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 2ajd_1_B 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 0.000 174.653 174.600 0.088 0.000 1.055 39 S CA 0.000 58.242 58.200 0.069 0.000 1.107 39 S CB 0.000 63.233 63.200 0.054 0.000 0.593 40 R N 0.496 121.041 120.500 0.075 0.000 1.516 40 R HA 0.016 4.176 4.340 -0.301 0.000 0.427 40 R C -0.977 175.367 176.300 0.073 0.000 1.308 40 R CA 0.260 56.406 56.100 0.077 0.000 1.110 40 R CB -0.314 30.040 30.300 0.090 0.000 3.153 40 R HN 0.837 nan 8.270 nan 0.000 0.525 41 R N 1.152 121.699 120.500 0.078 0.000 2.500 41 R HA 0.361 4.521 4.340 -0.301 0.000 0.275 41 R C -0.081 176.266 176.300 0.079 0.000 1.051 41 R CA 0.265 56.416 56.100 0.087 0.000 1.088 41 R CB 0.994 31.363 30.300 0.115 0.000 1.063 41 R HN 0.667 nan 8.270 nan 0.000 0.511 42 T N -0.067 114.539 114.554 0.087 0.000 2.918 42 T HA 0.174 4.344 4.350 -0.301 0.000 0.286 42 T C -0.500 174.300 174.700 0.167 0.000 1.026 42 T CA -0.642 61.511 62.100 0.088 0.000 1.031 42 T CB 0.950 69.851 68.868 0.056 0.000 1.046 42 T HN 0.527 nan 8.240 nan 0.000 0.479 43 Y N 3.504 123.831 120.300 0.045 0.000 2.697 43 Y HA 0.281 4.650 4.550 -0.301 0.000 0.349 43 Y C 1.199 177.238 175.900 0.232 0.000 1.120 43 Y CA -0.036 58.136 58.100 0.120 0.000 1.468 43 Y CB -0.391 38.104 38.460 0.059 0.000 1.182 43 Y HN 0.980 nan 8.280 nan 0.000 0.525 44 T N 2.703 117.310 114.554 0.087 0.000 2.849 44 T HA 0.086 4.255 4.350 -0.301 0.000 0.284 44 T C 1.096 175.883 174.700 0.145 0.000 1.004 44 T CA -0.647 61.573 62.100 0.200 0.000 1.021 44 T CB 1.141 70.063 68.868 0.090 0.000 1.013 44 T HN 0.698 nan 8.240 nan 0.000 0.527 45 L N 1.273 122.519 121.223 0.039 0.000 2.046 45 L HA -0.006 4.154 4.340 -0.301 0.000 0.208 45 L C 2.547 179.332 176.870 -0.142 0.000 1.077 45 L CA 2.123 56.712 54.840 -0.418 0.000 0.747 45 L CB -1.635 39.966 42.059 -0.763 0.000 0.896 45 L HN 0.936 nan 8.230 nan 0.000 0.432 46 T N -0.334 114.155 114.554 -0.108 0.000 2.788 46 T HA -0.168 4.002 4.350 -0.301 0.000 0.268 46 T C 1.533 176.154 174.700 -0.131 0.000 1.044 46 T CA 1.472 63.511 62.100 -0.102 0.000 1.139 46 T CB -0.388 68.439 68.868 -0.070 0.000 0.867 46 T HN 0.452 nan 8.240 nan 0.000 0.454 47 D N 0.007 120.297 120.400 -0.183 0.000 2.123 47 D HA -0.103 4.356 4.640 -0.301 0.000 0.196 47 D C 1.760 177.923 176.300 -0.228 0.000 0.992 47 D CA 1.132 54.953 54.000 -0.300 0.000 0.833 47 D CB -0.218 40.189 40.800 -0.655 0.000 0.954 47 D HN 0.443 nan 8.370 nan 0.000 0.455 48 Y N 1.466 121.629 120.300 -0.229 0.000 2.184 48 Y HA -0.050 4.319 4.550 -0.302 0.000 0.290 48 Y C 2.209 178.138 175.900 0.049 0.000 1.129 48 Y CA 1.008 59.171 58.100 0.105 0.000 1.144 48 Y CB -0.532 38.077 38.460 0.247 0.000 0.995 48 Y HN -0.127 nan 8.280 nan 0.000 0.513 49 L N 0.074 121.067 121.223 -0.383 0.000 2.056 49 L HA -0.159 4.001 4.340 -0.301 0.000 0.207 49 L C 1.836 178.572 176.870 -0.223 0.000 1.078 49 L CA 1.339 55.937 54.840 -0.404 0.000 0.749 49 L CB -0.428 41.490 42.059 -0.234 0.000 0.901 49 L HN 0.022 nan 8.230 nan 0.000 0.433 50 K N -0.297 120.010 120.400 -0.156 0.000 2.387 50 K HA 0.181 4.321 4.320 -0.301 0.000 0.198 50 K C 0.675 177.224 176.600 -0.086 0.000 1.022 50 K CA 0.015 56.241 56.287 -0.103 0.000 1.128 50 K CB 0.568 33.012 32.500 -0.093 0.000 0.853 50 K HN 0.054 nan 8.250 nan 0.000 0.523 51 S N 1.181 116.834 115.700 -0.077 0.000 3.549 51 S HA -0.179 4.111 4.470 -0.301 0.000 0.366 51 S C 1.489 176.079 174.600 -0.016 0.000 1.012 51 S CA 1.111 59.315 58.200 0.008 0.000 1.141 51 S CB -1.659 61.550 63.200 0.016 0.000 0.910 51 S HN 0.694 nan 8.310 nan 0.000 0.471 52 T N -1.762 112.730 114.554 -0.102 0.000 2.699 52 T HA -0.112 4.057 4.350 -0.301 0.000 0.268 52 T C 0.440 174.902 174.700 -0.397 0.000 1.036 52 T CA 1.075 63.001 62.100 -0.290 0.000 1.147 52 T CB -0.425 68.169 68.868 -0.456 0.000 0.862 52 T HN 0.371 nan 8.240 nan 0.000 0.446 53 F N 2.451 122.456 119.950 0.091 0.000 2.350 53 F HA 0.626 4.972 4.527 -0.301 0.000 0.365 53 F C 0.635 176.521 175.800 0.143 0.000 1.122 53 F CA -1.409 56.676 58.000 0.142 0.000 1.139 53 F CB 0.775 39.924 39.000 0.248 0.000 1.220 53 F HN -0.024 nan 8.300 nan 0.000 0.499 54 R N 1.754 122.370 120.500 0.193 0.000 2.531 54 R HA 0.621 4.781 4.340 -0.301 0.000 0.273 54 R C -1.382 175.018 176.300 0.167 0.000 1.070 54 R CA -0.299 55.883 56.100 0.136 0.000 1.112 54 R CB 0.916 31.236 30.300 0.035 0.000 1.049 54 R HN 0.423 nan 8.270 nan 0.000 0.508 55 V N 5.238 125.243 119.914 0.152 0.000 2.340 55 V HA 0.301 4.241 4.120 -0.301 0.000 0.277 55 V C -0.195 175.917 176.094 0.030 0.000 1.017 55 V CA -0.824 61.582 62.300 0.178 0.000 0.820 55 V CB 1.095 33.109 31.823 0.319 0.000 1.028 55 V HN 0.747 nan 8.190 nan 0.000 0.436 56 K N 4.083 124.415 120.400 -0.114 0.000 2.187 56 K HA 0.641 4.780 4.320 -0.301 0.000 0.247 56 K C -0.553 175.854 176.600 -0.322 0.000 1.019 56 K CA 0.102 56.122 56.287 -0.445 0.000 0.893 56 K CB 0.573 32.912 32.500 -0.268 0.000 1.025 56 K HN 0.551 nan 8.250 nan 0.000 0.500 57 F N -1.874 117.995 119.950 -0.135 0.000 2.923 57 F HA 0.413 4.759 4.527 -0.301 0.000 0.323 57 F C -1.439 174.000 175.800 -0.602 0.000 1.189 57 F CA -1.400 56.240 58.000 -0.601 0.000 0.930 57 F CB 0.675 39.500 39.000 -0.291 0.000 1.414 57 F HN 0.316 nan 8.300 nan 0.000 0.496 58 Y N 0.874 120.703 120.300 -0.785 0.000 2.445 58 Y HA 0.551 4.921 4.550 -0.301 0.000 0.332 58 Y C -0.828 175.017 175.900 -0.091 0.000 1.037 58 Y CA -0.822 57.109 58.100 -0.283 0.000 1.296 58 Y CB 1.323 39.549 38.460 -0.390 0.000 1.099 58 Y HN 0.722 nan 8.280 nan 0.000 0.496 59 T N 7.006 121.649 114.554 0.148 0.000 2.771 59 T HA 0.572 4.741 4.350 -0.301 0.000 0.291 59 T C -0.695 174.095 174.700 0.150 0.000 0.954 59 T CA -0.310 61.864 62.100 0.122 0.000 1.045 59 T CB 0.291 69.198 68.868 0.064 0.000 0.917 59 T HN 0.529 nan 8.240 nan 0.000 0.484 60 L N 1.350 122.601 121.223 0.047 0.000 2.327 60 L HA 0.712 4.871 4.340 -0.301 0.000 0.258 60 L C -0.892 175.928 176.870 -0.083 0.000 1.024 60 L CA -0.946 53.862 54.840 -0.053 0.000 0.825 60 L CB 1.797 43.521 42.059 -0.558 0.000 1.386 60 L HN 0.437 nan 8.230 nan 0.000 0.417 61 Q N 1.245 121.037 119.800 -0.013 0.000 2.464 61 Q HA 0.320 4.480 4.340 -0.301 0.000 0.256 61 Q C -1.691 174.361 176.000 0.087 0.000 1.020 61 Q CA -0.301 55.538 55.803 0.059 0.000 0.716 61 Q CB 1.074 29.893 28.738 0.136 0.000 1.230 61 Q HN 0.674 nan 8.270 nan 0.000 0.494 62 W N 3.360 124.765 121.300 0.175 0.000 2.293 62 W HA -0.035 4.445 4.660 -0.301 0.000 0.342 62 W C 1.370 177.972 176.519 0.138 0.000 1.274 62 W CA 0.141 57.594 57.345 0.180 0.000 1.290 62 W CB 0.420 29.976 29.460 0.159 0.000 1.176 62 W HN 0.676 nan 8.180 nan 0.000 0.570 63 I N -0.200 120.592 120.570 0.371 0.000 4.541 63 I HA 0.349 4.339 4.170 -0.301 0.000 0.337 63 I C 0.282 176.487 176.117 0.147 0.000 1.338 63 I CA -0.158 61.256 61.300 0.190 0.000 1.244 63 I CB -0.053 37.980 38.000 0.056 0.000 1.417 63 I HN 0.257 nan 8.210 nan 0.000 0.501 64 S N 0.253 116.074 115.700 0.202 0.000 2.724 64 S HA 0.229 4.519 4.470 -0.301 0.000 0.278 64 S C -0.052 174.667 174.600 0.197 0.000 1.190 64 S CA 0.081 58.367 58.200 0.145 0.000 0.860 64 S CB 0.814 64.032 63.200 0.030 0.000 1.206 64 S HN 0.277 nan 8.310 nan 0.000 0.507 65 D N 0.257 120.798 120.400 0.235 0.000 2.363 65 D HA -0.062 4.398 4.640 -0.301 0.000 0.220 65 D C 1.076 177.602 176.300 0.377 0.000 0.994 65 D CA 1.416 55.562 54.000 0.242 0.000 0.890 65 D CB -0.524 40.420 40.800 0.240 0.000 0.906 65 D HN 0.853 nan 8.370 nan 0.000 0.530 66 H N -1.705 117.492 119.070 0.211 0.000 3.650 66 H HA 0.382 4.758 4.556 -0.300 0.000 0.260 66 H C -0.405 175.021 175.328 0.163 0.000 1.194 66 H CA -0.392 55.731 56.048 0.125 0.000 1.135 66 H CB 0.065 29.873 29.762 0.077 0.000 1.612 66 H HN 0.020 nan 8.280 nan 0.000 0.703 67 E N 0.988 121.111 120.200 -0.128 0.000 2.263 67 E HA 0.506 4.676 4.350 -0.301 0.000 0.264 67 E C -1.353 175.351 176.600 0.174 0.000 0.923 67 E CA -1.203 55.130 56.400 -0.112 0.000 0.802 67 E CB 2.580 32.096 29.700 -0.306 0.000 1.228 67 E HN 0.298 nan 8.360 nan 0.000 0.417 68 Y N -1.316 118.958 120.300 -0.044 0.000 2.624 68 Y HA 0.541 4.910 4.550 -0.300 0.000 0.334 68 Y C -2.017 173.869 175.900 -0.022 0.000 1.155 68 Y CA -1.328 56.695 58.100 -0.129 0.000 1.046 68 Y CB 0.651 38.757 38.460 -0.591 0.000 1.316 68 Y HN 0.356 nan 8.280 nan 0.000 0.457 69 L N 3.011 124.392 121.223 0.264 0.000 2.334 69 L HA 0.573 4.733 4.340 -0.301 0.000 0.275 69 L C -1.239 175.949 176.870 0.529 0.000 1.036 69 L CA -1.052 53.946 54.840 0.263 0.000 0.807 69 L CB 1.618 43.770 42.059 0.155 0.000 1.231 69 L HN 0.777 nan 8.230 nan 0.000 0.438 70 Y N 1.983 122.496 120.300 0.354 0.000 2.504 70 Y HA 0.349 4.719 4.550 -0.301 0.000 0.344 70 Y C -0.945 175.099 175.900 0.239 0.000 1.023 70 Y CA -1.364 56.912 58.100 0.293 0.000 1.020 70 Y CB 1.764 40.450 38.460 0.375 0.000 1.282 70 Y HN 0.426 nan 8.280 nan 0.000 0.454 71 K N 5.232 125.402 120.400 -0.383 0.000 2.263 71 K HA 0.359 4.498 4.320 -0.301 0.000 0.272 71 K C -1.315 174.856 176.600 -0.715 0.000 1.033 71 K CA -0.499 55.603 56.287 -0.309 0.000 0.884 71 K CB 0.851 33.307 32.500 -0.072 0.000 1.107 71 K HN 0.856 nan 8.250 nan 0.000 0.460 72 Q N 3.926 123.510 119.800 -0.359 0.000 2.285 72 Q HA 0.125 4.284 4.340 -0.301 0.000 0.269 72 Q C -0.780 175.177 176.000 -0.070 0.000 1.030 72 Q CA -0.357 55.302 55.803 -0.240 0.000 0.788 72 Q CB 1.182 29.936 28.738 0.027 0.000 1.266 72 Q HN 0.693 nan 8.270 nan 0.000 0.438 73 E N 2.748 122.907 120.200 -0.068 0.000 3.547 73 E HA -0.349 3.820 4.350 -0.301 0.000 0.300 73 E C -0.277 176.311 176.600 -0.019 0.000 0.857 73 E CA 1.281 57.663 56.400 -0.030 0.000 1.039 73 E CB -1.375 28.327 29.700 0.003 0.000 1.524 73 E HN 1.038 nan 8.360 nan 0.000 0.457 74 N N -0.883 117.794 118.700 -0.038 0.000 3.002 74 N HA -0.157 4.402 4.740 -0.301 0.000 0.229 74 N C -0.556 175.060 175.510 0.177 0.000 0.927 74 N CA 1.105 54.148 53.050 -0.010 0.000 0.980 74 N CB -0.991 37.487 38.487 -0.014 0.000 1.077 74 N HN 0.352 nan 8.380 nan 0.000 0.572 75 N N 0.475 119.243 118.700 0.114 0.000 2.472 75 N HA 0.578 5.137 4.740 -0.301 0.000 0.289 75 N C -0.089 175.494 175.510 0.121 0.000 1.156 75 N CA -0.217 52.913 53.050 0.134 0.000 0.940 75 N CB 1.280 39.804 38.487 0.062 0.000 1.200 75 N HN 0.088 nan 8.380 nan 0.000 0.511 76 I N 1.769 122.409 120.570 0.118 0.000 2.371 76 I HA 0.243 4.233 4.170 -0.301 0.000 0.282 76 I C -0.623 175.583 176.117 0.149 0.000 1.031 76 I CA -0.443 60.925 61.300 0.113 0.000 1.180 76 I CB 0.353 38.383 38.000 0.051 0.000 1.336 76 I HN 0.237 nan 8.210 nan 0.000 0.467 77 L N 6.033 127.345 121.223 0.148 0.000 2.375 77 L HA 0.345 4.505 4.340 -0.301 0.000 0.271 77 L C -0.292 176.585 176.870 0.012 0.000 1.107 77 L CA -0.704 54.148 54.840 0.020 0.000 0.806 77 L CB 1.342 43.322 42.059 -0.132 0.000 1.146 77 L HN 0.438 nan 8.230 nan 0.000 0.447 78 L N 3.145 124.279 121.223 -0.149 0.000 2.313 78 L HA 0.458 4.618 4.340 -0.301 0.000 0.273 78 L C -0.815 175.867 176.870 -0.314 0.000 1.028 78 L CA 0.121 54.854 54.840 -0.178 0.000 0.871 78 L CB 0.105 42.087 42.059 -0.129 0.000 1.242 78 L HN 0.161 nan 8.230 nan 0.000 0.434 79 F N 3.003 122.677 119.950 -0.459 0.000 2.382 79 F HA 0.344 4.691 4.527 -0.301 0.000 0.331 79 F C 1.086 176.560 175.800 -0.544 0.000 1.121 79 F CA -0.038 57.618 58.000 -0.574 0.000 1.183 79 F CB 0.748 39.150 39.000 -0.998 0.000 1.207 79 F HN 0.551 nan 8.300 nan 0.000 0.555 80 N N 1.602 120.229 118.700 -0.122 0.000 2.518 80 N HA 0.287 4.847 4.740 -0.301 0.000 0.254 80 N C 0.315 175.778 175.510 -0.078 0.000 0.979 80 N CA -0.049 52.960 53.050 -0.068 0.000 0.930 80 N CB 1.631 40.165 38.487 0.078 0.000 1.152 80 N HN 0.731 nan 8.380 nan 0.000 0.505 81 A N 4.320 127.046 122.820 -0.157 0.000 1.884 81 A HA -0.224 3.915 4.320 -0.301 0.000 0.219 81 A C 1.736 179.095 177.584 -0.375 0.000 1.197 81 A CA 1.744 53.621 52.037 -0.266 0.000 0.637 81 A CB -0.586 18.096 19.000 -0.529 0.000 0.827 81 A HN 0.858 nan 8.150 nan 0.000 0.450 82 E N -1.630 118.259 120.200 -0.518 0.000 2.086 82 E HA -0.282 3.887 4.350 -0.301 0.000 0.205 82 E C 1.802 178.078 176.600 -0.539 0.000 1.027 82 E CA 2.228 58.334 56.400 -0.489 0.000 0.830 82 E CB -0.380 28.836 29.700 -0.807 0.000 0.751 82 E HN 0.887 nan 8.360 nan 0.000 0.456 83 Y N -2.437 117.884 120.300 0.036 0.000 2.539 83 Y HA 0.321 4.691 4.550 -0.301 0.000 0.284 83 Y C 1.895 177.812 175.900 0.028 0.000 1.134 83 Y CA 0.374 58.494 58.100 0.033 0.000 1.251 83 Y CB 0.629 39.108 38.460 0.030 0.000 1.260 83 Y HN 0.178 nan 8.280 nan 0.000 0.528 84 G N 0.214 109.108 108.800 0.157 0.000 2.211 84 G HA2 -0.251 3.529 3.960 -0.301 0.000 0.201 84 G HA3 -0.251 3.529 3.960 -0.301 0.000 0.201 84 G C -0.223 174.787 174.900 0.183 0.000 0.997 84 G CA -0.180 45.009 45.100 0.149 0.000 0.652 84 G HN 0.389 nan 8.290 nan 0.000 0.500 85 N N 1.380 120.166 118.700 0.143 0.000 2.492 85 N HA 0.452 5.012 4.740 -0.301 0.000 0.262 85 N C 0.241 175.711 175.510 -0.066 0.000 1.202 85 N CA 0.809 53.890 53.050 0.051 0.000 0.926 85 N CB 1.478 39.992 38.487 0.045 0.000 1.078 85 N HN 0.851 nan 8.380 nan 0.000 0.454 86 S N 0.379 115.943 115.700 -0.226 0.000 2.726 86 S HA 0.792 5.082 4.470 -0.301 0.000 0.308 86 S C -0.536 173.876 174.600 -0.314 0.000 1.115 86 S CA -0.760 57.120 58.200 -0.533 0.000 0.965 86 S CB 1.259 63.714 63.200 -1.242 0.000 1.145 86 S HN 0.957 nan 8.310 nan 0.000 0.532 87 S N 0.124 115.641 115.700 -0.305 0.000 2.584 87 S HA 0.435 4.724 4.470 -0.301 0.000 0.280 87 S C -0.637 173.905 174.600 -0.097 0.000 1.162 87 S CA -0.944 57.166 58.200 -0.149 0.000 0.951 87 S CB -0.137 63.015 63.200 -0.080 0.000 1.108 87 S HN 0.796 nan 8.310 nan 0.000 0.464 88 I N 3.229 123.759 120.570 -0.066 0.000 2.919 88 I HA -0.042 3.948 4.170 -0.301 0.000 0.303 88 I C 0.794 176.941 176.117 0.049 0.000 1.221 88 I CA 0.543 61.833 61.300 -0.017 0.000 1.444 88 I CB 0.204 38.183 38.000 -0.035 0.000 1.331 88 I HN 0.860 nan 8.210 nan 0.000 0.572 89 F N 6.819 126.722 119.950 -0.078 0.000 2.602 89 F HA 0.364 4.710 4.527 -0.301 0.000 0.284 89 F C 0.074 175.834 175.800 -0.067 0.000 1.111 89 F CA -0.100 57.861 58.000 -0.066 0.000 1.405 89 F CB 0.745 39.712 39.000 -0.056 0.000 1.121 89 F HN 0.306 nan 8.300 nan 0.000 0.603 90 L N 1.511 122.713 121.223 -0.035 0.000 2.639 90 L HA 0.333 4.493 4.340 -0.301 0.000 0.264 90 L C -1.359 175.439 176.870 -0.119 0.000 0.948 90 L CA -0.461 54.288 54.840 -0.152 0.000 0.912 90 L CB 1.406 43.365 42.059 -0.166 0.000 1.294 90 L HN -0.040 nan 8.230 nan 0.000 0.412 91 E N 2.666 122.777 120.200 -0.148 0.000 2.383 91 E HA 0.202 4.372 4.350 -0.301 0.000 0.264 91 E C 0.721 177.247 176.600 -0.123 0.000 1.050 91 E CA -0.168 56.170 56.400 -0.102 0.000 0.896 91 E CB 0.294 29.937 29.700 -0.095 0.000 0.982 91 E HN 0.546 nan 8.360 nan 0.000 0.424 92 N N 1.233 119.933 118.700 -0.001 0.000 2.635 92 N HA -0.125 4.435 4.740 -0.301 0.000 0.191 92 N C 0.188 175.699 175.510 0.001 0.000 1.155 92 N CA 0.495 53.610 53.050 0.107 0.000 0.927 92 N CB -0.115 38.443 38.487 0.118 0.000 0.976 92 N HN 0.217 nan 8.380 nan 0.000 0.448 93 S N -0.369 115.277 115.700 -0.091 0.000 2.436 93 S HA -0.024 4.265 4.470 -0.301 0.000 0.228 93 S C 1.657 176.145 174.600 -0.188 0.000 1.014 93 S CA 0.940 59.074 58.200 -0.110 0.000 0.950 93 S CB -0.146 62.993 63.200 -0.101 0.000 0.784 93 S HN 0.478 nan 8.310 nan 0.000 0.504 94 T N 2.016 116.376 114.554 -0.324 0.000 2.770 94 T HA 0.049 4.219 4.350 -0.301 0.000 0.263 94 T C 1.336 175.703 174.700 -0.556 0.000 1.039 94 T CA 0.958 62.758 62.100 -0.501 0.000 1.142 94 T CB -0.431 67.990 68.868 -0.747 0.000 0.868 94 T HN 0.316 nan 8.240 nan 0.000 0.435 95 F N 2.258 122.015 119.950 -0.321 0.000 2.161 95 F HA -0.074 4.273 4.527 -0.300 0.000 0.300 95 F C 2.226 177.838 175.800 -0.313 0.000 1.089 95 F CA 0.637 58.426 58.000 -0.351 0.000 1.282 95 F CB -0.750 38.125 39.000 -0.209 0.000 1.010 95 F HN 0.124 nan 8.300 nan 0.000 0.485 96 D N -0.014 120.347 120.400 -0.066 0.000 2.178 96 D HA -0.130 4.329 4.640 -0.301 0.000 0.202 96 D C 1.973 178.176 176.300 -0.162 0.000 0.974 96 D CA 1.097 55.040 54.000 -0.094 0.000 0.841 96 D CB -0.359 40.400 40.800 -0.068 0.000 0.953 96 D HN 0.406 nan 8.370 nan 0.000 0.478 97 E N -0.090 119.985 120.200 -0.209 0.000 2.285 97 E HA 0.037 4.207 4.350 -0.301 0.000 0.194 97 E C 2.058 178.475 176.600 -0.304 0.000 0.997 97 E CA 0.020 56.290 56.400 -0.218 0.000 0.845 97 E CB 0.156 29.741 29.700 -0.190 0.000 0.782 97 E HN 0.263 nan 8.360 nan 0.000 0.491 98 L N -0.535 120.411 121.223 -0.461 0.000 2.291 98 L HA 0.022 4.181 4.340 -0.301 0.000 0.214 98 L C 1.895 178.323 176.870 -0.738 0.000 1.120 98 L CA 0.751 55.145 54.840 -0.743 0.000 0.799 98 L CB -0.403 40.931 42.059 -1.208 0.000 0.925 98 L HN 0.346 nan 8.230 nan 0.000 0.446 99 G N -0.340 108.182 108.800 -0.462 0.000 2.328 99 G HA2 -0.351 3.429 3.960 -0.301 0.000 0.256 99 G HA3 -0.351 3.429 3.960 -0.301 0.000 0.256 99 G C 0.231 175.008 174.900 -0.204 0.000 1.014 99 G CA 0.664 45.595 45.100 -0.282 0.000 0.620 99 G HN 0.442 nan 8.290 nan 0.000 0.530 100 Y N 0.873 121.063 120.300 -0.183 0.000 2.457 100 Y HA 0.815 5.185 4.550 -0.300 0.000 0.333 100 Y C 0.299 176.133 175.900 -0.109 0.000 1.119 100 Y CA -2.005 55.994 58.100 -0.169 0.000 1.143 100 Y CB 0.848 39.099 38.460 -0.349 0.000 1.230 100 Y HN 0.081 nan 8.280 nan 0.000 0.469 101 S N 1.879 117.703 115.700 0.207 0.000 2.443 101 S HA 0.135 4.424 4.470 -0.301 0.000 0.284 101 S C -0.185 174.510 174.600 0.159 0.000 1.206 101 S CA -0.471 57.798 58.200 0.116 0.000 1.074 101 S CB -0.434 62.800 63.200 0.057 0.000 0.963 101 S HN 0.671 nan 8.310 nan 0.000 0.501 102 T N 4.015 118.645 114.554 0.127 0.000 2.752 102 T HA 0.089 4.259 4.350 -0.301 0.000 0.295 102 T C 1.349 176.059 174.700 0.016 0.000 0.923 102 T CA -0.349 61.837 62.100 0.145 0.000 1.112 102 T CB 0.182 69.118 68.868 0.114 0.000 0.884 102 T HN 0.599 nan 8.240 nan 0.000 0.525 103 N N 2.476 121.184 118.700 0.014 0.000 2.325 103 N HA 0.016 4.576 4.740 -0.301 0.000 0.182 103 N C -0.277 175.174 175.510 -0.097 0.000 1.088 103 N CA 0.275 53.268 53.050 -0.094 0.000 0.879 103 N CB 0.494 38.875 38.487 -0.177 0.000 0.983 103 N HN 0.722 nan 8.380 nan 0.000 0.471 104 D N -1.293 119.115 120.400 0.014 0.000 2.912 104 D HA 0.162 4.621 4.640 -0.301 0.000 0.263 104 D C -1.713 174.680 176.300 0.155 0.000 1.152 104 D CA -0.508 53.484 54.000 -0.013 0.000 0.728 104 D CB 0.170 40.915 40.800 -0.091 0.000 1.337 104 D HN 0.070 nan 8.370 nan 0.000 0.435 105 Y N -0.654 119.727 120.300 0.135 0.000 2.655 105 Y HA 0.848 5.218 4.550 -0.300 0.000 0.336 105 Y C -1.305 174.676 175.900 0.134 0.000 1.154 105 Y CA -1.028 57.142 58.100 0.116 0.000 1.055 105 Y CB 1.741 40.276 38.460 0.124 0.000 1.295 105 Y HN 0.300 nan 8.280 nan 0.000 0.465 106 S N 1.224 117.150 115.700 0.376 0.000 2.626 106 S HA 0.630 4.919 4.470 -0.301 0.000 0.275 106 S C -2.050 172.920 174.600 0.616 0.000 1.175 106 S CA -0.587 57.866 58.200 0.422 0.000 0.982 106 S CB 0.841 64.248 63.200 0.345 0.000 1.093 106 S HN 0.770 nan 8.310 nan 0.000 0.472 107 V N 4.805 124.975 119.914 0.425 0.000 2.481 107 V HA 0.501 4.440 4.120 -0.301 0.000 0.286 107 V C 0.659 176.586 176.094 -0.278 0.000 1.042 107 V CA -0.681 61.735 62.300 0.193 0.000 0.928 107 V CB 1.616 33.541 31.823 0.170 0.000 0.986 107 V HN 1.021 nan 8.190 nan 0.000 0.462 108 S N 6.210 121.344 115.700 -0.943 0.000 2.558 108 S HA 0.095 4.385 4.470 -0.301 0.000 0.288 108 S C -1.300 172.966 174.600 -0.557 0.000 1.318 108 S CA -0.641 56.636 58.200 -1.538 0.000 1.056 108 S CB 0.393 62.676 63.200 -1.528 0.000 0.853 108 S HN 0.715 nan 8.310 nan 0.000 0.505 109 P HA -0.156 nan 4.420 nan 0.000 0.221 109 P C 0.637 177.854 177.300 -0.140 0.000 1.145 109 P CA 1.470 64.476 63.100 -0.157 0.000 0.795 109 P CB -0.201 31.448 31.700 -0.084 0.000 0.775 110 D N -0.953 119.335 120.400 -0.186 0.000 2.349 110 D HA -0.079 4.381 4.640 -0.301 0.000 0.224 110 D C 0.628 176.853 176.300 -0.125 0.000 1.029 110 D CA -0.134 53.775 54.000 -0.152 0.000 0.879 110 D CB -0.713 39.961 40.800 -0.210 0.000 0.906 110 D HN 0.007 nan 8.370 nan 0.000 0.528 111 R N -0.974 119.451 120.500 -0.125 0.000 3.651 111 R HA -0.216 3.944 4.340 -0.301 0.000 0.292 111 R C 0.753 177.022 176.300 -0.052 0.000 1.161 111 R CA 1.077 57.171 56.100 -0.010 0.000 0.787 111 R CB -2.334 28.011 30.300 0.074 0.000 1.249 111 R HN 0.384 nan 8.270 nan 0.000 0.476 112 Q N -1.129 118.545 119.800 -0.209 0.000 2.392 112 Q HA 0.198 4.358 4.340 -0.301 0.000 0.219 112 Q C -0.190 175.379 176.000 -0.718 0.000 0.895 112 Q CA 0.665 56.188 55.803 -0.466 0.000 0.929 112 Q CB 0.548 28.942 28.738 -0.573 0.000 1.077 112 Q HN 0.155 nan 8.270 nan 0.000 0.532 113 F N -0.312 119.610 119.950 -0.046 0.000 2.620 113 F HA 0.547 4.894 4.527 -0.300 0.000 0.320 113 F C -0.527 175.340 175.800 0.112 0.000 1.069 113 F CA -1.275 56.758 58.000 0.054 0.000 0.953 113 F CB 1.704 40.790 39.000 0.143 0.000 1.322 113 F HN -0.216 nan 8.300 nan 0.000 0.479 114 I N 2.062 122.928 120.570 0.493 0.000 2.619 114 I HA 0.542 4.531 4.170 -0.301 0.000 0.292 114 I C -2.007 174.262 176.117 0.253 0.000 1.100 114 I CA -1.048 60.447 61.300 0.325 0.000 1.043 114 I CB 1.804 39.848 38.000 0.075 0.000 1.239 114 I HN 0.499 nan 8.210 nan 0.000 0.420 115 L N 7.675 129.055 121.223 0.262 0.000 2.275 115 L HA 0.530 4.690 4.340 -0.301 0.000 0.288 115 L C -1.460 175.399 176.870 -0.018 0.000 1.046 115 L CA 0.212 55.147 54.840 0.159 0.000 0.805 115 L CB 0.921 43.065 42.059 0.142 0.000 1.193 115 L HN 0.402 nan 8.230 nan 0.000 0.426 116 F N 3.609 123.784 119.950 0.376 0.000 2.411 116 F HA 0.404 4.750 4.527 -0.301 0.000 0.352 116 F C 0.393 176.288 175.800 0.158 0.000 1.123 116 F CA -0.544 57.657 58.000 0.334 0.000 1.044 116 F CB 1.417 40.662 39.000 0.409 0.000 1.135 116 F HN 0.457 nan 8.300 nan 0.000 0.461 117 E N 4.672 124.993 120.200 0.202 0.000 2.175 117 E HA 0.440 4.610 4.350 -0.301 0.000 0.278 117 E C -1.621 174.920 176.600 -0.098 0.000 0.969 117 E CA -0.552 55.706 56.400 -0.237 0.000 0.796 117 E CB 1.219 30.774 29.700 -0.242 0.000 1.104 117 E HN 0.575 nan 8.360 nan 0.000 0.395 118 Y N 1.402 121.422 120.300 -0.467 0.000 2.689 118 Y HA 0.400 4.770 4.550 -0.300 0.000 0.333 118 Y C -0.415 175.335 175.900 -0.251 0.000 1.208 118 Y CA -1.583 56.304 58.100 -0.354 0.000 1.055 118 Y CB 0.549 38.653 38.460 -0.593 0.000 1.304 118 Y HN 0.575 nan 8.280 nan 0.000 0.455 119 N N -0.279 118.370 118.700 -0.085 0.000 2.754 119 N HA -0.290 4.270 4.740 -0.301 0.000 0.248 119 N C -0.905 174.542 175.510 -0.104 0.000 1.093 119 N CA 1.004 53.991 53.050 -0.105 0.000 0.699 119 N CB -1.605 36.743 38.487 -0.231 0.000 1.016 119 N HN 0.909 nan 8.380 nan 0.000 0.552 120 Y N 0.521 120.707 120.300 -0.191 0.000 2.729 120 Y HA 0.231 4.601 4.550 -0.300 0.000 0.331 120 Y C 0.012 175.845 175.900 -0.112 0.000 1.208 120 Y CA 0.063 58.046 58.100 -0.194 0.000 1.521 120 Y CB 0.618 38.913 38.460 -0.275 0.000 1.233 120 Y HN -0.003 nan 8.280 nan 0.000 0.539 121 V N 8.407 127.955 119.914 -0.611 0.000 2.325 121 V HA 0.167 4.107 4.120 -0.301 0.000 0.280 121 V C -0.101 175.604 176.094 -0.649 0.000 1.016 121 V CA -1.363 60.640 62.300 -0.496 0.000 0.818 121 V CB 0.992 32.672 31.823 -0.238 0.000 1.019 121 V HN 0.771 nan 8.190 nan 0.000 0.434 122 K N 3.876 123.858 120.400 -0.696 0.000 2.485 122 K HA 0.072 4.212 4.320 -0.301 0.000 0.277 122 K C 0.409 176.855 176.600 -0.257 0.000 0.990 122 K CA 0.484 56.545 56.287 -0.376 0.000 0.994 122 K CB 1.062 33.539 32.500 -0.038 0.000 0.906 122 K HN 0.810 nan 8.250 nan 0.000 0.488 123 Q N 3.140 122.783 119.800 -0.261 0.000 2.729 123 Q HA 0.178 4.337 4.340 -0.301 0.000 0.228 123 Q C 0.149 175.988 176.000 -0.268 0.000 1.021 123 Q CA -0.404 55.076 55.803 -0.539 0.000 0.561 123 Q CB 0.088 28.313 28.738 -0.854 0.000 3.921 123 Q HN 0.755 nan 8.270 nan 0.000 0.430 124 W N 0.219 121.477 121.300 -0.069 0.000 1.677 124 W HA 0.357 4.834 4.660 -0.304 0.000 0.641 124 W C 1.953 178.413 176.519 -0.097 0.000 1.432 124 W CA -0.735 56.587 57.345 -0.038 0.000 1.360 124 W CB -0.161 29.210 29.460 -0.149 0.000 3.422 124 W HN 0.273 nan 8.180 nan 0.000 0.773 125 R N -0.620 119.915 120.500 0.059 0.000 2.115 125 R HA -0.107 4.053 4.340 -0.301 0.000 0.226 125 R C 1.526 177.556 176.300 -0.449 0.000 1.100 125 R CA 1.432 57.386 56.100 -0.244 0.000 0.980 125 R CB -0.227 29.805 30.300 -0.447 0.000 0.875 125 R HN 0.481 nan 8.270 nan 0.000 0.445 126 H N -1.833 117.290 119.070 0.088 0.000 3.400 126 H HA 0.156 4.533 4.556 -0.299 0.000 0.251 126 H C 0.412 175.803 175.328 0.104 0.000 1.040 126 H CA 0.302 56.432 56.048 0.138 0.000 1.175 126 H CB 0.463 30.294 29.762 0.114 0.000 1.487 126 H HN 0.089 nan 8.280 nan 0.000 0.505 127 S N 1.372 117.009 115.700 -0.104 0.000 2.601 127 S HA 0.446 4.736 4.470 -0.301 0.000 0.271 127 S C -0.347 174.094 174.600 -0.264 0.000 1.305 127 S CA -0.472 57.373 58.200 -0.592 0.000 1.022 127 S CB 0.991 63.218 63.200 -1.621 0.000 0.940 127 S HN 0.404 nan 8.310 nan 0.000 0.525 128 Y N -2.322 117.854 120.300 -0.207 0.000 2.702 128 Y HA 0.661 5.029 4.550 -0.302 0.000 0.336 128 Y C -0.713 175.151 175.900 -0.059 0.000 1.203 128 Y CA -0.904 57.052 58.100 -0.240 0.000 1.072 128 Y CB 0.449 38.707 38.460 -0.337 0.000 1.327 128 Y HN 0.893 nan 8.280 nan 0.000 0.456 129 T N -0.114 114.495 114.554 0.093 0.000 2.950 129 T HA 1.023 5.193 4.350 -0.301 0.000 0.288 129 T C -0.449 174.357 174.700 0.176 0.000 1.035 129 T CA -0.146 62.035 62.100 0.136 0.000 1.028 129 T CB 1.736 70.622 68.868 0.030 0.000 1.109 129 T HN 1.959 nan 8.240 nan 0.000 0.514 130 A N 0.779 123.707 122.820 0.179 0.000 2.566 130 A HA 0.712 4.851 4.320 -0.301 