.370 176.519 -0.423 0.000 1.243 734 W CA -0.541 56.718 57.345 -0.144 0.000 1.210 734 W CB 0.162 29.577 29.460 -0.075 0.000 1.149 734 W HN 0.599 nan 8.180 nan 0.000 0.562 735 Y N 3.122 123.519 120.300 0.162 0.000 2.388 735 Y HA 0.282 4.530 4.550 -0.503 0.000 0.328 735 Y C 0.561 176.543 175.900 0.136 0.000 0.963 735 Y CA -1.108 57.017 58.100 0.041 0.000 1.240 735 Y CB 1.182 39.635 38.460 -0.011 0.000 1.118 735 Y HN 0.427 nan 8.280 nan 0.000 0.484 736 T N 4.643 119.359 114.554 0.270 0.000 2.871 736 T HA -0.010 4.038 4.350 -0.505 0.000 0.296 736 T C 0.188 174.928 174.700 0.068 0.000 0.998 736 T CA 0.614 62.804 62.100 0.150 0.000 1.162 736 T CB -0.098 68.811 68.868 0.068 0.000 0.947 736 T HN 0.708 nan 8.240 nan 0.000 0.536 737 D N 0.763 121.155 120.400 -0.014 0.000 3.046 737 D HA -0.122 4.215 4.640 -0.505 0.000 0.210 737 D C 0.212 176.589 176.300 0.128 0.000 1.124 737 D CA 1.139 55.028 54.000 -0.185 0.000 0.986 737 D CB -0.390 40.104 40.800 -0.511 0.000 1.118 737 D HN 0.549 nan 8.370 nan 0.000 0.416 738 E N 1.062 121.369 120.200 0.179 0.000 2.301 738 E HA 0.310 4.357 4.350 -0.505 0.000 0.275 738 E C 0.833 177.599 176.600 0.277 0.000 1.030 738 E CA -0.252 56.285 56.400 0.230 0.000 0.852 738 E CB 1.130 30.947 29.700 0.195 0.000 1.060 738 E HN 0.338 nan 8.360 nan 0.000 0.401 739 D N 0.202 120.789 120.400 0.311 0.000 2.406 739 D HA -0.023 4.314 4.640 -0.505 0.000 0.288 739 D C 1.105 177.639 176.300 0.389 0.000 1.186 739 D CA -0.045 54.167 54.000 0.353 0.000 1.098 739 D CB -0.235 40.803 40.800 0.398 0.000 1.160 739 D HN 0.411 nan 8.370 nan 0.000 0.561 740 H N -1.605 117.650 119.070 0.308 0.000 2.462 740 H HA 0.184 4.434 4.556 -0.510 0.000 0.292 740 H C 1.879 177.478 175.328 0.452 0.000 1.049 740 H CA 1.838 58.091 56.048 0.343 0.000 1.334 740 H CB -0.330 29.620 29.762 0.313 0.000 1.404 740 H HN 0.466 nan 8.280 nan 0.000 0.544 741 G N -0.260 108.729 108.800 0.315 0.000 2.777 741 G HA2 0.042 3.699 3.960 -0.505 0.000 0.211 741 G HA3 0.042 3.699 3.960 -0.505 0.000 0.211 741 G C 0.555 175.693 174.900 0.396 0.000 1.149 741 G CA 0.213 45.430 45.100 0.195 0.000 0.785 741 G HN 0.494 nan 8.290 nan 0.000 0.536 742 I N 0.130 120.926 120.570 0.375 0.000 3.859 742 I HA -0.334 3.534 4.170 -0.505 0.000 0.126 742 I C 1.559 177.815 176.117 0.232 0.000 1.065 742 I CA 0.167 61.614 61.300 0.245 0.000 2.735 742 I CB -1.263 36.806 38.000 0.114 0.000 1.465 742 I HN 0.252 nan 8.210 nan 0.000 0.341 743 A N 1.540 124.474 122.820 0.191 0.000 2.348 743 A HA 0.232 4.249 4.320 -0.505 0.000 0.224 743 A C 1.210 178.852 177.584 0.096 0.000 1.227 743 A CA 0.612 52.733 52.037 0.138 0.000 0.885 743 A CB 0.148 19.203 19.000 0.091 0.000 0.933 743 A HN 0.675 nan 8.150 nan 0.000 0.506 744 S N -0.132 115.635 115.700 0.111 0.000 2.579 744 S HA 0.032 4.199 4.470 -0.505 0.000 0.275 744 S C 1.046 175.698 174.600 0.088 0.000 1.345 744 S CA -0.003 58.252 58.200 0.091 0.000 1.031 744 S CB 0.319 63.577 63.200 0.097 0.000 0.892 744 S HN 0.456 nan 8.310 nan 0.000 0.529 745 N N 1.659 120.397 118.700 0.064 0.000 