0.000 0.290 130 A C -0.556 176.913 177.584 -0.192 0.000 1.071 130 A CA -0.976 51.022 52.037 -0.065 0.000 0.658 130 A CB 0.968 19.881 19.000 -0.146 0.000 1.285 130 A HN 0.867 nan 8.150 nan 0.000 0.427 131 S N -0.429 114.873 115.700 -0.662 0.000 2.617 131 S HA 0.819 5.109 4.470 -0.301 0.000 0.283 131 S C -1.413 172.619 174.600 -0.946 0.000 1.189 131 S CA -0.039 57.697 58.200 -0.773 0.000 1.036 131 S CB 0.559 62.977 63.200 -1.303 0.000 1.014 131 S HN 0.460 nan 8.310 nan 0.000 0.522 132 Y N 0.047 120.145 120.300 -0.337 0.000 2.534 132 Y HA 0.488 4.857 4.550 -0.301 0.000 0.345 132 Y C -0.530 175.445 175.900 0.125 0.000 1.031 132 Y CA -1.082 56.982 58.100 -0.059 0.000 1.022 132 Y CB 1.682 40.041 38.460 -0.169 0.000 1.292 132 Y HN 0.472 nan 8.280 nan 0.000 0.459 133 D N 2.017 122.669 120.400 0.420 0.000 2.619 133 D HA 0.541 5.001 4.640 -0.301 0.000 0.241 133 D C -0.836 175.702 176.300 0.397 0.000 1.087 133 D CA -0.315 53.919 54.000 0.390 0.000 0.851 133 D CB 2.585 43.682 40.800 0.496 0.000 1.474 133 D HN 0.389 nan 8.370 nan 0.000 0.478 134 I N 1.614 122.360 120.570 0.293 0.000 2.392 134 I HA 0.272 4.261 4.170 -0.301 0.000 0.295 134 I C -0.894 175.494 176.117 0.452 0.000 0.985 134 I CA -0.946 60.533 61.300 0.299 0.000 1.221 134 I CB 1.332 39.383 38.000 0.086 0.000 1.366 134 I HN 0.241 nan 8.210 nan 0.000 0.467 135 Y N 5.323 125.867 120.300 0.406 0.000 2.326 135 Y HA 0.250 4.620 4.550 -0.301 0.000 0.331 135 Y C -0.208 175.942 175.900 0.416 0.000 0.962 135 Y CA -0.887 57.455 58.100 0.404 0.000 1.167 135 Y CB 1.074 39.865 38.460 0.551 0.000 1.148 135 Y HN 0.493 nan 8.280 nan 0.000 0.463 136 D N 6.994 127.348 120.400 -0.076 0.000 2.342 136 D HA 0.033 4.493 4.640 -0.301 0.000 0.260 136 D C 1.006 177.037 176.300 -0.449 0.000 1.278 136 D CA 0.516 54.472 54.000 -0.073 0.000 0.910 136 D CB 0.751 41.548 40.800 -0.005 0.000 1.079 136 D HN 0.881 nan 8.370 nan 0.000 0.496 137 L N 4.005 125.054 121.223 -0.290 0.000 1.956 137 L HA -0.289 3.870 4.340 -0.301 0.000 0.216 137 L C 2.257 178.973 176.870 -0.257 0.000 1.073 137 L CA 0.990 55.700 54.840 -0.218 0.000 0.762 137 L CB -0.662 41.259 42.059 -0.230 0.000 0.889 137 L HN 0.443 nan 8.230 nan 0.000 0.433 138 N N 1.522 120.056 118.700 -0.276 0.000 2.053 138 N HA -0.276 4.284 4.740 -0.301 0.000 0.200 138 N C 1.410 176.815 175.510 -0.175 0.000 1.041 138 N CA 2.342 55.265 53.050 -0.211 0.000 0.882 138 N CB -0.781 37.581 38.487 -0.209 0.000 1.080 138 N HN 0.510 nan 8.380 nan 0.000 0.481 139 K N 1.633 121.928 120.400 -0.176 0.000 2.591 139 K HA 0.173 4.313 4.320 -0.301 0.000 0.197 139 K C -0.021 176.476 176.600 -0.172 0.000 1.026 139 K CA -0.073 56.130 56.287 -0.140 0.000 1.127 139 K CB -0.048 32.389 32.500 -0.105 0.000 0.871 139 K HN 0.056 nan 8.250 nan 0.000 0.507 140 R N 1.405 121.770 120.500 -0.224 0.000 3.238 140 R HA -0.224 3.936 4.340 -0.301 0.000 0.235 140 R C -0.671 175.499 176.300 -0.216 0.000 0.921 140 R CA 1.012 56.989 56.100 -0.204 0.000 0.625 140 R CB -1.320 28.968 30.300 -0.018 0.000 1.028 140 R HN 0.641 nan 8.270 nan 0.000 0.478 141 Q N -0.337 119.225 119.800 -0.398 0.000 2.378 141 Q HA 0.584 4.744 4.340 -0.301 0.000 0.276 141 Q C -0.524 175.294 176.000 -0.303 0.000 1.083 141 Q CA -1.005 54.673 55.803 -0.208 0.000 0.856 141 Q CB 2.020 30.692 28.738 -0.109 0.000 1.383 141 Q HN 0.155 nan 8.270 nan 0.000 0.458 142 L N 2.318 123.541 121.223 -0.001 0.000 2.298 142 L HA 0.385 4.545 4.340 -0.301 0.000 0.284 142 L C -1.027 175.899 176.870 0.094 0.000 1.013 142 L CA -0.985 53.945 54.840 0.150 0.000 0.824 142 L CB 0.975 43.184 42.059 0.251 0.000 1.221 142 L HN 0.591 nan 8.230 nan 0.000 0.418 143 I N 3.642 124.271 120.570 0.098 0.000 2.775 143 I HA -0.068 3.922 4.170 -0.301 0.000 0.290 143 I C 1.486 177.639 176.117 0.059 0.000 1.203 143 I CA 0.897 62.231 61.300 0.057 0.000 1.433 143 I CB 1.063 39.080 38.000 0.028 0.000 1.354 143 I HN 0.684 nan 8.210 nan 0.000 0.579 144 T N 0.850 115.422 114.554 0.031 0.000 3.009 144 T HA 0.274 4.443 4.350 -0.301 0.000 0.267 144 T C 0.510 175.212 174.700 0.003 0.000 0.942 144 T CA -0.337 61.779 62.100 0.027 0.000 0.883 144 T CB 0.103 68.987 68.868 0.027 0.000 1.192 144 T HN 0.437 nan 8.240 nan 0.000 0.524 145 E N 2.237 122.433 120.200 -0.006 0.000 2.266 145 E HA 0.249 4.418 4.350 -0.301 0.000 0.277 145 E C -0.295 176.284 176.600 -0.036 0.000 1.018 145 E CA -0.266 56.123 56.400 -0.018 0.000 0.840 145 E CB 0.761 30.453 29.700 -0.013 0.000 1.082 145 E HN 0.276 nan 8.360 nan 0.000 0.395 146 E N 1.382 121.554 120.200 -0.046 0.000 2.252 146 E HA -0.236 3.934 4.350 -0.301 0.000 0.218 146 E C -0.274 176.269 176.600 -0.095 0.000 1.253 146 E CA 0.728 57.088 56.400 -0.066 0.000 0.705 146 E CB -1.221 28.447 29.700 -0.053 0.000 1.172 146 E HN 0.469 nan 8.360 nan 0.000 0.369 147 R N -0.297 120.143 120.500 -0.100 0.000 2.822 147 R HA 0.389 4.549 4.340 -0.301 0.000 0.277 147 R C 1.192 177.358 176.300 -0.224 0.000 1.102 147 R CA -0.337 55.693 56.100 -0.116 0.000 1.207 147 R CB 0.491 30.747 30.300 -0.072 0.000 1.139 147 R HN 0.135 nan 8.270 nan 0.000 0.557 148 I N 2.387 122.797 120.570 -0.267 0.000 2.396 148 I HA 0.177 4.167 4.170 -0.301 0.000 0.292 148 I C -1.857 173.972 176.117 -0.479 0.000 0.999 148 I CA -2.334 58.667 61.300 -0.497 0.000 1.310 148 I CB 1.485 39.164 38.000 -0.535 0.000 1.404 148 I HN 0.260 nan 8.210 nan 0.000 0.496 149 P HA 0.038 nan 4.420 nan 0.000 0.265 149 P C -1.008 176.081 177.300 -0.350 0.000 1.187 149 P CA -0.117 62.557 63.100 -0.710 0.000 0.766 149 P CB 0.243 30.993 31.700 -1.584 0.000 0.820 150 N N 2.329 120.927 118.700 -0.169 0.000 2.340 150 N HA 0.038 4.598 4.740 -0.301 0.000 0.236 150 N C 0.506 176.086 175.510 0.116 0.000 1.296 150 N CA 0.188 53.209 53.050 -0.049 0.000 0.896 150 N CB -0.288 38.191 38.487 -0.013 0.000 1.127 150 N HN 0.369 nan 8.380 nan 0.000 0.442 151 N N -2.107 116.652 118.700 0.099 0.000 2.741 151 N HA -0.189 4.370 4.740 -0.301 0.000 0.251 151 N C -0.864 174.826 175.510 0.300 0.000 1.112 151 N CA 0.782 53.936 53.050 0.174 0.000 0.750 151 N CB -1.922 36.680 38.487 0.191 0.000 1.119 151 N HN 0.499 nan 8.380 nan 0.000 0.561 152 T N 0.828 115.540 114.554 0.264 0.000 2.940 152 T HA 0.055 4.225 4.350 -0.301 0.000 0.309 152 T C 1.679 176.526 174.700 0.244 0.000 1.056 152 T CA 0.327 62.581 62.100 0.257 0.000 1.137 152 T CB 0.865 69.692 68.868 -0.069 0.000 0.976 152 T HN 0.189 nan 8.240 nan 0.000 0.547 153 Q N 1.286 121.227 119.800 0.236 0.000 2.396 153 Q HA 0.198 4.358 4.340 -0.301 0.000 0.209 153 Q C -0.053 176.113 176.000 0.276 0.000 0.906 153 Q CA 0.096 56.052 55.803 0.255 0.000 0.927 153 Q CB 0.857 29.739 28.738 0.240 0.000 1.069 153 Q HN 0.690 nan 8.270 nan 0.000 0.523 154 W N -0.091 121.179 121.300 -0.050 0.000 3.736 154 W HA 0.415 4.894 4.660 -0.301 0.000 0.276 154 W C -2.527 173.916 176.519 -0.125 0.000 1.268 154 W CA -0.669 56.601 57.345 -0.125 0.000 1.216 154 W CB 0.567 29.889 29.460 -0.229 0.000 1.284 154 W HN -0.095 nan 8.180 nan 0.000 0.562 155 I N 4.299 124.086 120.570 -1.304 0.000 2.842 155 I HA 0.618 4.607 4.170 -0.301 0.000 0.297 155 I C -1.769 173.822 176.117 -0.878 0.000 1.380 155 I CA -0.038 60.766 61.300 -0.826 0.000 1.018 155 I CB 2.567 40.081 38.000 -0.811 0.000 1.311 155 I HN 0.359 nan 8.210 nan 0.000 0.439 156 T N 5.123 119.458 114.554 -0.366 0.000 3.041 156 T HA 0.423 4.593 4.350 -0.301 0.000 0.321 156 T C -1.563 173.166 174.700 0.048 0.000 1.184 156 T CA -0.234 61.797 62.100 -0.115 0.000 1.050 156 T CB 0.691 69.714 68.868 0.259 0.000 1.159 156 T HN 0.534 nan 8.240 nan 0.000 0.469 157 W N 3.164 124.498 121.300 0.055 0.000 2.112 157 W HA 0.400 4.880 4.660 -0.300 0.000 0.349 157 W C 1.280 177.645 176.519 -0.257 0.000 1.289 157 W CA -0.602 56.720 57.345 -0.039 0.000 1.256 157 W CB 0.552 30.006 29.460 -0.010 0.000 1.148 157 W HN 0.749 nan 8.180 nan 0.000 0.590 158 S N 1.629 117.140 115.700 -0.314 0.000 2.596 158 S HA 0.101 4.391 4.470 -0.301 0.000 0.260 158 S C -1.834 172.555 174.600 -0.351 0.000 1.336 158 S CA -0.965 56.594 58.200 -1.068 0.000 0.993 158 S CB 0.451 62.956 63.200 -1.158 0.000 0.923 158 S HN 0.291 nan 8.310 nan 0.000 0.567 159 P HA 0.053 nan 4.420 nan 0.000 0.221 159 P C 0.305 177.571 177.300 -0.057 0.000 1.150 159 P CA 0.655 63.730 63.100 -0.042 0.000 0.800 159 P CB -0.163 31.548 31.700 0.018 0.000 0.787 160 V N -6.352 113.490 119.914 -0.121 0.000 3.040 160 V HA 0.896 4.836 4.120 -0.301 0.000 0.312 160 V C 0.418 176.432 176.094 -0.132 0.000 1.115 160 V CA -0.347 61.893 62.300 -0.100 0.000 0.998 160 V CB 0.961 32.740 31.823 -0.074 0.000 1.042 160 V HN 0.426 nan 8.190 nan 0.000 0.433 161 G N 2.236 110.957 108.800 -0.133 0.000 2.539 161 G HA2 -0.204 3.576 3.960 -0.301 0.000 0.256 161 G HA3 -0.204 3.576 3.960 -0.301 0.000 0.256 161 G C 0.093 174.933 174.900 -0.100 0.000 1.233 161 G CA 0.789 45.788 45.100 -0.168 0.000 0.936 161 G HN 2.605 nan 8.290 nan 0.000 0.571 162 H N -1.231 117.832 119.070 -0.012 0.000 2.924 162 H HA 0.581 4.957 4.556 -0.301 0.000 0.229 162 H C 0.259 175.753 175.328 0.276 0.000 1.345 162 H CA -0.533 55.561 56.048 0.077 0.000 1.044 162 H CB 0.094 29.968 29.762 0.186 0.000 2.221 162 H HN 0.435 nan 8.280 nan 0.000 0.574 163 K N 1.561 122.141 120.400 0.299 0.000 2.090 163 K HA 0.550 4.689 4.320 -0.301 0.000 0.250 163 K C -0.671 176.053 176.600 0.207 0.000 1.004 163 K CA -0.663 55.720 56.287 0.160 0.000 0.919 163 K CB 1.967 34.413 32.500 -0.092 0.000 1.045 163 K HN 0.185 nan 8.250 nan 0.000 0.471 164 L N 0.548 121.888 121.223 0.194 0.000 2.409 164 L HA 0.630 4.790 4.340 -0.301 0.000 0.262 164 L C -1.249 175.831 176.870 0.350 0.000 0.992 164 L CA -0.855 54.069 54.840 0.140 0.000 0.817 164 L CB 2.267 44.244 42.059 -0.136 0.000 1.350 164 L HN 0.737 nan 8.230 nan 0.000 0.411 165 A N 1.930 124.958 122.820 0.347 0.000 2.422 165 A HA 0.863 5.003 4.320 -0.301 0.000 0.302 165 A C -1.795 175.828 177.584 0.065 0.000 1.041 165 A CA -0.385 51.750 52.037 0.162 0.000 0.708 165 A CB 1.497 20.540 19.000 0.071 0.000 1.257 165 A HN 0.661 nan 8.150 nan 0.000 0.414 166 Y N -1.001 119.267 120.300 -0.053 0.000 2.638 166 Y HA 0.742 5.112 4.550 -0.301 0.000 0.335 166 Y C -1.378 174.535 175.900 0.021 0.000 1.155 166 Y CA -1.570 56.466 58.100 -0.107 0.000 1.046 166 Y CB 1.022 39.320 38.460 -0.269 0.000 1.303 166 Y HN 0.431 nan 8.280 nan 0.000 0.460 167 V N 2.125 122.163 119.914 0.207 0.000 2.384 167 V HA 0.301 4.241 4.120 -0.301 0.000 0.287 167 V C -1.449 174.857 176.094 0.353 0.000 1.020 167 V CA -0.505 61.901 62.300 0.177 0.000 0.850 167 V CB 1.174 33.036 31.823 0.066 0.000 0.987 167 V HN 0.832 nan 8.190 nan 0.000 0.436 168 W N 5.324 126.713 121.300 0.148 0.000 2.715 168 W HA 0.476 4.957 4.660 -0.299 0.000 0.331 168 W C 0.412 176.972 176.519 0.068 0.000 1.031 168 W CA -0.891 56.501 57.345 0.078 0.000 1.237 168 W CB 1.026 30.465 29.460 -0.035 0.000 1.378 168 W HN 0.798 nan 8.180 nan 0.000 0.454 169 N N 5.657 124.067 118.700 -0.484 0.000 2.727 169 N HA -0.332 4.228 4.740 -0.301 0.000 0.251 169 N C 0.100 175.468 175.510 -0.237 0.000 1.040 169 N CA 0.983 53.739 53.050 -0.490 0.000 0.712 169 N CB -1.113 36.912 38.487 -0.770 0.000 0.912 169 N HN 0.900 nan 8.380 nan 0.000 0.545 170 N N -1.354 117.263 118.700 -0.137 0.000 2.713 170 N HA -0.192 4.368 4.740 -0.301 0.000 0.251 170 N C -1.331 174.114 175.510 -0.109 0.000 1.117 170 N CA 1.140 54.126 53.050 -0.107 0.000 0.770 170 N CB -0.296 38.062 38.487 -0.214 0.000 1.137 170 N HN 0.463 nan 8.380 nan 0.000 0.566 171 D N 0.345 120.694 120.400 -0.086 0.000 2.481 171 D HA 0.433 4.893 4.640 -0.301 0.000 0.244 171 D C 0.057 176.237 176.300 -0.199 0.000 1.057 171 D CA -0.431 53.443 54.000 -0.210 0.000 0.848 171 D CB 1.693 42.313 40.800 -0.301 0.000 1.388 171 D HN 0.009 nan 8.370 nan 0.000 0.475 172 I N 1.797 122.079 120.570 -0.479 0.000 2.428 172 I HA 0.190 4.180 4.170 -0.301 0.000 0.289 172 I C -0.704 174.971 176.117 -0.736 0.000 1.019 172 I CA -0.328 60.673 61.300 -0.497 0.000 1.351 172 I CB 0.496 38.112 38.000 -0.639 0.000 1.412 172 I HN 0.158 nan 8.210 nan 0.000 0.513 173 Y N 4.270 124.166 120.300 -0.673 0.000 2.462 173 Y HA 0.575 4.944 4.550 -0.301 0.000 0.346 173 Y C -0.243 175.307 175.900 -0.584 0.000 0.976 173 Y CA -0.917 56.758 58.100 -0.708 0.000 1.044 173 Y CB 1.864 39.699 38.460 -1.042 0.000 1.230 173 Y HN 0.120 nan 8.280 nan 0.000 0.455 174 V N 3.046 122.845 119.914 -0.192 0.000 2.581 174 V HA 0.528 4.467 4.120 -0.301 0.000 0.303 174 V C -0.716 175.405 176.094 0.045 0.000 1.041 174 V CA -1.216 61.062 62.300 -0.037 0.000 0.907 174 V CB 1.973 33.801 31.823 0.007 0.000 0.994 174 V HN 0.664 nan 8.190 nan 0.000 0.442 175 K N 3.102 123.573 120.400 0.118 0.000 2.656 175 K HA 0.416 4.555 4.320 -0.301 0.000 0.241 175 K C 0.488 177.143 176.600 0.091 0.000 0.967 175 K CA -0.299 56.044 56.287 0.094 0.000 0.946 175 K CB 0.842 33.403 32.500 0.101 0.000 1.164 175 K HN 0.715 nan 8.250 nan 0.000 0.459 176 N N 1.546 120.296 118.700 0.084 0.000 2.142 176 N HA -0.085 4.474 4.740 -0.301 0.000 0.186 176 N C -0.404 175.117 175.510 0.019 0.000 1.023 176 N CA 0.830 53.934 53.050 0.090 0.000 0.852 176 N CB 0.301 38.845 38.487 0.096 0.000 0.998 176 N HN 0.483 nan 8.380 nan 0.000 0.424 177 E N -0.397 119.774 120.200 -0.048 0.000 2.222 177 E HA 0.194 4.364 4.350 -0.301 0.000 0.267 177 E C -1.950 174.510 176.600 -0.233 0.000 0.884 177 E CA -1.983 54.309 56.400 -0.179 0.000 0.764 177 E CB 1.867 31.519 29.700 -0.080 0.000 1.169 177 E HN -0.074 nan 8.360 nan 0.000 0.413 178 P HA -0.149 nan 4.420 nan 0.000 0.219 178 P C 0.810 177.970 177.300 -0.233 0.000 1.146 178 P CA 1.208 64.056 63.100 -0.420 0.000 0.808 178 P CB 0.306 31.482 31.700 -0.873 0.000 0.779 179 N N -1.859 116.736 118.700 -0.176 0.000 2.336 179 N HA 0.003 4.563 4.740 -0.301 0.000 0.189 179 N C 0.361 175.838 175.510 -0.054 0.000 1.113 179 N CA 0.333 53.335 53.050 -0.080 0.000 0.858 179 N CB 0.035 38.503 38.487 -0.031 0.000 0.970 179 N HN 0.114 nan 8.380 nan 0.000 0.471 180 L N 0.764 121.950 121.223 -0.061 0.000 2.400 180 L HA 0.306 4.466 4.340 -0.301 0.000 0.264 180 L C 0.789 177.645 176.870 -0.023 0.000 1.061 180 L CA -0.384 54.439 54.840 -0.028 0.000 0.799 180 L CB 1.473 43.525 42.059 -0.013 0.000 1.240 180 L HN 0.049 nan 8.230 nan 0.000 0.461 181 S N 0.211 115.909 115.700 -0.002 0.000 2.601 181 S HA 0.303 4.592 4.470 -0.301 0.000 0.271 181 S C -0.005 174.612 174.600 0.029 0.000 1.305 181 S CA -0.545 57.659 58.200 0.007 0.000 1.022 181 S CB 0.771 63.982 63.200 0.019 0.000 0.940 181 S HN 0.642 nan 8.310 nan 0.000 0.525 182 S N 2.891 118.621 115.700 0.050 0.000 2.541 182 S HA 0.440 4.730 4.470 -0.301 0.000 0.283 182 S C -0.568 174.087 174.600 0.091 0.000 1.196 182 S CA -0.774 57.476 58.200 0.083 0.000 1.062 182 S CB 1.296 64.584 63.200 0.145 0.000 1.009 182 S HN 0.775 nan 8.310 nan 0.000 0.502 183 Q N 1.950 121.781 119.800 0.051 0.000 2.296 183 Q HA 0.317 4.476 4.340 -0.301 0.000 0.257 183 Q C -0.112 175.823 176.000 -0.109 0.000 0.942 183 Q CA -0.295 55.518 55.803 0.015 0.000 0.939 183 Q CB 0.806 29.555 28.738 0.018 0.000 1.198 183 Q HN 0.718 nan 8.270 nan 0.000 0.429 184 R N 3.922 124.304 120.500 -0.197 0.000 2.594 184 R HA 0.102 4.261 4.340 -0.301 0.000 0.272 184 R C 0.053 176.046 176.300 -0.512 0.000 1.074 184 R CA -0.053 55.638 56.100 -0.683 0.000 1.105 184 R CB 0.491 30.155 30.300 -1.060 0.000 1.008 184 R HN 0.776 nan 8.270 nan 0.000 0.472 185 I N 1.035 121.184 120.570 -0.702 0.000 4.032 185 I HA 0.018 4.008 4.170 -0.301 0.000 0.313 185 I C 0.814 176.664 176.117 -0.444 0.000 1.272 185 I CA 0.758 61.789 61.300 -0.448 0.000 1.307 185 I CB -0.116 37.597 38.000 -0.479 0.000 1.155 185 I HN 0.636 nan 8.210 nan 0.000 0.431 186 T N -3.965 110.169 114.554 -0.701 0.000 2.906 186 T HA 0.431 4.601 4.350 -0.301 0.000 0.295 186 T C -0.625 173.657 174.700 -0.696 0.000 1.061 186 T CA -0.461 61.346 62.100 -0.488 0.000 1.000 186 T CB 1.942 70.538 68.868 -0.452 0.000 1.103 186 T HN 0.124 nan 8.240 nan 0.000 0.486 187 W N -0.060 121.126 121.300 -0.190 0.000 2.534 187 W HA 0.208 4.688 4.660 -0.300 0.000 0.339 187 W C 2.149 178.609 176.519 -0.099 0.000 0.961 187 W CA 0.104 57.370 57.345 -0.132 0.000 1.545 187 W CB 0.102 29.501 29.460 -0.101 0.000 1.104 187 W HN 0.906 nan 8.180 nan 0.000 0.538 188 T N -2.120 112.470 114.554 0.060 0.000 3.088 188 T HA 0.193 4.362 4.350 -0.301 0.000 0.259 188 T C 1.374 176.060 174.700 -0.024 0.000 1.122 188 T CA 0.407 62.524 62.100 0.029 0.000 1.095 188 T CB -0.482 68.402 68.868 0.027 0.000 0.930 188 T HN 0.027 nan 8.240 nan 0.000 0.508 189 G N 1.365 110.119 108.800 -0.078 0.000 2.187 189 G HA2 0.269 4.048 3.960 -0.301 0.000 0.239 189 G HA3 0.269 4.048 3.960 -0.301 0.000 0.239 189 G C -0.494 174.331 174.900 -0.125 0.000 1.200 189 G CA -0.291 44.738 45.100 -0.119 0.000 0.888 189 G HN 0.645 nan 8.290 nan 0.000 0.482 190 K N 2.165 122.458 120.400 -0.178 0.000 2.592 190 K HA 0.125 4.265 4.320 -0.301 0.000 0.265 190 K C -0.101 176.339 176.600 -0.267 0.000 1.006 190 K CA -0.663 55.518 56.287 -0.177 0.000 0.907 190 K CB 1.205 33.644 32.500 -0.103 0.000 1.309 190 K HN 0.712 nan 8.250 nan 0.000 0.452 191 E N 3.647 123.702 120.200 -0.242 0.000 2.696 191 E HA -0.219 3.951 4.350 -0.301 0.000 0.270 191 E C -0.212 176.282 176.600 -0.177 0.000 0.958 191 E CA 1.360 57.622 56.400 -0.231 0.000 0.964 191 E CB 0.110 29.723 29.700 -0.145 0.000 0.948 191 E HN 0.801 nan 8.360 nan 0.000 0.472 192 N N 1.150 119.777 118.700 -0.121 0.000 2.690 192 N HA -0.290 4.270 4.740 -0.301 0.000 0.249 192 N C 0.131 175.696 175.510 0.091 0.000 1.125 192 N CA 0.608 53.704 53.050 0.078 0.000 0.794 192 N CB -0.359 38.168 38.487 0.066 0.000 1.152 192 N HN 0.321 nan 8.380 nan 0.000 0.571 193 V N -1.278 118.602 119.914 -0.055 0.000 3.837 193 V HA 0.246 4.186 4.120 -0.301 0.000 0.182 193 V C 0.066 176.210 176.094 0.084 0.000 1.356 193 V CA 0.276 62.609 62.300 0.055 0.000 1.260 193 V CB 0.692 32.521 31.823 0.009 0.000 1.287 193 V HN 0.044 nan 8.190 nan 0.000 0.572 194 I N 1.081 121.598 120.570 -0.089 0.000 2.406 194 I HA 0.497 4.487 4.170 -0.301 0.000 0.290 194 I C -1.467 174.586 176.117 -0.107 0.000 0.999 194 I CA -0.523 60.792 61.300 0.024 0.000 1.124 194 I CB 1.176 39.184 38.000 0.012 0.000 1.289 194 I HN 0.253 nan 8.210 nan 0.000 0.441 195 Y N 4.541 124.929 120.300 0.146 0.000 2.331 195 Y HA 0.419 4.787 4.550 -0.302 0.000 0.334 195 Y C 0.281 176.260 175.900 0.132 0.000 0.960 195 Y CA -0.773 57.420 58.100 0.155 0.000 1.130 195 Y CB 1.361 39.976 38.460 0.259 0.000 1.164 195 Y HN 0.420 nan 8.280 nan 0.000 0.458 196 N N 1.665 120.452 118.700 0.146 0.000 2.372 196 N HA 0.396 4.956 4.740 -0.301 0.000 0.285 196 N C 0.766 176.261 175.510 -0.025 0.000 1.008 196 N CA 0.435 53.513 53.050 0.047 0.000 0.880 196 N CB 2.050 40.450 38.487 -0.145 0.000 1.239 196 N HN 0.955 nan 8.380 nan 0.000 0.484 197 G N 0.375 109.178 108.800 0.005 0.000 2.267 197 G HA2 -0.289 3.490 3.960 -0.301 0.000 0.257 197 G HA3 -0.289 3.490 3.960 -0.301 0.000 0.257 197 G C 0.070 174.864 174.900 -0.177 0.000 0.998 197 G CA 0.876 45.911 45.100 -0.108 0.000 0.620 197 G HN 0.720 nan 8.290 nan 0.000 0.529 198 V N -2.006 117.852 119.914 -0.093 0.000 3.130 198 V HA 0.939 4.879 4.120 -0.301 0.000 0.310 198 V C 0.311 176.394 176.094 -0.019 0.000 1.158 198 V CA 0.066 62.176 62.300 -0.317 0.000 1.029 198 V CB 1.482 32.839 31.823 -0.778 0.000 1.057 198 V HN 1.169 nan 8.190 nan 0.000 0.436 199 T N -0.128 114.311 114.554 -0.192 0.000 2.899 199 T HA 0.493 4.663 4.350 -0.301 0.000 0.284 199 T C -0.113 174.251 174.700 -0.559 0.000 1.004 199 T CA -0.165 61.581 62.100 -0.589 0.000 1.043 199 T CB 1.130 69.633 68.868 -0.608 0.000 1.013 199 T HN 1.095 nan 8.240 nan 0.000 0.518 200 D N 0.203 119.993 120.400 -1.017 0.000 2.440 200 D HA 0.015 4.475 4.640 -0.301 0.000 0.269 200 D C 0.960 177.095 176.300 -0.275 0.000 1.249 200 D CA -1.016 52.451 54.000 -0.888 0.000 1.055 200 D CB 0.146 40.437 40.800 -0.849 0.000 1.104 200 D HN 0.716 nan 8.370 nan 0.000 0.561 201 W N -0.081 121.098 121.300 -0.202 0.000 2.333 201 W HA -0.200 4.284 4.660 -0.294 0.000 0.316 201 W C 2.227 178.606 176.519 -0.232 0.000 1.215 201 W CA 2.044 59.307 57.345 -0.136 0.000 1.278 201 W CB -0.410 28.944 29.460 -0.177 0.000 1.154 201 W HN 0.179 nan 8.180 nan 0.000 0.486 202 V N -0.092 119.934 119.914 0.188 0.000 2.515 202 V HA -0.289 3.651 4.120 -0.301 0.000 0.250 202 V C 1.776 177.674 176.094 -0.326 0.000 1.058 202 V CA 1.889 64.168 62.300 -0.036 0.000 1.064 202 V CB -0.711 31.059 31.823 -0.087 0.000 0.675 202 V HN 0.313 nan 8.190 nan 0.000 0.461 203 Y N 0.545 120.587 120.300 -0.431 0.000 2.314 203 Y HA -0.143 4.226 4.550 -0.301 0.000 0.293 203 Y C 2.549 178.141 175.900 -0.513 0.000 1.129 203 Y CA 2.072 59.819 58.100 -0.588 0.000 1.201 203 Y CB 0.070 37.921 38.460 -1.015 0.000 0.999 203 Y HN 0.400 nan 8.280 nan 0.000 0.541 204 E N 0.299 120.325 120.200 -0.290 0.000 2.015 204 E HA -0.268 3.902 4.350 -0.301 0.000 0.191 204 E C 2.017 178.524 176.600 -0.155 0.000 0.991 204 E CA 1.423 57.726 56.400 -0.162 0.000 0.802 204 E CB -0.044 29.570 29.700 -0.144 0.000 0.759 204 E HN 0.338 nan 8.360 nan 0.000 0.447 205 E N 0.180 120.112 120.200 -0.447 0.000 2.106 205 E HA -0.165 4.005 4.350 -0.301 0.000 0.192 205 E C 1.404 177.883 176.600 -0.201 0.000 0.984 205 E CA 1.514 57.651 56.400 -0.437 0.000 0.806 205 E CB 0.224 29.321 29.700 -1.006 0.000 0.750 205 E HN 0.259 nan 8.360 nan 0.000 0.458 206 E N -1.219 118.853 120.200 -0.214 0.000 2.539 206 E HA 0.115 4.285 4.350 -0.301 0.000 0.215 206 E C 1.406 177.946 176.600 -0.102 0.000 0.965 206 E CA 0.272 56.608 56.400 -0.107 0.000 1.019 206 E CB 1.269 30.887 29.700 -0.138 0.000 1.059 206 E HN 0.180 nan 8.360 nan 0.000 0.496 207 V N -0.391 119.453 119.914 -0.115 0.000 2.911 207 V HA 0.082 4.021 4.120 -0.301 0.000 0.237 207 V C 1.250 177.619 176.094 0.459 0.000 1.156 207 V CA 0.624 62.955 62.300 0.051 0.000 1.180 207 V CB -0.010 31.725 31.823 -0.146 0.000 0.932 207 V HN 0.039 nan 8.190 nan 0.000 0.483 208 F N 0.435 120.403 119.950 0.031 0.000 2.720 208 F HA 0.348 4.695 4.527 -0.299 0.000 0.301 208 F C 1.605 177.379 175.800 -0.043 0.000 1.103 208 F CA -0.352 57.675 58.000 0.044 0.000 1.291 208 F CB -0.700 38.355 39.000 0.093 0.000 1.086 208 F HN 0.121 nan 8.300 nan 0.000 0.592 209 S N 0.497 116.274 115.700 0.128 0.000 3.477 209 S HA -0.027 4.263 4.470 -0.301 0.000 0.357 209 S C 0.306 174.623 174.600 -0.471 0.000 1.083 209 S CA 0.608 58.801 58.200 -0.012 0.000 1.042 209 S CB -1.868 61.330 63.200 -0.004 0.000 0.911 209 S HN 0.650 nan 8.310 nan 0.000 0.490 210 A N -0.658 122.075 122.820 -0.145 0.000 2.612 210 A HA 0.716 4.855 4.320 -0.301 0.000 0.293 210 A C -0.326 177.314 177.584 0.093 0.000 1.075 210 A CA -0.515 51.432 52.037 -0.150 0.000 0.680 210 A CB 0.430 19.384 19.000 -0.078 0.000 1.279 210 A HN 0.340 nan 8.150 nan 0.000 0.411 211 Y N 1.177 121.403 120.300 -0.124 0.000 2.503 211 Y HA 0.288 4.659 4.550 -0.298 0.000 0.278 211 Y C 1.313 177.013 175.900 -0.334 0.000 1.111 211 Y CA 0.725 58.727 58.100 -0.164 0.000 1.270 211 Y CB 0.091 38.486 38.460 -0.108 0.000 1.063 211 Y HN 0.584 nan 8.280 nan 0.000 0.548 212 S N 0.343 115.671 115.700 -0.620 0.000 2.572 212 S HA 0.507 4.797 4.470 -0.301 0.000 0.279 212 S C 0.276 174.576 174.600 -0.499 0.000 1.341 212 S CA 0.281 57.848 58.200 -1.056 0.000 1.043 212 S CB 0.452 62.766 63.200 -1.475 0.000 0.887 212 S HN 0.425 nan 8.310 nan 0.000 0.516 213 A N 3.467 125.917 122.820 -0.616 0.000 2.897 213 A HA 0.503 4.643 4.320 -0.301 0.000 0.230 213 A C -1.000 176.036 177.584 -0.914 0.000 0.896 213 A CA -0.543 51.251 52.037 -0.406 0.000 1.114 213 A CB -0.290 18.803 19.000 0.156 0.000 1.230 213 A HN 0.785 nan 8.150 nan 0.000 0.481 214 L N -5.081 115.216 121.223 -1.543 0.000 2.506 214 L HA 0.897 5.057 4.340 -0.301 0.000 0.257 214 L C -1.659 174.583 176.870 -1.045 0.000 0.964 214 L CA -1.234 53.026 54.840 -0.967 0.000 0.836 214 L CB 0.969 42.797 42.059 -0.386 0.000 1.384 214 L HN 0.190 nan 8.230 nan 0.000 0.410 215 W N 1.972 123.355 121.300 0.139 0.000 2.631 215 W HA 0.341 4.820 4.660 -0.301 0.000 0.321 215 W C -1.317 175.447 176.519 0.410 0.000 1.004 215 W CA -0.734 56.800 57.345 0.316 0.000 1.291 215 W CB 1.336 31.018 29.460 0.370 0.000 1.300 215 W HN 0.639 nan 8.180 nan 0.000 0.422 216 W N 1.997 123.519 121.300 0.369 0.000 2.034 216 W HA 0.235 4.714 4.660 -0.301 0.000 0.357 216 W C 1.259 177.693 176.519 -0.143 0.000 1.326 216 W CA 0.533 57.978 57.345 0.167 0.000 1.318 216 W CB 0.575 30.093 29.460 0.097 0.000 1.193 216 W HN 0.160 nan 8.180 nan 0.000 0.620 217 S N 0.482 116.045 115.700 -0.228 0.000 2.687 217 S HA 0.388 4.677 4.470 -0.301 0.000 0.283 217 S C -1.981 172.413 174.600 -0.343 0.000 1.170 217 S CA -1.255 56.285 58.200 -1.099 0.000 1.008 217 S CB 1.576 64.002 63.200 -1.290 0.000 1.026 217 S HN 0.209 nan 8.310 nan 0.000 0.541 218 P HA -0.171 nan 4.420 nan 0.000 0.218 218 P C 0.786 178.064 177.300 -0.037 0.000 1.165 218 P CA 1.608 64.685 63.100 -0.039 0.000 0.922 218 P CB -0.054 31.661 31.700 0.024 0.000 0.794 219 N N -2.275 116.391 118.700 -0.058 0.000 2.235 219 N HA 0.157 4.717 4.740 -0.301 0.000 0.209 219 N C 0.531 175.995 175.510 -0.076 0.000 1.122 219 N CA 0.563 53.582 53.050 -0.051 0.000 0.845 219 N CB -0.542 37.927 38.487 -0.030 0.000 1.004 219 N HN 0.052 nan 8.380 nan 0.000 0.499 220 G N -0.282 108.479 108.800 -0.065 0.000 2.249 220 G HA2 -0.297 3.482 3.960 -0.301 0.000 0.273 220 G HA3 -0.297 3.482 3.960 -0.301 0.000 0.273 220 G C 0.935 175.860 174.900 0.041 0.000 1.036 220 G CA 1.010 46.124 45.100 0.024 0.000 0.824 220 G HN 0.375 nan 8.290 nan 0.000 0.504 221 T N -0.787 113.681 114.554 -0.142 0.000 2.937 221 T HA 0.311 4.481 4.350 -0.301 0.000 0.260 221 T C 0.717 175.053 174.700 -0.607 0.000 1.051 221 T CA 1.098 62.933 62.100 -0.442 0.000 1.141 221 T CB 0.042 68.465 68.868 -0.743 0.000 0.879 221 T HN 0.339 nan 8.240 nan 0.000 0.459 222 F N 0.149 120.142 119.950 0.070 0.000 2.556 222 F HA 0.699 5.045 4.527 -0.301 0.000 0.327 222 F C -0.481 175.388 175.800 0.115 0.000 1.059 222 F CA -1.747 56.329 58.000 0.127 0.000 0.953 222 F CB 1.387 40.518 39.000 0.218 0.000 1.227 222 F HN -0.195 nan 8.300 nan 0.000 0.478 223 L N 2.191 123.551 121.223 0.228 0.000 2.406 223 L HA 0.824 4.983 4.340 -0.301 0.000 0.270 223 L C -0.940 176.026 176.870 0.161 0.000 0.982 223 L CA -0.503 54.289 54.840 -0.080 0.000 0.843 223 L CB 0.896 42.631 42.059 -0.539 0.000 1.225 223 L HN 0.679 nan 8.230 nan 0.000 0.412 224 A N 4.664 127.660 122.820 0.295 0.000 2.305 224 A HA 0.777 4.917 4.320 -0.301 0.000 0.322 224 A C -1.375 176.303 177.584 0.155 0.000 1.187 224 A CA -0.287 51.816 52.037 0.109 0.000 0.825 224 A CB 0.526 19.629 19.000 0.172 0.000 1.164 224 A HN 0.861 nan 8.150 nan 0.000 0.498 225 Y N -0.966 119.171 120.300 -0.271 0.000 2.615 225 Y HA 0.809 5.178 4.550 -0.301 0.000 0.341 225 Y C -0.331 175.456 175.900 -0.187 0.000 1.089 225 Y CA -1.099 56.938 58.100 -0.106 0.000 1.049 225 Y CB 1.070 39.437 38.460 -0.156 0.000 1.296 225 Y HN 0.895 nan 8.280 nan 0.000 0.470 226 A N 1.986 124.879 122.820 0.123 0.000 2.355 226 A HA 0.652 4.792 4.320 -0.301 0.000 0.324 226 A C -1.262 176.229 177.584 -0.155 0.000 1.117 226 A CA -0.886 51.091 52.037 -0.100 0.000 0.785 226 A CB 1.817 20.789 19.000 -0.047 0.000 1.254 226 A HN 0.827 nan 8.150 nan 0.000 0.453 227 Q N 0.747 120.388 119.800 -0.265 0.000 2.309 227 Q HA 0.653 4.813 4.340 -0.301 0.000 0.264 227 Q C -2.000 173.727 176.000 -0.455 0.000 1.008 227 Q CA -0.415 55.314 55.803 -0.124 0.000 0.853 227 Q CB 1.179 30.032 28.738 0.192 0.000 1.314 227 Q HN 0.602 nan 8.270 nan 0.000 0.448 228 F N 2.149 122.184 119.950 0.142 0.000 2.482 228 F HA 0.393 4.741 4.527 -0.299 0.000 0.331 228 F C 0.248 176.174 175.800 0.210 0.000 1.115 228 F CA -0.900 57.157 58.000 0.096 0.000 0.955 228 F CB 1.614 40.586 39.000 -0.046 0.000 1.136 228 F HN 0.412 nan 8.300 nan 0.000 0.452 229 N N 2.096 120.990 118.700 0.323 0.000 2.479 229 N HA 0.200 4.759 4.740 -0.301 0.000 0.261 229 N C -0.870 174.792 175.510 0.254 0.000 0.979 229 N CA -0.223 52.981 53.050 0.257 0.000 0.930 229 N CB 1.160 39.746 38.487 0.166 0.000 1.172 229 N HN 0.599 nan 8.380 nan 0.000 0.499 230 D N 1.299 121.869 120.400 0.284 0.000 2.388 230 D HA 0.136 4.595 4.640 -0.301 0.000 0.221 230 D C 1.147 177.548 176.300 0.168 0.000 1.133 230 D CA 0.192 54.336 54.000 0.240 0.000 0.831 230 D CB 0.609 41.602 40.800 0.322 0.000 0.962 230 D HN 0.476 nan 8.370 nan 0.000 0.502 231 T N 0.096 114.732 114.554 0.136 0.000 2.653 231 T HA -0.203 3.967 4.350 -0.301 0.000 0.268 231 T C 1.409 176.155 174.700 0.076 0.000 1.035 231 T CA 1.285 63.441 62.100 0.093 0.000 1.154 231 T CB -0.063 68.850 68.868 0.075 0.000 0.862 231 T HN 0.309 nan 8.240 nan 0.000 0.441 232 E N 0.300 120.545 120.200 0.076 0.000 2.474 232 E HA 0.150 4.320 4.350 -0.301 0.000 0.195 232 E C -0.271 176.368 176.600 0.065 0.000 1.039 232 E CA -0.239 56.197 56.400 0.060 0.000 0.881 232 E CB 0.461 30.191 29.700 0.049 0.000 0.970 232 E HN 0.210 nan 8.360 nan 0.000 0.486 233 V N 3.703 123.668 119.914 0.085 0.000 2.470 233 V HA 0.078 4.017 4.120 -0.301 0.000 0.276 233 V C -1.980 174.158 176.094 0.073 0.000 1.040 233 V CA -1.469 60.884 62.300 0.088 0.000 1.008 233 V CB 0.358 32.249 31.823 0.113 0.000 0.990 233 V HN 0.019 nan 8.190 nan 0.000 0.477 234 P HA 0.152 nan 4.420 nan 0.000 0.270 234 P C -0.671 176.643 177.300 0.024 0.000 1.227 234 P CA -0.105 63.017 63.100 0.037 0.000 0.788 234 P CB 0.479 32.202 31.700 0.037 0.000 0.926 235 L N 1.595 122.809 121.223 -0.015 0.000 2.313 235 L HA 0.440 4.600 4.340 -0.301 0.000 0.283 235 L C 0.136 176.929 176.870 -0.127 0.000 1.013 235 L CA -1.031 53.775 54.840 -0.057 0.000 0.816 235 L CB 1.285 43.309 42.059 -0.058 0.000 1.236 235 L HN 0.287 nan 8.230 nan 0.000 0.419 236 I N 3.065 123.503 120.570 -0.221 0.000 2.395 236 I HA 0.249 4.239 4.170 -0.301 0.000 0.289 236 I C -0.299 175.622 176.117 -0.326 0.000 1.023 236 I CA 0.277 61.358 61.300 -0.365 0.000 1.350 236 I CB 0.765 38.312 38.000 -0.754 0.000 1.409 236 I HN 0.563 nan 8.210 nan 0.000 0.507 237 E N 7.400 127.445 120.200 -0.258 0.000 2.248 237 E HA 0.538 4.708 4.350 -0.301 0.000 0.267 237 E C -1.699 174.817 176.600 -0.139 0.000 0.877 237 E CA -0.599 55.648 56.400 -0.256 0.000 0.759 237 E CB 2.170 31.761 29.700 -0.181 0.000 1.182 237 E HN 0.620 nan 8.360 nan 0.000 0.418 238 Y N -1.854 118.347 120.300 -0.166 0.000 2.705 238 Y HA 0.605 4.963 4.550 -0.320 0.000 0.332 238 Y C -0.825 174.993 175.900 -0.136 0.000 1.221 238 Y CA -1.242 56.770 58.100 -0.146 0.000 1.059 238 Y CB 0.960 39.335 38.460 -0.142 0.000 1.298 238 Y HN 0.220 nan 8.280 nan 0.000 0.459 239 S N 1.181 116.934 115.700 0.087 0.000 2.541 239 S HA 0.546 4.835 4.470 -0.301 0.000 0.283 239 S C -1.655 172.857 174.600 -0.148 0.000 1.196 239 S CA -0.502 57.585 58.200 -0.188 0.000 1.062 239 S CB 0.794 63.667 63.200 -0.545 0.000 1.009 239 S HN 0.527 nan 8.310 nan 0.000 0.502 240 F N 2.654 122.395 119.950 -0.349 0.000 2.500 240 F HA 0.394 4.748 4.527 -0.288 0.000 0.349 240 F C -0.107 175.519 175.800 -0.289 0.000 1.127 240 F CA -0.844 57.047 58.000 -0.181 0.000 0.998 240 F CB 0.513 39.512 39.000 -0.002 0.000 1.237 240 F HN 0.676 nan 8.300 nan 0.000 0.439 241 Y N 2.631 122.799 120.300 -0.219 0.000 2.263 241 Y HA -0.029 4.237 4.550 -0.472 0.000 0.292 241 Y C 1.951 177.826 175.900 -0.041 0.000 1.130 241 Y CA 1.392 59.422 58.100 -0.117 0.000 1.179 241 Y CB -0.791 37.563 38.460 -0.176 0.000 0.998 241 Y HN 0.722 nan 8.280 nan 0.000 0.532 242 S N -0.323 115.351 115.700 -0.043 0.000 3.426 242 S HA -0.341 3.948 4.470 -0.301 0.000 0.630 242 S C -0.183 174.493 174.600 0.126 0.000 2.670 242 S CA 0.479 58.798 58.200 0.199 0.000 3.374 242 S CB -1.557 61.895 63.200 0.419 0.000 0.296 242 S HN 0.552 nan 8.310 nan 0.000 1.445 243 D N 1.318 121.808 120.400 0.149 0.000 2.414 243 D HA 0.268 4.727 4.640 -0.301 0.000 0.242 243 D C 1.388 177.732 176.300 0.073 0.000 1.129 243 D CA 0.854 54.912 54.000 0.097 0.000 0.885 243 D CB 0.554 41.410 40.800 0.093 0.000 1.198 243 D HN 0.500 nan 8.370 nan 0.000 0.437 244 E N 1.160 121.389 120.200 0.047 0.000 2.253 244 E HA -0.277 3.893 4.350 -0.301 0.000 0.202 244 E C 1.232 177.851 176.600 0.030 0.000 1.014 244 E CA 1.424 57.842 56.400 0.030 0.000 0.823 244 E CB 0.136 29.847 29.700 0.017 0.000 0.736 244 E HN 0.551 nan 8.360 nan 0.000 0.478 245 S N -0.135 115.589 115.700 0.040 0.000 2.496 245 S HA 0.025 4.314 4.470 -0.301 0.000 0.224 245 S C 1.096 175.725 174.600 0.048 0.000 0.996 245 S CA -0.222 58.001 58.200 0.037 0.000 0.927 245 S CB -0.025 63.198 63.200 0.038 0.000 0.774 245 S HN 0.220 nan 8.310 nan 0.000 0.524 246 L N 2.729 123.992 121.223 0.066 0.000 2.562 246 L HA 0.079 4.238 4.340 -0.301 0.000 0.271 246 L C 1.626 178.537 176.870 0.069 0.000 1.167 246 L CA 0.135 55.026 54.840 0.085 0.000 0.917 246 L CB 0.736 42.861 42.059 0.111 0.000 1.187 246 L HN 0.415 nan 8.230 nan 0.000 0.482 247 Q N 3.946 123.791 119.800 0.075 0.000 2.079 247 Q HA -0.110 4.050 4.340 -0.301 0.000 0.200 247 Q C -0.628 175.311 176.000 -0.101 0.000 0.974 247 Q CA 1.391 57.191 55.803 -0.005 0.000 0.840 247 Q CB 0.234 28.996 28.738 0.039 0.000 0.898 247 Q HN 0.587 nan 8.270 nan 0.000 0.430 248 Y N 0.036 120.349 120.300 0.022 0.000 2.393 248 Y HA 0.381 4.748 4.550 -0.305 0.000 0.341 248 Y C -2.093 173.811 175.900 0.007 0.000 0.988 248 Y CA -2.993 55.114 58.100 0.012 0.000 1.078 248 Y CB 1.354 39.813 38.460 -0.003 0.000 1.203 248 Y HN 0.089 nan 8.280 nan 0.000 0.453 249 P HA 0.120 nan 4.420 nan 0.000 0.271 249 P C -0.895 176.404 177.300 -0.003 0.000 1.218 249 P CA -0.567 62.527 63.100 -0.010 0.000 0.780 249 P CB 0.662 32.252 31.700 -0.183 0.000 0.901 250 K N 0.167 120.562 120.400 -0.009 0.000 2.177 250 K HA 0.657 4.797 4.320 -0.301 0.000 0.238 250 K C -0.608 175.950 176.600 -0.070 0.000 1.015 250 K CA -0.735 55.543 56.287 -0.015 0.000 0.922 250 K CB 0.373 32.879 32.500 0.010 0.000 1.127 250 K HN 0.185 nan 8.250 nan 0.000 0.469 251 T N 0.996 115.494 114.554 -0.094 0.000 2.812 251 T HA 0.282 4.452 4.350 -0.301 0.000 0.282 251 T C -0.592 173.983 174.700 -0.208 0.000 0.990 251 T CA -0.754 61.257 62.100 -0.148 0.000 0.960 251 T CB 1.409 70.197 68.868 -0.134 0.000 0.948 251 T HN 0.337 nan 8.240 nan 0.000 0.438 252 V N 4.673 124.366 119.914 -0.368 0.000 2.567 252 V HA 0.517 4.457 4.120 -0.301 0.000 0.289 252 V C 0.253 176.052 176.094 -0.493 0.000 1.049 252 V CA -0.586 61.428 62.300 -0.477 0.000 0.969 252 V CB 1.211 32.577 31.823 -0.762 0.000 0.995 252 V HN 0.718 nan 8.190 nan 0.000 0.471 253 R N 4.903 125.231 120.500 -0.287 0.000 2.532 253 R HA 0.745 4.904 4.340 -0.301 0.000 0.297 253 R C -1.429 174.805 176.300 -0.110 0.000 0.984 253 R CA -0.551 55.422 56.100 -0.211 0.000 0.884 253 R CB 2.105 32.328 30.300 -0.128 0.000 1.182 253 R HN 0.598 nan 8.270 nan 0.000 0.442 254 I N 2.843 123.335 120.570 -0.130 0.000 2.569 254 I HA 0.342 4.332 4.170 -0.301 0.000 0.290 254 I C -2.514 173.593 176.117 -0.018 0.000 1.088 254 I CA -2.705 58.575 61.300 -0.033 0.000 1.047 254 I CB 2.796 40.700 38.000 -0.161 0.000 1.237 254 I HN 0.240 nan 8.210 nan 0.000 0.421 255 P HA 0.100 nan 4.420 nan 0.000 0.275 255 P C -1.460 175.903 177.300 0.105 0.000 1.276 255 P CA 0.189 63.350 63.100 0.101 0.000 0.782 255 P CB -0.030 31.770 31.700 0.167 0.000 0.851 256 Y N 6.677 126.905 120.300 -0.120 0.000 2.331 256 Y HA 0.428 4.804 4.550 -0.289 0.000 0.326 256 Y C -2.789 173.052 175.900 -0.099 0.000 1.020 256 Y CA -3.194 54.785 58.100 -0.202 0.000 1.136 256 Y CB 1.760 39.962 38.460 -0.429 0.000 1.157 256 Y HN 0.277 nan 8.280 nan 0.000 0.444 257 P HA 0.237 nan 4.420 nan 0.000 0.287 257 P C -1.042 176.337 177.300 0.132 0.000 1.294 257 P CA -0.145 63.017 63.100 0.105 0.000 0.776 257 P CB 1.495 33.224 31.700 0.048 0.000 0.889 258 K N 1.940 122.466 120.400 0.210 0.000 2.109 258 K HA 0.538 4.677 4.320 -0.301 0.000 0.243 258 K C 0.369 177.063 176.600 0.157 0.000 1.006 258 K CA -0.907 55.513 56.287 0.222 0.000 0.917 258 K CB 0.844 33.480 32.500 0.226 0.000 1.081 258 K HN 0.435 nan 8.250 nan 0.000 0.468 259 A N 0.779 123.717 122.820 0.196 0.000 2.581 259 A HA 0.182 4.322 4.320 -0.301 0.000 0.257 259 A C 1.227 178.863 177.584 0.088 0.000 1.022 259 A CA 1.254 53.405 52.037 0.190 0.000 0.812 259 A CB -1.518 17.682 19.000 0.333 0.000 0.918 259 A HN 0.936 nan 8.150 nan 0.000 0.516 260 G N 1.161 110.000 108.800 0.066 0.000 2.212 260 G HA2 0.061 3.840 3.960 -0.301 0.000 0.266 260 G HA3 0.061 3.840 3.960 -0.301 0.000 0.266 260 G C 0.820 175.736 174.900 0.027 0.000 0.978 260 G CA 0.978 46.090 45.100 0.020 0.000 0.632 260 G HN 2.218 nan 8.290 nan 0.000 0.537 261 A N -0.048 122.802 122.820 0.050 0.000 2.256 261 A HA 0.626 4.766 4.320 -0.301 0.000 0.276 261 A C 0.588 178.200 177.584 0.046 0.000 1.259 261 A CA 0.912 52.979 52.037 0.049 0.000 0.813 261 A CB 0.117 19.160 19.000 0.071 0.000 1.200 261 A HN 0.926 nan 8.150 nan 0.000 0.506 262 E N 0.418 120.646 120.200 0.046 0.000 2.259 262 E HA 0.219 4.389 4.350 -0.301 0.000 0.281 262 E C -0.517 176.121 176.600 0.064 0.000 1.037 262 E CA -0.205 56.221 56.400 0.044 0.000 0.854 262 E CB 0.230 29.955 29.700 0.041 0.000 1.051 262 E HN 0.534 nan 8.360 nan 0.000 0.409 263 N N 4.752 123.489 118.700 0.063 0.000 2.476 263 N HA 0.394 4.953 4.740 -0.301 0.000 0.275 263 N C -2.375 173.209 175.510 0.123 0.000 1.190 263 N CA -1.536 51.574 53.050 0.100 0.000 0.977 263 N CB 0.609 39.161 38.487 0.109 0.000 1.200 263 N HN 0.453 nan 8.380 nan 0.000 0.515 264 P HA 0.121 nan 4.420 nan 0.000 0.274 264 P C -0.485 176.953 177.300 0.229 0.000 1.246 264 P CA -0.128 63.109 63.100 0.229 0.000 0.795 264 P CB 0.505 32.386 31.700 0.302 0.000 1.006 265 T N -2.373 112.298 114.554 0.195 0.000 2.952 265 T HA 0.598 4.768 4.350 -0.301 0.000 0.286 265 T C -0.293 174.497 174.700 0.149 0.000 1.024 265 T CA -0.834 61.336 62.100 0.117 0.000 1.029 265 T CB 1.460 70.365 68.868 0.062 0.000 1.094 265 T HN 0.351 nan 8.240 nan 0.000 0.515 266 V N 0.384 120.346 119.914 0.080 0.000 2.962 266 V HA 0.792 4.732 4.120 -0.301 0.000 0.313 266 V C -1.632 174.484 176.094 0.036 0.000 1.099 266 V CA -0.901 61.391 62.300 -0.014 0.000 0.971 266 V CB 2.111 33.958 31.823 0.039 0.000 1.028 266 V HN 1.053 nan 8.190 nan 0.000 0.430 267 K N 4.130 124.491 120.400 -0.064 0.000 2.502 267 K HA 0.526 4.666 4.320 -0.301 0.000 0.257 267 K C -1.938 174.534 176.600 -0.212 0.000 0.938 267 K CA -0.436 55.782 56.287 -0.114 0.000 0.819 267 K CB 2.838 35.253 32.500 -0.142 0.000 1.333 267 K HN 0.540 nan 8.250 nan 0.000 0.434 268 F N 2.041 121.680 119.950 -0.518 0.000 2.508 268 F HA 0.619 4.965 4.527 -0.301 0.000 0.325 268 F C -1.415 173.860 175.800 -0.876 0.000 1.090 268 F CA -0.671 57.021 58.000 -0.513 0.000 0.945 268 F CB 0.965 39.788 39.000 -0.296 0.000 1.156 268 F HN 0.401 nan 8.300 nan 0.000 0.463 269 F N 3.660 122.965 119.950 -1.075 0.000 2.588 269 F HA 0.667 5.014 4.527 -0.301 0.000 0.310 269 F C -1.066 174.265 175.800 -0.782 0.000 1.082 269 F CA -1.153 56.373 58.000 -0.789 0.000 0.929 269 F CB 2.096 40.529 39.000 -0.945 0.000 1.254 269 F HN 0.091 nan 8.300 nan 0.000 0.455 270 V N 3.247 123.078 119.914 -0.138 0.000 2.444 270 V HA 0.471 4.411 4.120 -0.301 0.000 0.294 270 V C -0.740 175.508 176.094 0.256 0.000 1.022 270 V CA -0.817 61.454 62.300 -0.047 0.000 0.850 270 V CB 1.779 33.386 31.823 -0.360 0.000 0.992 270 V HN 0.529 nan 8.190 nan 0.000 0.426 271 V N 3.559 123.663 119.914 0.317 0.000 2.439 271 V HA 0.315 4.254 4.120 -0.301 0.000 0.282 271 V C 0.080 176.438 176.094 0.440 0.000 1.039 271 V CA -0.429 62.073 62.300 0.337 0.000 0.913 271 V CB 1.800 33.750 31.823 0.212 0.000 0.983 271 V HN 0.893 nan 8.190 nan 0.000 0.460 272 D N 3.702 124.364 120.400 0.437 0.000 2.453 272 D HA 0.049 4.509 4.640 -0.301 0.000 0.223 272 D C 1.462 177.840 176.300 0.129 0.000 1.183 272 D CA -0.006 54.197 54.000 0.338 0.000 0.933 272 D CB 1.228 42.262 40.800 0.390 0.000 1.038 272 D HN 0.733 nan 8.370 nan 0.000 0.513 273 T N 1.098 115.683 114.554 0.053 0.000 3.155 273 T HA -0.063 4.107 4.350 -0.301 0.000 0.264 273 T C 1.544 176.270 174.700 0.043 0.000 1.160 273 T CA 0.497 62.636 62.100 0.065 0.000 1.075 273 T CB -0.114 68.833 68.868 0.132 0.000 0.921 273 T HN 0.290 nan 8.240 nan 0.000 0.533 274 R N 0.913 121.411 120.500 -0.003 0.000 2.189 274 R HA 0.014 4.174 4.340 -0.301 0.000 0.218 274 R C 2.345 178.670 176.300 0.042 0.000 1.074 274 R CA 1.564 57.667 56.100 0.005 0.000 0.991 274 R CB -0.213 30.070 30.300 -0.028 0.000 0.883 274 R HN 0.677 nan 8.270 nan 0.000 0.457 275 T N -2.051 112.541 114.554 0.063 0.000 3.069 275 T HA 0.230 4.400 4.350 -0.301 0.000 0.252 275 T C 0.686 175.426 174.700 0.067 0.000 1.053 275 T CA -0.250 61.892 62.100 0.070 0.000 0.964 275 T CB 0.076 68.996 68.868 0.087 0.000 1.005 275 T HN -0.014 nan 8.240 nan 0.000 0.532 276 L N 2.753 124.016 121.223 0.066 0.000 2.742 276 L HA 0.280 4.440 4.340 -0.301 0.000 0.275 276 L C 0.425 177.330 176.870 0.058 0.000 1.141 276 L CA -0.025 54.852 54.840 0.062 0.000 0.987 276 L CB -0.105 41.990 42.059 0.059 0.000 1.319 276 L HN 0.242 nan 8.230 nan 0.000 0.478 277 S N 4.171 119.905 115.700 0.057 0.000 2.569 277 S HA 0.534 4.823 4.470 -0.301 0.000 0.280 277 S C -1.672 172.962 174.600 0.056 0.000 1.111 277 S CA -1.332 56.900 58.200 0.053 0.000 0.887 277 S CB 1.927 65.156 63.200 0.048 0.000 1.095 277 S HN 0.335 nan 8.310 nan 0.000 0.476 278 P HA -0.064 nan 4.420 nan 0.000 0.218 278 P C 0.014 177.347 177.300 0.055 0.000 1.146 278 P CA 1.127 64.264 63.100 0.060 0.000 0.813 278 P CB -0.029 31.704 31.700 0.055 0.000 0.778 279 N N -0.266 118.460 118.700 0.044 0.000 2.458 279 N HA 0.368 4.928 4.740 -0.301 0.000 0.274 279 N C -0.155 175.374 175.510 0.032 0.000 1.242 279 N CA -0.005 53.066 53.050 0.034 0.000 0.904 279 N CB 1.053 39.557 38.487 0.027 0.000 1.206 279 N HN 0.108 nan 8.380 nan 0.000 0.510 280 A N 0.164 123.009 122.820 0.041 0.000 2.498 280 A HA 0.630 4.770 4.320 -0.301 0.000 0.298 280 A C 0.180 177.792 177.584 0.047 0.000 1.075 280 A CA -0.597 51.465 52.037 0.042 0.000 0.714 280 A CB 1.064 20.093 19.000 0.049 0.000 1.299 280 A HN 0.148 nan 8.150 nan 0.000 0.407 281 S N 0.339 116.065 115.700 0.044 0.000 2.593 281 S HA 0.480 4.769 4.470 -0.301 0.000 0.269 281 S C 0.120 174.762 174.600 0.070 0.000 1.334 281 S CA -0.499 57.728 58.200 0.046 0.000 1.015 281 S CB 0.878 64.100 63.200 0.037 0.000 0.912 281 S HN 1.002 nan 8.310 nan 0.000 0.541 282 V N 2.467 122.428 119.914 0.079 0.000 2.508 282 V HA 0.194 4.134 4.120 -0.301 0.000 0.281 282 V C 0.529 176.691 176.094 0.113 0.000 1.041 282 V CA -0.111 62.243 62.300 0.089 0.000 1.016 282 V CB 0.730 32.600 31.823 0.079 0.000 0.984 282 V HN 1.023 nan 8.190 nan 0.000 0.478 283 T N 4.977 119.616 114.554 0.142 0.000 2.727 283 T HA 0.449 4.619 4.350 -0.301 0.000 0.298 283 T C 0.041 174.892 174.700 0.252 0.000 0.942 283 T CA -0.114 62.100 62.100 0.190 0.000 0.997 283 T CB 0.654 69.642 68.868 0.201 0.000 0.917 283 T HN 0.855 nan 8.240 nan 0.000 0.487 284 S N 3.701 119.564 115.700 0.271 0.000 2.536 284 S HA 0.639 4.929 4.470 -0.301 0.000 0.271 284 S C -1.648 173.196 174.600 0.408 0.000 1.134 284 S CA -0.873 57.530 58.200 0.337 0.000 0.897 284 S CB 1.464 64.818 63.200 0.257 0.000 1.094 284 S HN 0.590 nan 8.310 nan 0.000 0.473 285 Y N 2.212 122.717 120.300 0.342 0.000 2.446 285 Y HA 0.574 4.943 4.550 -0.300 0.000 0.338 285 Y C -0.268 175.764 175.900 0.220 0.000 1.055 285 Y CA -0.519 57.773 58.100 0.320 0.000 1.101 285 Y CB 1.819 40.569 38.460 0.483 0.000 1.221 285 Y HN 0.854 nan 8.280 nan 0.000 0.460 286 Q N 6.040 125.513 119.800 -0.544 0.000 2.307 286 Q HA 0.489 4.649 4.340 -0.301 0.000 0.262 286 Q C -1.503 174.242 176.000 -0.426 0.000 0.961 286 Q CA -0.608 54.897 55.803 -0.496 0.000 0.882 286 Q CB 0.973 29.411 28.738 -0.500 0.000 1.264 286 Q HN 0.767 nan 8.270 nan 0.000 0.446 287 I N 4.801 125.281 120.570 -0.150 0.000 2.321 287 I HA 0.262 4.251 4.170 -0.301 0.000 0.291 287 I C 0.148 176.260 176.117 -0.008 0.000 0.998 287 I CA -0.908 60.414 61.300 0.037 0.000 1.227 287 I CB 1.371 39.453 38.000 0.136 0.000 1.368 287 I HN 0.395 nan 8.210 nan 0.000 0.466 288 V N 5.502 125.372 119.914 -0.074 0.000 2.612 288 V HA 0.650 4.590 4.120 -0.301 0.000 0.301 288 V C -2.298 173.590 176.094 -0.344 0.000 1.046 288 V CA -1.941 60.239 62.300 -0.200 0.000 0.946 288 V CB 1.082 32.780 31.823 -0.208 0.000 1.003 288 V HN 0.537 nan 8.190 nan 0.000 0.459 289 P HA 0.328 nan 4.420 nan 0.000 0.271 289 P C -2.806 174.115 177.300 -0.632 0.000 1.233 289 P CA -1.166 61.196 63.100 -1.230 0.000 0.789 289 P CB -0.458 29.968 31.700 -2.123 0.000 0.951 290 P HA 0.084 nan 4.420 nan 0.000 0.275 290 P C 0.816 177.958 177.300 -0.264 0.000 1.228 290 P CA 0.034 62.983 63.100 -0.252 0.000 0.786 290 P CB 0.191 31.812 31.700 -0.131 0.000 0.927 291 A N 2.801 125.505 122.820 -0.192 0.000 2.009 291 A HA -0.259 3.881 4.320 -0.301 0.000 0.222 291 A C 2.036 179.509 177.584 -0.185 0.000 1.175 291 A CA 2.595 54.523 52.037 -0.181 0.000 0.651 291 A CB -1.794 17.131 19.000 -0.125 0.000 0.815 291 A HN 0.631 nan 8.150 nan 0.000 0.459 292 S N -1.428 114.183 115.700 -0.148 0.000 2.507 292 S HA 0.022 4.312 4.470 -0.301 0.000 0.235 292 S C 1.397 175.842 174.600 -0.259 0.000 0.988 292 S CA 1.167 59.260 58.200 -0.178 0.000 0.944 292 S CB -0.089 63.071 63.200 -0.066 0.000 0.762 292 S HN 0.270 nan 8.310 nan 0.000 0.526 293 V N 0.584 120.351 119.914 -0.244 0.000 3.263 293 V HA 0.305 4.245 4.120 -0.301 0.000 0.248 293 V C 1.925 177.789 176.094 -0.383 0.000 1.145 293 V CA 0.422 62.557 62.300 -0.276 0.000 1.107 293 V CB -0.130 31.515 31.823 -0.297 0.000 0.797 293 V HN 0.451 nan 8.190 nan 0.000 0.467 294 L N 0.531 121.504 121.223 -0.416 0.000 2.465 294 L HA -0.053 4.107 4.340 -0.301 0.000 0.224 294 L C 2.256 179.014 176.870 -0.187 0.000 1.145 294 L CA 1.055 55.678 54.840 -0.361 0.000 0.834 294 L CB -0.330 41.533 42.059 -0.328 0.000 0.944 294 L HN 0.421 nan 8.230 nan 0.000 0.451 295 I N -2.460 118.006 120.570 -0.173 0.000 2.454 295 I HA -0.022 3.968 4.170 -0.301 0.000 0.254 295 I C 1.233 177.298 176.117 -0.087 0.000 1.156 295 I CA 0.937 62.162 61.300 -0.125 0.000 1.433 295 I CB -0.720 37.198 38.000 -0.137 0.000 1.082 295 I HN 0.136 nan 8.210 nan 0.000 0.432 296 G N 0.128 108.885 108.800 -0.071 0.000 2.947 296 G HA2 0.301 4.080 3.960 -0.301 0.000 0.293 296 G HA3 0.301 4.080 3.960 -0.301 0.000 0.293 296 G C -1.639 173.272 174.900 0.018 0.000 1.243 296 G CA -0.496 44.581 45.100 -0.038 0.000 0.802 296 G HN 0.005 nan 8.290 nan 0.000 0.560 297 D N 1.266 121.648 120.400 -0.030 0.000 2.424 297 D HA 0.359 4.819 4.640 -0.301 0.000 0.244 297 D C 0.241 176.478 176.300 -0.105 0.000 1.134 297 D CA 0.468 54.411 54.000 -0.095 0.000 0.881 297 D CB 0.678 41.376 40.800 -0.170 0.000 1.191 297 D HN 0.510 nan 8.370 nan 0.000 0.445 298 H N -0.551 118.380 119.070 -0.233 0.000 2.960 298 H HA 0.554 4.930 4.556 -0.300 0.000 0.303 298 H C -1.211 173.980 175.328 -0.227 0.000 1.412 298 H CA -0.775 55.161 56.048 -0.185 0.000 1.227 298 H CB 0.655 30.400 29.762 -0.030 0.000 1.912 298 H HN 0.284 nan 8.280 nan 0.000 0.583 299 Y N -0.379 120.160 120.300 0.399 0.000 2.562 299 Y HA 0.363 4.733 4.550 -0.301 0.000 0.345 299 Y C -0.657 175.601 175.900 0.596 0.000 1.045 299 Y CA -1.067 57.282 58.100 0.416 0.000 1.028 299 Y CB 2.067 40.638 38.460 0.185 0.000 1.297 299 Y HN 0.528 nan 8.280 nan 0.000 0.463 300 L N 2.929 124.598 121.223 0.743 0.000 2.275 300 L HA 0.541 4.701 4.340 -0.301 0.000 0.288 300 L C 0.231 177.350 176.870 0.414 0.000 1.046 300 L CA -0.345 54.604 54.840 0.181 0.000 0.805 300 L CB 0.727 42.705 42.059 -0.137 0.000 1.193 300 L HN 0.932 nan 8.230 nan 0.000 0.426 301 C N 1.584 120.959 119.300 0.125 0.000 3.525 301 C HA 0.879 5.159 4.460 -0.301 0.000 0.289 301 C C 0.580 175.500 174.990 -0.116 0.000 1.496 301 C CA -0.062 59.068 59.018 0.187 0.000 1.804 301 C CB -0.836 26.990 27.740 0.144 0.000 2.708 301 C HN 1.008 nan 8.230 nan 0.000 0.642 302 G N 0.156 108.737 108.800 -0.366 0.000 2.691 302 G HA2 0.552 4.332 3.960 -0.301 0.000 0.298 302 G HA3 0.552 4.332 3.960 -0.301 0.000 0.298 302 G C -1.836 172.618 174.900 -0.742 0.000 1.471 302 G CA -0.192 44.598 45.100 -0.516 0.000 0.912 302 G HN 0.360 nan 8.290 nan 0.000 0.553 303 V N 0.856 120.270 119.914 -0.833 0.000 2.577 303 V HA 0.832 4.772 4.120 -0.301 0.000 0.303 303 V C -0.378 175.296 176.094 -0.700 0.000 1.042 303 V CA -0.669 60.996 62.300 -1.058 0.000 0.872 303 V CB 2.126 32.774 31.823 -1.958 0.000 0.998 303 V HN 0.910 nan 8.190 nan 0.000 0.423 304 T N 3.139 117.334 114.554 -0.599 0.000 3.170 304 T HA 0.317 4.487 4.350 -0.301 0.000 0.315 304 T C -0.904 173.574 174.700 -0.369 0.000 0.967 304 T CA -0.438 61.462 62.100 -0.335 0.000 1.024 304 T CB 0.708 69.469 68.868 -0.177 0.000 1.018 304 T HN 0.546 nan 8.240 nan 0.000 0.449 305 W N 2.540 123.762 121.300 -0.130 0.000 2.216 305 W HA 0.326 4.805 4.660 -0.301 0.000 0.326 305 W C 1.121 177.544 176.519 -0.160 0.000 1.319 305 W CA -0.165 57.121 57.345 -0.098 0.000 1.213 305 W CB 0.681 30.175 29.460 0.057 0.000 1.171 305 W HN 0.462 nan 8.180 nan 0.000 0.557 306 V N 1.596 121.526 119.914 0.028 0.000 2.806 306 V HA 0.120 4.060 4.120 -0.301 0.000 0.239 306 V C 0.758 176.924 176.094 0.119 0.000 1.113 306 V CA 1.421 63.638 62.300 -0.139 0.000 1.137 306 V CB 0.054 31.555 31.823 -0.537 0.000 0.865 306 V HN 0.669 nan 8.190 nan 0.000 0.482 307 T N -4.258 110.443 114.554 0.246 0.000 2.754 307 T HA 0.331 4.501 4.350 -0.301 0.000 0.296 307 T C 0.311 175.231 174.700 0.366 0.000 1.205 307 T CA -0.514 61.736 62.100 0.250 0.000 1.009 307 T CB 1.899 70.882 68.868 0.193 0.000 1.368 307 T HN -0.049 nan 8.240 nan 0.000 0.509 308 E N 0.447 120.803 120.200 0.260 0.000 2.333 308 E HA -0.069 4.101 4.350 -0.301 0.000 0.198 308 E C 0.707 177.611 176.600 0.506 0.000 1.007 308 E CA 1.096 57.668 56.400 0.286 0.000 0.845 308 E CB 0.101 29.927 29.700 0.211 0.000 0.766 308 E HN 0.740 nan 8.360 nan 0.000 0.507 309 E N 0.157 120.612 120.200 0.424 0.000 2.789 309 E HA 0.188 4.357 4.350 -0.301 0.000 0.208 309 E C -0.024 176.812 176.600 0.394 0.000 0.988 309 E CA -0.162 56.449 56.400 0.352 0.000 1.092 309 E CB 0.777 30.616 29.700 0.232 0.000 1.066 309 E HN -0.108 nan 8.360 nan 0.000 0.465 310 R N 1.435 122.248 120.500 0.522 0.000 2.523 310 R HA 0.435 4.595 4.340 -0.301 0.000 0.278 310 R C -1.969 174.377 176.300 0.077 0.000 1.150 310 R CA -0.394 55.878 56.100 0.287 0.000 0.987 310 R CB 1.208 31.580 30.300 0.120 0.000 1.232 310 R HN 0.099 nan 8.270 nan 0.000 0.424 311 I N 2.175 122.624 120.570 -0.202 0.000 2.689 311 I HA 0.440 4.430 4.170 -0.301 0.000 0.299 311 I C -1.098 174.691 176.117 -0.547 0.000 1.059 311 I CA -0.500 60.391 61.300 -0.680 0.000 1.055 311 I CB 2.346 39.587 38.000 -1.264 0.000 1.243 311 I HN 0.630 nan 8.210 nan 0.000 0.425 312 S N 7.491 122.816 115.700 -0.625 0.000 2.474 312 S HA 0.624 4.914 4.470 -0.301 0.000 0.321 312 S C -0.960 173.304 174.600 -0.561 0.000 1.080 312 S CA -0.673 57.242 58.200 -0.476 0.000 1.106 312 S CB 0.497 63.467 63.200 -0.384 0.000 0.984 312 S HN 0.500 nan 8.310 nan 0.000 0.464 313 L N 4.198 125.113 121.223 -0.513 0.000 2.325 313 L HA 0.600 4.760 4.340 -0.301 0.000 0.278 313 L C -0.065 176.495 176.870 -0.515 0.000 1.023 313 L CA -0.700 53.718 54.840 -0.703 