2.011 745 N HA -0.151 4.286 4.740 -0.505 0.000 0.199 745 N C 1.656 177.226 175.510 0.101 0.000 1.047 745 N CA 1.987 55.075 53.050 0.064 0.000 0.863 745 N CB -0.300 38.212 38.487 0.042 0.000 1.056 745 N HN 0.631 nan 8.380 nan 0.000 0.427 746 M N 0.492 120.139 119.600 0.079 0.000 2.254 746 M HA 0.019 4.197 4.480 -0.505 0.000 0.265 746 M C 2.214 178.561 176.300 0.080 0.000 1.066 746 M CA 0.559 55.907 55.300 0.081 0.000 1.123 746 M CB -1.420 31.216 32.600 0.060 0.000 1.388 746 M HN 0.116 nan 8.290 nan 0.000 0.425 747 A N -0.855 121.985 122.820 0.034 0.000 1.898 747 A HA -0.205 3.813 4.320 -0.505 0.000 0.216 747 A C 2.085 179.598 177.584 -0.118 0.000 1.181 747 A CA 2.058 54.032 52.037 -0.106 0.000 0.620 747 A CB -1.053 17.869 19.000 -0.129 0.000 0.819 747 A HN 0.569 nan 8.150 nan 0.000 0.442 748 H N -0.369 118.676 119.070 -0.042 0.000 2.319 748 H HA -0.135 4.117 4.556 -0.506 0.000 0.299 748 H C 2.175 177.566 175.328 0.105 0.000 1.092 748 H CA 2.319 58.401 56.048 0.057 0.000 1.302 748 H CB -0.178 29.635 29.762 0.085 0.000 1.373 748 H HN 0.549 nan 8.280 nan 0.000 0.497 749 Q N -0.893 118.962 119.800 0.090 0.000 2.061 749 Q HA -0.216 3.821 4.340 -0.505 0.000 0.204 749 Q C 2.267 178.277 176.000 0.017 0.000 0.984 749 Q CA 1.528 57.353 55.803 0.036 0.000 0.846 749 Q CB -0.237 28.548 28.738 0.079 0.000 0.902 749 Q HN 0.662 nan 8.270 nan 0.000 0.421 750 H N 0.441 119.485 119.070 -0.043 0.000 2.357 750 H HA -0.082 4.173 4.556 -0.501 0.000 0.301 750 H C 2.085 177.400 175.328 -0.023 0.000 1.082 750 H CA 1.294 57.342 56.048 0.000 0.000 1.342 750 H CB -0.015 29.787 29.762 0.067 0.000 1.389 750 H HN 0.273 nan 8.280 nan 0.000 0.511 751 I N 0.159 120.652 120.570 -0.129 0.000 2.179 751 I HA -0.332 3.535 4.170 -0.505 0.000 0.242 751 I C 1.816 177.678 176.117 -0.425 0.000 1.088 751 I CA 1.291 62.421 61.300 -0.284 0.000 1.357 751 I CB -0.249 37.375 38.000 -0.627 0.000 1.051 751 I HN 0.137 nan 8.210 nan 0.000 0.409 752 Y N 0.922 120.976 120.300 -0.410 0.000 2.242 752 Y HA -0.199 4.051 4.550 -0.499 0.000 0.291 752 Y C 2.727 178.431 175.900 -0.326 0.000 1.137 752 Y CA 1.797 59.527 58.100 -0.618 0.000 1.181 752 Y CB -1.049 37.028 38.460 -0.639 0.000 0.989 752 Y HN 0.164 nan 8.280 nan 0.000 0.527 753 T N -1.534 112.970 114.554 -0.082 0.000 2.708 753 T HA -0.254 3.793 4.350 -0.505 0.000 0.266 753 T C 1.594 176.270 174.700 -0.040 0.000 1.037 753 T CA 1.993 64.039 62.100 -0.089 0.000 1.146 753 T CB -0.505 68.308 68.868 -0.091 0.000 0.865 753 T HN 0.429 nan 8.240 nan 0.000 0.435 754 H N 0.626 119.614 119.070 -0.137 0.000 2.389 754 H HA 0.161 4.418 4.556 -0.499 0.000 0.299 754 H C 2.155 177.489 175.328 0.011 0.000 1.081 754 H CA 1.368 57.388 56.048 -0.047 0.000 1.345 754 H CB -0.226 29.481 29.762 -0.092 0.000 1.393 754 H HN 0.237 nan 8.280 nan 0.000 0.520 755 M N -0.915 118.642 119.600 -0.072 0.000 2.229 755 M HA -0.132 4.045 4.480 -0.505 0.000 0.264 755 M C 2.287 178.717 176.300 0.216 0.000 1.063 755 M CA 1.217 56.476 55.300 -0.068 0.000 1.114 755 M CB 0.127 32.457 32.600 -0.450 