0.000 0.811 313 L CB 1.864 43.450 42.059 -0.788 0.000 1.249 313 L HN 0.648 nan 8.230 nan 0.000 0.431 314 Q N 1.970 121.387 119.800 -0.639 0.000 2.309 314 Q HA 0.390 4.550 4.340 -0.301 0.000 0.270 314 Q C -1.929 173.854 176.000 -0.361 0.000 1.023 314 Q CA -0.549 55.037 55.803 -0.362 0.000 0.758 314 Q CB 1.382 29.949 28.738 -0.284 0.000 1.247 314 Q HN 0.463 nan 8.270 nan 0.000 0.455 315 W N 3.664 124.939 121.300 -0.041 0.000 2.736 315 W HA 0.735 5.214 4.660 -0.301 0.000 0.355 315 W C -0.594 175.991 176.519 0.110 0.000 1.102 315 W CA -0.738 56.645 57.345 0.064 0.000 1.164 315 W CB 1.295 30.782 29.460 0.044 0.000 1.422 315 W HN 0.521 nan 8.180 nan 0.000 0.572 316 I N 1.280 122.129 120.570 0.465 0.000 2.692 316 I HA 0.374 4.364 4.170 -0.301 0.000 0.293 316 I C -0.223 176.108 176.117 0.357 0.000 1.200 316 I CA -1.112 60.406 61.300 0.363 0.000 1.036 316 I CB 1.330 39.505 38.000 0.290 0.000 1.258 316 I HN 0.427 nan 8.210 nan 0.000 0.421 317 R N 4.759 125.430 120.500 0.285 0.000 2.756 317 R HA 0.093 4.253 4.340 -0.301 0.000 0.264 317 R C 1.141 177.514 176.300 0.121 0.000 1.026 317 R CA -0.067 56.127 56.100 0.156 0.000 1.121 317 R CB 0.383 30.739 30.300 0.094 0.000 0.999 317 R HN 0.601 nan 8.270 nan 0.000 0.449 318 R N 1.954 122.429 120.500 -0.042 0.000 2.170 318 R HA -0.212 3.947 4.340 -0.301 0.000 0.242 318 R C 1.705 178.066 176.300 0.102 0.000 1.145 318 R CA 1.886 57.938 56.100 -0.080 0.000 0.984 318 R CB -0.189 29.994 30.300 -0.196 0.000 0.869 318 R HN 0.763 nan 8.270 nan 0.000 0.455 319 A N 0.227 123.089 122.820 0.069 0.000 1.930 319 A HA -0.134 4.005 4.320 -0.301 0.000 0.217 319 A C 0.810 178.450 177.584 0.094 0.000 1.175 319 A CA 1.468 53.546 52.037 0.068 0.000 0.627 319 A CB -0.034 18.995 19.000 0.048 0.000 0.815 319 A HN 0.609 nan 8.150 nan 0.000 0.443 320 Q N -2.046 117.839 119.800 0.143 0.000 2.501 320 Q HA -0.175 3.984 4.340 -0.301 0.000 0.275 320 Q C -0.442 175.650 176.000 0.153 0.000 1.074 320 Q CA 0.647 56.543 55.803 0.155 0.000 0.974 320 Q CB -2.119 26.678 28.738 0.097 0.000 1.307 320 Q HN 0.954 nan 8.270 nan 0.000 0.513 321 N N -0.520 118.270 118.700 0.151 0.000 2.305 321 N HA 0.192 4.752 4.740 -0.301 0.000 0.248 321 N C -1.049 174.559 175.510 0.163 0.000 1.290 321 N CA -0.152 52.966 53.050 0.114 0.000 0.873 321 N CB 0.471 38.999 38.487 0.069 0.000 1.261 321 N HN 0.328 nan 8.380 nan 0.000 0.504 322 Y N 0.983 121.314 120.300 0.053 0.000 2.274 322 Y HA 0.515 4.884 4.550 -0.301 0.000 0.323 322 Y C -1.334 174.607 175.900 0.069 0.000 1.171 322 Y CA -1.083 57.045 58.100 0.047 0.000 1.163 322 Y CB 0.904 39.382 38.460 0.029 0.000 1.183 322 Y HN 0.160 nan 8.280 nan 0.000 0.424 323 S N 6.618 122.223 115.700 -0.159 0.000 2.634 323 S HA 0.883 5.173 4.470 -0.301 0.000 0.296 323 S C -1.577 172.923 174.600 -0.168 0.000 1.104 323 S CA -0.636 57.557 58.200 -0.012 0.000 0.920 323 S CB 2.045 65.258 63.200 0.021 0.000 1.111 323 S HN 0.818 nan 8.310 nan 0.000 0.493 324 I N 1.187 121.764 120.570 0.013 0.000 2.827 324 I HA 0.565 4.555 4.170 -0.301 0.000 0.298 324 I C -1.882 174.268 176.117 0.055 0.000 1.235 324 I CA -1.306 59.999 61.300 0.008 0.000 1.021 324 I CB 1.852 39.904 38.000 0.087 0.000 1.259 324 I HN 0.795 nan 8.210 nan 0.000 0.427 325 I N 4.955 125.537 120.570 0.020 0.000 2.389 325 I HA 0.319 4.308 4.170 -0.301 0.000 0.288 325 I C -1.282 174.866 176.117 0.051 0.000 0.999 325 I CA -0.373 60.910 61.300 -0.028 0.000 1.129 325 I CB 1.653 39.559 38.000 -0.158 0.000 1.288 325 I HN 0.467 nan 8.210 nan 0.000 0.444 326 D N 7.244 127.664 120.400 0.032 0.000 2.344 326 D HA 0.485 4.945 4.640 -0.301 0.000 0.239 326 D C -0.716 175.570 176.300 -0.023 0.000 1.064 326 D CA -0.258 53.770 54.000 0.046 0.000 0.829 326 D CB 1.255 42.108 40.800 0.088 0.000 1.129 326 D HN 0.278 nan 8.370 nan 0.000 0.506 327 I N 4.200 124.785 120.570 0.025 0.000 2.312 327 I HA 0.302 4.292 4.170 -0.301 0.000 0.290 327 I C -0.461 175.664 176.117 0.013 0.000 1.008 327 I CA -0.742 60.553 61.300 -0.010 0.000 1.226 327 I CB 0.990 39.044 38.000 0.089 0.000 1.371 327 I HN 0.311 nan 8.210 nan 0.000 0.468 328 C N 4.574 123.869 119.300 -0.008 0.000 2.351 328 C HA 0.466 4.745 4.460 -0.301 0.000 0.326 328 C C -0.226 174.897 174.990 0.223 0.000 1.272 328 C CA -0.840 58.241 59.018 0.105 0.000 1.650 328 C CB 0.829 28.651 27.740 0.137 0.000 2.257 328 C HN 0.603 nan 8.230 nan 0.000 0.505 329 D N 0.907 121.411 120.400 0.173 0.000 2.185 329 D HA 0.218 4.678 4.640 -0.301 0.000 0.247 329 D C -0.682 175.566 176.300 -0.087 0.000 1.027 329 D CA -0.228 53.841 54.000 0.114 0.000 0.861 329 D CB 1.391 42.214 40.800 0.038 0.000 1.202 329 D HN 0.617 nan 8.370 nan 0.000 0.453 330 Y N 1.421 121.378 120.300 -0.572 0.000 2.377 330 Y HA 0.159 4.528 4.550 -0.301 0.000 0.330 330 Y C -0.177 175.379 175.900 -0.574 0.000 1.108 330 Y CA -0.291 57.110 58.100 -1.165 0.000 1.308 330 Y CB 0.750 38.219 38.460 -1.652 0.000 1.216 330 Y HN 0.147 nan 8.280 nan 0.000 0.518 331 D N 5.298 125.073 120.400 -1.042 0.000 2.412 331 D HA 0.123 4.583 4.640 -0.301 0.000 0.224 331 D C 0.334 176.035 176.300 -0.998 0.000 1.093 331 D CA -0.174 53.386 54.000 -0.734 0.000 0.850 331 D CB 0.790 41.310 40.800 -0.468 0.000 1.046 331 D HN 0.786 nan 8.370 nan 0.000 0.507 332 E N 1.431 121.199 120.200 -0.720 0.000 2.331 332 E HA -0.156 4.014 4.350 -0.301 0.000 0.199 332 E C 1.340 177.784 176.600 -0.260 0.000 1.008 332 E CA 0.912 57.038 56.400 -0.456 0.000 0.843 332 E CB 0.128 29.762 29.700 -0.110 0.000 0.761 332 E HN 0.528 nan 8.360 nan 0.000 0.507 333 S N -0.405 115.146 115.700 -0.249 0.000 2.503 333 S HA -0.021 4.269 4.470 -0.301 0.000 0.217 333 S C 1.880 176.402 174.600 -0.130 0.000 0.999 333 S CA 0.819 58.936 58.200 -0.140 0.000 0.914 333 S CB 0.234 63.369 63.200 -0.108 0.000 0.782 333 S HN 0.268 nan 8.310 nan 0.000 0.520 334 T N -4.213 110.217 114.554 -0.208 0.000 2.969 334 T HA 0.551 4.720 4.350 -0.301 0.000 0.258 334 T C 1.580 176.199 174.700 -0.134 0.000 0.962 334 T CA 0.639 62.654 62.100 -0.141 0.000 0.903 334 T CB 0.164 68.951 68.868 -0.136 0.000 1.177 334 T HN 1.131 nan 8.240 nan 0.000 0.511 335 G N 2.924 111.551 108.800 -0.288 0.000 2.176 335 G HA2 -0.268 3.512 3.960 -0.301 0.000 0.253 335 G HA3 -0.268 3.512 3.960 -0.301 0.000 0.253 335 G C 0.204 174.961 174.900 -0.239 0.000 0.979 335 G CA 0.087 45.135 45.100 -0.087 0.000 0.641 335 G HN 0.938 nan 8.290 nan 0.000 0.530 336 R N -0.906 119.277 120.500 -0.528 0.000 2.528 336 R HA 0.566 4.725 4.340 -0.301 0.000 0.271 336 R C -0.822 174.921 176.300 -0.928 0.000 1.056 336 R CA -0.785 54.720 56.100 -0.992 0.000 1.117 336 R CB 0.788 30.638 30.300 -0.750 0.000 1.085 336 R HN 0.151 nan 8.270 nan 0.000 0.530 337 W N 2.015 122.764 121.300 -0.920 0.000 2.282 337 W HA 0.421 4.902 4.660 -0.300 0.000 0.322 337 W C -0.270 176.149 176.519 -0.167 0.000 1.011 337 W CA -0.541 56.626 57.345 -0.298 0.000 1.392 337 W CB 0.683 30.100 29.460 -0.071 0.000 1.215 337 W HN 0.326 nan 8.180 nan 0.000 0.394 338 I N 3.010 123.572 120.570 -0.015 0.000 2.428 338 I HA 0.221 4.211 4.170 -0.301 0.000 0.289 338 I C 0.695 176.846 176.117 0.057 0.000 1.019 338 I CA -0.267 61.038 61.300 0.009 0.000 1.351 338 I CB 1.277 39.242 38.000 -0.060 0.000 1.412 338 I HN 0.206 nan 8.210 nan 0.000 0.513 339 S N 4.497 120.230 115.700 0.055 0.000 2.503 339 S HA 0.660 4.950 4.470 -0.301 0.000 0.301 339 S C -0.522 174.091 174.600 0.022 0.000 1.087 339 S CA -0.468 57.759 58.200 0.046 0.000 1.042 339 S CB 1.440 64.668 63.200 0.047 0.000 1.043 339 S HN 0.736 nan 8.310 nan 0.000 0.489 340 S N 3.021 118.732 115.700 0.020 0.000 2.549 340 S HA 0.457 4.747 4.470 -0.301 0.000 0.280 340 S C 0.709 175.307 174.600 -0.004 0.000 1.109 340 S CA -0.695 57.508 58.200 0.006 0.000 0.905 340 S CB 1.118 64.323 63.200 0.008 0.000 1.081 340 S HN 0.548 nan 8.310 nan 0.000 0.477 341 V N 2.472 122.376 119.914 -0.017 0.000 2.568 341 V HA -0.120 3.820 4.120 -0.301 0.000 0.253 341 V C 2.803 178.865 176.094 -0.053 0.000 1.072 341 V CA 2.449 64.730 62.300 -0.033 0.000 1.084 341 V CB -1.445 30.359 31.823 -0.030 0.000 0.676 341 V HN 0.977 nan 8.190 nan 0.000 0.469 342 A N -0.165 122.633 122.820 -0.037 0.000 1.970 342 A HA -0.077 4.062 4.320 -0.301 0.000 0.216 342 A C 2.141 179.696 177.584 -0.047 0.000 1.170 342 A CA 0.828 52.838 52.037 -0.045 0.000 0.645 342 A CB -0.281 18.712 19.000 -0.012 0.000 0.816 342 A HN 0.515 nan 8.150 nan 0.000 0.447 343 R N -0.192 120.315 120.500 0.011 0.000 2.449 343 R HA 0.183 4.342 4.340 -0.301 0.000 0.262 343 R C -0.343 176.024 176.300 0.112 0.000 1.006 343 R CA 0.003 56.171 56.100 0.114 0.000 1.104 343 R CB 0.084 30.461 30.300 0.128 0.000 1.206 343 R HN 0.591 nan 8.270 nan 0.000 0.538 344 Q N -0.297 119.448 119.800 -0.092 0.000 2.297 344 Q HA 0.343 4.503 4.340 -0.301 0.000 0.268 344 Q C -1.170 174.610 176.000 -0.366 0.000 1.045 344 Q CA -0.668 55.101 55.803 -0.055 0.000 0.861 344 Q CB 1.944 30.657 28.738 -0.042 0.000 1.344 344 Q HN 0.203 nan 8.270 nan 0.000 0.452 345 H N 0.097 119.162 119.070 -0.009 0.000 2.966 345 H HA 0.414 4.789 4.556 -0.301 0.000 0.347 345 H C -1.110 174.164 175.328 -0.091 0.000 1.048 345 H CA -0.369 55.657 56.048 -0.036 0.000 1.295 345 H CB 0.924 30.646 29.762 -0.066 0.000 1.744 345 H HN 0.410 nan 8.280 nan 0.000 0.513 346 I N 1.653 122.212 120.570 -0.019 0.000 2.437 346 I HA 0.364 4.353 4.170 -0.301 0.000 0.298 346 I C 0.025 176.051 176.117 -0.151 0.000 0.984 346 I CA -0.443 60.761 61.300 -0.160 0.000 1.214 346 I CB 1.726 39.604 38.000 -0.203 0.000 1.365 346 I HN 0.535 nan 8.210 nan 0.000 0.469 347 E N 6.267 126.320 120.200 -0.245 0.000 2.263 347 E HA 0.605 4.775 4.350 -0.301 0.000 0.268 347 E C -1.441 175.041 176.600 -0.197 0.000 0.884 347 E CA -0.595 55.719 56.400 -0.143 0.000 0.766 347 E CB 2.335 31.988 29.700 -0.080 0.000 1.196 347 E HN 0.596 nan 8.360 nan 0.000 0.416 348 I N -0.137 120.366 120.570 -0.111 0.000 3.145 348 I HA 0.721 4.711 4.170 -0.301 0.000 0.313 348 I C -0.840 175.265 176.117 -0.019 0.000 1.122 348 I CA -0.819 60.443 61.300 -0.063 0.000 0.987 348 I CB 2.389 40.373 38.000 -0.026 0.000 1.236 348 I HN 0.296 nan 8.210 nan 0.000 0.453 349 S N 0.391 116.085 115.700 -0.010 0.000 2.672 349 S HA 0.422 4.712 4.470 -0.301 0.000 0.291 349 S C 0.349 174.924 174.600 -0.042 0.000 1.145 349 S CA 0.068 58.245 58.200 -0.037 0.000 1.013 349 S CB 1.220 64.362 63.200 -0.097 0.000 1.017 349 S HN 0.939 nan 8.310 nan 0.000 0.487 350 T N 0.396 114.931 114.554 -0.032 0.000 3.051 350 T HA 0.012 4.182 4.350 -0.301 0.000 0.255 350 T C 1.485 176.153 174.700 -0.054 0.000 1.085 350 T CA 1.078 63.162 62.100 -0.028 0.000 1.109 350 T CB -0.543 68.319 68.868 -0.010 0.000 0.921 350 T HN 0.667 nan 8.240 nan 0.000 0.488 351 T N -1.819 112.693 114.554 -0.071 0.000 3.107 351 T HA 0.618 4.788 4.350 -0.301 0.000 0.249 351 T C 1.133 175.649 174.700 -0.307 0.000 1.096 351 T CA 0.188 62.239 62.100 -0.082 0.000 1.012 351 T CB 0.306 69.201 68.868 0.047 0.000 0.977 351 T HN 0.714 nan 8.240 nan 0.000 0.527 352 G N 0.774 109.282 108.800 -0.486 0.000 2.600 352 G HA2 0.385 4.165 3.960 -0.301 0.000 0.103 352 G HA3 0.385 4.165 3.960 -0.301 0.000 0.103 352 G C -1.673 172.939 174.900 -0.480 0.000 1.090 352 G CA -0.438 44.226 45.100 -0.726 0.000 1.090 352 G HN 0.499 nan 8.290 nan 0.000 0.500 353 W N 0.332 121.357 121.300 -0.458 0.000 2.367 353 W HA 0.811 5.292 4.660 -0.298 0.000 0.369 353 W C -0.270 176.213 176.519 -0.060 0.000 1.276 353 W CA -1.342 55.891 57.345 -0.188 0.000 1.415 353 W CB 0.751 30.112 29.460 -0.164 0.000 1.306 353 W HN 0.321 nan 8.180 nan 0.000 0.669 354 V N 3.050 123.068 119.914 0.174 0.000 2.539 354 V HA 0.663 4.603 4.120 -0.301 0.000 0.292 354 V C 0.950 177.187 176.094 0.237 0.000 1.045 354 V CA 0.567 62.940 62.300 0.122 0.000 0.945 354 V CB 0.254 32.134 31.823 0.095 0.000 0.993 354 V HN 1.303 nan 8.190 nan 0.000 0.464 355 G N 5.403 114.287 108.800 0.140 0.000 2.645 355 G HA2 -0.231 3.548 3.960 -0.301 0.000 0.246 355 G HA3 -0.231 3.548 3.960 -0.301 0.000 0.246 355 G C 0.505 175.555 174.900 0.251 0.000 1.322 355 G CA 0.575 45.771 45.100 0.160 0.000 0.898 355 G HN 0.651 nan 8.290 nan 0.000 0.573 356 R N -1.614 119.012 120.500 0.211 0.000 2.062 356 R HA 0.316 4.475 4.340 -0.301 0.000 0.218 356 R C 1.979 178.247 176.300 -0.054 0.000 1.161 356 R CA 1.566 57.749 56.100 0.137 0.000 0.994 356 R CB 0.009 30.376 30.300 0.113 0.000 0.888 356 R HN 0.404 nan 8.270 nan 0.000 0.442 357 F N 0.312 120.382 119.950 0.199 0.000 2.746 357 F HA 0.315 4.661 4.527 -0.301 0.000 0.320 357 F C 0.264 176.116 175.800 0.087 0.000 1.097 357 F CA -0.411 57.671 58.000 0.135 0.000 1.195 357 F CB 0.776 39.871 39.000 0.157 0.000 1.056 357 F HN -0.026 nan 8.300 nan 0.000 0.562 358 R N -1.180 119.466 120.500 0.243 0.000 3.139 358 R HA 0.233 4.392 4.340 -0.301 0.000 0.287 358 R C -3.482 172.910 176.300 0.155 0.000 0.978 358 R CA -1.385 54.815 56.100 0.168 0.000 0.837 358 R CB 0.042 30.429 30.300 0.145 0.000 1.330 358 R HN -0.344 nan 8.270 nan 0.000 0.527 359 P HA 0.150 nan 4.420 nan 0.000 0.272 359 P C -0.495 176.844 177.300 0.065 0.000 1.230 359 P CA -0.166 62.980 63.100 0.077 0.000 0.788 359 P CB 0.669 32.390 31.700 0.035 0.000 0.949 360 A N 2.180 125.038 122.820 0.063 0.000 2.388 360 A HA 0.211 4.351 4.320 -0.301 0.000 0.257 360 A C 0.583 178.176 177.584 0.016 0.000 1.095 360 A CA -0.410 51.672 52.037 0.074 0.000 0.791 360 A CB -0.145 18.918 19.000 0.104 0.000 1.029 360 A HN 0.472 nan 8.150 nan 0.000 0.489 361 E N 2.394 122.597 120.200 0.005 0.000 2.390 361 E HA 0.277 4.447 4.350 -0.301 0.000 0.261 361 E C -2.315 174.199 176.600 -0.144 0.000 1.076 361 E CA -1.467 54.867 56.400 -0.111 0.000 0.905 361 E CB 0.122 29.735 29.700 -0.146 0.000 0.984 361 E HN 0.507 nan 8.360 nan 0.000 0.427 362 P HA 0.231 nan 4.420 nan 0.000 0.282 362 P C -0.680 176.395 177.300 -0.374 0.000 1.259 362 P CA -0.315 62.548 63.100 -0.394 0.000 0.826 362 P CB 1.092 32.173 31.700 -1.032 0.000 1.064 363 H N 1.559 120.574 119.070 -0.092 0.000 2.860 363 H HA 0.301 4.676 4.556 -0.301 0.000 0.312 363 H C -0.392 174.993 175.328 0.095 0.000 0.995 363 H CA -0.291 55.809 56.048 0.086 0.000 1.311 363 H CB 0.302 30.152 29.762 0.146 0.000 1.478 363 H HN 0.292 nan 8.280 nan 0.000 0.508 364 F N 1.733 121.825 119.950 0.237 0.000 2.389 364 F HA 0.079 4.426 4.527 -0.301 0.000 0.337 364 F C 1.664 177.616 175.800 0.253 0.000 1.112 364 F CA -0.496 57.657 58.000 0.255 0.000 1.192 364 F CB 0.962 40.050 39.000 0.148 0.000 1.185 364 F HN 0.361 nan 8.300 nan 0.000 0.552 365 T N -1.676 113.126 114.554 0.412 0.000 2.802 365 T HA 0.022 4.192 4.350 -0.301 0.000 0.305 365 T C 1.399 176.271 174.700 0.287 0.000 1.053 365 T CA -0.173 62.115 62.100 0.313 0.000 1.058 365 T CB 1.082 70.102 68.868 0.254 0.000 0.988 365 T HN 0.636 nan 8.240 nan 0.000 0.539 366 S N 0.466 116.298 115.700 0.220 0.000 2.419 366 S HA -0.150 4.139 4.470 -0.301 0.000 0.235 366 S C 1.454 176.159 174.600 0.175 0.000 1.019 366 S CA 1.618 59.930 58.200 0.186 0.000 0.982 366 S CB -0.797 62.492 63.200 0.148 0.000 0.789 366 S HN 0.912 nan 8.310 nan 0.000 0.490 367 D N -1.207 119.300 120.400 0.178 0.000 2.398 367 D HA 0.195 4.655 4.640 -0.301 0.000 0.210 367 D C 1.264 177.672 176.300 0.181 0.000 1.094 367 D CA 0.773 54.867 54.000 0.158 0.000 0.839 367 D CB -0.544 40.336 40.800 0.132 0.000 0.963 367 D HN 0.455 nan 8.370 nan 0.000 0.506 368 G N 1.389 110.335 108.800 0.243 0.000 2.166 368 G HA2 -0.399 3.381 3.960 -0.301 0.000 0.260 368 G HA3 -0.399 3.381 3.960 -0.301 0.000 0.260 368 G C 0.727 175.820 174.900 0.322 0.000 0.986 368 G CA 0.561 45.846 45.100 0.309 0.000 0.683 368 G HN 0.499 nan 8.290 nan 0.000 0.527 369 N N -0.076 118.772 118.700 0.248 0.000 2.467 369 N HA 0.298 4.858 4.740 -0.301 0.000 0.184 369 N C 0.862 176.493 175.510 0.203 0.000 1.106 369 N CA 0.689 53.861 53.050 0.202 0.000 0.892 369 N CB 0.153 38.726 38.487 0.143 0.000 0.969 369 N HN 0.759 nan 8.380 nan 0.000 0.454 370 S N -0.486 115.360 115.700 0.243 0.000 2.636 370 S HA 0.618 4.907 4.470 -0.301 0.000 0.266 370 S C -1.551 173.102 174.600 0.088 0.000 1.147 370 S CA -1.126 57.141 58.200 0.112 0.000 0.815 370 S CB 1.058 64.316 63.200 0.097 0.000 1.119 370 S HN 0.141 nan 8.310 nan 0.000 0.470 371 F N -1.682 118.114 119.950 -0.255 0.000 2.713 371 F HA 0.853 5.200 4.527 -0.300 0.000 0.311 371 F C -2.274 173.270 175.800 -0.426 0.000 1.141 371 F CA -1.474 56.260 58.000 -0.443 0.000 0.939 371 F CB 0.404 38.746 39.000 -1.097 0.000 1.325 371 F HN 0.649 nan 8.300 nan 0.000 0.453 372 Y N 1.115 121.495 120.300 0.132 0.000 2.468 372 Y HA 0.763 5.132 4.550 -0.301 0.000 0.342 372 Y C -0.188 175.880 175.900 0.280 0.000 1.021 372 Y CA -0.963 57.199 58.100 0.103 0.000 1.079 372 Y CB 2.243 40.673 38.460 -0.049 0.000 1.226 372 Y HN 0.829 nan 8.280 nan 0.000 0.460 373 K N 1.544 122.182 120.400 0.397 0.000 2.597 373 K HA 0.556 4.695 4.320 -0.301 0.000 0.282 373 K C -2.059 174.687 176.600 0.243 0.000 0.975 373 K CA -0.589 55.892 56.287 0.322 0.000 0.867 373 K CB 1.662 34.327 32.500 0.275 0.000 1.465 373 K HN 0.717 nan 8.250 nan 0.000 0.417 374 I N 5.483 126.158 120.570 0.174 0.000 2.312 374 I HA 0.337 4.327 4.170 -0.301 0.000 0.291 374 I C 0.157 176.355 176.117 0.135 0.000 1.031 374 I CA -0.565 60.814 61.300 0.131 0.000 1.293 374 I CB 0.537 38.590 38.000 0.087 0.000 1.403 374 I HN 0.503 nan 8.210 nan 0.000 0.484 375 I N 1.808 122.484 120.570 0.177 0.000 3.174 375 I HA 0.552 4.542 4.170 -0.301 0.000 0.313 375 I C -0.425 175.817 176.117 0.208 0.000 1.155 375 I CA -0.717 60.686 61.300 0.171 0.000 0.977 375 I CB 2.309 40.427 38.000 0.197 0.000 1.248 375 I HN 0.233 nan 8.210 nan 0.000 0.453 376 S N 2.922 118.702 115.700 0.134 0.000 2.528 376 S HA 0.229 4.519 4.470 -0.301 0.000 0.277 376 S C -0.124 174.583 174.600 0.178 0.000 1.297 376 S CA -0.603 57.638 58.200 0.069 0.000 1.052 376 S CB 0.243 63.417 63.200 -0.043 0.000 0.917 376 S HN 0.786 nan 8.310 nan 0.000 0.492 377 N N 2.099 120.797 118.700 -0.003 0.000 2.364 377 N HA 0.153 4.712 4.740 -0.301 0.000 0.264 377 N C 0.448 175.897 175.510 -0.100 0.000 1.263 377 N CA -0.584 52.307 53.050 -0.265 0.000 0.959 377 N CB 0.065 38.045 38.487 -0.845 0.000 1.204 377 N HN 0.368 nan 8.380 nan 0.000 0.550 378 E N -0.782 119.352 120.200 -0.110 0.000 2.267 378 E HA -0.171 3.999 4.350 -0.301 0.000 0.197 378 E C 0.311 176.882 176.600 -0.048 0.000 0.998 378 E CA 1.404 57.776 56.400 -0.047 0.000 0.830 378 E CB -0.257 29.419 29.700 -0.040 0.000 0.751 378 E HN 0.702 nan 8.360 nan 0.000 0.491 379 E N -0.882 119.293 120.200 -0.042 0.000 2.463 379 E HA 0.279 4.449 4.350 -0.301 0.000 0.193 379 E C 0.795 177.372 176.600 -0.040 0.000 1.041 379 E CA 0.429 56.846 56.400 0.029 0.000 0.879 379 E CB 0.656 30.441 29.700 0.141 0.000 0.997 379 E HN 0.232 nan 8.360 nan 0.000 0.478 380 G N 0.397 109.110 108.800 -0.144 0.000 2.137 380 G HA2 -0.306 3.474 3.960 -0.301 0.000 0.237 380 G HA3 -0.306 3.474 3.960 -0.301 0.000 0.237 380 G C -0.575 173.990 174.900 -0.559 0.000 1.002 380 G CA -0.253 44.644 45.100 -0.337 0.000 0.702 380 G HN 0.277 nan 8.290 nan 0.000 0.515 381 Y N 0.236 120.426 120.300 -0.183 0.000 2.352 381 Y HA 0.522 4.892 4.550 -0.300 0.000 0.339 381 Y C 0.829 176.551 175.900 -0.297 0.000 0.992 381 Y CA -0.876 57.079 58.100 -0.241 0.000 1.100 381 Y CB 1.416 39.759 38.460 -0.196 0.000 1.192 381 Y HN 0.002 nan 8.280 nan 0.000 0.458 382 K N 4.730 124.958 120.400 -0.287 0.000 2.338 382 K HA 0.244 4.384 4.320 -0.301 0.000 0.290 382 K C -0.744 175.515 176.600 -0.569 0.000 1.069 382 K CA -0.107 56.017 56.287 -0.270 0.000 0.941 382 K CB 0.240 32.635 32.500 -0.174 0.000 1.023 382 K HN 0.642 nan 8.250 nan 0.000 0.477 383 H N 1.317 120.362 119.070 -0.040 0.000 2.941 383 H HA 0.375 4.751 4.556 -0.300 0.000 0.344 383 H C -0.142 175.241 175.328 0.091 0.000 1.235 383 H CA -0.944 55.053 56.048 -0.085 0.000 1.149 383 H CB 1.383 31.013 29.762 -0.221 0.000 1.885 383 H HN 0.327 nan 8.280 nan 0.000 0.558 384 I N 1.352 122.001 120.570 0.133 0.000 2.352 384 I HA 0.078 4.068 4.170 -0.301 0.000 0.290 384 I C 0.400 176.558 176.117 0.068 0.000 1.036 384 I CA -0.005 61.332 61.300 0.062 0.000 1.336 384 I CB 0.386 38.320 38.000 -0.110 0.000 1.407 384 I HN 0.117 nan 8.210 nan 0.000 0.497 385 c N 6.398 124.964 118.600 -0.056 0.000 2.391 385 c HA 0.342 4.731 4.570 -0.301 0.000 0.339 385 c C 0.050 173.944 174.090 -0.327 0.000 1.205 385 c CA -0.375 55.682 56.329 -0.454 0.000 1.937 385 c CB 0.722 42.681 42.510 -0.919 0.000 2.341 385 c HN 0.795 nan 8.230 nan 0.000 0.516 386 H N 3.534 122.234 119.070 -0.616 0.000 2.556 386 H HA 0.519 4.895 4.556 -0.301 0.000 0.310 386 H C -1.324 173.469 175.328 -0.892 0.000 1.057 386 H CA -0.512 55.139 56.048 -0.661 0.000 1.264 386 H CB 0.446 29.948 29.762 -0.434 0.000 1.404 386 H HN 0.575 nan 8.280 nan 0.000 0.462 387 F N 2.801 122.323 119.950 -0.714 0.000 2.443 387 F HA 0.143 4.490 4.527 -0.300 0.000 0.335 387 F C 0.249 175.592 175.800 -0.762 0.000 1.104 387 F CA -0.907 56.545 58.000 -0.914 0.000 1.013 387 F CB 1.763 39.835 39.000 -1.546 0.000 1.136 387 F HN 0.542 nan 8.300 nan 0.000 0.470 388 Q N 1.389 121.010 119.800 -0.297 0.000 2.314 388 Q HA 0.227 4.386 4.340 -0.301 0.000 0.257 388 Q C 0.910 176.949 176.000 0.065 0.000 0.975 388 Q CA 0.127 55.847 55.803 -0.139 0.000 0.933 388 Q CB 1.349 30.010 28.738 -0.129 0.000 1.195 388 Q HN 0.808 nan 8.270 nan 0.000 0.426 389 T N 2.630 117.272 114.554 0.146 0.000 2.684 389 T HA -0.260 3.910 4.350 -0.301 0.000 0.267 389 T C 0.475 175.409 174.700 0.391 0.000 1.032 389 T CA 2.096 64.411 62.100 0.359 0.000 1.155 389 T CB -0.186 68.907 68.868 0.375 0.000 0.857 389 T HN 0.850 nan 8.240 nan 0.000 0.457 390 D N -0.414 120.115 120.400 0.216 0.000 2.363 390 D HA 0.124 4.584 4.640 -0.301 0.000 0.214 390 D C 0.615 176.952 176.300 0.063 0.000 1.093 390 D CA -0.081 53.998 54.000 0.131 0.000 0.837 390 D CB 0.244 41.094 40.800 0.084 0.000 0.948 390 D HN 0.084 nan 8.370 nan 0.000 0.507 391 K N -0.323 120.128 120.400 0.085 0.000 2.303 391 K HA 0.450 4.589 4.320 -0.301 0.000 0.233 391 K C 0.825 177.442 176.600 0.029 0.000 1.046 391 K CA -0.446 55.853 56.287 0.020 0.000 0.895 391 K CB 1.359 33.850 32.500 -0.014 0.000 1.220 391 K HN 0.020 nan 8.250 nan 0.000 0.470 392 S N -1.745 113.953 115.700 -0.003 0.000 2.524 392 S HA -0.002 4.287 4.470 -0.301 0.000 0.222 392 S C 0.349 174.986 174.600 0.061 0.000 1.040 392 S CA -0.271 57.941 58.200 0.021 0.000 0.915 392 S CB -0.447 62.733 63.200 -0.034 0.000 0.831 392 S HN 0.670 nan 8.310 nan 0.000 0.492 393 N N 1.086 119.770 118.700 -0.027 0.000 2.493 393 N HA 0.540 5.100 4.740 -0.301 0.000 0.275 393 N C -0.174 175.184 175.510 -0.253 0.000 1.186 393 N CA -0.463 52.524 53.050 -0.104 0.000 0.978 393 N CB 1.203 39.624 38.487 -0.109 0.000 1.184 393 N HN 0.499 nan 8.380 nan 0.000 0.487 394 c N -1.314 117.021 118.600 -0.441 0.000 2.994 394 c HA 0.702 5.091 4.570 -0.301 0.000 0.304 394 c C -0.502 173.206 174.090 -0.636 0.000 1.273 394 c CA -0.697 55.139 56.329 -0.821 0.000 1.537 394 c CB 1.125 42.547 42.510 -1.813 0.000 2.001 394 c HN 0.732 nan 8.230 nan 0.000 0.471 395 T N 2.491 116.690 114.554 -0.592 0.000 2.770 395 T HA 0.522 4.692 4.350 -0.301 0.000 0.283 395 T C -0.684 173.829 174.700 -0.312 0.000 0.988 395 T CA 0.158 62.065 62.100 -0.322 0.000 0.957 395 T CB 0.208 68.998 68.868 -0.130 0.000 0.930 395 T HN 0.485 nan 8.240 nan 0.000 0.443 396 F N 3.515 123.365 119.950 -0.167 0.000 2.495 396 F HA 0.255 4.602 4.527 -0.301 0.000 0.365 396 F C 1.608 177.296 175.800 -0.188 0.000 1.090 396 F CA -0.748 57.151 58.000 -0.167 0.000 1.235 396 F CB 0.451 39.360 39.000 -0.151 0.000 1.119 396 F HN 0.562 nan 8.300 nan 0.000 0.562 397 I N -0.273 120.232 120.570 -0.108 0.000 4.018 397 I HA 0.277 4.267 4.170 -0.301 0.000 0.337 397 I C 0.009 176.015 176.117 -0.185 0.000 1.327 397 I CA 0.077 61.126 61.300 -0.418 0.000 1.100 397 I CB -0.011 37.422 38.000 -0.946 0.000 1.025 397 I HN 0.508 nan 8.210 nan 0.000 0.396 398 T N -1.009 113.481 114.554 -0.105 0.000 2.923 398 T HA 0.634 4.804 4.350 -0.301 0.000 0.311 398 T C -0.940 173.436 174.700 -0.540 0.000 1.183 398 T CA -0.664 61.356 62.100 -0.134 0.000 1.020 398 T CB 2.913 71.767 68.868 -0.023 0.000 1.165 398 T HN 0.313 nan 8.240 nan 0.000 0.482 399 K N 0.298 120.240 120.400 -0.762 0.000 2.579 399 K HA 0.730 4.870 4.320 -0.301 0.000 0.284 399 K C -0.727 175.320 176.600 -0.922 0.000 0.990 399 K CA 0.079 55.602 56.287 -1.272 0.000 0.880 399 K CB 1.809 33.936 32.500 -0.622 0.000 1.488 399 K HN 1.552 nan 8.250 nan 0.000 0.425 400 G N -0.033 108.243 108.800 -0.873 0.000 2.347 400 G HA2 0.336 4.116 3.960 -0.301 0.000 0.321 400 G HA3 0.336 4.116 3.960 -0.301 0.000 0.321 400 G C -1.304 173.112 174.900 -0.807 0.000 1.412 400 G CA -0.343 44.451 45.100 -0.510 0.000 0.990 400 G HN 0.666 nan 8.290 nan 0.000 0.637 401 A N 0.786 123.292 122.820 -0.524 0.000 3.019 401 A HA 0.619 4.759 4.320 -0.301 0.000 0.262 401 A C 0.344 177.744 177.584 -0.306 0.000 1.509 401 A CA 0.535 52.047 52.037 -0.874 0.000 1.159 401 A CB -1.067 17.684 19.000 -0.415 0.000 1.042 401 A HN 1.552 nan 8.150 nan 0.000 0.641 402 W N -1.414 119.742 121.300 -0.240 0.000 3.003 402 W HA 0.738 5.217 4.660 -0.301 0.000 0.362 402 W C -0.930 175.621 176.519 0.054 0.000 1.213 402 W CA -0.876 56.478 57.345 0.016 0.000 1.157 402 W CB 0.381 29.845 29.460 0.006 0.000 1.493 402 W HN 0.166 nan 8.180 nan 0.000 0.589 403 E N 0.440 120.786 120.200 0.244 0.000 2.369 403 E HA 0.452 4.622 4.350 -0.301 0.000 0.270 403 E C -1.281 175.395 176.600 0.127 0.000 0.909 403 E CA -1.143 55.201 56.400 -0.094 0.000 0.775 403 E CB 3.333 33.038 29.700 0.008 0.000 1.270 403 E HN 0.129 nan 8.360 nan 0.000 