0.000 1.387 755 M HN 0.222 nan 8.290 nan 0.000 0.420 756 S N -0.773 115.073 115.700 0.243 0.000 2.368 756 S HA -0.122 4.045 4.470 -0.505 0.000 0.224 756 S C 1.682 176.341 174.600 0.099 0.000 1.029 756 S CA 0.877 59.266 58.200 0.315 0.000 0.988 756 S CB -0.430 62.944 63.200 0.291 0.000 0.838 756 S HN 0.468 nan 8.310 nan 0.000 0.462 757 H N -0.294 118.835 119.070 0.098 0.000 2.389 757 H HA 0.014 4.266 4.556 -0.506 0.000 0.299 757 H C 1.931 177.253 175.328 -0.011 0.000 1.081 757 H CA 1.082 57.143 56.048 0.022 0.000 1.345 757 H CB -0.561 29.181 29.762 -0.034 0.000 1.393 757 H HN 0.455 nan 8.280 nan 0.000 0.520 758 F N 1.005 120.921 119.950 -0.058 0.000 2.146 758 F HA -0.132 4.096 4.527 -0.498 0.000 0.298 758 F C 2.394 178.133 175.800 -0.101 0.000 1.096 758 F CA 0.860 58.793 58.000 -0.110 0.000 1.275 758 F CB -0.446 38.453 39.000 -0.168 0.000 1.008 758 F HN -0.006 nan 8.300 nan 0.000 0.480 759 L N 0.187 121.404 121.223 -0.010 0.000 2.056 759 L HA -0.199 3.838 4.340 -0.505 0.000 0.207 759 L C 2.486 179.154 176.870 -0.337 0.000 1.078 759 L CA 1.434 56.112 54.840 -0.270 0.000 0.749 759 L CB -0.522 41.475 42.059 -0.104 0.000 0.901 759 L HN 0.133 nan 8.230 nan 0.000 0.433 760 K N -0.486 119.863 120.400 -0.085 0.000 2.057 760 K HA -0.218 3.800 4.320 -0.505 0.000 0.207 760 K C 2.002 178.590 176.600 -0.021 0.000 1.049 760 K CA 1.307 57.603 56.287 0.015 0.000 0.931 760 K CB -0.098 32.453 32.500 0.083 0.000 0.714 760 K HN 0.445 nan 8.250 nan 0.000 0.440 761 Q N -0.020 119.724 119.800 -0.093 0.000 2.124 761 Q HA -0.182 3.855 4.340 -0.505 0.000 0.202 761 Q C 2.400 178.298 176.000 -0.170 0.000 0.977 761 Q CA 1.288 57.021 55.803 -0.117 0.000 0.850 761 Q CB -0.187 28.461 28.738 -0.149 0.000 0.901 761 Q HN 0.403 nan 8.270 nan 0.000 0.429 762 c N -0.291 118.112 118.600 -0.329 0.000 2.457 762 c HA -0.045 4.222 4.570 -0.505 0.000 0.278 762 c C 1.876 175.955 174.090 -0.018 0.000 1.309 762 c CA 0.169 56.312 56.329 -0.310 0.000 1.735 762 c CB -0.796 41.359 42.510 -0.591 0.000 1.992 762 c HN 0.392 nan 8.230 nan 0.000 0.493 763 F N 1.996 121.909 119.950 -0.061 0.000 2.732 763 F HA 0.260 4.486 4.527 -0.502 0.000 0.303 763 F C 1.572 177.360 175.800 -0.022 0.000 1.110 763 F CA 0.275 58.260 58.000 -0.024 0.000 1.355 763 F CB -1.243 37.751 39.000 -0.011 0.000 1.081 763 F HN 0.203 nan 8.300 nan 0.000 0.565 764 S N 1.113 116.894 115.700 0.136 0.000 3.628 764 S HA -0.216 3.952 4.470 -0.505 0.000 0.373 764 S C -0.093 174.553 174.600 0.076 0.000 0.968 764 S CA 0.119 58.364 58.200 0.074 0.000 1.215 764 S CB -1.893 61.340 63.200 0.054 0.000 0.912 764 S HN 0.244 nan 8.310 nan 0.000 0.495 765 L N 2.057 123.335 121.223 0.091 0.000 2.307 765 L HA 0.521 4.559 4.340 -0.505 0.000 0.284 765 L C -1.182 175.730 176.870 0.070 0.000 1.023 765 L CA -1.870 53.021 54.840 0.084 0.000 0.810 765 L CB 1.146 43.274 42.059 0.115 0.000 1.231 765 L HN 0.123 nan 8.230 nan 0.000 0.423 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.134 63.100 0.056 0.000 0.800 766 P CB 0.000 31.726 31.700 0.043 0.000 0.726