0.445 404 V N 3.692 123.547 119.914 -0.098 0.000 2.488 404 V HA 0.018 3.957 4.120 -0.301 0.000 0.277 404 V C 1.218 177.392 176.094 0.134 0.000 1.046 404 V CA -0.069 62.275 62.300 0.073 0.000 0.986 404 V CB 0.686 32.443 31.823 -0.109 0.000 0.989 404 V HN 0.680 nan 8.190 nan 0.000 0.475 405 I N 3.246 123.947 120.570 0.219 0.000 2.233 405 I HA 0.198 4.187 4.170 -0.301 0.000 0.243 405 I C 1.127 177.370 176.117 0.211 0.000 1.093 405 I CA 1.436 62.881 61.300 0.242 0.000 1.380 405 I CB -0.977 37.138 38.000 0.191 0.000 1.067 405 I HN 0.765 nan 8.210 nan 0.000 0.413 406 G N 0.370 109.282 108.800 0.186 0.000 2.489 406 G HA2 0.486 4.266 3.960 -0.301 0.000 0.291 406 G HA3 0.486 4.266 3.960 -0.301 0.000 0.291 406 G C -1.270 173.702 174.900 0.120 0.000 1.487 406 G CA -0.678 44.516 45.100 0.157 0.000 0.795 406 G HN -0.034 nan 8.290 nan 0.000 0.513 407 I N 1.075 121.646 120.570 0.003 0.000 2.365 407 I HA 0.288 4.277 4.170 -0.301 0.000 0.291 407 I C 0.654 176.692 176.117 -0.132 0.000 1.004 407 I CA -0.602 60.597 61.300 -0.168 0.000 1.311 407 I CB 1.858 39.486 38.000 -0.619 0.000 1.401 407 I HN 0.528 nan 8.210 nan 0.000 0.491 408 E N 4.279 124.430 120.200 -0.082 0.000 2.340 408 E HA 0.327 4.497 4.350 -0.301 0.000 0.198 408 E C 0.122 176.551 176.600 -0.286 0.000 0.961 408 E CA 0.208 56.553 56.400 -0.092 0.000 0.905 408 E CB 1.086 30.767 29.700 -0.033 0.000 0.884 408 E HN 0.735 nan 8.360 nan 0.000 0.491 409 A N 0.386 122.993 122.820 -0.355 0.000 2.566 409 A HA 0.617 4.756 4.320 -0.301 0.000 0.290 409 A C -2.091 175.428 177.584 -0.108 0.000 1.071 409 A CA -0.638 51.195 52.037 -0.340 0.000 0.658 409 A CB 1.147 19.602 19.000 -0.909 0.000 1.285 409 A HN 0.027 nan 8.150 nan 0.000 0.427 410 L N 0.861 122.076 121.223 -0.014 0.000 2.661 410 L HA 0.660 4.819 4.340 -0.301 0.000 0.263 410 L C -0.102 176.824 176.870 0.094 0.000 0.956 410 L CA 0.586 55.451 54.840 0.042 0.000 0.918 410 L CB 1.864 43.951 42.059 0.046 0.000 1.280 410 L HN 1.311 nan 8.230 nan 0.000 0.416 411 T N -0.269 114.364 114.554 0.132 0.000 2.949 411 T HA 0.436 4.605 4.350 -0.301 0.000 0.287 411 T C 1.191 175.940 174.700 0.082 0.000 1.034 411 T CA -0.004 62.177 62.100 0.135 0.000 1.018 411 T CB 1.444 70.434 68.868 0.203 0.000 1.135 411 T HN 0.693 nan 8.240 nan 0.000 0.532 412 S N 0.179 115.922 115.700 0.071 0.000 2.420 412 S HA -0.165 4.125 4.470 -0.301 0.000 0.237 412 S C 0.982 175.557 174.600 -0.042 0.000 1.023 412 S CA 1.314 59.538 58.200 0.039 0.000 0.991 412 S CB -0.596 62.632 63.200 0.047 0.000 0.792 412 S HN 0.759 nan 8.310 nan 0.000 0.488 413 D N -0.142 120.191 120.400 -0.112 0.000 2.369 413 D HA 0.225 4.685 4.640 -0.301 0.000 0.231 413 D C 0.101 176.032 176.300 -0.616 0.000 0.967 413 D CA 0.745 54.504 54.000 -0.401 0.000 0.905 413 D CB 0.013 40.459 40.800 -0.590 0.000 1.044 413 D HN 0.474 nan 8.370 nan 0.000 0.487 414 Y N -0.295 119.963 120.300 -0.069 0.000 2.650 414 Y HA 0.525 4.894 4.550 -0.301 0.000 0.331 414 Y C -0.156 175.586 175.900 -0.262 0.000 1.082 414 Y CA -1.286 56.683 58.100 -0.218 0.000 1.171 414 Y CB 1.703 39.920 38.460 -0.404 0.000 1.326 414 Y HN -0.255 nan 8.280 nan 0.000 0.513 415 L N 1.972 123.065 121.223 -0.217 0.000 2.482 415 L HA 0.473 4.633 4.340 -0.301 0.000 0.269 415 L C -2.139 174.587 176.870 -0.240 0.000 0.967 415 L CA -1.262 53.446 54.840 -0.219 0.000 0.851 415 L CB 0.278 42.129 42.059 -0.347 0.000 1.242 415 L HN 0.577 nan 8.230 nan 0.000 0.404 416 Y N 5.697 125.890 120.300 -0.178 0.000 2.334 416 Y HA 0.658 5.028 4.550 -0.301 0.000 0.328 416 Y C 0.020 175.880 175.900 -0.068 0.000 1.130 416 Y CA -0.220 57.746 58.100 -0.224 0.000 1.163 416 Y CB 1.321 39.468 38.460 -0.522 0.000 1.207 416 Y HN 0.606 nan 8.280 nan 0.000 0.471 417 Y N -0.533 119.794 120.300 0.045 0.000 2.764 417 Y HA 0.781 5.151 4.550 -0.301 0.000 0.331 417 Y C -1.970 174.014 175.900 0.140 0.000 1.280 417 Y CA -1.893 56.235 58.100 0.047 0.000 1.065 417 Y CB 1.166 39.633 38.460 0.011 0.000 1.319 417 Y HN 0.333 nan 8.280 nan 0.000 0.453 418 I N 2.593 123.422 120.570 0.431 0.000 2.498 418 I HA 0.623 4.613 4.170 -0.301 0.000 0.290 418 I C -0.681 175.688 176.117 0.421 0.000 1.032 418 I CA -0.504 60.995 61.300 0.331 0.000 1.073 418 I CB 2.026 40.148 38.000 0.204 0.000 1.251 418 I HN 0.877 nan 8.210 nan 0.000 0.426 419 S N 3.762 119.691 115.700 0.382 0.000 2.607 419 S HA 0.414 4.704 4.470 -0.301 0.000 0.273 419 S C -0.395 174.341 174.600 0.226 0.000 1.148 419 S CA -0.801 57.606 58.200 0.345 0.000 0.833 419 S CB 1.956 65.428 63.200 0.453 0.000 1.130 419 S HN 0.635 nan 8.310 nan 0.000 0.470 420 N N 0.164 118.999 118.700 0.226 0.000 2.279 420 N HA 0.096 4.655 4.740 -0.301 0.000 0.226 420 N C 0.717 176.273 175.510 0.075 0.000 1.126 420 N CA 0.073 53.193 53.050 0.117 0.000 0.846 420 N CB 0.046 38.584 38.487 0.084 0.000 1.050 420 N HN 0.872 nan 8.380 nan 0.000 0.502 421 E N 0.700 120.831 120.200 -0.114 0.000 2.038 421 E HA -0.286 3.883 4.350 -0.301 0.000 0.195 421 E C 0.110 176.555 176.600 -0.259 0.000 1.000 421 E CA 0.727 56.763 56.400 -0.607 0.000 0.803 421 E CB -0.374 28.275 29.700 -1.751 0.000 0.750 421 E HN 0.515 nan 8.360 nan 0.000 0.448 422 H N 0.556 119.547 119.070 -0.132 0.000 3.115 422 H HA -0.061 4.315 4.556 -0.301 0.000 0.324 422 H C 0.205 175.510 175.328 -0.039 0.000 1.007 422 H CA 1.347 57.366 56.048 -0.048 0.000 1.385 422 H CB 0.369 30.136 29.762 0.010 0.000 1.351 422 H HN 0.200 nan 8.280 nan 0.000 0.592 423 K N 2.855 122.925 120.400 -0.549 0.000 3.363 423 K HA -0.207 3.933 4.320 -0.301 0.000 0.313 423 K C 1.062 177.605 176.600 -0.096 0.000 1.259 423 K CA 1.518 57.588 56.287 -0.361 0.000 0.942 423 K CB -1.520 30.755 32.500 -0.376 0.000 1.229 423 K HN 1.146 nan 8.250 nan 0.000 0.440 424 G N 0.059 108.818 108.800 -0.068 0.000 2.203 424 G HA2 -0.350 3.430 3.960 -0.301 0.000 0.263 424 G HA3 -0.350 3.430 3.960 -0.301 0.000 0.263 424 G C 0.032 174.974 174.900 0.070 0.000 1.012 424 G CA 0.913 46.038 45.100 0.043 0.000 0.749 424 G HN 0.473 nan 8.290 nan 0.000 0.512 425 M N -0.963 118.586 119.600 -0.085 0.000 2.101 425 M HA 0.485 4.784 4.480 -0.301 0.000 0.340 425 M C -1.490 174.602 176.300 -0.347 0.000 1.057 425 M CA -2.346 52.705 55.300 -0.415 0.000 0.984 425 M CB 2.134 34.404 32.600 -0.550 0.000 1.560 425 M HN -0.087 nan 8.290 nan 0.000 0.435 426 P HA -0.027 nan 4.420 nan 0.000 0.230 426 P C 1.014 178.197 177.300 -0.195 0.000 1.158 426 P CA 1.203 64.205 63.100 -0.164 0.000 0.769 426 P CB 0.057 31.717 31.700 -0.066 0.000 0.807 427 G N -0.589 108.015 108.800 -0.327 0.000 3.141 427 G HA2 0.299 4.079 3.960 -0.301 0.000 0.218 427 G HA3 0.299 4.079 3.960 -0.301 0.000 0.218 427 G C 0.662 175.546 174.900 -0.026 0.000 1.170 427 G CA 0.128 45.140 45.100 -0.148 0.000 0.769 427 G HN 0.449 nan 8.290 nan 0.000 0.546 428 G N -0.368 108.367 108.800 -0.109 0.000 2.600 428 G HA2 0.695 4.474 3.960 -0.301 0.000 0.303 428 G HA3 0.695 4.474 3.960 -0.301 0.000 0.303 428 G C -1.095 173.674 174.900 -0.218 0.000 1.253 428 G CA -0.804 44.247 45.100 -0.081 0.000 0.974 428 G HN 0.093 nan 8.290 nan 0.000 0.483 429 R N 0.413 120.754 120.500 -0.264 0.000 2.668 429 R HA 0.524 4.683 4.340 -0.301 0.000 0.272 429 R C -1.348 174.952 176.300 -0.001 0.000 1.019 429 R CA -0.954 55.030 56.100 -0.194 0.000 0.894 429 R CB 1.976 32.013 30.300 -0.437 0.000 1.228 429 R HN 0.599 nan 8.270 nan 0.000 0.460 430 N N 0.859 119.587 118.700 0.047 0.000 2.416 430 N HA 0.341 4.901 4.740 -0.301 0.000 0.276 430 N C -1.362 174.039 175.510 -0.181 0.000 1.261 430 N CA -0.790 52.167 53.050 -0.155 0.000 0.790 430 N CB 2.755 41.018 38.487 -0.372 0.000 1.554 430 N HN 0.317 nan 8.380 nan 0.000 0.481 431 L N 1.929 122.890 121.223 -0.437 0.000 2.292 431 L HA 0.499 4.659 4.340 -0.301 0.000 0.284 431 L C -1.440 175.087 176.870 -0.572 0.000 1.065 431 L CA 0.058 54.700 54.840 -0.332 0.000 0.806 431 L CB 0.007 41.872 42.059 -0.322 0.000 1.175 431 L HN 0.415 nan 8.230 nan 0.000 0.431 432 Y N 3.933 123.898 120.300 -0.559 0.000 2.576 432 Y HA 0.659 5.028 4.550 -0.301 0.000 0.346 432 Y C -0.313 175.168 175.900 -0.699 0.000 1.018 432 Y CA -0.859 56.824 58.100 -0.695 0.000 1.050 432 Y CB 1.666 39.508 38.460 -1.030 0.000 1.280 432 Y HN 0.516 nan 8.280 nan 0.000 0.474 433 R N 2.500 122.793 120.500 -0.346 0.000 2.561 433 R HA 0.715 4.875 4.340 -0.301 0.000 0.297 433 R C -1.963 174.249 176.300 -0.146 0.000 0.969 433 R CA -0.652 55.192 56.100 -0.427 0.000 0.879 433 R CB 1.579 31.529 30.300 -0.585 0.000 1.178 433 R HN 0.873 nan 8.270 nan 0.000 0.445 434 I N 2.245 122.795 120.570 -0.034 0.000 2.569 434 I HA 0.286 4.276 4.170 -0.301 0.000 0.296 434 I C -0.772 175.410 176.117 0.109 0.000 1.028 434 I CA -0.713 60.651 61.300 0.106 0.000 1.082 434 I CB 2.170 40.276 38.000 0.175 0.000 1.264 434 I HN 0.641 nan 8.210 nan 0.000 0.429 435 Q N 4.763 124.649 119.800 0.144 0.000 2.294 435 Q HA 0.196 4.355 4.340 -0.301 0.000 0.257 435 Q C 0.328 176.383 176.000 0.091 0.000 0.955 435 Q CA -0.591 55.238 55.803 0.043 0.000 0.936 435 Q CB 1.473 30.235 28.738 0.039 0.000 1.188 435 Q HN 0.674 nan 8.270 nan 0.000 0.420 436 L N 3.236 124.446 121.223 -0.021 0.000 2.275 436 L HA -0.183 3.977 4.340 -0.301 0.000 0.215 436 L C 1.263 178.194 176.870 0.102 0.000 1.119 436 L CA 1.432 56.350 54.840 0.130 0.000 0.790 436 L CB -0.493 41.570 42.059 0.006 0.000 0.919 436 L HN 0.640 nan 8.230 nan 0.000 0.443 437 N N -2.056 116.614 118.700 -0.051 0.000 2.273 437 N HA 0.137 4.696 4.740 -0.301 0.000 0.231 437 N C -0.764 174.634 175.510 -0.186 0.000 1.134 437 N CA -0.071 52.909 53.050 -0.117 0.000 0.856 437 N CB 0.300 38.735 38.487 -0.087 0.000 1.068 437 N HN 0.099 nan 8.380 nan 0.000 0.510 438 D N -0.498 119.773 120.400 -0.214 0.000 2.369 438 D HA 0.023 4.483 4.640 -0.301 0.000 0.185 438 D C -0.837 175.455 176.300 -0.014 0.000 1.253 438 D CA -0.415 53.472 54.000 -0.189 0.000 1.107 438 D CB -0.464 40.286 40.800 -0.084 0.000 1.588 438 D HN -0.050 nan 8.370 nan 0.000 0.561 439 Y N 0.835 121.146 120.300 0.017 0.000 2.632 439 Y HA 0.036 4.406 4.550 -0.300 0.000 0.301 439 Y C 2.467 178.389 175.900 0.037 0.000 1.172 439 Y CA 1.152 59.270 58.100 0.030 0.000 1.328 439 Y CB -0.897 37.585 38.460 0.037 0.000 1.016 439 Y HN 0.453 nan 8.280 nan 0.000 0.529 440 T N -2.752 111.884 114.554 0.137 0.000 3.067 440 T HA 0.027 4.196 4.350 -0.301 0.000 0.261 440 T C 0.661 175.414 174.700 0.087 0.000 1.110 440 T CA 0.028 62.185 62.100 0.095 0.000 1.113 440 T CB -0.181 68.716 68.868 0.048 0.000 0.917 440 T HN 0.118 nan 8.240 nan 0.000 0.499 441 K N 1.771 122.227 120.400 0.093 0.000 2.244 441 K HA 0.547 4.687 4.320 -0.301 0.000 0.263 441 K C -1.293 175.370 176.600 0.104 0.000 1.103 441 K CA -0.395 55.943 56.287 0.084 0.000 0.966 441 K CB 1.439 33.983 32.500 0.073 0.000 1.429 441 K HN 0.151 nan 8.250 nan 0.000 0.434 442 V N 2.760 122.730 119.914 0.094 0.000 2.531 442 V HA 0.370 4.310 4.120 -0.301 0.000 0.301 442 V C -0.782 175.349 176.094 0.061 0.000 1.034 442 V CA -0.240 62.118 62.300 0.097 0.000 0.865 442 V CB 1.975 33.886 31.823 0.147 0.000 0.995 442 V HN 0.650 nan 8.190 nan 0.000 0.424 443 T N 5.192 119.748 114.554 0.004 0.000 2.943 443 T HA 0.369 4.539 4.350 -0.301 0.000 0.284 443 T C -0.536 174.088 174.700 -0.126 0.000 1.015 443 T CA -0.343 61.722 62.100 -0.059 0.000 1.042 443 T CB 1.394 70.194 68.868 -0.114 0.000 1.055 443 T HN 0.851 nan 8.240 nan 0.000 0.500 444 C N 4.227 123.376 119.300 -0.252 0.000 2.258 444 C HA 0.467 4.747 4.460 -0.301 0.000 0.321 444 C C 1.569 176.259 174.990 -0.500 0.000 1.168 444 C CA -0.768 57.874 59.018 -0.627 0.000 1.531 444 C CB -2.069 25.221 27.740 -0.752 0.000 2.095 444 C HN 0.971 nan 8.230 nan 0.000 0.449 445 L N 4.314 125.249 121.223 -0.479 0.000 2.465 445 L HA 0.020 4.179 4.340 -0.301 0.000 0.224 445 L C 2.237 178.861 176.870 -0.410 0.000 1.145 445 L CA 1.429 56.065 54.840 -0.341 0.000 0.834 445 L CB -0.375 41.528 42.059 -0.261 0.000 0.944 445 L HN 0.882 nan 8.230 nan 0.000 0.451 446 S N -2.839 112.485 115.700 -0.626 0.000 2.575 446 S HA -0.031 4.259 4.470 -0.301 0.000 0.230 446 S C 1.967 176.175 174.600 -0.652 0.000 1.062 446 S CA 0.114 57.842 58.200 -0.786 0.000 0.913 446 S CB -0.343 62.004 63.200 -1.421 0.000 0.837 446 S HN 0.340 nan 8.310 nan 0.000 0.487 447 C N 2.188 121.095 119.300 -0.655 0.000 2.369 447 C HA -0.088 4.191 4.460 -0.301 0.000 0.273 447 C C 2.312 177.102 174.990 -0.333 0.000 1.172 447 C CA 1.631 60.274 59.018 -0.625 0.000 1.791 447 C CB -1.299 25.892 27.740 -0.914 0.000 2.086 447 C HN 0.611 nan 8.230 nan 0.000 0.459 448 E N -0.038 120.011 120.200 -0.251 0.000 2.444 448 E HA 0.200 4.369 4.350 -0.301 0.000 0.191 448 E C 1.737 178.303 176.600 -0.058 0.000 1.041 448 E CA -0.044 56.286 56.400 -0.116 0.000 0.883 448 E CB -0.229 29.412 29.700 -0.099 0.000 1.024 448 E HN 0.594 nan 8.360 nan 0.000 0.470 449 L N -0.566 120.630 121.223 -0.045 0.000 2.156 449 L HA 0.043 4.202 4.340 -0.301 0.000 0.208 449 L C 0.436 177.330 176.870 0.040 0.000 1.095 449 L CA 0.850 55.700 54.840 0.017 0.000 0.770 449 L CB 0.024 42.124 42.059 0.069 0.000 0.914 449 L HN 0.064 nan 8.230 nan 0.000 0.439 450 N N -1.614 117.124 118.700 0.063 0.000 2.926 450 N HA 0.062 4.622 4.740 -0.301 0.000 0.201 450 N C -2.028 173.514 175.510 0.054 0.000 1.419 450 N CA -0.424 52.652 53.050 0.043 0.000 0.838 450 N CB 1.007 39.511 38.487 0.027 0.000 1.534 450 N HN -0.186 nan 8.380 nan 0.000 0.569 451 P HA -0.246 nan 4.420 nan 0.000 0.218 451 P C 0.466 177.808 177.300 0.070 0.000 1.152 451 P CA 1.585 64.731 63.100 0.077 0.000 0.857 451 P CB 0.453 32.198 31.700 0.075 0.000 0.787 452 E N -0.920 119.304 120.200 0.040 0.000 2.190 452 E HA -0.031 4.138 4.350 -0.301 0.000 0.191 452 E C 2.272 178.878 176.600 0.009 0.000 0.978 452 E CA 0.402 56.819 56.400 0.028 0.000 0.839 452 E CB -0.268 29.442 29.700 0.017 0.000 0.787 452 E HN 0.331 nan 8.360 nan 0.000 0.473 453 R N -0.117 120.377 120.500 -0.010 0.000 2.112 453 R HA 0.082 4.241 4.340 -0.301 0.000 0.216 453 R C 0.053 176.307 176.300 -0.076 0.000 1.080 453 R CA 0.597 56.668 56.100 -0.048 0.000 0.996 453 R CB 0.410 30.671 30.300 -0.065 0.000 0.902 453 R HN -0.003 nan 8.270 nan 0.000 0.449 454 c N 1.043 119.605 118.600 -0.063 0.000 2.335 454 c HA 0.404 4.794 4.570 -0.301 0.000 0.318 454 c C 0.107 174.199 174.090 0.004 0.000 1.150 454 c CA -0.684 55.545 56.329 -0.168 0.000 1.466 454 c CB 1.166 43.472 42.510 -0.340 0.000 2.024 454 c HN 0.518 nan 8.230 nan 0.000 0.429 455 Q N 0.308 120.121 119.800 0.021 0.000 2.164 455 Q HA 0.200 4.360 4.340 -0.301 0.000 0.226 455 Q C -0.793 175.311 176.000 0.174 0.000 0.813 455 Q CA 0.175 56.070 55.803 0.153 0.000 0.978 455 Q CB 1.142 29.964 28.738 0.139 0.000 1.149 455 Q HN 0.789 nan 8.270 nan 0.000 0.489 456 Y N 0.509 120.798 120.300 -0.019 0.000 2.402 456 Y HA 0.371 4.741 4.550 -0.300 0.000 0.325 456 Y C -1.468 174.448 175.900 0.027 0.000 1.009 456 Y CA -1.139 57.002 58.100 0.068 0.000 1.278 456 Y CB 0.593 39.107 38.460 0.089 0.000 1.105 456 Y HN -0.092 nan 8.280 nan 0.000 0.476 457 Y N 1.618 121.938 120.300 0.033 0.000 2.650 457 Y HA 0.774 5.144 4.550 -0.300 0.000 0.331 457 Y C 0.080 176.069 175.900 0.148 0.000 1.082 457 Y CA -0.614 57.518 58.100 0.053 0.000 1.171 457 Y CB 2.245 40.659 38.460 -0.077 0.000 1.326 457 Y HN 0.443 nan 8.280 nan 0.000 0.513 458 S N -0.064 115.853 115.700 0.361 0.000 2.587 458 S HA 0.931 5.221 4.470 -0.301 0.000 0.269 458 S C -1.536 173.211 174.600 0.246 0.000 1.154 458 S CA -0.524 57.875 58.200 0.331 0.000 0.824 458 S CB 1.507 65.005 63.200 0.498 0.000 1.118 458 S HN 1.224 nan 8.310 nan 0.000 0.462 459 A N 0.490 123.459 122.820 0.248 0.000 2.566 459 A HA 0.932 5.071 4.320 -0.301 0.000 0.292 459 A C -0.688 177.074 177.584 0.297 0.000 1.112 459 A CA -0.470 51.692 52.037 0.209 0.000 0.707 459 A CB 1.607 20.665 19.000 0.096 0.000 1.302 459 A HN 1.796 nan 8.150 nan 0.000 0.409 460 S N 0.322 116.188 115.700 0.278 0.000 2.756 460 S HA 0.697 4.987 4.470 -0.301 0.000 0.303 460 S C -1.436 173.390 174.600 0.376 0.000 1.135 460 S CA -0.370 58.078 58.200 0.413 0.000 1.066 460 S CB -0.166 63.299 63.200 0.441 0.000 1.008 460 S HN 0.456 nan 8.310 nan 0.000 0.482 461 F N 3.018 123.024 119.950 0.094 0.000 2.377 461 F HA 0.500 4.847 4.527 -0.301 0.000 0.328 461 F C 1.399 176.750 175.800 -0.748 0.000 1.094 461 F CA -0.389 57.490 58.000 -0.202 0.000 1.093 461 F CB 1.481 40.337 39.000 -0.240 0.000 1.214 461 F HN 0.664 nan 8.300 nan 0.000 0.518 462 S N 1.107 116.128 115.700 -1.130 0.000 2.641 462 S HA 0.287 4.577 4.470 -0.301 0.000 0.261 462 S C -0.195 174.159 174.600 -0.409 0.000 1.257 462 S CA -0.951 56.353 58.200 -1.492 0.000 0.983 462 S CB 0.085 62.465 63.200 -1.368 0.000 0.990 462 S HN 0.649 nan 8.310 nan 0.000 0.572 463 N N 1.052 119.663 118.700 -0.148 0.000 2.492 463 N HA 0.150 4.710 4.740 -0.301 0.000 0.260 463 N C -0.330 175.189 175.510 0.015 0.000 1.215 463 N CA -0.265 52.792 53.050 0.013 0.000 0.923 463 N CB 0.087 38.628 38.487 0.091 0.000 1.092 463 N HN 0.611 nan 8.380 nan 0.000 0.448 464 K N 0.957 121.382 120.400 0.042 0.000 3.160 464 K HA -0.300 3.840 4.320 -0.301 0.000 0.280 464 K C 0.284 176.902 176.600 0.031 0.000 1.154 464 K CA 0.424 56.742 56.287 0.053 0.000 0.822 464 K CB -1.631 30.911 32.500 0.071 0.000 1.239 464 K HN 0.881 nan 8.250 nan 0.000 0.489 465 A N -0.406 122.415 122.820 0.000 0.000 2.767 465 A HA -0.371 3.769 4.320 -0.301 0.000 0.282 465 A C 1.400 178.988 177.584 0.006 0.000 1.416 465 A CA 2.343 54.391 52.037 0.018 0.000 0.932 465 A CB -1.366 17.562 19.000 -0.119 0.000 0.979 465 A HN 0.598 nan 8.150 nan 0.000 0.616 466 K N -2.326 118.049 120.400 -0.041 0.000 2.097 466 K HA 0.011 4.151 4.320 -0.301 0.000 0.206 466 K C 0.381 176.753 176.600 -0.381 0.000 1.049 466 K CA 1.684 57.873 56.287 -0.165 0.000 0.933 466 K CB -0.051 32.397 32.500 -0.087 0.000 0.717 466 K HN 0.731 nan 8.250 nan 0.000 0.442 467 Y N -1.537 118.662 120.300 -0.168 0.000 2.634 467 Y HA 0.367 4.737 4.550 -0.301 0.000 0.340 467 Y C -0.926 174.781 175.900 -0.321 0.000 1.058 467 Y CA -1.454 56.525 58.100 -0.202 0.000 1.081 467 Y CB 1.849 40.224 38.460 -0.142 0.000 1.295 467 Y HN -0.031 nan 8.280 nan 0.000 0.487 468 Y N -0.984 119.210 120.300 -0.176 0.000 2.474 468 Y HA 0.394 4.763 4.550 -0.301 0.000 0.326 468 Y C -1.476 174.378 175.900 -0.076 0.000 1.160 468 Y CA -1.362 56.482 58.100 -0.428 0.000 1.056 468 Y CB 1.146 38.678 38.460 -1.546 0.000 1.330 468 Y HN 0.615 nan 8.280 nan 0.000 0.447 469 Q N 4.508 124.425 119.800 0.195 0.000 2.243 469 Q HA 0.527 4.687 4.340 -0.301 0.000 0.252 469 Q C -1.698 174.359 176.000 0.095 0.000 0.909 469 Q CA -0.753 55.102 55.803 0.085 0.000 0.922 469 Q CB 1.437 30.203 28.738 0.046 0.000 1.215 469 Q HN 0.965 nan 8.270 nan 0.000 0.427 470 L N 4.495 125.746 121.223 0.048 0.000 2.309 470 L HA 0.542 4.702 4.340 -0.301 0.000 0.282 470 L C -0.661 176.206 176.870 -0.005 0.000 1.036 470 L CA -0.646 54.223 54.840 0.048 0.000 0.806 470 L CB 1.386 43.421 42.059 -0.040 0.000 1.220 470 L HN 0.759 nan 8.230 nan 0.000 0.429 471 R N 3.031 123.489 120.500 -0.069 0.000 2.451 471 R HA 0.313 4.472 4.340 -0.301 0.000 0.307 471 R C -0.994 174.841 176.300 -0.775 0.000 0.965 471 R CA -0.502 55.278 56.100 -0.533 0.000 0.865 471 R CB 1.760 31.767 30.300 -0.489 0.000 1.174 471 R HN 0.571 nan 8.270 nan 0.000 0.455 472 c N 4.171 122.191 118.600 -0.967 0.000 2.307 472 c HA 0.489 4.878 4.570 -0.301 0.000 0.340 472 c C 0.474 174.006 174.090 -0.930 0.000 1.275 472 c CA -0.487 55.219 56.329 -1.039 0.000 1.811 472 c CB -0.634 41.326 42.510 -0.918 0.000 2.372 472 c HN 0.983 nan 8.230 nan 0.000 0.531 473 F N 4.027 123.850 119.950 -0.212 0.000 2.682 473 F HA 0.476 4.824 4.527 -0.299 0.000 0.308 473 F C 1.444 177.209 175.800 -0.059 0.000 1.093 473 F CA 0.650 58.588 58.000 -0.104 0.000 1.244 473 F CB 0.393 39.341 39.000 -0.086 0.000 1.052 473 F HN 1.007 nan 8.300 nan 0.000 0.573 474 G N 0.111 108.929 108.800 0.031 0.000 2.341 474 G HA2 0.100 3.880 3.960 -0.301 0.000 0.293 474 G HA3 0.100 3.880 3.960 -0.301 0.000 0.293 474 G C -2.500 172.420 174.900 0.033 0.000 1.298 474 G CA -0.638 44.495 45.100 0.055 0.000 0.868 474 G HN -0.320 nan 8.290 nan 0.000 0.540 475 P HA 0.088 nan 4.420 nan 0.000 0.226 475 P C 1.398 178.732 177.300 0.057 0.000 1.153 475 P CA 1.485 64.636 63.100 0.086 0.000 0.777 475 P CB 0.062 31.806 31.700 0.073 0.000 0.794 476 G N 0.503 109.276 108.800 -0.045 0.000 2.611 476 G HA2 0.285 4.064 3.960 -0.301 0.000 0.273 476 G HA3 0.285 4.064 3.960 -0.301 0.000 0.273 476 G C -0.090 174.631 174.900 -0.299 0.000 1.305 476 G CA -0.646 44.362 45.100 -0.153 0.000 1.010 476 G HN 0.059 nan 8.290 nan 0.000 0.509 477 L N 0.906 121.876 121.223 -0.422 0.000 2.456 477 L HA 0.132 4.292 4.340 -0.301 0.000 0.272 477 L C -1.847 174.881 176.870 -0.237 0.000 1.189 477 L CA -1.258 53.284 54.840 -0.497 0.000 0.846 477 L CB 0.595 42.423 42.059 -0.384 0.000 1.111 477 L HN 0.248 nan 8.230 nan 0.000 0.475 478 P HA -0.016 nan 4.420 nan 0.000 0.262 478 P C -0.853 176.386 177.300 -0.103 0.000 1.182 478 P CA 0.116 63.159 63.100 -0.095 0.000 0.761 478 P CB 0.461 32.258 31.700 0.161 0.000 0.795 479 L N 6.068 127.110 121.223 -0.303 0.000 2.372 479 L HA 0.420 4.579 4.340 -0.301 0.000 0.273 479 L C -1.602 175.087 176.870 -0.302 0.000 0.989 479 L CA -0.668 54.060 54.840 -0.187 0.000 0.841 479 L CB 0.447 42.405 42.059 -0.169 0.000 1.225 479 L HN 0.206 nan 8.230 nan 0.000 0.414 480 Y N 3.045 123.286 120.300 -0.098 0.000 2.341 480 Y HA 0.665 5.034 4.550 -0.301 0.000 0.340 480 Y C 0.886 176.692 175.900 -0.157 0.000 0.997 480 Y CA -0.562 57.469 58.100 -0.114 0.000 1.149 480 Y CB 1.374 39.791 38.460 -0.071 0.000 1.171 480 Y HN 0.667 nan 8.280 nan 0.000 0.494 481 T N 0.889 115.435 114.554 -0.014 0.000 2.926 481 T HA 0.773 4.943 4.350 -0.301 0.000 0.289 481 T C -1.262 173.401 174.700 -0.062 0.000 1.054 481 T CA -0.959 61.105 62.100 -0.060 0.000 1.015 481 T CB 1.997 70.881 68.868 0.028 0.000 1.167 481 T HN 0.428 nan 8.240 nan 0.000 0.526 482 L N 0.932 122.041 121.223 -0.189 0.000 2.381 482 L HA 0.784 4.944 4.340 -0.301 0.000 0.268 482 L C -1.532 175.170 176.870 -0.280 0.000 0.997 482 L CA -0.328 54.426 54.840 -0.144 0.000 0.818 482 L CB 1.690 43.628 42.059 -0.201 0.000 1.310 482 L HN 0.911 nan 8.230 nan 0.000 0.416 483 H N 0.975 119.761 119.070 -0.473 0.000 2.946 483 H HA 0.625 5.000 4.556 -0.301 0.000 0.365 483 H C -1.033 174.062 175.328 -0.388 0.000 1.197 483 H CA -0.722 54.986 56.048 -0.567 0.000 1.131 483 H CB 1.908 31.018 29.762 -1.087 0.000 1.849 483 H HN 0.542 nan 8.280 nan 0.000 0.555 484 S N -0.148 115.487 115.700 -0.108 0.000 2.508 484 S HA 0.251 4.540 4.470 -0.301 0.000 0.284 484 S C 0.619 175.159 174.600 -0.100 0.000 1.192 484 S CA -0.493 57.620 58.200 -0.145 0.000 1.070 484 S CB 0.744 63.883 63.200 -0.102 0.000 1.004 484 S HN 0.612 nan 8.310 nan 0.000 0.493 485 S N 2.788 118.413 115.700 -0.124 0.000 2.461 485 S HA -0.047 4.243 4.470 -0.301 0.000 0.228 485 S C 1.988 176.597 174.600 0.015 0.000 1.005 485 S CA 1.017 59.271 58.200 0.091 0.000 0.942 485 S CB -0.146 63.097 63.200 0.072 0.000 0.776 485 S HN 0.863 nan 8.310 nan 0.000 0.514 486 S N 2.041 117.696 115.700 -0.075 0.000 2.339 486 S HA -0.038 4.251 4.470 -0.301 0.000 0.213 486 S C 2.003 176.579 174.600 -0.040 0.000 1.033 486 S CA 0.988 59.156 58.200 -0.054 0.000 0.950 486 S CB -0.950 62.213 63.200 -0.062 0.000 0.893 486 S HN 0.505 nan 8.310 nan 0.000 0.492 487 S N 1.327 117.000 115.700 -0.045 0.000 2.537 487 S HA -0.050 4.240 4.470 -0.301 0.000 0.240 487 S C 0.106 174.697 174.600 -0.015 0.000 0.981 487 S CA 0.959 59.144 58.200 -0.026 0.000 0.948 487 S CB -1.116 62.069 63.200 -0.025 0.000 0.759 487 S HN 0.430 nan 8.310 nan 0.000 0.531 488 D N 1.123 121.524 120.400 0.001 0.000 2.692 488 D HA -0.157 4.303 4.640 -0.301 0.000 0.233 488 D C -0.231 176.082 176.300 0.021 0.000 1.172 488 D CA 1.259 55.279 54.000 0.034 0.000 0.636 488 D CB -1.055 39.747 40.800 0.003 0.000 1.028 488 D HN 0.767 nan 8.370 nan 0.000 0.419 489 K N 0.610 121.008 120.400 -0.004 0.000 2.259 489 K HA 0.330 4.469 4.320 -0.301 0.000 0.252 489 K C -0.374 176.151 176.600 -0.124 0.000 0.936 489 K CA -0.697 55.564 56.287 -0.044 0.000 0.810 489 K CB 1.528 34.002 32.500 -0.043 0.000 1.143 489 K HN -0.045 nan 8.250 nan 0.000 0.427 490 E N 5.932 126.009 120.200 -0.206 0.000 1.893 490 E HA 0.054 4.224 4.350 -0.301 0.000 0.269 490 E C 0.807 177.214 176.600 -0.322 0.000 1.129 490 E CA -0.170 55.947 56.400 -0.472 0.000 0.904 490 E CB 0.258 29.696 29.700 -0.436 0.000 1.077 490 E HN 0.684 nan 8.360 nan 0.000 0.407 491 L N 3.988 125.041 121.223 -0.284 0.000 2.034 491 L HA -0.217 3.943 4.340 -0.301 0.000 0.217 491 L C 1.287 178.063 176.870 -0.157 0.000 1.077 491 L CA 1.611 56.357 54.840 -0.156 0.000 0.769 491 L CB -0.806 41.196 42.059 -0.096 0.000 0.890 491 L HN 0.621 nan 8.230 nan 0.000 0.435 492 R N -2.922 117.445 120.500 -0.221 0.000 3.033 492 R HA 0.343 4.503 4.340 -0.301 0.000 0.284 492 R C -1.580 174.596 176.300 -0.206 0.000 0.997 492 R CA -0.964 55.030 56.100 -0.177 0.000 0.851 492 R CB 0.997 31.223 30.300 -0.122 0.000 1.297 492 R HN -0.268 nan 8.270 nan 0.000 0.518 493 V N 2.794 122.615 119.914 -0.155 0.000 2.455 493 V HA 0.156 4.096 4.120 -0.301 0.000 0.273 493 V C 1.438 177.423 176.094 -0.182 0.000 1.045 493 V CA -0.313 61.903 62.300 -0.140 0.000 0.976 493 V CB 1.074 32.848 31.823 -0.082 0.000 0.993 493 V HN 0.617 nan 8.190 nan 0.000 0.475 494 L N 2.733 123.794 121.223 -0.270 0.000 2.270 494 L HA 0.239 4.399 4.340 -0.301 0.000 0.210 494 L C 0.712 177.494 176.870 -0.148 0.000 1.104 494 L CA 0.734 55.272 54.840 -0.504 0.000 0.804 494 L CB 0.224 41.618 42.059 -1.108 0.000 0.937 494 L HN 0.749 nan 8.230 nan 0.000 0.450 495 E N -0.268 119.930 120.200 -0.005 0.000 2.597 495 E HA 0.062 4.231 4.350 -0.301 0.000 0.310 495 E C -1.233 175.435 176.600 0.113 0.000 0.970 495 E CA -0.295 56.166 56.400 0.100 0.000 0.819 495 E CB 0.946 30.738 29.700 0.153 0.000 1.267 495 E HN 0.118 nan 8.360 nan 0.000 0.411 496 D N 3.056 123.492 120.400 0.059 0.000 2.500 496 D HA 0.155 4.615 4.640 -0.301 0.000 0.217 496 D C -0.281 176.029 176.300 0.017 0.000 1.159 496 D CA -0.214 53.803 54.000 0.028 0.000 0.828 496 D CB -0.041 40.757 40.800 -0.005 0.000 1.039 496 D HN 0.446 nan 8.370 nan 0.000 0.512 497 N N 0.763 119.484 118.700 0.035 0.000 2.721 497 N HA -0.219 4.341 4.740 -0.301 0.000 0.249 497 N C 1.045 176.556 175.510 0.002 0.000 1.072 497 N CA 0.924 53.986 53.050 0.020 0.000 0.710 497 N CB -1.346 37.151 38.487 0.018 0.000 0.993 497 N HN 0.490 nan 8.380 nan 0.000 0.547 498 S N -1.094 114.608 115.700 0.004 0.000 2.387 498 S HA -0.145 4.145 4.470 -0.301 0.000 0.230 498 S C 2.058 176.665 174.600 0.011 0.000 1.035 498 S CA 1.183 59.383 58.200 0.001 0.000 1.014 498 S CB -0.178 63.025 63.200 0.003 0.000 0.836 498 S HN 0.551 nan 8.310 nan 0.000 0.466 499 A N 2.650 125.482 122.820 0.021 0.000 1.828 499 A HA 0.039 4.179 4.320 -0.301 0.000 0.215 499 A C 2.235 179.854 177.584 0.059 0.000 1.203 499 A CA 1.623 53.681 52.037 0.036 0.000 0.614 499 A CB -1.304 17.715 19.000 0.032 0.000 0.844 499 A HN 0.525 nan 8.150 nan 0.000 0.445 500 L N 0.479 121.744 121.223 0.071 0.000 2.054 500 L HA -0.288 3.872 4.340 -0.301 0.000 0.220 500 L C 2.068 178.979 176.870 0.068 0.000 1.081 500 L CA 2.886 57.793 54.840 0.111 0.000 0.780 500 L CB -0.729 41.388 42.059 0.096 0.000 0.893 500 L HN 0.575 nan 8.230 nan 0.000 0.438 501 D N -0.942 119.465 120.400 0.012 0.000 2.228 501 D HA -0.249 4.211 4.640 -0.301 0.000 0.203 501 D C 2.070 178.376 176.300 0.010 0.000 0.988 501 D CA 1.157 55.146 54.000 -0.018 0.000 0.864 501 D CB 0.197 40.976 40.800 -0.035 0.000 0.928 501 D HN 0.343 nan 8.370 nan 0.000 0.469 502 K N 0.219 120.642 120.400 0.038 0.000 1.975 502 K HA -0.014 4.125 4.320 -0.301 0.000 0.210 502 K C 2.335 178.981 176.600 0.077 0.000 1.041 502 K CA 1.209 57.526 56.287 0.050 0.000 0.942 502 K CB -0.545 31.988 32.500 0.055 0.000 0.729 502 K HN 0.062 nan 8.250 nan 0.000 0.439 503 M N 0.648 120.329 119.600 0.136 0.000 2.192 503 M HA -0.169 4.131 4.480 -0.301 0.000 0.259 503 M C 1.691 178.062 176.300 0.118 0.000 1.071 503 M CA 1.460 56.902 55.300 0.236 0.000 1.082 503 M CB -0.449 32.435 32.600 0.475 0.000 1.373 503 M HN 0.072 nan 8.290 nan 0.000 0.408 504 L N -0.324 120.907 121.223 0.014 0.000 2.610 504 L HA -0.095 4.065 4.340 -0.301 0.000 0.232 504 L C 2.104 178.948 176.870 -0.043 0.000 1.149 504 L CA 0.443 55.225 54.840 -0.097 0.000 0.872 504 L CB -0.458 41.552 42.059 -0.082 0.000 0.992 504 L HN 0.441 nan 8.230 nan 0.000 0.447 505 Q N -1.105 118.697 119.800 0.003 0.000 2.392 505 Q HA -0.040 4.120 4.340 -0.301 0.000 0.219 505 Q C 0.893 176.911 176.000 0.031 0.000 0.895 505 Q CA 0.253 56.064 55.803 0.014 0.000 0.929 505 Q CB 0.489 29.239 28.738 0.020 0.000 1.077 505 Q HN 0.292 nan 8.270 nan 0.000 0.532 506 D N 0.727 121.156 120.400 0.049 0.000 2.370 506 D HA 0.082 4.541 4.640 -0.301 0.000 0.230 506 D C -0.980 175.362 176.300 0.069 0.000 1.143 506 D CA 0.104 54.145 54.000 0.068 0.000 0.834 506 D CB 0.559 41.415 40.800 0.093 0.000 0.944 506 D HN -0.101 nan 8.370 nan 0.000 0.504 507 V N 0.808 120.741 119.914 0.030 0.000 2.888 507 V HA 0.188 4.128 4.120 -0.301 0.000 0.309 507 V C -0.889 175.202 176.094 -0.005 0.000 1.114 507 V CA -0.722 61.587 62.300 0.016 0.000 0.940 507 V CB 2.318 34.111 31.823 -0.051 0.000 1.021 507 V HN -0.085 nan 8.190 nan 0.000 0.426 508 Q N 5.799 125.597 119.800 -0.003 0.000 2.815 508 Q HA 0.294 4.453 4.340 -0.301 0.000 0.235 508 Q C -0.357 175.601 176.000 -0.071 0.000 1.354 508 Q CA -0.193 55.578 55.803 -0.055 0.000 0.953 508 Q CB 0.302 28.971 28.738 -0.114 0.000 1.613 508 Q HN 0.525 nan 8.270 nan 0.000 0.572 509 M N 3.320 122.880 119.600 -0.067 0.000 2.238 509 M HA 0.253 4.553 4.480 -0.301 0.000 0.347 509 M C -1.833 174.405 176.300 -0.104 0.000 1.173 509 M CA -2.193 53.052 55.300 -0.091 0.000 1.147 509 M CB -0.220 32.337 32.600 -0.071 0.000 1.547 509 M HN 0.272 nan 8.290 nan 0.000 0.455 510 P HA 0.194 nan 4.420 nan 0.000 0.277 510 P C -0.690 176.533 177.300 -0.128 0.000 1.271 510 P CA -0.422 62.588 63.100 -0.151 0.000 0.795 510 P CB 0.836 32.422 31.700 -0.190 0.000 1.101 511 S N -0.647 114.960 115.700 -0.155 0.000 2.549 511 S HA 0.400 4.690 4.470 -0.301 0.000 0.297 511 S C -0.486 174.016 174.600 -0.163 0.000 1.115 511 S CA -0.716 57.405 58.200 -0.132 0.000 1.059 511 S CB 0.477 63.599 63.200 -0.130 0.000 1.046 511 S HN 0.461 nan 8.310 nan 0.000 0.506 512 K N 2.947 123.281 120.400 -0.111 0.000 2.394 512 K HA 0.376 4.516 4.320 -0.301 0.000 0.260 512 K C -1.001 175.545 176.600 -0.090 0.000 0.967 512 K CA -0.579 55.645 56.287 -0.105 0.000 0.855 512 K CB 0.791 33.254 32.500 -0.061 0.000 1.101 512 K HN 0.665 nan 8.250 nan 0.000 0.433 513 K N 5.173 125.498 120.400 -0.125 0.000 2.244 513 K HA 0.348 4.488 4.320 -0.301 0.000 0.260 513 K C -1.471 175.050 176.600 -0.130 0.000 0.951 513 K CA -0.744 55.476 56.287 -0.112 0.000 0.826 513 K CB 0.991 33.407 32.500 -0.141 0.000 1.108 513 K HN 0.411 nan 8.250 nan 0.000 0.433 514 L N 3.477 124.650 121.223 -0.084 0.000 2.346 514 L HA 0.480 4.640 4.340 -0.301 0.000 0.276 514 L C -0.467 176.329 176.870 -0.123 0.000 1.006 514 L CA 0.047 54.843 54.840 -0.074 0.000 0.817 514 L CB 1.744 43.882 42.059 0.131 0.000 1.272 514 L HN 0.886 nan 8.230 nan 0.000 0.421 515 D N 1.236 121.400 120.400 -0.393 0.000 3.236 515 D HA 0.668 5.127 4.640 -0.301 0.000 0.325 515 D C -1.653 174.435 176.300 -0.353 0.000 1.352 515 D CA -0.118 53.677 54.000 -0.341 0.000 0.979 515 D CB 1.876 42.561 40.800 -0.192 0.000 1.410 515 D HN 0.136 nan 8.370 nan 0.000 0.588 516 V N 0.634 120.508 119.914 -0.067 0.000 3.114 516 V HA 0.679 4.619 4.120 -0.301 0.000 0.308 516 V C -0.547 175.670 176.094 0.204 0.000 1.168 516 V CA -0.740 61.528 62.300 -0.054 0.000 1.015 516 V CB 2.161 33.653 31.823 -0.551 0.000 1.050 516 V HN 0.597 nan 8.190 nan 0.000 0.433 517 I N -0.288 120.378 120.570 0.160 0.000 3.006 517 I HA 0.716 4.705 4.170 -0.301 0.000 0.306 517 I C -1.404 174.750 176.117 0.062 0.000 1.250 517 I CA -0.847 60.485 61.300 0.053 0.000 0.996 517 I CB 2.770 40.715 38.000 -0.092 0.000 1.261 517 I HN 0.483 nan 8.210 nan 0.000 0.442 518 N N 3.138 121.837 118.700 -0.001 0.000 2.405 518 N HA 0.806 5.365 4.740 -0.301 0.000 0.299 518 N C -1.442 174.058 175.510 -0.016 0.000 1.075 518 N CA -0.408 52.643 53.050 0.003 0.000 0.884 518 N CB 2.161 40.626 38.487 -0.037 0.000 1.194 518 N HN 0.530 nan 8.380 nan 0.000 0.491 519 L N 1.565 122.799 121.223 0.018 0.000 2.436 519 L HA 0.319 4.479 4.340 -0.301 0.000 0.268 519 L C -0.320 176.290 176.870 -0.433 0.000 0.974 519 L CA -0.776 53.873 54.840 -0.318 0.000 0.826 519 L CB 1.402 43.216 42.059 -0.409 0.000 1.291 519 L HN 0.848 nan 8.230 nan 0.000 0.406 520 H N 1.344 120.479 119.070 0.109 0.000 2.806 520 H HA -0.243 4.133 4.556 -0.301 0.000 0.303 520 H C 1.123 176.486 175.328 0.059 0.000 1.089 520 H CA 0.831 56.917 56.048 0.064 0.000 1.165 520 H CB -1.483 28.303 29.762 0.040 0.000 1.350 520 H HN 1.055 nan 8.280 nan 0.000 0.373 521 G N -2.089 106.738 108.800 0.046 0.000 2.213 521 G HA2 -0.267 3.513 3.960 -0.301 0.000 0.226 521 G HA3 -0.267 3.513 3.960 -0.301 0.000 0.226 521 G C 0.319 175.208 174.900 -0.017 0.000 0.992 521 G CA 0.109 45.223 45.100 0.023 0.000 0.632 521 G HN 0.655 nan 8.290 nan 0.000 0.511 522 T N 1.140 115.671 114.554 -0.039 0.000 2.895 522 T HA 0.562 4.732 4.350 -0.301 0.000 0.283 522 T C 0.166 174.615 174.700 -0.418 0.000 1.014 522 T CA -0.067 61.885 62.100 -0.247 0.000 1.037 522 T CB 1.662 70.312 68.868 -0.363 0.000 1.006 522 T HN 0.653 nan 8.240 nan 0.000 0.468 523 K N 1.988 122.144 120.400 -0.407 0.000 2.258 523 K HA 0.528 4.668 4.320 -0.301 0.000 0.284 523 K C -1.415 174.933 176.600 -0.420 0.000 1.051 523 K CA -0.384 55.727 56.287 -0.292 0.000 0.923 523 K CB 0.403 32.792 32.500 -0.185 0.000 1.046 523 K HN 0.371 nan 8.250 nan 0.000 0.474 524 F N 2.470 122.534 119.950 0.190 0.000 2.507 524 F HA 0.373 4.720 4.527 -0.300 0.000 0.325 524 F C -0.490 175.578 175.800 0.447 0.000 1.116 524 F CA -0.867 57.351 58.000 0.364 0.000 0.930 524 F CB 1.031 40.335 39.000 0.506 0.000 1.146 524 F HN 0.515 nan 8.300 nan 0.000 0.447 525 W N 3.186 124.790 121.300 0.507 0.000 2.150 525 W HA 0.414 4.894 4.660 -0.301 0.000 0.341 525 W C -0.494 176.424 176.519 0.665 0.000 1.276 525 W CA -0.240 57.381 57.345 0.461 0.000 1.238 525 W CB 0.239 29.856 29.460 0.262 0.000 1.128 525 W HN 0.458 nan 8.180 nan 0.000 0.581 526 Y N -0.542 120.149 120.300 0.651 0.000 2.638 526 Y HA 0.591 4.960 4.550 -0.301 0.000 0.335 526 Y C -0.972 175.163 175.900 0.393 0.000 1.155 526 Y CA -1.780 56.688 58.100 0.613 0.000 1.046 526 Y CB 1.040 39.954 38.460 0.756 0.000 1.303 526 Y HN 0.570 nan 8.280 nan 0.000 0.460 527 Q N 2.631 122.597 119.800 0.277 0.000 2.451 527 Q HA 0.809 4.968 4.340 -0.301 0.000 0.281 527 Q C -1.764 174.280 176.000 0.072 0.000 1.099 527 Q CA -1.216 54.613 55.803 0.044 0.000 0.806 527 Q CB 3.438 32.225 28.738 0.082 0.000 1.419 527 Q HN 0.852 nan 8.270 nan 0.000 0.427 528 M N 1.766 121.340 119.600 -0.043 0.000 2.433 528 M HA 0.449 4.748 4.480 -0.301 0.000 0.290 528 M C -1.504 174.706 176.300 -0.149 0.000 1.173 528 M CA -0.946 54.301 55.300 -0.088 0.000 0.905 528 M CB 2.459 34.977 32.600 -0.137 0.000 1.692 528 M HN 0.632 nan 8.290 nan 0.000 0.462 529 I N 4.709 125.182 120.570 -0.162 0.000 2.371 529 I HA 0.393 4.382 4.170 -0.301 0.000 0.282 529 I C -0.414 175.522 176.117 -0.302 0.000 1.031 529 I CA -0.415 60.766 61.300 -0.199 0.000 1.180 529 I CB 0.355 38.264 38.000 -0.152 0.000 1.336 529 I HN 0.611 nan 8.210 nan 0.000 0.467 530 L N 7.626 128.594 121.223 -0.425 0.000 2.371 530 L HA 0.429 4.589 4.340 -0.301 0.000 0.272 530 L C -2.097 174.506 176.870 -0.444 0.000 1.124 530 L CA -1.610 52.833 54.840 -0.661 0.000 0.816 530 L CB 0.400 41.816 42.059 -1.073 0.000 1.129 530 L HN 0.223 nan 8.230 nan 0.000 0.448 531 P HA 0.157 nan 4.420 nan 0.000 0.273 531 P C -2.517 174.698 177.300 -0.142 0.000 1.250 531 P CA -0.925 62.035 63.100 -0.233 0.000 0.793 531 P CB -0.014 31.579 31.700 -0.179 0.000 1.011 532 P HA 0.126 nan 4.420 nan 0.000 0.274 532 P C -0.618 176.662 177.300 -0.033 0.000 1.246 532 P CA 0.001 63.007 63.100 -0.157 0.000 0.795 532 P CB -0.120 31.369 31.700 -0.352 0.000 1.006 533 H N -2.365 116.745 119.070 0.065 0.000 2.741 533 H HA -0.224 4.152 4.556 -0.300 0.000 0.305 533 H C -0.289 175.114 175.328 0.124 0.000 1.169 533 H CA -0.577 55.516 56.048 0.074 0.000 1.144 533 H CB -1.943 27.857 29.762 0.062 0.000 1.397 533 H HN 0.300 nan 8.280 nan 0.000 0.409 534 F N 3.462 123.439 119.950 0.045 0.000 2.518 534 F HA 0.073 4.419 4.527 -0.300 0.000 0.375 534 F C 0.230 176.053 175.800 0.039 0.000 1.097 534 F CA -0.864 57.111 58.000 -0.042 0.000 1.108 534 F CB 0.192 39.060 39.000 -0.219 0.000 1.078 534 F HN 0.101 nan 8.300 nan 0.000 0.564 535 D N 5.505 125.734 120.400 -0.285 0.000 2.411 535 D HA 0.161 4.621 4.640 -0.301 0.000 0.225 535 D C 0.724 176.664 176.300 -0.600 0.000 1.156 535 D CA -0.637 53.161 54.000 -0.336 0.000 0.874 535 D CB 0.956 41.695 40.800 -0.102 0.000 1.034 535 D HN 0.419 nan 8.370 nan 0.000 0.502 536 K N 0.666 120.637 120.400 -0.715 0.000 2.304 536 K HA -0.295 3.845 4.320 -0.301 0.000 0.204 536 K C 1.620 178.150 176.600 -0.116 0.000 1.044 536 K CA 1.367 57.372 56.287 -0.469 0.000 0.932 536 K CB -0.666 31.730 32.500 -0.173 0.000 0.735 536 K HN 0.311 nan 8.250 nan 0.000 0.468 537 S N 0.520 116.148 115.700 -0.120 0.000 2.343 537 S HA -0.144 4.146 4.470 -0.301 0.000 0.212 537 S C 0.995 175.576 174.600 -0.032 0.000 1.033 537 S CA 0.473 58.643 58.200 -0.050 0.000 1.004 537 S CB -0.274 62.888 63.200 -0.063 0.000 0.977 537 S HN 0.495 nan 8.310 nan 0.000 0.427 538 K N 1.192 121.542 120.400 -0.084 0.000 2.323 538 K HA -0.058 4.082 4.320 -0.301 0.000 0.259 538 K C -0.702 175.847 176.600 -0.085 0.000 0.993 538 K CA 0.718 56.915 56.287 -0.151 0.000 0.866 538 K CB 0.143 32.449 32.500 -0.324 0.000 0.997 538 K HN 0.254 nan 8.250 nan 0.000 0.524 539 K N 2.016 122.312 120.400 -0.173 0.000 2.358 539 K HA 0.236 4.375 4.320 -0.301 0.000 0.260 539 K C -1.459 175.056 176.600 -0.142 0.000 0.956 539 K CA -0.573 55.687 56.287 -0.045 0.000 0.834 539 K CB 1.119 33.590 32.500 -0.048 0.000 1.102 539 K HN 0.344 nan 8.250 nan 0.000 0.431 540 Y N 2.466 122.816 120.300 0.083 0.000 2.487 540 Y HA 0.321 4.691 4.550 -0.301 0.000 0.337 540 Y C -2.036 173.824 175.900 -0.065 0.000 1.076 540 Y CA -2.613 55.507 58.100 0.033 0.000 1.115 540 Y CB 1.098 39.634 38.460 0.127 0.000 1.235 540 Y HN 0.454 nan 8.280 nan 0.000 0.468 541 P HA 0.126 nan 4.420 nan 0.000 0.275 541 P C -0.914 176.304 177.300 -0.138 0.000 1.227 541 P CA -0.043 62.813 63.100 -0.406 0.000 0.781 541 P CB 1.465 32.529 31.700 -1.060 0.000 0.906 542 L N 4.088 125.284 121.223 -0.045 0.000 2.317 542 L HA 0.501 4.660 4.340 -0.301 0.000 0.281 542 L C -0.404 176.687 176.870 0.368 0.000 1.024 542 L CA -1.107 53.827 54.840 0.157 0.000 0.810 542 L CB 1.326 43.476 42.059 0.151 0.000 1.240 542 L HN 0.311 nan 8.230 nan 0.000 0.427 543 L N 5.864 127.310 121.223 0.371 0.000 2.349 543 L HA 0.474 4.633 4.340 -0.301 0.000 0.278 543 L C -0.852 176.273 176.870 0.425 0.000 0.996 543 L CA -0.736 54.373 54.840 0.449 0.000 0.825 543 L CB 1.736 44.004 42.059 0.349 0.000 1.243 543 L HN 0.486 nan 8.230 nan 0.000 0.412 544 I N 3.785 124.660 120.570 0.508 0.000 2.396 544 I HA 0.302 4.292 4.170 -0.301 0.000 0.292 544 I C 0.124 176.527 176.117 0.476 0.000 0.999 544 I CA -0.172 61.418 61.300 0.483 0.000 1.310 544 I CB 1.477 39.806 38.000 0.550 0.000 1.404 544 I HN 0.672 nan 8.210 nan 0.000 0.496 545 E N 5.378 125.827 120.200 0.414 0.000 2.129 545 E HA 0.540 4.710 4.350 -0.301 0.000 0.268 545 E C -1.665 175.054 176.600 0.199 0.000 0.900 545 E CA -0.424 56.176 56.400 0.334 0.000 0.755 545 E CB 1.932 31.894 29.700 0.437 0.000 1.117 545 E HN 0.436 nan 8.360 nan 0.000 0.410 546 V N 5.149 125.105 119.914 0.071 0.000 3.001 546 V HA 0.433 4.372 4.120 -0.301 0.000 0.314 546 V C -1.216 174.960 176.094 0.137 0.000 1.099 546 V CA -0.296 62.083 62.300 0.131 0.000 0.989 546 V CB 1.751 33.660 31.823 0.143 0.000 1.040 546 V HN 0.920 nan 8.190 nan 0.000 0.434 547 Y N 3.978 124.332 120.300 0.090 0.000 3.208 547 Y HA 0.566 4.935 4.550 -0.301 0.000 0.205 547 Y C 1.384 177.377 175.900 0.156 0.000 0.923 547 Y CA 1.169 59.345 58.100 0.126 0.000 1.596 547 Y CB 0.096 38.608 38.460 0.086 0.000 1.478 547 Y HN 1.045 nan 8.280 nan 0.000 0.409 548 A N 1.172 124.155 122.820 0.271 0.000 2.822 548 A HA -0.114 4.026 4.320 -0.301 0.000 0.287 548 A C 0.722 178.177 177.584 -0.214 0.000 1.479 548 A CA 0.960 53.054 52.037 0.095 0.000 0.779 548 A CB -2.267 16.808 19.000 0.126 0.000 1.022 548 A HN 0.936 nan 8.150 nan 0.000 0.532 549 G N -0.605 108.003 108.800 -0.321 0.000 2.528 549 G HA2 0.604 4.384 3.960 -0.301 0.000 0.289 549 G HA3 0.604 4.384 3.960 -0.301 0.000 0.289 549 G C -2.081 172.567 174.900 -0.419 0.000 1.192 549 G CA -1.041 43.437 45.100 -1.036 0.000 0.921 549 G HN 0.377 nan 8.290 nan 0.000 0.512 550 P HA 0.054 nan 4.420 nan 0.000 0.267 550 P C 0.614 177.723 177.300 -0.318 0.000 1.205 550 P CA 0.212 63.014 63.100 -0.495 0.000 0.765 550 P CB 0.958 31.946 31.700 -1.187 0.000 0.828 551 C N 2.230 121.446 119.300 -0.140 0.000 4.392 551 C HA -0.155 4.125 4.460 -0.301 0.000 0.280 551 C C 1.124 176.163 174.990 0.082 0.000 1.381 551 C CA 1.213 60.158 59.018 -0.121 0.000 1.871 551 C CB -2.635 24.907 27.740 -0.331 0.000 1.323 551 C HN 0.825 nan 8.230 nan 0.000 0.772 552 S N -0.012 115.778 115.700 0.150 0.000 2.614 552 S HA 0.540 4.830 4.470 -0.301 0.000 0.265 552 S C -0.555 174.193 174.600 0.246 0.000 1.303 552 S CA 0.309 58.656 58.200 0.244 0.000 1.000 552 S CB 1.544 64.916 63.200 0.286 0.000 0.935 552 S HN 0.850 nan 8.310 nan 0.000 0.551 553 Q N -0.014 119.917 119.800 0.217 0.000 2.483 553 Q HA 0.335 4.495 4.340 -0.301 0.000 0.245 553 Q C -0.460 175.605 176.000 0.109 0.000 0.902 553 Q CA -0.640 55.281 55.803 0.197 0.000 0.767 553 Q CB 0.942 29.821 28.738 0.236 0.000 1.341 553 Q HN 0.626 nan 8.270 nan 0.000 0.453 554 K N 1.519 121.995 120.400 0.126 0.000 2.323 554 K HA 0.193 4.333 4.320 -0.301 0.000 0.197 554 K C -0.008 176.668 176.600 0.127 0.000 1.043 554 K CA 0.447 56.806 56.287 0.120 0.000 0.997 554 K CB 0.892 33.495 32.500 0.173 0.000 0.807 554 K HN 0.398 nan 8.250 nan 0.000 0.497 555 V N 4.219 124.225 119.914 0.153 0.000 2.304 555 V HA 0.128 4.068 4.120 -0.301 0.000 0.269 555 V C -0.548 175.608 176.094 0.103 0.000 1.036 555 V CA -0.607 61.792 62.300 0.166 0.000 0.840 555 V CB 0.750 32.737 31.823 0.272 0.000 1.036 555 V HN 0.297 nan 8.190 nan 0.000 0.466 556 D N 2.367 122.811 120.400 0.072 0.000 2.825 556 D HA 0.339 4.799 4.640 -0.301 0.000 0.327 556 D C 0.299 176.638 176.300 0.064 0.000 1.277 556 D CA -0.139 53.904 54.000 0.072 0.000 0.950 556 D CB 1.482 42.347 40.800 0.109 0.000 1.438 556 D HN 0.302 nan 8.370 nan 0.000 0.526 557 T N -1.967 112.664 114.554 0.130 0.000 3.258 557 T HA 0.448 4.617 4.350 -0.301 0.000 0.259 557 T C -0.107 174.626 174.700 0.056 0.000 0.963 557 T CA -0.479 61.685 62.100 0.107 0.000 0.919 557 T CB -0.846 68.110 68.868 0.146 0.000 1.110 557 T HN 0.272 nan 8.240 nan 0.000 0.550 558 V N 2.360 122.208 119.914 -0.110 0.000 2.509 558 V HA 0.436 4.376 4.120 -0.301 0.000 0.284 558 V C -0.022 176.064 176.094 -0.015 0.000 1.047 558 V CA -1.147 61.043 62.300 -0.184 0.000 0.952 558 V CB 0.725 32.265 31.823 -0.472 0.000 0.988 558 V HN 0.654 nan 8.190 nan 0.000 0.469 559 F N 6.360 126.277 119.950 -0.055 0.000 2.445 559 F HA 0.489 4.836 4.527 -0.300 0.000 0.359 559 F C 0.544 176.331 175.800 -0.021 0.000 1.101 559 F CA -0.201 57.781 58.000 -0.031 0.000 1.177 559 F CB 0.188 39.184 39.000 -0.006 0.000 1.110 559 F HN 0.404 nan 8.300 nan 0.000 0.522 560 R N 7.071 127.123 120.500 -0.746 0.000 2.483 560 R HA 0.351 4.510 4.340 -0.301 0.000 0.303 560 R C -1.738 174.164 176.300 -0.663 0.000 0.987 560 R CA -1.247 54.521 56.100 -0.553 0.000 0.881 560 R CB 1.690 31.834 30.300 -0.260 0.000 1.177 560 R HN 0.465 nan 8.270 nan 0.000 0.451 561 L N 3.230 124.178 121.223 -0.459 0.000 2.325 561 L HA 0.239 4.399 4.340 -0.301 0.000 0.284 561 L C 0.486 177.339 176.870 -0.030 0.000 1.089 561 L CA 0.532 55.208 54.840 -0.274 0.000 0.836 561 L CB 0.493 42.589 42.059 0.062 0.000 1.184 561 L HN 0.848 nan 8.230 nan 0.000 0.444 562 S N 2.909 118.506 115.700 -0.172 0.000 2.998 562 S HA 0.299 4.588 4.470 -0.301 0.000 0.323 562 S C 0.393 174.579 174.600 -0.690 0.000 1.141 562 S CA -0.631 57.374 58.200 -0.325 0.000 0.873 562 S CB 0.333 63.416 63.200 -0.196 0.000 1.315 562 S HN 0.496 nan 8.310 nan 0.000 0.637 563 W N 1.304 121.933 121.300 -1.118 0.000 2.418 563 W HA 0.296 4.779 4.660 -0.295 0.000 0.292 563 W C 2.418 178.838 176.519 -0.164 0.000 1.213 563 W CA 1.796 58.677 57.345 -0.773 0.000 1.283 563 W CB -0.943 28.164 29.460 -0.588 0.000 1.119 563 W HN 0.808 nan 8.180 nan 0.000 0.542 564 A N -0.487 122.252 122.820 -0.135 0.000 1.930 564 A HA -0.160 3.980 4.320 -0.301 0.000 0.217 564 A C 1.916 179.374 177.584 -0.210 0.000 1.175 564 A CA 2.254 54.171 52.037 -0.200 0.000 0.627 564 A CB -1.247 17.726 19.000 -0.045 0.000 0.815 564 A HN 0.247 nan 8.150 nan 0.000 0.443 565 T N -1.349 113.082 114.554 -0.205 0.000 2.803 565 T HA -0.183 3.986 4.350 -0.301 0.000 0.269 565 T C 1.732 176.373 174.700 -0.098 0.000 1.052 565 T CA 1.733 63.675 62.100 -0.264 0.000 1.136 565 T CB -0.394 68.148 68.868 -0.544 0.000 0.864 565 T HN 0.707 nan 8.240 nan 0.000 0.467 566 Y N 1.460 121.739 120.300 -0.035 0.000 2.243 566 Y HA 0.133 4.503 4.550 -0.300 0.000 0.293 566 Y C 1.899 177.748 175.900 -0.085 0.000 1.124 566 Y CA 0.762 58.922 58.100 0.099 0.000 1.159 566 Y CB -0.491 38.061 38.460 0.154 0.000 1.008 566 Y HN 0.085 nan 8.280 nan 0.000 0.527 567 L N 0.150 121.049 121.223 -0.541 0.000 2.083 567 L HA -0.169 3.990 4.340 -0.301 0.000 0.209 567 L C 2.749 179.373 176.870 -0.410 0.000 1.083 567 L CA 1.266 55.720 54.840 -0.643 0.000 0.752 567 L CB -0.873 40.842 42.059 -0.575 0.000 0.899 567 L HN 0.418 nan 8.230 nan 0.000 0.433 568 A N -1.149 121.492 122.820 -0.298 0.000 1.874 568 A HA -0.161 3.979 4.320 -0.301 0.000 0.214 568 A C 2.510 179.974 177.584 -0.201 0.000 1.189 568 A CA 1.555 53.457 52.037 -0.226 0.000 0.615 568 A CB -0.583 18.285 19.000 -0.221 0.000 0.830 568 A HN 0.321 nan 8.150 nan 0.000 0.443 569 S N -0.892 114.698 115.700 -0.184 0.000 2.356 569 S HA -0.131 4.158 4.470 -0.301 0.000 0.223 569 S C 1.911 176.440 174.600 -0.118 0.000 1.032 569 S CA 2.400 60.529 58.200 -0.120 0.000 1.005 569 S CB -0.387 62.802 63.200 -0.017 0.000 0.867 569 S HN 0.571 nan 8.310 nan 0.000 0.449 570 T N 0.766 115.199 114.554 -0.202 0.000 3.039 570 T HA 0.227 4.396 4.350 -0.301 0.000 0.250 570 T C 1.263 175.840 174.700 -0.206 0.000 1.052 570 T CA 0.333 62.325 62.100 -0.180 0.000 1.125 570 T CB -0.029 68.743 68.868 -0.160 0.000 0.908 570 T HN 0.262 nan 8.240 nan 0.000 0.473 571 E N 1.298 121.295 120.200 -0.339 0.000 2.474 571 E HA 0.185 4.355 4.350 -0.301 0.000 0.195 571 E C -0.057 176.506 176.600 -0.062 0.000 1.039 571 E CA -0.137 56.149 56.400 -0.190 0.000 0.881 571 E CB -0.330 29.218 29.700 -0.253 0.000 0.970 571 E HN 0.366 nan 8.360 nan 0.000 0.486 572 N N 0.702 119.366 118.700 -0.058 0.000 2.705 572 N HA -0.193 4.367 4.740 -0.301 0.000 0.255 572 N C -1.034 174.551 175.510 0.125 0.000 1.008 572 N CA 0.495 53.587 53.050 0.070 0.000 0.742 572 N CB -1.104 37.509 38.487 0.210 0.000 0.906 572 N HN 0.243 nan 8.380 nan 0.000 0.541 573 I N 0.392 120.960 120.570 -0.003 0.000 2.441 573 I HA 0.386 4.375 4.170 -0.301 0.000 0.295 573 I C 0.626 176.713 176.117 -0.049 0.000 0.994 573 I CA -0.934 60.390 61.300 0.040 0.000 1.144 573 I CB 1.495 39.541 38.000 0.077 0.000 1.314 573 I HN -0.003 nan 8.210 nan 0.000 0.445 574 I N 5.811 126.364 120.570 -0.027 0.000 2.474 574 I HA 0.225 4.214 4.170 -0.301 0.000 0.287 574 I C -0.465 175.648 176.117 -0.007 0.000 1.048 574 I CA -0.449 60.789 61.300 -0.103 0.000 1.383 574 I CB 1.409 39.362 38.000 -0.077 0.000 1.412 574 I HN 0.200 nan 8.210 nan 0.000 0.531 575 V N 6.384 126.277 119.914 -0.035 0.000 2.380 575 V HA 0.546 4.486 4.120 -0.301 0.000 0.286 575 V C 0.164 176.298 176.094 0.067 0.000 1.015 575 V CA -0.471 61.863 62.300 0.057 0.000 0.834 575 V CB 1.249 33.092 31.823 0.033 0.000 1.009 575 V HN 0.840 nan 8.190 nan 0.000 0.428 576 A N 3.810 126.703 122.820 0.122 0.000 2.311 576 A HA 0.959 5.098 4.320 -0.301 0.000 0.334 576 A C -0.042 177.711 177.584 0.282 0.000 1.139 576 A CA -0.446 51.665 52.037 0.123 0.000 0.830 576 A CB 1.643 20.598 19.000 -0.075 0.000 1.234 576 A HN 0.661 nan 8.150 nan 0.000 0.483 577 S N -0.583 115.321 115.700 0.340 0.000 2.595 577 S HA 0.805 5.095 4.470 -0.301 0.000 0.281 577 S C -1.605 173.365 174.600 0.616 0.000 1.117 577 S CA -0.276 58.173 58.200 0.415 0.000 0.873 577 S CB 1.419 64.798 63.200 0.298 0.000 1.108 577 S HN 0.901 nan 8.310 nan 0.000 0.477 578 F N 1.734 121.916 119.950 0.387 0.000 2.604 578 F HA 0.435 4.781 4.527 -0.301 0.000 0.316 578 F C -1.925 174.059 175.800 0.307 0.000 1.136 578 F CA -0.865 57.383 58.000 0.412 0.000 0.989 578 F CB 1.457 40.700 39.000 0.405 0.000 1.258 578 F HN 0.400 nan 8.300 nan 0.000 0.451 579 D N 4.625 124.761 120.400 -0.441 0.000 2.427 579 D HA 0.457 4.917 4.640 -0.301 0.000 0.226 579 D C 0.308 176.086 176.300 -0.870 0.000 1.076 579 D CA 0.120 53.886 54.000 -0.390 0.000 0.849 579 D CB 1.688 42.500 40.800 0.019 0.000 1.052 579 D HN 0.791 nan 8.370 nan 0.000 0.515 580 G N 1.511 109.762 108.800 -0.915 0.000 3.019 580 G HA2 0.292 4.072 3.960 -0.301 0.000 0.152 580 G HA3 0.292 4.072 3.960 -0.301 0.000 0.152 580 G C 0.119 174.737 174.900 -0.471 0.000 1.320 580 G CA -0.643 43.859 45.100 -0.996 0.000 1.013 580 G HN 0.280 nan 8.290 nan 0.000 0.593 581 R N -0.534 119.753 120.500 -0.356 0.000 2.623 581 R HA 0.385 4.545 4.340 -0.301 0.000 0.271 581 R C 1.211 177.540 176.300 0.049 0.000 1.043 581 R CA 1.447 57.538 56.100 -0.015 0.000 1.083 581 R CB 0.588 30.933 30.300 0.075 0.000 0.974 581 R HN 1.021 nan 8.270 nan 0.000 0.436 582 G N 0.925 109.781 108.800 0.094 0.000 2.308 582 G HA2 -0.336 3.444 3.960 -0.301 0.000 0.221 582 G HA3 -0.336 3.444 3.960 -0.301 0.000 0.221 582 G C 0.210 175.125 174.900 0.026 0.000 1.032 582 G CA 0.129 45.269 45.100 0.066 0.000 0.623 582 G HN 0.732 nan 8.290 nan 0.000 0.506 583 S N 0.512 116.230 115.700 0.031 0.000 2.606 583 S HA 0.674 4.964 4.470 -0.301 0.000 0.257 583 S C 0.797 175.419 174.600 0.037 0.000 1.327 583 S CA 0.720 58.949 58.200 0.048 0.000 0.984 583 S CB 1.620 64.864 63.200 0.074 0.000 0.941 583 S HN 1.827 nan 8.310 nan 0.000 0.576 584 G N -1.707 107.109 108.800 0.026 0.000 3.108 584 G HA2 0.532 4.311 3.960 -0.301 0.000 0.268 584 G HA3 0.532 4.311 3.960 -0.301 0.000 0.268 584 G C -1.086 173.786 174.900 -0.047 0.000 1.361 584 G CA -0.941 44.072 45.100 -0.145 0.000 1.047 584 G HN 0.889 nan 8.290 nan 0.000 0.540 585 Y N -2.018 118.309 120.300 0.045 0.000 4.841 585 Y HA -0.215 4.154 4.550 -0.301 0.000 0.242 585 Y C 1.450 177.395 175.900 0.074 0.000 1.002 585 Y CA 1.196 59.330 58.100 0.056 0.000 2.011 585 Y CB -1.931 36.572 38.460 0.072 0.000 1.554 585 Y HN 0.501 nan 8.280 nan 0.000 0.618 586 Q N 0.018 119.879 119.800 0.102 0.000 2.084 586 Q HA 0.514 4.674 4.340 -0.301 0.000 0.230 586 Q C 0.832 176.796 176.000 -0.061 0.000 0.806 586 Q CA 0.227 56.118 55.803 0.147 0.000 1.083 586 Q CB 1.631 30.477 28.738 0.179 0.000 1.208 586 Q HN 0.543 nan 8.270 nan 0.000 0.462 587 G N 0.688 109.299 108.800 -0.316 0.000 2.675 587 G HA2 -0.175 3.605 3.960 -0.301 0.000 0.686 587 G HA3 -0.175 3.605 3.960 -0.301 0.000 0.686 587 G C -0.426 174.146 174.900 -0.547 0.000 1.215 587 G CA -0.603 44.029 45.100 -0.780 0.000 0.777 587 G HN 0.126 nan 8.290 nan 0.000 0.638 588 D N 0.098 120.123 120.400 -0.624 0.000 2.263 588 D HA -0.074 4.386 4.640 -0.301 0.000 0.208 588 D C 2.182 178.184 176.300 -0.497 0.000 0.971 588 D CA 1.413 54.989 54.000 -0.707 0.000 0.867 588 D CB 0.117 40.456 40.800 -0.768 0.000 0.929 588 D HN 0.621 nan 8.370 nan 0.000 0.492 589 K N 0.695 120.895 120.400 -0.334 0.000 2.057 589 K HA -0.087 4.053 4.320 -0.301 0.000 0.206 589 K C 1.990 178.545 176.600 -0.076 0.000 1.050 589 K CA 0.807 56.996 56.287 -0.163 0.000 0.935 589 K CB 0.054 32.489 32.500 -0.109 0.000 0.715 589 K HN -0.029 nan 8.250 nan 0.000 0.439 590 I N 0.876 121.407 120.570 -0.065 0.000 2.353 590 I HA -0.221 3.769 4.170 -0.301 0.000 0.248 590 I C 2.480 178.619 176.117 0.037 0.000 1.119 590 I CA 1.239 62.583 61.300 0.073 0.000 1.417 590 I CB -0.648 37.437 38.000 0.141 0.000 1.078 590 I HN 0.434 nan 8.210 nan 0.000 0.421 591 M N 0.176 119.718 119.600 -0.097 0.000 2.098 591 M HA -0.179 4.121 4.480 -0.301 0.000 0.262 591 M C 2.004 178.327 176.300 0.038 0.000 1.072 591 M CA 1.798 57.053 55.300 -0.075 0.000 1.133 591 M CB -0.315 32.146 32.600 -0.233 0.000 1.344 591 M HN 0.220 nan 8.290 nan 0.000 0.414 592 H N -0.570 118.374 119.070 -0.210 0.000 2.553 592 H HA 0.156 4.532 4.556 -0.301 0.000 0.269 592 H C 1.776 177.090 175.328 -0.024 0.000 1.011 592 H CA 0.066 55.955 56.048 -0.264 0.000 1.150 592 H CB 0.107 29.614 29.762 -0.425 0.000 1.339 592 H HN 0.508 nan 8.280 nan 0.000 0.604 593 A N 1.456 124.378 122.820 0.171 0.000 1.978 593 A HA -0.141 3.999 4.320 -0.301 0.000 0.220 593 A C 2.106 179.906 177.584 0.360 0.000 1.170 593 A CA 1.185 53.372 52.037 0.250 0.000 0.636 593 A CB -0.612 18.525 19.000 0.228 0.000 0.810 593 A HN 0.587 nan 8.150 nan 0.000 0.448 594 I N -3.074 117.644 120.570 0.246 0.000 3.883 594 I HA 0.128 4.118 4.170 -0.301 0.000 0.326 594 I C 0.517 176.662 176.117 0.047 0.000 1.283 594 I CA -0.380 60.973 61.300 0.089 0.000 1.161 594 I CB -0.699 37.334 38.000 0.055 0.000 1.012 594 I HN 0.233 nan 8.210 nan 0.000 0.421 595 N N 3.209 122.003 118.700 0.157 0.000 2.301 595 N HA -0.127 4.433 4.740 -0.301 0.000 0.267 595 N C 0.154 175.653 175.510 -0.019 0.000 1.304 595 N CA 0.334 53.486 53.050 0.171 0.000 0.851 595 N CB 0.259 38.792 38.487 0.076 0.000 1.070 595 N HN 0.399 nan 8.380 nan 0.000 0.483 596 R N 0.440 120.913 120.500 -0.046 0.000 4.000 596 R HA -0.201 3.958 4.340 -0.301 0.000 0.362 596 R C -0.180 175.953 176.300 -0.279 0.000 1.183 596 R CA 1.579 57.584 56.100 -0.158 0.000 1.011 596 R CB -1.465 28.744 30.300 -0.151 0.000 1.501 596 R HN 0.789 nan 8.270 nan 0.000 0.553 597 R N 0.029 120.381 120.500 -0.247 0.000 2.635 597 R HA 0.275 4.435 4.340 -0.301 0.000 0.393 597 R C -0.250 175.970 176.300 -0.134 0.000 1.070 597 R CA -0.709 55.258 56.100 -0.222 0.000 1.118 597 R CB 0.262 30.337 30.300 -0.376 0.000 1.341 597 R HN -0.026 nan 8.270 nan 0.000 0.628 598 L N 1.301 122.433 121.223 -0.152 0.000 2.593 598 L HA 0.033 4.193 4.340 -0.301 0.000 0.287 598 L C 1.168 178.161 176.870 0.206 0.000 1.243 598 L CA 1.913 56.722 54.840 -0.051 0.000 0.890 598 L CB 0.309 42.120 42.059 -0.413 0.000 1.134 598 L HN 0.868 nan 8.230 nan 0.000 0.502 599 G N 1.235 110.234 108.800 0.332 0.000 2.141 599 G HA2 -0.288 3.491 3.960 -0.301 0.000 0.231 599 G HA3 -0.288 3.491 3.960 -0.301 0.000 0.231 599 G C 0.485 175.436 174.900 0.085 0.000 0.984 599 G CA 0.530 45.790 45.100 0.266 0.000 0.660 599 G HN 0.796 nan 8.290 nan 0.000 0.525 600 T N -2.936 111.630 114.554 0.020 0.000 3.422 600 T HA 0.456 4.625 4.350 -0.301 0.000 0.192 600 T C 1.744 176.487 174.700 0.071 0.000 0.857 600 T CA 1.054 63.121 62.100 -0.055 0.000 1.400 600 T CB -0.188 68.493 68.868 -0.312 0.000 1.864 600 T HN 0.162 nan 8.240 nan 0.000 0.415 601 F N 3.563 123.542 119.950 0.050 0.000 2.154 601 F HA 0.012 4.359 4.527 -0.300 0.000 0.301 601 F C 2.809 178.631 175.800 0.037 0.000 1.087 601 F CA 1.131 59.143 58.000 0.020 0.000 1.274 601 F CB -0.959 38.038 39.000 -0.006 0.000 1.009 601 F HN 0.541 nan 8.300 nan 0.000 0.485 602 E N 0.971 121.309 120.200 0.230 0.000 2.047 602 E HA -0.143 4.027 4.350 -0.301 0.000 0.191 602 E C 2.216 178.908 176.600 0.152 0.000 0.987 602 E CA 1.720 58.216 56.400 0.161 0.000 0.799 602 E CB -1.151 28.639 29.700 0.149 0.000 0.752 602 E HN 0.278 nan 8.360 nan 0.000 0.449 603 V N 1.833 121.823 119.914 0.128 0.000 2.295 603 V HA -0.240 3.700 4.120 -0.301 0.000 0.246 603 V C 2.430 178.583 176.094 0.099 0.000 1.049 603 V CA 2.315 64.659 62.300 0.073 0.000 1.024 603 V CB -0.648 31.170 31.823 -0.008 0.000 0.648 603 V HN 0.247 nan 8.190 nan 0.000 0.447 604 E N -0.058 120.219 120.200 0.128 0.000 2.118 604 E HA -0.239 3.930 4.350 -0.301 0.000 0.195 604 E C 1.901 178.594 176.600 0.154 0.000 0.992 604 E CA 1.524 58.006 56.400 0.138 0.000 0.804 604 E CB -0.169 29.634 29.700 0.171 0.000 0.741 604 E HN 0.591 nan 8.360 nan 0.000 0.458 605 D N 0.152 120.664 120.400 0.187 0.000 2.224 605 D HA -0.101 4.358 4.640 -0.301 0.000 0.205 605 D C 1.794 178.243 176.300 0.248 0.000 0.965 605 D CA 0.642 54.775 54.000 0.221 0.000 0.852 605 D CB -0.052 40.886 40.800 0.230 0.000 0.947 605 D HN 0.094 nan 8.370 nan 0.000 0.494 606 Q N -0.044 119.905 119.800 0.248 0.000 2.369 606 Q HA 0.029 4.189 4.340 -0.301 0.000 0.206 606 Q C 2.211 178.349 176.000 0.230 0.000 0.963 606 Q CA 0.402 56.375 55.803 0.282 0.000 0.894 606 Q CB 0.395 29.269 28.738 0.227 0.000 0.965 606 Q HN 0.457 nan 8.270 nan 0.000 0.475 607 I N -0.022 120.657 120.570 0.181 0.000 2.731 607 I HA -0.120 3.870 4.170 -0.301 0.000 0.260 607 I C 2.024 178.154 176.117 0.020 0.000 1.138 607 I CA 0.374 61.798 61.300 0.206 0.000 1.461 607 I CB -0.089 38.029 38.000 0.196 0.000 1.128 607 I HN 0.042 nan 8.210 nan 0.000 0.438 608 E N 1.645 121.823 120.200 -0.036 0.000 2.051 608 E HA -0.207 3.962 4.350 -0.301 0.000 0.192 608 E C 2.360 178.739 176.600 -0.367 0.000 0.991 608 E CA 1.570 57.883 56.400 -0.144 0.000 0.799 608 E CB -0.245 29.399 29.700 -0.092 0.000 0.748 608 E HN 0.458 nan 8.360 nan 0.000 0.449 609 A N 1.129 123.611 122.820 -0.563 0.000 1.865 609 A HA -0.207 3.933 4.320 -0.301 0.000 0.217 609 A C 2.514 179.375 177.584 -1.206 0.000 1.191 609 A CA 2.450 53.789 52.037 -1.163 0.000 0.623 609 A CB -1.189 16.893 19.000 -1.530 0.000 0.826 609 A HN 0.255 nan 8.150 nan 0.000 0.444 610 T N -0.574 113.648 114.554 -0.554 0.000 2.737 610 T HA -0.197 3.972 4.350 -0.301 0.000 0.269 610 T C 2.054 176.598 174.700 -0.260 0.000 1.040 610 T CA 1.781 63.755 62.100 -0.211 0.000 1.142 610 T CB -0.260 68.614 68.868 0.010 0.000 0.861 610 T HN 0.499 nan 8.240 nan 0.000 0.456 611 R N 0.583 120.915 120.500 -0.280 0.000 2.073 611 R HA -0.052 4.108 4.340 -0.301 0.000 0.234 611 R C 2.845 179.002 176.300 -0.238 0.000 1.134 611 R CA 1.361 57.329 56.100 -0.219 0.000 0.952 611 R CB -0.192 30.006 30.300 -0.171 0.000 0.850 611 R HN 0.512 nan 8.270 nan 0.000 0.433 612 Q N -0.586 118.998 119.800 -0.359 0.000 2.124 612 Q HA -0.169 3.991 4.340 -0.301 0.000 0.202 612 Q C 1.897 177.783 176.000 -0.190 0.000 0.977 612 Q CA 1.321 56.936 55.803 -0.313 0.000 0.850 612 Q CB -0.080 28.401 28.738 -0.427 0.000 0.901 612 Q HN 0.259 nan 8.270 nan 0.000 0.429 613 F N 0.907 120.714 119.950 -0.237 0.000 2.134 613 F HA -0.185 4.161 4.527 -0.301 0.000 0.299 613 F C 2.798 178.469 175.800 -0.216 0.000 1.097 613 F CA 1.339 59.209 58.000 -0.216 0.000 1.264 613 F CB -1.346 37.570 39.000 -0.140 0.000 1.001 613 F HN 0.081 nan 8.300 nan 0.000 0.479 614 S N -0.075 115.624 115.700 -0.002 0.000 2.400 614 S HA -0.199 4.091 4.470 -0.301 0.000 0.232 614 S C 1.368 175.899 174.600 -0.115 0.000 1.025 614 S CA 0.964 59.120 58.200 -0.073 0.000 0.993 614 S CB -0.729 62.410 63.200 -0.103 0.000 0.808 614 S HN 0.398 nan 8.310 nan 0.000 0.478 615 K N 0.609 120.937 120.400 -0.120 0.000 2.911 615 K HA 0.339 4.478 4.320 -0.301 0.000 0.239 615 K C 0.365 176.870 176.600 -0.158 0.000 1.090 615 K CA -0.011 56.202 56.287 -0.124 0.000 1.225 615 K CB -0.221 32.215 32.500 -0.107 0.000 1.087 615 K HN 0.485 nan 8.250 nan 0.000 0.464 616 M N -1.116 118.325 119.600 -0.263 0.000 2.306 616 M HA 0.115 4.415 4.480 -0.301 0.000 0.292 616 M C 1.109 177.105 176.300 -0.506 0.000 1.018 616 M CA 0.108 55.155 55.300 -0.422 0.000 1.007 616 M CB 1.102 33.298 32.600 -0.673 0.000 1.510 616 M HN 0.508 nan 8.290 nan 0.000 0.537 617 G N 1.824 110.438 108.800 -0.310 0.000 2.507 617 G HA2 -0.371 3.409 3.960 -0.301 0.000 0.240 617 G HA3 -0.371 3.409 3.960 -0.301 0.000 0.240 617 G C 0.570 175.428 174.900 -0.068 0.000 1.119 617 G CA 0.988 45.993 45.100 -0.159 0.000 0.664 617 G HN 0.582 nan 8.290 nan 0.000 0.516 618 F N 1.000 121.019 119.950 0.114 0.000 2.797 618 F HA 0.702 5.048 4.527 -0.301 0.000 0.302 618 F C 0.663 176.593 175.800 0.215 0.000 1.130 618 F CA -0.751 57.363 58.000 0.190 0.000 1.387 618 F CB -0.188 39.002 39.000 0.317 0.000 1.107 618 F HN 0.121 nan 8.300 nan 0.000 0.577 619 V N 1.970 121.904 119.914 0.033 0.000 2.394 619 V HA 0.157 4.097 4.120 -0.301 0.000 0.282 619 V C -0.616 175.478 176.094 -0.000 0.000 1.031 619 V CA -0.752 61.579 62.300 0.052 0.000 0.881 619 V CB 1.362 33.152 31.823 -0.055 0.000 0.982 619 V HN 0.123 nan 8.190 nan 0.000 0.451 620 D N 3.852 124.249 120.400 -0.004 0.000 2.494 620 D HA 0.086 4.545 4.640 -0.301 0.000 0.217 620 D C 1.281 177.537 176.300 -0.075 0.000 1.153 620 D CA -0.441 53.525 54.000 -0.056 0.000 0.954 620 D CB 0.604 41.350 40.800 -0.089 0.000 1.034 620 D HN 0.671 nan 8.370 nan 0.000 0.518 621 D N 2.727 123.087 120.400 -0.066 0.000 2.315 621 D HA -0.243 4.217 4.640 -0.301 0.000 0.211 621 D C 0.843 177.109 176.300 -0.057 0.000 0.977 621 D CA 0.601 54.557 54.000 -0.072 0.000 0.894 621 D CB 0.125 40.878 40.800 -0.077 0.000 0.910 621 D HN 0.461 nan 8.370 nan 0.000 0.490 622 K N 0.005 120.374 120.400 -0.052 0.000 2.525 622 K HA 0.072 4.212 4.320 -0.301 0.000 0.192 622 K C 0.569 177.161 176.600 -0.014 0.000 1.029 622 K CA 0.232 56.502 56.287 -0.028 0.000 1.029 622 K CB 0.318 32.801 32.500 -0.029 0.000 0.814 622 K HN 0.041 nan 8.250 nan 0.000 0.503 623 R N 0.984 121.448 120.500 -0.061 0.000 2.684 623 R HA 0.312 4.472 4.340 -0.301 0.000 0.252 623 R C -1.127 175.126 176.300 -0.078 0.000 1.628 623 R CA -0.125 55.924 56.100 -0.085 0.000 1.622 623 R CB 0.658 30.719 30.300 -0.398 0.000 1.418 623 R HN -0.013 nan 8.270 nan 0.000 0.697 624 I N 0.875 121.551 120.570 0.177 0.000 2.441 624 I HA 0.704 4.694 4.170 -0.301 0.000 0.295 624 I C 0.110 176.547 176.117 0.534 0.000 0.994 624 I CA -0.849 60.609 61.300 0.263 0.000 1.144 624 I CB 1.979 39.964 38.000 -0.024 0.000 1.314 624 I HN 0.319 nan 8.210 nan 0.000 0.445 625 A N 6.474 129.706 122.820 0.686 0.000 2.486 625 A HA 0.930 5.069 4.320 -0.301 0.000 0.289 625 A C -1.264 176.712 177.584 0.654 0.000 1.176 625 A CA -0.636 51.766 52.037 0.609 0.000 0.757 625 A CB 2.166 21.331 19.000 0.275 0.000 1.337 625 A HN 0.710 nan 8.150 nan 0.000 0.423 626 I N 0.228 121.080 120.570 0.470 0.000 2.752 626 I HA 0.681 4.670 4.170 -0.301 0.000 0.295 626 I C -2.022 174.358 176.117 0.440 0.000 1.219 626 I CA -0.453 61.057 61.300 0.350 0.000 1.030 626 I CB 1.779 39.704 38.000 -0.125 0.000 1.259 626 I HN 0.947 nan 8.210 nan 0.000 0.423 627 W N 6.896 128.335 121.300 0.232 0.000 3.146 627 W HA 0.835 5.312 4.660 -0.305 0.000 0.319 627 W C -1.568 175.106 176.519 0.258 0.000 1.258 627 W CA -1.002 56.490 57.345 0.246 0.000 1.189 627 W CB 0.998 30.652 29.460 0.324 0.000 1.412 627 W HN 0.818 nan 8.180 nan 0.000 0.567 628 G N 0.914 109.564 108.800 -0.251 0.000 2.601 628 G HA2 0.477 4.257 3.960 -0.301 0.000 0.291 628 G HA3 0.477 4.257 3.960 -0.301 0.000 0.291 628 G C -2.808 171.956 174.900 -0.227 0.000 1.456 628 G CA -0.734 44.083 45.100 -0.472 0.000 0.804 628 G HN 0.626 nan 8.290 nan 0.000 0.499 629 W N 1.168 122.266 121.300 -0.337 0.000 2.702 629 W HA 0.618 5.102 4.660 -0.294 0.000 0.331 629 W C 0.678 177.165 176.519 -0.053 0.000 1.049 629 W CA 0.353 57.602 57.345 -0.160 0.000 1.230 629 W CB 1.805 31.176 29.460 -0.148 0.000 1.408 629 W HN 1.181 nan 8.180 nan 0.000 0.492 630 S N 2.460 118.311 115.700 0.251 0.000 4.064 630 S HA -0.422 3.868 4.470 -0.301 0.000 0.625 630 S C 1.069 175.696 174.600 0.045 0.000 2.010 630 S CA 1.561 59.919 58.200 0.262 0.000 4.186 630 S CB -1.785 61.708 63.200 0.490 0.000 0.211 630 S HN 0.752 nan 8.310 nan 0.000 0.605 631 Y N 2.294 122.477 120.300 -0.195 0.000 2.193 631 Y HA -0.061 4.310 4.550 -0.298 0.000 0.285 631 Y C 2.317 178.088 175.900 -0.216 0.000 1.166 631 Y CA 2.662 60.582 58.100 -0.300 0.000 1.181 631 Y CB -1.049 37.019 38.460 -0.653 0.000 0.976 631 Y HN 0.535 nan 8.280 nan 0.000 0.520 632 G N -1.374 107.381 108.800 -0.076 0.000 2.509 632 G HA2 -0.129 3.651 3.960 -0.301 0.000 0.218 632 G HA3 -0.129 3.651 3.960 -0.301 0.000 0.218 632 G C 1.813 176.726 174.900 0.021 0.000 1.124 632 G CA 0.633 45.746 45.100 0.021 0.000 0.776 632 G HN 0.585 nan 8.290 nan 0.000 0.547 633 G N -0.440 108.371 108.800 0.018 0.000 2.494 633 G HA2 -0.069 3.711 3.960 -0.301 0.000 0.216 633 G HA3 -0.069 3.711 3.960 -0.301 0.000 0.216 633 G C 1.443 176.373 174.900 0.050 0.000 1.140 633 G CA 0.795 45.911 45.100 0.026 0.000 0.801 633 G HN 0.377 nan 8.290 nan 0.000 0.536 634 Y N 1.631 121.838 120.300 -0.155 0.000 2.092 634 Y HA -0.095 4.273 4.550 -0.302 0.000 0.282 634 Y C 2.703 178.535 175.900 -0.112 0.000 1.126 634 Y CA 1.580 59.544 58.100 -0.228 0.000 1.111 634 Y CB -0.592 37.570 38.460 -0.496 0.000 0.987 634 Y HN -0.001 nan 8.280 nan 0.000 0.489 635 V N 0.024 119.817 119.914 -0.201 0.000 2.282 635 V HA -0.372 3.568 4.120 -0.301 0.000 0.249 635 V C 2.366 178.362 176.094 -0.163 0.000 1.057 635 V CA 2.568 64.743 62.300 -0.208 0.000 1.032 635 V CB -1.387 30.478 31.823 0.070 0.000 0.645 635 V HN 0.521 nan 8.190 nan 0.000 0.447 636 T N -0.253 114.261 114.554 -0.065 0.000 2.737 636 T HA -0.215 3.955 4.350 -0.301 0.000 0.269 636 T C 2.126 176.795 174.700 -0.052 0.000 1.040 636 T CA 2.050 64.124 62.100 -0.042 0.000 1.142 636 T CB -0.250 68.662 68.868 0.073 0.000 0.861 636 T HN 0.530 nan 8.240 nan 0.000 0.456 637 S N 0.602 116.290 115.700 -0.020 0.000 2.371 637 S HA 0.033 4.323 4.470 -0.301 0.000 0.224 637 S C 2.119 176.682 174.600 -0.063 0.000 1.029 637 S CA 0.768 58.984 58.200 0.027 0.000 0.978 637 S CB -0.204 63.041 63.200 0.076 0.000 0.833 637 S HN 0.304 nan 8.310 nan 0.000 0.466 638 M N 1.085 120.549 119.600 -0.227 0.000 2.117 638 M HA -0.032 4.267 4.480 -0.301 0.000 0.262 638 M C 2.202 178.371 176.300 -0.217 0.000 1.065 638 M CA 1.098 56.245 55.300 -0.254 0.000 1.114 638 M CB -1.563 30.776 32.600 -0.435 0.000 1.361 638 M HN 0.154 nan 8.290 nan 0.000 0.408 639 V N 0.757 120.535 119.914 -0.226 0.000 2.223 639 V HA -0.274 3.666 4.120 -0.301 0.000 0.244 639 V C 2.614 178.539 176.094 -0.282 0.000 1.045 639 V CA 1.575 63.738 62.300 -0.229 0.000 1.000 639 V CB -0.760 30.865 31.823 -0.331 0.000 0.635 639 V HN 0.404 nan 8.190 nan 0.000 0.445 640 L N 0.437 121.445 121.223 -0.359 0.000 2.089 640 L HA -0.203 3.957 4.340 -0.301 0.000 0.213 640 L C 2.334 178.752 176.870 -0.754 0.000 1.079 640 L CA 1.896 56.457 54.840 -0.463 0.000 0.758 640 L CB -1.058 40.711 42.059 -0.484 0.000 0.891 640 L HN 0.549 nan 8.230 nan 0.000 0.433 641 G N -1.347 106.949 108.800 -0.840 0.000 2.920 641 G HA2 0.109 3.889 3.960 -0.301 0.000 0.208 641 G HA3 0.109 3.889 3.960 -0.301 0.000 0.208 641 G C 1.472 176.181 174.900 -0.319 0.000 1.159 641 G CA 0.512 45.145 45.100 -0.779 0.000 0.784 641 G HN 0.447 nan 8.290 nan 0.000 0.535 642 A N -0.022 122.660 122.820 -0.230 0.000 2.206 642 A HA 0.430 4.570 4.320 -0.301 0.000 0.211 642 A C 2.186 179.723 177.584 -0.078 0.000 1.158 642 A CA 1.199 53.172 52.037 -0.107 0.000 0.761 642 A CB -0.444 18.523 19.000 -0.055 0.000 0.801 642 A HN 1.386 nan 8.150 nan 0.000 0.473 643 G N 0.011 108.743 108.800 -0.113 0.000 2.233 643 G HA2 -0.342 3.438 3.960 -0.301 0.000 0.270 643 G HA3 -0.342 3.438 3.960 -0.301 0.000 0.270 643 G C 1.023 175.913 174.900 -0.018 0.000 1.011 643 G CA 1.301 46.361 45.100 -0.066 0.000 0.762 643 G HN 1.475 nan 8.290 nan 0.000 0.511 644 S N -0.558 115.147 115.700 0.009 0.000 2.603 644 S HA 0.327 4.617 4.470 -0.301 0.000 0.229 644 S C 2.321 176.939 174.600 0.030 0.000 0.972 644 S CA 1.130 59.349 58.200 0.032 0.000 0.935 644 S CB -0.230 63.014 63.200 0.074 0.000 0.769 644 S HN 2.256 nan 8.310 nan 0.000 0.536 645 G N 0.516 109.335 108.800 0.033 0.000 2.225 645 G HA2 -0.308 3.472 3.960 -0.301 0.000 0.272 645 G HA3 -0.308 3.472 3.960 -0.301 0.000 0.272 645 G C 0.724 175.630 174.900 0.010 0.000 0.996 645 G CA 0.642 45.758 45.100 0.027 0.000 0.710 645 G HN 0.627 nan 8.290 nan 0.000 0.522 646 V N -0.852 119.063 119.914 0.002 0.000 2.379 646 V HA 0.245 4.184 4.120 -0.301 0.000 0.243 646 V C 1.416 177.349 176.094 -0.269 0.000 1.035 646 V CA 1.318 63.509 62.300 -0.181 0.000 1.035 646 V CB -0.356 31.259 31.823 -0.346 0.000 0.673 646 V HN 0.283 nan 8.190 nan 0.000 0.457 647 F N 0.391 120.377 119.950 0.060 0.000 2.384 647 F HA 0.330 4.678 4.527 -0.299 0.000 0.338 647 F C 1.246 177.111 175.800 0.108 0.000 1.103 647 F CA -0.203 57.862 58.000 0.108 0.000 1.157 647 F CB 0.873 39.943 39.000 0.117 0.000 1.167 647 F HN -0.186 nan 8.300 nan 0.000 0.529 648 K N 1.293 121.872 120.400 0.298 0.000 2.067 648 K HA 0.097 4.237 4.320 -0.301 0.000 0.203 648 K C -0.067 176.677 176.600 0.241 0.000 1.048 648 K CA 0.964 57.388 56.287 0.228 0.000 0.954 648 K CB 0.242 32.882 32.500 0.233 0.000 0.737 648 K HN 0.808 nan 8.250 nan 0.000 0.444 649 c N -2.471 116.305 118.600 0.295 0.000 3.291 649 c HA 0.914 5.303 4.570 -0.301 0.000 0.316 649 c C -0.167 174.150 174.090 0.379 0.000 1.391 649 c CA -0.660 55.858 56.329 0.315 0.000 1.394 649 c CB 1.096 43.732 42.510 0.210 0.000 1.744 649 c HN 0.373 nan 8.230 nan 0.000 0.461 650 G N -0.017 109.063 108.800 0.467 0.000 2.698 650 G HA2 0.731 4.510 3.960 -0.301 0.000 0.293 650 G HA3 0.731 4.510 3.960 -0.301 0.000 0.293 650 G C -1.967 173.212 174.900 0.464 0.000 1.437 650 G CA -0.678 44.685 45.100 0.438 0.000 0.852 650 G HN 0.962 nan 8.290 nan 0.000 0.499 651 I N 0.637 121.440 120.570 0.389 0.000 2.498 651 I HA 0.634 4.624 4.170 -0.301 0.000 0.290 651 I C 0.073 176.339 176.117 0.249 0.000 1.032 651 I CA -0.986 60.433 61.300 0.198 0.000 1.073 651 I CB 2.324 40.427 38.000 0.171 0.000 1.251 651 I HN 0.657 nan 8.210 nan 0.000 0.426 652 A N 6.294 129.155 122.820 0.068 0.000 2.330 652 A HA 0.797 4.937 4.320 -0.301 0.000 0.313 652 A C -0.911 176.605 177.584 -0.113 0.000 1.124 652 A CA -0.513 51.564 52.037 0.067 0.000 0.774 652 A CB 1.290 20.406 19.000 0.193 0.000 1.198 652 A HN 0.420 nan 8.150 nan 0.000 0.465 653 V N 1.944 121.735 119.914 -0.206 0.000 2.384 653 V HA 0.587 4.526 4.120 -0.301 0.000 0.287 653 V C 0.923 176.628 176.094 -0.647 0.000 1.020 653 V CA 0.241 62.212 62.300 -0.548 0.000 0.850 653 V CB 0.754 31.979 31.823 -0.996 0.000 0.987 653 V HN 2.159 nan 8.190 nan 0.000 0.436 654 A N 5.492 127.915 122.820 -0.662 0.000 2.415 654 A HA -0.106 4.034 4.320 -0.301 0.000 0.292 654 A C -1.745 175.679 177.584 -0.267 0.000 1.452 654 A CA 0.534 52.055 52.037 -0.860 0.000 0.750 654 A CB -1.506 17.075 19.000 -0.698 0.000 1.099 654 A HN 0.629 nan 8.150 nan 0.000 0.391 655 P HA 0.477 nan 4.420 nan 0.000 0.284 655 P C 0.115 177.380 177.300 -0.059 0.000 1.258 655 P CA -0.333 62.744 63.100 -0.038 0.000 0.824 655 P CB 1.537 33.242 31.700 0.009 0.000 1.038 656 V N 2.024 121.784 119.914 -0.257 0.000 2.732 656 V HA 0.125 4.065 4.120 -0.301 0.000 0.297 656 V C 1.648 177.514 176.094 -0.381 0.000 1.060 656 V CA 0.956 62.959 62.300 -0.496 0.000 1.038 656 V CB 0.965 32.080 31.823 -1.180 0.000 1.003 656 V HN 0.875 nan 8.190 nan 0.000 0.481 657 S N 2.657 118.179 115.700 -0.296 0.000 2.663 657 S HA 0.287 4.576 4.470 -0.301 0.000 0.247 657 S C 0.312 174.793 174.600 -0.200 0.000 1.074 657 S CA -0.247 57.872 58.200 -0.136 0.000 0.955 657 S CB 0.279 63.456 63.200 -0.040 0.000 0.901 657 S HN 0.630 nan 8.310 nan 0.000 0.505 658 K N -0.203 120.018 120.400 -0.298 0.000 2.615 658 K HA 0.299 4.439 4.320 -0.301 0.000 0.249 658 K C -0.903 175.454 176.600 -0.405 0.000 0.977 658 K CA -0.690 55.379 56.287 -0.363 0.000 0.833 658 K CB 0.672 32.884 32.500 -0.479 0.000 1.208 658 K HN 0.200 nan 8.250 nan 0.000 0.443 659 W N 2.293 123.494 121.300 -0.165 0.000 2.341 659 W HA -0.155 4.329 4.660 -0.293 0.000 0.283 659 W C 1.190 177.770 176.519 0.100 0.000 1.215 659 W CA 0.856 58.142 57.345 -0.099 0.000 1.211 659 W CB 0.249 29.534 29.460 -0.291 0.000 1.131 659 W HN 0.731 nan 8.180 nan 0.000 0.552 660 E N -1.243 119.097 120.200 0.232 0.000 2.409 660 E HA -0.179 3.991 4.350 -0.301 0.000 0.198 660 E C 1.217 177.884 176.600 0.110 0.000 1.024 660 E CA 0.722 57.231 56.400 0.181 0.000 0.861 660 E CB -0.213 29.486 29.700 -0.001 0.000 0.788 660 E HN 0.404 nan 8.360 nan 0.000 0.521 661 Y N -1.422 118.962 120.300 0.141 0.000 2.490 661 Y HA 0.045 4.426 4.550 -0.282 0.000 0.285 661 Y C 0.735 176.692 175.900 0.095 0.000 1.117 661 Y CA -0.250 57.887 58.100 0.062 0.000 1.262 661 Y CB -0.299 38.142 38.460 -0.031 0.000 1.043 661 Y HN 0.016 nan 8.280 nan 0.000 0.553 662 Y N 2.408 122.831 120.300 0.204 0.000 2.298 662 Y HA 0.232 4.599 4.550 -0.305 0.000 0.329 662 Y C 0.540 176.617 175.900 0.296 0.000 1.293 662 Y CA -1.925 56.296 58.100 0.201 0.000 1.388 662 Y CB 0.249 38.851 38.460 0.237 0.000 1.309 662 Y HN 0.236 nan 8.280 nan 0.000 0.544 663 D N -0.013 120.018 120.400 -0.615 0.000 2.406 663 D HA -0.023 4.436 4.640 -0.301 0.000 0.234 663 D C 0.991 177.238 176.300 -0.088 0.000 1.196 663 D CA 0.652 54.382 54.000 -0.450 0.000 0.881 663 D CB 0.613 40.849 40.800 -0.940 0.000 1.205 663 D HN 0.479 nan 8.370 nan 0.000 0.453 664 S N 0.835 116.508 115.700 -0.045 0.000 2.371 664 S HA -0.165 4.125 4.470 -0.301 0.000 0.224 664 S C 1.890 176.520 174.600 0.048 0.000 1.029 664 S CA 0.948 59.183 58.200 0.059 0.000 0.978 664 S CB -0.850 62.396 63.200 0.076 0.000 0.833 664 S HN 0.415 nan 8.310 nan 0.000 0.466 665 V N 1.148 121.039 119.914 -0.039 0.000 2.233 665 V HA -0.192 3.748 4.120 -0.301 0.000 0.247 665 V C 2.276 178.307 176.094 -0.106 0.000 1.050 665 V CA 2.338 64.547 62.300 -0.150 0.000 1.010 665 V CB -1.142 30.439 31.823 -0.403 0.000 0.637 665 V HN 0.614 nan 8.190 nan 0.000 0.444 666 Y N 1.350 121.580 120.300 -0.117 0.000 2.060 666 Y HA -0.288 4.083 4.550 -0.298 0.000 0.276 666 Y C 2.784 178.615 175.900 -0.116 0.000 1.127 666 Y CA 2.584 60.656 58.100 -0.047 0.000 1.104 666 Y CB -0.899 37.747 38.460 0.310 0.000 0.983 666 Y HN 0.244 nan 8.280 nan 0.000 0.483 667 T N 0.620 115.402 114.554 0.381 0.000 2.565 667 T HA -0.330 3.839 4.350 -0.301 0.000 0.265 667 T C 1.622 176.257 174.700 -0.107 0.000 1.082 667 T CA 2.230 64.448 62.100 0.196 0.000 1.173 667 T CB -0.603 68.528 68.868 0.438 0.000 0.864 667 T HN 0.487 nan 8.240 nan 0.000 0.425 668 E N 0.359 120.547 120.200 -0.019 0.000 2.097 668 E HA -0.200 3.969 4.350 -0.301 0.000 0.196 668 E C 2.412 178.890 176.600 -0.204 0.000 1.000 668 E CA 1.030 57.410 56.400 -0.033 0.000 0.804 668 E CB -0.208 29.517 29.700 0.043 0.000 0.740 668 E HN 0.358 nan 8.360 nan 0.000 0.454 669 R N 0.039 120.283 120.500 -0.426 0.000 2.140 669 R HA -0.228 3.932 4.340 -0.301 0.000 0.250 669 R C 1.406 177.292 176.300 -0.690 0.000 1.150 669 R CA 1.884 57.596 56.100 -0.647 0.000 0.966 669 R CB -0.119 29.505 30.300 -1.127 0.000 0.869 669 R HN 0.264 nan 8.270 nan 0.000 0.445 670 Y N -2.354 117.674 120.300 -0.454 0.000 2.458 670 Y HA 0.257 4.626 4.550 -0.302 0.000 0.254 670 Y C 1.516 177.250 175.900 -0.276 0.000 1.120 670 Y CA -0.061 57.777 58.100 -0.437 0.000 1.282 670 Y CB 0.560 38.576 38.460 -0.740 0.000 1.109 670 Y HN -0.013 nan 8.280 nan 0.000 0.526 671 M N -0.591 118.915 119.600 -0.157 0.000 2.279 671 M HA 0.380 4.679 4.480 -0.301 0.000 0.306 671 M C 0.964 177.302 176.300 0.063 0.000 0.965 671 M CA 0.717 55.944 55.300 -0.122 0.000 1.038 671 M CB 0.198 32.579 32.600 -0.366 0.000 1.636 671 M HN 0.309 nan 8.290 nan 0.000 0.574 672 G N 2.007 110.839 108.800 0.053 0.000 2.698 672 G HA2 -0.212 3.567 3.960 -0.301 0.000 0.233 672 G HA3 -0.212 3.567 3.960 -0.301 0.000 0.233 672 G C -0.788 174.211 174.900 0.165 0.000 1.352 672 G CA -0.824 44.330 45.100 0.089 0.000 0.879 672 G HN 0.238 nan 8.290 nan 0.000 0.567 673 L N 2.267 123.544 121.223 0.089 0.000 2.375 673 L HA 0.469 4.628 4.340 -0.301 0.000 0.271 673 L C -0.874 175.918 176.870 -0.130 0.000 1.107 673 L CA -1.299 53.546 54.840 0.009 0.000 0.806 673 L CB 1.126 43.173 42.059 -0.020 0.000 1.146 673 L HN 0.449 nan 8.230 nan 0.000 0.447 674 P HA 0.034 nan 4.420 nan 0.000 0.249 674 P C -0.322 176.762 177.300 -0.361 0.000 1.593 674 P CA -0.132 62.441 63.100 -0.878 0.000 0.896 674 P CB -0.501 30.497 31.700 -1.170 0.000 1.581 675 T N -2.897 111.547 114.554 -0.183 0.000 2.907 675 T HA 0.334 4.503 4.350 -0.301 0.000 0.284 675 T C -1.494 173.178 174.700 -0.047 0.000 1.004 675 T CA -2.283 59.760 62.100 -0.095 0.000 1.063 675 T CB 1.603 70.436 68.868 -0.059 0.000 0.992 675 T HN -0.160 nan 8.240 nan 0.000 0.483 676 P HA -0.114 nan 4.420 nan 0.000 0.219 676 P C 0.794 178.101 177.300 0.011 0.000 1.146 676 P CA 1.135 64.234 63.100 -0.001 0.000 0.808 676 P CB 0.289 31.986 31.700 -0.005 0.000 0.779 677 E N -0.181 120.019 120.200 0.000 0.000 2.047 677 E HA -0.111 4.059 4.350 -0.301 0.000 0.191 677 E C 1.772 178.382 176.600 0.015 0.000 0.987 677 E CA 0.973 57.377 56.400 0.006 0.000 0.799 677 E CB -0.575 29.123 29.700 -0.003 0.000 0.752 677 E HN 0.296 nan 8.360 nan 0.000 0.449 678 D N -0.256 120.151 120.400 0.012 0.000 2.173 678 D HA -0.000 4.460 4.640 -0.301 0.000 0.296 678 D C 0.327 176.665 176.300 0.063 0.000 1.140 678 D CA 0.235 54.251 54.000 0.028 0.000 0.952 678 D CB -0.049 40.762 40.800 0.018 0.000 1.021 678 D HN -0.022 nan 8.370 nan 0.000 0.344 679 N N 0.156 118.918 118.700 0.103 0.000 2.380 679 N HA 0.016 4.576 4.740 -0.301 0.000 0.255 679 N C 1.344 177.036 175.510 0.302 0.000 1.158 679 N CA -0.224 52.945 53.050 0.198 0.000 0.878 679 N CB 0.194 38.801 38.487 0.201 0.000 1.138 679 N HN 0.070 nan 8.380 nan 0.000 0.509 680 L N 0.558 121.864 121.223 0.139 0.000 2.187 680 L HA -0.124 4.035 4.340 -0.301 0.000 0.213 680 L C 1.304 178.286 176.870 0.187 0.000 1.100 680 L CA 1.845 56.740 54.840 0.092 0.000 0.765 680 L CB -0.313 41.728 42.059 -0.030 0.000 0.904 680 L HN 0.168 nan 8.230 nan 0.000 0.437 681 D N -1.184 119.323 120.400 0.178 0.000 2.144 681 D HA -0.209 4.251 4.640 -0.301 0.000 0.199 681 D C 1.892 178.223 176.300 0.052 0.000 0.984 681 D CA 1.497 55.556 54.000 0.098 0.000 0.834 681 D CB -0.196 40.640 40.800 0.060 0.000 0.955 681 D HN 0.454 nan 8.370 nan 0.000 0.465 682 Y N -0.750 119.620 120.300 0.116 0.000 2.516 682 Y HA -0.041 4.328 4.550 -0.301 0.000 0.291 682 Y C 1.851 177.817 175.900 0.109 0.000 1.131 682 Y CA 0.257 58.403 58.100 0.078 0.000 1.281 682 Y CB -0.350 38.120 38.460 0.017 0.000 1.013 682 Y HN 0.060 nan 8.280 nan 0.000 0.554 683 Y N -0.384 120.008 120.300 0.153 0.000 2.314 683 Y HA -0.171 4.197 4.550 -0.303 0.000 0.293 683 Y C 2.266 178.219 175.900 0.088 0.000 1.129 683 Y CA 1.214 59.395 58.100 0.135 0.000 1.201 683 Y CB 0.048 38.562 38.460 0.091 0.000 0.999 683 Y HN -0.041 nan 8.280 nan 0.000 0.541 684 R N -0.033 120.583 120.500 0.193 0.000 2.075 684 R HA -0.073 4.086 4.340 -0.301 0.000 0.220 684 R C 1.863 178.188 176.300 0.041 0.000 1.118 684 R CA 1.140 57.292 56.100 0.086 0.000 0.986 684 R CB -0.482 29.843 30.300 0.041 0.000 0.884 684 R HN 0.350 nan 8.270 nan 0.000 0.439 685 N N 1.136 119.832 118.700 -0.006 0.000 2.571 685 N HA -0.094 4.465 4.740 -0.301 0.000 0.189 685 N C 0.825 176.344 175.510 0.016 0.000 1.154 685 N CA 1.238 54.266 53.050 -0.037 0.000 0.907 685 N CB 0.156 38.562 38.487 -0.134 0.000 0.977 685 N HN 0.124 nan 8.380 nan 0.000 0.449 686 S N -1.121 114.633 115.700 0.089 0.000 2.568 686 S HA 0.053 4.342 4.470 -0.301 0.000 0.232 686 S C 0.639 175.374 174.600 0.225 0.000 0.975 686 S CA -0.294 58.017 58.200 0.185 0.000 0.949 686 S CB -0.613 62.758 63.200 0.285 0.000 0.829 686 S HN 0.389 nan 8.310 nan 0.000 0.479 687 T N -1.042 113.581 114.554 0.116 0.000 2.868 687 T HA 0.453 4.622 4.350 -0.301 0.000 0.292 687 T C 1.253 175.990 174.700 0.061 0.000 1.028 687 T CA -0.441 61.695 62.100 0.059 0.000 1.059 687 T CB 1.204 70.067 68.868 -0.009 0.000 0.991 687 T HN -0.033 nan 8.240 nan 0.000 0.531 688 V N 1.629 121.567 119.914 0.039 0.000 2.591 688 V HA -0.061 3.879 4.120 -0.301 0.000 0.249 688 V C 2.497 178.569 176.094 -0.037 0.000 1.053 688 V CA 1.361 63.666 62.300 0.008 0.000 1.068 688 V CB -0.815 30.999 31.823 -0.014 0.000 0.689 688 V HN 0.834 nan 8.190 nan 0.000 0.462 689 M N 0.763 120.328 119.600 -0.059 0.000 2.460 689 M HA -0.099 4.201 4.480 -0.301 0.000 0.263 689 M C 2.197 178.473 176.300 -0.041 0.000 1.071 689 M CA 1.587 56.837 55.300 -0.085 0.000 1.096 689 M CB -0.747 31.812 32.600 -0.068 0.000 1.408 689 M HN 0.478 nan 8.290 nan 0.000 0.463 690 S N -0.217 115.477 115.700 -0.010 0.000 2.481 690 S HA -0.023 4.267 4.470 -0.301 0.000 0.231 690 S C 1.816 176.428 174.600 0.019 0.000 0.996 690 S CA 0.509 58.709 58.200 0.002 0.000 0.942 690 S CB -0.227 62.975 63.200 0.004 0.000 0.768 690 S HN 0.520 nan 8.310 nan 0.000 0.520 691 R N 0.345 120.876 120.500 0.052 0.000 2.427 691 R HA 0.449 4.609 4.340 -0.301 0.000 0.262 691 R C 2.005 178.436 176.300 0.218 0.000 0.943 691 R CA 0.414 56.573 56.100 0.098 0.000 1.081 691 R CB -0.122 30.238 30.300 0.099 0.000 1.166 691 R HN 0.487 nan 8.270 nan 0.000 0.534 692 A N 1.186 124.083 122.820 0.128 0.000 1.986 692 A HA -0.254 3.886 4.320 -0.301 0.000 0.220 692 A C 1.950 179.635 177.584 0.168 0.000 1.171 692 A CA 1.669 53.764 52.037 0.097 0.000 0.640 692 A CB -0.146 18.800 19.000 -0.091 0.000 0.811 692 A HN 0.192 nan 8.150 nan 0.000 0.451 693 E N 0.456 120.717 120.200 0.102 0.000 2.047 693 E HA -0.127 4.043 4.350 -0.301 0.000 0.191 693 E C 1.708 178.355 176.600 0.078 0.000 0.987 693 E CA 1.529 57.972 56.400 0.073 0.000 0.799 693 E CB -0.515 29.208 29.700 0.038 0.000 0.752 693 E HN 0.766 nan 8.360 nan 0.000 0.449 694 N N -0.955 117.772 118.700 0.045 0.000 2.513 694 N HA -0.146 4.414 4.740 -0.301 0.000 0.187 694 N C 0.814 176.251 175.510 -0.122 0.000 1.056 694 N CA 0.258 53.276 53.050 -0.055 0.000 0.907 694 N CB -0.170 38.237 38.487 -0.134 0.000 0.954 694 N HN 0.136 nan 8.380 nan 0.000 0.445 695 F N 1.274 121.175 119.950 -0.081 0.000 2.699 695 F HA 0.032 4.383 4.527 -0.294 0.000 0.298 695 F C 1.840 177.634 175.800 -0.010 0.000 1.154 695 F CA 0.647 58.592 58.000 -0.092 0.000 1.457 695 F CB 0.116 39.002 39.000 -0.191 0.000 1.106 695 F HN -0.073 nan 8.300 nan 0.000 0.585 696 K N -0.130 120.350 120.400 0.134 0.000 2.365 696 K HA -0.103 4.036 4.320 -0.301 0.000 0.199 696 K C 1.435 178.089 176.600 0.090 0.000 1.045 696 K CA 0.758 57.115 56.287 0.117 0.000 0.962 696 K CB -0.159 32.394 32.500 0.088 0.000 0.759 696 K HN 0.398 nan 8.250 nan 0.000 0.469 697 Q N 0.508 120.339 119.800 0.052 0.000 2.424 697 Q HA 0.019 4.179 4.340 -0.301 0.000 0.204 697 Q C 0.662 176.700 176.000 0.063 0.000 0.933 697 Q CA 0.144 55.973 55.803 0.043 0.000 0.929 697 Q CB 0.623 29.367 28.738 0.010 0.000 1.037 697 Q HN 0.144 nan 8.270 nan 0.000 0.511 698 V N -3.209 116.753 119.914 0.079 0.000 3.074 698 V HA 0.461 4.400 4.120 -0.301 0.000 0.314 698 V C -0.899 175.335 176.094 0.234 0.000 1.117 698 V CA -1.202 61.177 62.300 0.131 0.000 1.014 698 V CB 2.282 34.153 31.823 0.080 0.000 1.057 698 V HN -0.080 nan 8.190 nan 0.000 0.438 699 E N 1.270 121.638 120.200 0.281 0.000 2.130 699 E HA 0.391 4.561 4.350 -0.301 0.000 0.284 699 E C -1.980 174.973 176.600 0.588 0.000 1.018 699 E CA -0.413 56.217 56.400 0.383 0.000 0.817 699 E CB 1.299 31.159 29.700 0.267 0.000 1.078 699 E HN 0.699 nan 8.360 nan 0.000 0.396 700 Y N 4.035 124.595 120.300 0.435 0.000 2.446 700 Y HA 0.454 4.824 4.550 -0.300 0.000 0.345 700 Y C -1.564 174.457 175.900 0.202 0.000 0.984 700 Y CA -1.171 57.150 58.100 0.369 0.000 1.058 700 Y CB 1.111 39.816 38.460 0.409 0.000 1.220 700 Y HN 0.415 nan 8.280 nan 0.000 0.455 701 L N 7.874 128.809 121.223 -0.479 0.000 2.372 701 L HA 0.478 4.638 4.340 -0.301 0.000 0.273 701 L C -1.794 174.613 176.870 -0.772 0.000 0.989 701 L CA -0.720 53.694 54.840 -0.710 0.000 0.841 701 L CB 1.133 42.513 42.059 -1.132 0.000 1.225 701 L HN 0.672 nan 8.230 nan 0.000 0.414 702 L N 6.159 127.016 121.223 -0.610 0.000 2.272 702 L HA 0.577 4.737 4.340 -0.301 0.000 0.289 702 L C -0.786 175.953 176.870 -0.217 0.000 1.032 702 L CA -0.440 54.143 54.840 -0.427 0.000 0.810 702 L CB 1.502 43.439 42.059 -0.204 0.000 1.205 702 L HN 0.582 nan 8.230 nan 0.000 0.422 703 I N 3.849 124.309 120.570 -0.184 0.000 2.608 703 I HA 0.502 4.491 4.170 -0.301 0.000 0.295 703 I C -0.813 175.276 176.117 -0.047 0.000 1.049 703 I CA -0.757 60.472 61.300 -0.119 0.000 1.063 703 I CB 2.027 39.920 38.000 -0.179 0.000 1.248 703 I HN 0.522 nan 8.210 nan 0.000 0.424 704 H N 2.580 121.679 119.070 0.049 0.000 3.085 704 H HA 0.396 4.781 4.556 -0.287 0.000 0.356 704 H C -0.928 174.576 175.328 0.294 0.000 1.178 704 H CA -0.566 55.566 56.048 0.141 0.000 1.214 704 H CB 2.555 32.406 29.762 0.149 0.000 1.881 704 H HN 0.767 nan 8.280 nan 0.000 0.538 705 G N 1.051 110.131 108.800 0.466 0.000 2.325 705 G HA2 0.242 4.022 3.960 -0.301 0.000 0.298 705 G HA3 0.242 4.022 3.960 -0.301 0.000 0.298 705 G C 1.110 176.199 174.900 0.314 0.000 1.134 705 G CA 0.143 45.463 45.100 0.367 0.000 0.876 705 G HN 0.643 nan 8.290 nan 0.000 0.452 706 T N -0.345 114.232 114.554 0.038 0.000 2.977 706 T HA -0.004 4.166 4.350 -0.301 0.000 0.271 706 T C 1.718 176.280 174.700 -0.231 0.000 1.105 706 T CA 1.307 63.221 62.100 -0.309 0.000 1.116 706 T CB 0.130 68.692 68.868 -0.510 0.000 0.878 706 T HN 0.656 nan 8.240 nan 0.000 0.509 707 A N 1.031 123.800 122.820 -0.084 0.000 2.684 707 A HA 0.291 4.430 4.320 -0.301 0.000 0.288 707 A C 0.438 177.937 177.584 -0.143 0.000 1.337 707 A CA -0.514 51.443 52.037 -0.134 0.000 0.946 707 A CB -0.296 18.869 19.000 0.274 0.000 1.093 707 A HN 0.415 nan 8.150 nan 0.000 0.543 708 D N 1.349 121.692 120.400 -0.095 0.000 2.339 708 D HA 0.013 4.473 4.640 -0.301 0.000 0.256 708 D C 0.122 176.404 176.300 -0.031 0.000 1.214 708 D CA 0.097 54.167 54.000 0.116 0.000 0.877 708 D CB 0.811 41.851 40.800 0.400 0.000 1.111 708 D HN 0.528 nan 8.370 nan 0.000 0.478 709 D N 2.418 122.875 120.400 0.096 0.000 2.350 709 D HA -0.112 4.348 4.640 -0.301 0.000 0.213 709 D C 0.868 177.286 176.300 0.198 0.000 1.031 709 D CA -0.118 53.924 54.000 0.069 0.000 0.861 709 D CB 0.361 41.128 40.800 -0.055 0.000 0.926 709 D HN 0.225 nan 8.370 nan 0.000 0.520 710 N N 0.713 119.575 118.700 0.270 0.000 2.413 710 N HA -0.044 4.516 4.740 -0.301 0.000 0.193 710 N C -0.140 175.443 175.510 0.122 0.000 1.043 710 N CA 0.561 53.793 53.050 0.304 0.000 0.910 710 N CB 0.459 38.996 38.487 0.085 0.000 1.111 710 N HN -0.102 nan 8.380 nan 0.000 0.452 711 V N 3.094 123.008 119.914 0.000 0.000 2.294 711 V HA 0.240 4.180 4.120 -0.301 0.000 0.272 711 V C -0.579 175.614 176.094 0.165 0.000 1.027 711 V CA -0.559 61.786 62.300 0.075 0.000 0.823 711 V CB -0.143 31.735 31.823 0.091 0.000 1.030 711 V HN 0.299 nan 8.190 nan 0.000 0.457 712 H N 3.482 122.526 119.070 -0.042 0.000 2.972 712 H HA -0.048 4.328 4.556 -0.300 0.000 0.343 712 H C 0.836 175.958 175.328 -0.343 0.000 1.054 712 H CA -0.104 55.830 56.048 -0.190 0.000 1.412 712 H CB 0.800 30.379 29.762 -0.305 0.000 1.385 712 H HN 0.641 nan 8.280 nan 0.000 0.600 713 F N 2.367 122.076 119.950 -0.402 0.000 2.287 713 F HA -0.280 4.168 4.527 -0.133 0.000 0.301 713 F C 2.538 178.044 175.800 -0.490 0.000 1.069 713 F CA 1.674 59.276 58.000 -0.665 0.000 1.372 713 F CB -0.216 38.565 39.000 -0.366 0.000 1.056 713 F HN 0.662 nan 8.300 nan 0.000 0.523 714 Q N 0.225 119.809 119.800 -0.359 0.000 2.112 714 Q HA -0.288 3.871 4.340 -0.301 0.000 0.206 714 Q C 1.992 177.651 176.000 -0.567 0.000 0.987 714 Q CA 2.024 57.570 55.803 -0.428 0.000 0.858 714 Q CB -0.557 27.942 28.738 -0.397 0.000 0.905 714 Q HN 0.558 nan 8.270 nan 0.000 0.420 715 Q N 0.146 119.637 119.800 -0.515 0.000 2.096 715 Q HA -0.157 4.003 4.340 -0.301 0.000 0.208 715 Q C 2.260 178.075 176.000 -0.310 0.000 0.993 715 Q CA 2.025 57.621 55.803 -0.344 0.000 0.862 715 Q CB -0.170 28.474 28.738 -0.157 0.000 0.915 715 Q HN 0.405 nan 8.270 nan 0.000 0.416 716 S N 0.405 115.825 115.700 -0.467 0.000 2.446 716 S HA 0.044 4.333 4.470 -0.301 0.000 0.225 716 S C 1.988 176.330 174.600 -0.430 0.000 1.016 716 S CA 0.616 58.597 58.200 -0.365 0.000 0.943 716 S CB -0.005 63.012 63.200 -0.306 0.000 0.786 716 S HN 0.458 nan 8.310 nan 0.000 0.508 717 A N 1.613 124.037 122.820 -0.661 0.000 1.933 717 A HA -0.115 4.024 4.320 -0.301 0.000 0.218 717 A C 2.166 179.607 177.584 -0.237 0.000 1.175 717 A CA 1.053 52.822 52.037 -0.446 0.000 0.628 717 A CB -0.388 18.356 19.000 -0.428 0.000 0.814 717 A HN 0.351 nan 8.150 nan 0.000 0.444 718 Q N -0.961 118.694 119.800 -0.243 0.000 2.083 718 Q HA -0.108 4.051 4.340 -0.301 0.000 0.198 718 Q C 2.124 178.068 176.000 -0.094 0.000 0.969 718 Q CA 1.219 56.947 55.803 -0.124 0.000 0.838 718 Q CB -0.588 28.111 28.738 -0.065 0.000 0.900 718 Q HN 0.578 nan 8.270 nan 0.000 0.436 719 L N 1.467 122.618 121.223 -0.121 0.000 1.994 719 L HA -0.168 3.992 4.340 -0.301 0.000 0.208 719 L C 2.419 179.186 176.870 -0.171 0.000 1.071 719 L CA 2.558 57.309 54.840 -0.148 0.000 0.745 719 L CB -1.278 40.699 42.059 -0.137 0.000 0.892 719 L HN 0.257 nan 8.230 nan 0.000 0.431 720 S N -0.742 114.906 115.700 -0.086 0.000 2.383 720 S HA -0.320 3.969 4.470 -0.301 0.000 0.229 720 S C 2.151 176.778 174.600 0.044 0.000 1.030 720 S CA 1.619 59.864 58.200 0.076 0.000 1.002 720 S CB -0.712 62.609 63.200 0.202 0.000 0.829 720 S HN 0.594 nan 8.310 nan 0.000 0.467 721 K N 1.658 122.049 120.400 -0.015 0.000 2.026 721 K HA 0.044 4.184 4.320 -0.301 0.000 0.208 721 K C 2.342 178.922 176.600 -0.034 0.000 1.048 721 K CA 1.157 57.439 56.287 -0.009 0.000 0.929 721 K CB -0.738 31.747 32.500 -0.026 0.000 0.713 721 K HN 0.439 nan 8.250 nan 0.000 0.439 722 A N 1.165 123.939 122.820 -0.076 0.000 1.933 722 A HA -0.124 4.016 4.320 -0.301 0.000 0.218 722 A C 2.108 179.611 177.584 -0.135 0.000 1.175 722 A CA 1.371 53.352 52.037 -0.093 0.000 0.628 722 A CB -0.604 18.329 19.000 -0.113 0.000 0.814 722 A HN 0.337 nan 8.150 nan 0.000 0.444 723 L N -0.774 120.310 121.223 -0.232 0.000 2.056 723 L HA -0.125 4.035 4.340 -0.301 0.000 0.207 723 L C 2.507 179.328 176.870 -0.082 0.000 1.078 723 L CA 0.891 55.541 54.840 -0.317 0.000 0.749 723 L CB -0.574 40.978 42.059 -0.845 0.000 0.901 723 L HN 0.234 nan 8.230 nan 0.000 0.433 724 V N -0.059 119.885 119.914 0.049 0.000 2.407 724 V HA -0.293 3.647 4.120 -0.301 0.000 0.248 724 V C 2.004 178.130 176.094 0.055 0.000 1.055 724 V CA 1.856 64.230 62.300 0.123 0.000 1.049 724 V CB -0.506 31.389 31.823 0.120 0.000 0.662 724 V HN 0.438 nan 8.190 nan 0.000 0.455 725 D N 0.303 120.713 120.400 0.017 0.000 2.219 725 D HA -0.048 4.412 4.640 -0.301 0.000 0.205 725 D C 2.017 178.320 176.300 0.005 0.000 0.970 725 D CA 1.404 55.409 54.000 0.008 0.000 0.851 725 D CB -0.112 40.686 40.800 -0.004 0.000 0.943 725 D HN 0.482 nan 8.370 nan 0.000 0.488 726 A N -0.288 122.527 122.820 -0.007 0.000 2.218 726 A HA 0.393 4.532 4.320 -0.301 0.000 0.209 726 A C 1.770 179.369 177.584 0.024 0.000 1.168 726 A CA 1.012 53.048 52.037 -0.000 0.000 0.804 726 A CB -0.143 18.844 19.000 -0.022 0.000 0.834 726 A HN 0.221 nan 8.150 nan 0.000 0.482 727 G N -1.174 107.650 108.800 0.040 0.000 2.147 727 G HA2 -0.190 3.590 3.960 -0.301 0.000 0.244 727 G HA3 -0.190 3.590 3.960 -0.301 0.000 0.244 727 G C 0.133 175.087 174.900 0.089 0.000 1.005 727 G CA 0.184 45.322 45.100 0.064 0.000 0.713 727 G HN 0.737 nan 8.290 nan 0.000 0.515 728 V N 0.923 120.889 119.914 0.087 0.000 2.488 728 V HA 0.399 4.339 4.120 -0.301 0.000 0.277 728 V C 0.554 176.804 176.094 0.260 0.000 1.046 728 V CA -0.030 62.342 62.300 0.120 0.000 0.986 728 V CB 1.583 33.415 31.823 0.015 0.000 0.989 728 V HN 0.424 nan 8.190 nan 0.000 0.475 729 D N 4.741 125.305 120.400 0.273 0.000 2.264 729 D HA 0.574 5.034 4.640 -0.301 0.000 0.250 729 D C -0.611 175.994 176.300 0.507 0.000 1.113 729 D CA -0.003 54.203 54.000 0.344 0.000 0.871 729 D CB 0.735 41.658 40.800 0.205 0.000 1.167 729 D HN 0.313 nan 8.370 nan 0.000 0.447 730 F N 0.136 120.166 119.950 0.134 0.000 2.779 730 F HA 0.449 4.791 4.527 -0.307 0.000 0.316 730 F C -1.483 174.373 175.800 0.092 0.000 1.164 730 F CA -1.121 56.978 58.000 0.165 0.000 0.924 730 F CB 0.698 39.838 39.000 0.233 0.000 1.348 730 F HN 0.180 nan 8.300 nan 0.000 0.467 731 Q N 0.969 120.747 119.800 -0.037 0.000 2.282 731 Q HA 0.630 4.790 4.340 -0.301 0.000 0.260 731 Q C -1.173 174.641 176.000 -0.309 0.000 0.964 731 Q CA -0.640 55.044 55.803 -0.200 0.000 0.880 731 Q CB 2.326 31.024 28.738 -0.068 0.000 1.286 731 Q HN 0.844 nan 8.270 nan 0.000 0.445 732 T N 2.064 116.429 114.554 -0.315 0.000 2.907 732 T HA 0.659 4.829 4.350 -0.301 0.000 0.292 732 T C -1.399 173.161 174.700 -0.234 0.000 1.043 732 T CA -0.543 61.409 62.100 -0.246 0.000 1.003 732 T CB 1.055 69.781 68.868 -0.236 0.000 1.084 732 T HN 0.486 nan 8.240 nan 0.000 0.483 733 M N 3.910 123.369 119.600 -0.234 0.000 2.221 733 M HA 0.487 4.787 4.480 -0.301 0.000 0.259 733 M C -2.103 173.993 176.300 -0.341 0.000 1.001 733 M CA -0.701 54.333 55.300 -0.445 0.000 1.009 733 M CB 0.923 33.169 32.600 -0.590 0.000 1.939 733 M HN 0.716 nan 8.290 nan 0.000 0.477 734 W N 4.548 125.625 121.300 -0.371 0.000 2.436 734 W HA 0.783 5.402 4.660 -0.069 0.000 0.347 734 W C -2.023 174.175 176.519 -0.535 0.000 1.136 734 W CA -0.799 56.397 57.345 -0.248 0.000 1.286 734 W CB 0.436 29.807 29.460 -0.149 0.000 1.253 734 W HN 0.597 nan 8.180 nan 0.000 0.617 735 Y N 2.036 122.443 120.300 0.179 0.000 2.363 735 Y HA 0.294 4.665 4.550 -0.299 0.000 0.325 735 Y C 0.313 176.294 175.900 0.135 0.000 0.984 735 Y CA -1.364 56.750 58.100 0.024 0.000 1.248 735 Y CB 1.491 39.925 38.460 -0.044 0.000 1.116 735 Y HN 0.435 nan 8.280 nan 0.000 0.470 736 T N 4.799 119.510 114.554 0.261 0.000 2.792 736 T HA -0.000 4.169 4.350 -0.301 0.000 0.286 736 T C 0.114 174.825 174.700 0.020 0.000 0.970 736 T CA 0.619 62.774 62.100 0.091 0.000 1.187 736 T CB -0.176 68.693 68.868 0.001 0.000 0.915 736 T HN 0.690 nan 8.240 nan 0.000 0.529 737 D N 0.876 121.251 120.400 -0.040 0.000 3.079 737 D HA -0.123 4.336 4.640 -0.301 0.000 0.214 737 D C 0.254 176.604 176.300 0.084 0.000 1.145 737 D CA 1.081 54.992 54.000 -0.149 0.000 0.958 737 D CB -0.387 40.137 40.800 -0.461 0.000 1.117 737 D HN 0.582 nan 8.370 nan 0.000 0.416 738 E N 0.942 121.224 120.200 0.138 0.000 2.313 738 E HA 0.289 4.458 4.350 -0.301 0.000 0.272 738 E C 0.795 177.533 176.600 0.230 0.000 1.038 738 E CA -0.300 56.213 56.400 0.188 0.000 0.863 738 E CB 1.286 31.088 29.700 0.169 0.000 1.060 738 E HN 0.318 nan 8.360 nan 0.000 0.402 739 D N 0.086 120.648 120.400 0.269 0.000 2.446 739 D HA -0.036 4.424 4.640 -0.301 0.000 0.288 739 D C 1.123 177.641 176.300 0.364 0.000 1.195 739 D CA -0.071 54.117 54.000 0.313 0.000 1.095 739 D CB -0.225 40.790 40.800 0.357 0.000 1.153 739 D HN 0.404 nan 8.370 nan 0.000 0.568 740 H N -1.539 117.702 119.070 0.284 0.000 2.489 740 H HA 0.103 4.476 4.556 -0.305 0.000 0.293 740 H C 1.879 177.482 175.328 0.458 0.000 1.066 740 H CA 1.994 58.239 56.048 0.328 0.000 1.305 740 H CB -0.403 29.544 29.762 0.309 0.000 1.386 740 H HN 0.483 nan 8.280 nan 0.000 0.551 741 G N -0.316 108.680 108.800 0.326 0.000 2.539 741 G HA2 0.019 3.799 3.960 -0.301 0.000 0.215 741 G HA3 0.019 3.799 3.960 -0.301 0.000 0.215 741 G C 0.648 175.775 174.900 0.379 0.000 1.141 741 G CA 0.330 45.552 45.100 0.204 0.000 0.806 741 G HN 0.504 nan 8.290 nan 0.000 0.533 742 I N 0.019 120.788 120.570 0.330 0.000 6.697 742 I HA -0.305 3.684 4.170 -0.301 0.000 0.126 742 I C 1.504 177.736 176.117 0.190 0.000 1.764 742 I CA 0.124 61.557 61.300 0.222 0.000 2.245 742 I CB -1.461 36.654 38.000 0.191 0.000 3.404 742 I HN 0.265 nan 8.210 nan 0.000 0.228 743 A N 0.878 123.780 122.820 0.138 0.000 2.308 743 A HA 0.266 4.406 4.320 -0.301 0.000 0.217 743 A C 1.267 178.882 177.584 0.052 0.000 1.216 743 A CA 0.632 52.704 52.037 0.059 0.000 0.864 743 A CB 0.085 19.093 19.000 0.013 0.000 0.902 743 A HN 0.688 nan 8.150 nan 0.000 0.499 744 S N -0.108 115.641 115.700 0.080 0.000 2.576 744 S HA 0.012 4.302 4.470 -0.301 0.000 0.272 744 S C 0.962 175.607 174.600 0.074 0.000 1.352 744 S CA 0.340 58.584 58.200 0.074 0.000 1.021 744 S CB 0.443 63.691 63.200 0.081 0.000 0.887 744 S HN 0.444 nan 8.310 nan 0.000 0.542 745 N N 1.719 120.456 118.700 0.062 0.000 2.007 745 N HA -0.172 4.388 4.740 -0.301 0.000 0.197 745 N C 1.728 177.290 175.510 0.087 0.000 1.050 745 N CA 2.425 55.515 53.050 0.067 0.000 0.856 745 N CB -0.396 38.117 38.487 0.043 0.000 1.050 745 N HN 0.666 nan 8.380 nan 0.000 0.423 746 M N 0.080 119.719 119.600 0.065 0.000 2.175 746 M HA 0.054 4.354 4.480 -0.301 0.000 0.264 746 M C 2.209 178.548 176.300 0.065 0.000 1.063 746 M CA 1.228 56.568 55.300 0.065 0.000 1.119 746 M CB -1.602 31.032 32.600 0.057 0.000 1.377 746 M HN 0.313 nan 8.290 nan 0.000 0.415 747 A N -0.397 122.438 122.820 0.024 0.000 1.845 747 A HA -0.242 3.898 4.320 -0.301 0.000 0.215 747 A C 2.056 179.575 177.584 -0.109 0.000 1.195 747 A CA 2.346 54.315 52.037 -0.112 0.000 0.616 747 A CB -1.255 17.660 19.000 -0.141 0.000 0.832 747 A HN 0.560 nan 8.150 nan 0.000 0.443 748 H N 0.053 119.084 119.070 -0.065 0.000 2.292 748 H HA -0.237 4.138 4.556 -0.303 0.000 0.292 748 H C 2.137 177.515 175.328 0.084 0.000 1.100 748 H CA 2.629 58.700 56.048 0.038 0.000 1.238 748 H CB -0.411 29.392 29.762 0.069 0.000 1.355 748 H HN 0.635 nan 8.280 nan 0.000 0.484 749 Q N -1.060 118.709 119.800 -0.052 0.000 2.030 749 Q HA -0.229 3.931 4.340 -0.301 0.000 0.204 749 Q C 2.377 178.330 176.000 -0.079 0.000 0.986 749 Q CA 1.493 57.225 55.803 -0.117 0.000 0.843 749 Q CB -0.405 28.309 28.738 -0.039 0.000 0.904 749 Q HN 0.646 nan 8.270 nan 0.000 0.420 750 H N 0.832 119.845 119.070 -0.095 0.000 2.319 750 H HA -0.126 4.253 4.556 -0.295 0.000 0.299 750 H C 2.026 177.324 175.328 -0.050 0.000 1.092 750 H CA 1.566 57.590 56.048 -0.039 0.000 1.302 750 H CB -0.145 29.640 29.762 0.039 0.000 1.373 750 H HN 0.282 nan 8.280 nan 0.000 0.497 751 I N -0.001 120.520 120.570 -0.082 0.000 2.252 751 I HA -0.316 3.673 4.170 -0.301 0.000 0.245 751 I C 1.772 177.665 176.117 -0.374 0.000 1.102 751 I CA 1.234 62.418 61.300 -0.193 0.000 1.385 751 I CB -0.251 37.447 38.000 -0.502 0.000 1.064 751 I HN 0.145 nan 8.210 nan 0.000 0.414 752 Y N 0.823 120.922 120.300 -0.335 0.000 2.314 752 Y HA -0.179 4.193 4.550 -0.296 0.000 0.293 752 Y C 2.704 178.409 175.900 -0.325 0.000 1.129 752 Y CA 1.639 59.416 58.100 -0.539 0.000 1.201 752 Y CB -0.884 37.237 38.460 -0.566 0.000 0.999 752 Y HN 0.132 nan 8.280 nan 0.000 0.541 753 T N -1.474 112.987 114.554 -0.154 0.000 2.643 753 T HA -0.247 3.922 4.350 -0.301 0.000 0.264 753 T C 1.595 176.094 174.700 -0.335 0.000 1.045 753 T CA 1.938 63.870 62.100 -0.281 0.000 1.155 753 T CB -0.544 68.136 68.868 -0.314 0.000 0.863 753 T HN 0.409 nan 8.240 nan 0.000 0.420 754 H N 0.798 119.692 119.070 -0.293 0.000 2.353 754 H HA -0.002 4.378 4.556 -0.294 0.000 0.298 754 H C 2.185 177.482 175.328 -0.051 0.000 1.103 754 H CA 1.764 57.724 56.048 -0.148 0.000 1.293 754 H CB -0.246 29.476 29.762 -0.066 0.000 1.372 754 H HN 0.281 nan 8.280 nan 0.000 0.501 755 M N -0.945 118.628 119.600 -0.045 0.000 2.132 755 M HA -0.159 4.140 4.480 -0.301 0.000 0.263 755 M C 2.450 178.896 176.300 0.242 0.000 1.065 755 M CA 1.518 56.810 55.300 -0.013 0.000 1.122 755 M CB -0.018 32.358 32.600 -0.373 0.000 1.365 755 M HN 0.211 nan 8.290 nan 0.000 0.411 756 S N -0.446 115.424 115.700 0.283 0.000 2.348 756 S HA -0.175 4.115 4.470 -0.301 0.000 0.221 756 S C 1.618 176.371 174.600 0.255 0.000 1.033 756 S CA 1.312 59.743 58.200 0.384 0.000 1.010 756 S CB -0.817 62.595 63.200 0.353 0.000 0.891 756 S HN 0.552 nan 8.310 nan 0.000 0.442 757 H N -0.503 118.628 119.070 0.102 0.000 2.321 757 H HA -0.169 4.206 4.556 -0.301 0.000 0.295 757 H C 2.050 177.390 175.328 0.019 0.000 1.102 757 H CA 1.745 57.807 56.048 0.024 0.000 1.266 757 H CB -0.255 29.468 29.762 -0.064 0.000 1.363 757 H HN 0.416 nan 8.280 nan 0.000 0.492 758 F N 1.163 121.110 119.950 -0.005 0.000 2.075 758 F HA -0.193 4.157 4.527 -0.294 0.000 0.297 758 F C 2.384 178.172 175.800 -0.019 0.000 1.113 758 F CA 1.042 59.016 58.000 -0.044 0.000 1.218 758 F CB -0.479 38.471 39.000 -0.083 0.000 0.984 758 F HN 0.057 nan 8.300 nan 0.000 0.472 759 L N 0.566 121.854 121.223 0.109 0.000 2.079 759 L HA -0.260 3.900 4.340 -0.301 0.000 0.210 759 L C 2.197 178.931 176.870 -0.226 0.000 1.081 759 L CA 1.865 56.625 54.840 -0.133 0.000 0.752 759 L CB -0.532 41.540 42.059 0.021 0.000 0.896 759 L HN 0.278 nan 8.230 nan 0.000 0.433 760 K N -0.675 119.709 120.400 -0.026 0.000 2.155 760 K HA -0.189 3.950 4.320 -0.301 0.000 0.203 760 K C 2.018 178.624 176.600 0.010 0.000 1.052 760 K CA 1.320 57.635 56.287 0.045 0.000 0.948 760 K CB -0.070 32.502 32.500 0.121 0.000 0.728 760 K HN 0.529 nan 8.250 nan 0.000 0.448 761 Q N 0.812 120.566 119.800 -0.076 0.000 2.187 761 Q HA -0.142 4.018 4.340 -0.301 0.000 0.199 761 Q C 2.296 178.231 176.000 -0.108 0.000 0.957 761 Q CA 1.406 57.158 55.803 -0.085 0.000 0.857 761 Q CB -0.505 28.163 28.738 -0.117 0.000 0.929 761 Q HN 0.346 nan 8.270 nan 0.000 0.453 762 c N 0.328 118.782 118.600 -0.244 0.000 2.446 762 c HA -0.025 4.365 4.570 -0.301 0.000 0.277 762 c C 1.965 176.130 174.090 0.125 0.000 1.275 762 c CA 0.199 56.411 56.329 -0.195 0.000 1.727 762 c CB -1.184 41.060 42.510 -0.443 0.000 2.010 762 c HN 0.584 nan 8.230 nan 0.000 0.486 763 F N 1.886 121.809 119.950 -0.046 0.000 2.773 763 F HA 0.220 4.568 4.527 -0.298 0.000 0.304 763 F C 1.815 177.609 175.800 -0.011 0.000 1.129 763 F CA 0.557 58.553 58.000 -0.008 0.000 1.378 763 F CB -1.266 37.741 39.000 0.012 0.000 1.095 763 F HN 0.308 nan 8.300 nan 0.000 0.565 764 S N 0.072 115.862 115.700 0.151 0.000 3.358 764 S HA -0.226 4.063 4.470 -0.301 0.000 0.309 764 S C 0.454 175.095 174.600 0.069 0.000 1.247 764 S CA 0.202 58.446 58.200 0.075 0.000 0.961 764 S CB -2.055 61.177 63.200 0.053 0.000 1.074 764 S HN 0.256 nan 8.310 nan 0.000 0.625 765 L N 2.661 123.946 121.223 0.104 0.000 2.416 765 L HA 0.247 4.406 4.340 -0.301 0.000 0.272 765 L C -0.666 176.240 176.870 0.060 0.000 1.161 765 L CA -1.523 53.367 54.840 0.085 0.000 0.845 765 L CB -0.163 41.967 42.059 0.118 0.000 1.119 765 L HN 0.106 nan 8.230 nan 0.000 0.464 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.119 63.100 0.032 0.000 0.800 766 P CB 0.000 31.716 31.700 0.027 0.000 0.726