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_D 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 0.000 174.647 174.600 0.079 0.000 1.055 39 S CA 0.000 58.242 58.200 0.070 0.000 1.107 39 S CB 0.000 63.235 63.200 0.059 0.000 0.593 40 R N 2.371 122.925 120.500 0.089 0.000 2.587 40 R HA 0.105 4.445 4.340 -0.001 0.000 0.268 40 R C 0.028 176.384 176.300 0.094 0.000 0.978 40 R CA 0.585 56.737 56.100 0.087 0.000 1.097 40 R CB 0.323 30.675 30.300 0.086 0.000 0.917 40 R HN 0.405 nan 8.270 nan 0.000 0.414 41 R N 0.755 121.316 120.500 0.102 0.000 2.774 41 R HA 0.114 4.453 4.340 -0.001 0.000 0.269 41 R C 0.280 176.662 176.300 0.137 0.000 1.068 41 R CA 0.228 56.401 56.100 0.121 0.000 1.180 41 R CB 0.334 30.722 30.300 0.147 0.000 1.077 41 R HN 0.700 nan 8.270 nan 0.000 0.513 42 T N -2.379 112.268 114.554 0.155 0.000 2.938 42 T HA 0.230 4.580 4.350 -0.001 0.000 0.285 42 T C -0.854 174.008 174.700 0.270 0.000 1.028 42 T CA -0.753 61.456 62.100 0.182 0.000 1.005 42 T CB 0.830 69.795 68.868 0.161 0.000 1.157 42 T HN 0.477 nan 8.240 nan 0.000 0.550 43 Y N 2.490 122.897 120.300 0.178 0.000 2.452 43 Y HA 0.404 4.953 4.550 -0.001 0.000 0.348 43 Y C 0.950 177.027 175.900 0.295 0.000 0.985 43 Y CA -0.335 57.922 58.100 0.262 0.000 1.214 43 Y CB 0.092 38.678 38.460 0.210 0.000 1.136 43 Y HN 1.029 nan 8.280 nan 0.000 0.523 44 T N 2.600 117.145 114.554 -0.015 0.000 2.862 44 T HA 0.143 4.493 4.350 -0.001 0.000 0.276 44 T C 0.928 175.515 174.700 -0.189 0.000 0.974 44 T CA -0.738 61.378 62.100 0.026 0.000 0.966 44 T CB 1.163 70.014 68.868 -0.029 0.000 1.072 44 T HN 0.672 nan 8.240 nan 0.000 0.538 45 L N 0.838 121.799 121.223 -0.436 0.000 2.093 45 L HA 0.057 4.396 4.340 -0.001 0.000 0.208 45 L C 2.512 179.229 176.870 -0.255 0.000 1.085 45 L CA 2.028 56.463 54.840 -0.676 0.000 0.755 45 L CB -1.565 39.986 42.059 -0.847 0.000 0.904 45 L HN 0.941 nan 8.230 nan 0.000 0.435 46 T N -0.456 113.976 114.554 -0.204 0.000 2.821 46 T HA -0.140 4.210 4.350 -0.001 0.000 0.267 46 T C 1.476 176.056 174.700 -0.199 0.000 1.046 46 T CA 1.379 63.384 62.100 -0.158 0.000 1.139 46 T CB -0.358 68.438 68.868 -0.120 0.000 0.871 46 T HN 0.395 nan 8.240 nan 0.000 0.454 47 D N 0.300 120.528 120.400 -0.286 0.000 2.104 47 D HA -0.111 4.529 4.640 -0.001 0.000 0.194 47 D C 1.766 177.906 176.300 -0.265 0.000 0.994 47 D CA 1.205 54.960 54.000 -0.408 0.000 0.830 47 D CB -0.397 39.993 40.800 -0.682 0.000 0.959 47 D HN 0.443 nan 8.370 nan 0.000 0.452 48 Y N 1.467 121.561 120.300 -0.343 0.000 2.133 48 Y HA -0.093 4.457 4.550 -0.001 0.000 0.287 48 Y C 2.278 178.170 175.900 -0.014 0.000 1.134 48 Y CA 1.169 59.255 58.100 -0.024 0.000 1.133 48 Y CB -0.551 37.976 38.460 0.112 0.000 0.987 48 Y HN -0.119 nan 8.280 nan 0.000 0.502 49 L N 0.216 121.280 121.223 -0.264 0.000 2.083 49 L HA -0.206 4.133 4.340 -0.001 0.000 0.209 49 L C 1.751 178.505 176.870 -0.193 0.000 1.083 49 L CA 1.701 56.358 54.840 -0.305 0.000 0.752 49 L CB -0.438 41.516 42.059 -0.174 0.000 0.899 49 L HN 0.139 nan 8.230 nan 0.000 0.433 50 K N -0.434 119.871 120.400 -0.159 0.000 2.437 50 K HA 0.165 4.484 4.320 -0.001 0.000 0.205 50 K C 0.316 176.842 176.600 -0.123 0.000 1.026 50 K CA -0.087 56.124 56.287 -0.126 0.000 1.153 50 K CB 0.554 32.983 32.500 -0.118 0.000 0.863 50 K HN 0.017 nan 8.250 nan 0.000 0.502 51 S N 1.672 117.303 115.700 -0.113 0.000 3.336 51 S HA -0.157 4.313 4.470 -0.001 0.000 0.362 51 S C 1.295 175.849 174.600 -0.077 0.000 0.941 51 S CA 1.005 59.186 58.200 -0.032 0.000 1.297 51 S CB -1.380 61.811 63.200 -0.015 0.000 0.915 51 S HN 0.700 nan 8.310 nan 0.000 0.527 52 T N -2.289 112.134 114.554 -0.219 0.000 3.007 52 T HA 0.047 4.396 4.350 -0.001 0.000 0.270 52 T C 0.276 174.701 174.700 -0.458 0.000 1.107 52 T CA 0.720 62.569 62.100 -0.418 0.000 1.118 52 T CB -0.305 68.155 68.868 -0.679 0.000 0.889 52 T HN 0.355 nan 8.240 nan 0.000 0.506 53 F N 1.811 121.843 119.950 0.136 0.000 2.366 53 F HA 0.622 5.149 4.527 -0.001 0.000 0.366 53 F C 0.169 176.063 175.800 0.157 0.000 1.096 53 F CA -1.636 56.465 58.000 0.168 0.000 1.060 53 F CB 0.972 40.134 39.000 0.271 0.000 1.282 53 F HN -0.253 nan 8.300 nan 0.000 0.450 54 R N 1.528 122.176 120.500 0.247 0.000 2.298 54 R HA 0.460 4.800 4.340 -0.001 0.000 0.310 54 R C -0.745 175.660 176.300 0.174 0.000 1.068 54 R CA -0.339 55.864 56.100 0.171 0.000 0.957 54 R CB 0.777 31.122 30.300 0.074 0.000 1.003 54 R HN 0.379 nan 8.270 nan 0.000 0.454 55 V N 5.137 125.175 119.914 0.207 0.000 2.408 55 V HA 0.161 4.281 4.120 -0.001 0.000 0.267 55 V C 0.496 176.681 176.094 0.152 0.000 1.047 55 V CA -0.341 62.091 62.300 0.220 0.000 0.937 55 V CB 0.792 32.814 31.823 0.333 0.000 0.999 55 V HN 0.607 nan 8.190 nan 0.000 0.472 56 K N 4.662 125.092 120.400 0.050 0.000 2.154 56 K HA 0.610 4.929 4.320 -0.001 0.000 0.264 56 K C -0.588 175.980 176.600 -0.055 0.000 1.008 56 K CA -0.127 56.074 56.287 -0.144 0.000 0.937 56 K CB 1.099 33.520 32.500 -0.131 0.000 1.002 56 K HN 0.598 nan 8.250 nan 0.000 0.469 57 F N -0.982 118.895 119.950 -0.121 0.000 2.706 57 F HA 0.477 5.004 4.527 -0.001 0.000 0.328 57 F C -1.334 174.175 175.800 -0.485 0.000 1.123 57 F CA -1.383 56.319 58.000 -0.497 0.000 0.978 57 F CB 0.730 39.567 39.000 -0.271 0.000 1.404 57 F HN 0.349 nan 8.300 nan 0.000 0.497 58 Y N 0.913 120.848 120.300 -0.607 0.000 2.445 58 Y HA 0.512 5.062 4.550 -0.001 0.000 0.332 58 Y C -0.985 174.790 175.900 -0.210 0.000 1.037 58 Y CA -0.701 57.189 58.100 -0.351 0.000 1.296 58 Y CB 1.213 39.372 38.460 -0.501 0.000 1.099 58 Y HN 0.767 nan 8.280 nan 0.000 0.496 59 T N 6.640 121.189 114.554 -0.008 0.000 2.806 59 T HA 0.619 4.968 4.350 -0.001 0.000 0.290 59 T C -0.723 173.913 174.700 -0.106 0.000 0.966 59 T CA -0.433 61.665 62.100 -0.003 0.000 1.060 59 T CB 0.754 69.661 68.868 0.064 0.000 0.927 59 T HN 0.516 nan 8.240 nan 0.000 0.485 60 L N 0.786 121.909 121.223 -0.166 0.000 2.359 60 L HA 0.722 5.062 4.340 -0.001 0.000 0.256 60 L C -1.038 175.733 176.870 -0.165 0.000 1.026 60 L CA -1.082 53.586 54.840 -0.287 0.000 0.828 60 L CB 1.752 43.264 42.059 -0.910 0.000 1.406 60 L HN 0.487 nan 8.230 nan 0.000 0.413 61 Q N 0.890 120.644 119.800 -0.076 0.000 2.320 61 Q HA 0.367 4.706 4.340 -0.001 0.000 0.268 61 Q C -1.862 174.204 176.000 0.111 0.000 1.023 61 Q CA -0.209 55.631 55.803 0.062 0.000 0.744 61 Q CB 1.617 30.443 28.738 0.146 0.000 1.246 61 Q HN 0.671 nan 8.270 nan 0.000 0.462 62 W N 4.414 125.826 121.300 0.187 0.000 2.446 62 W HA 0.119 4.778 4.660 -0.001 0.000 0.316 62 W C 1.356 177.976 176.519 0.170 0.000 1.376 62 W CA -0.298 57.172 57.345 0.207 0.000 1.300 62 W CB 0.414 29.995 29.460 0.201 0.000 1.351 62 W HN 0.692 nan 8.180 nan 0.000 0.530 63 I N 0.501 121.307 120.570 0.393 0.000 3.854 63 I HA 0.159 4.329 4.170 -0.001 0.000 0.312 63 I C 0.987 177.245 176.117 0.236 0.000 1.273 63 I CA 0.244 61.693 61.300 0.247 0.000 1.298 63 I CB -0.032 38.048 38.000 0.134 0.000 1.071 63 I HN 0.271 nan 8.210 nan 0.000 0.428 64 S N 1.086 116.962 115.700 0.293 0.000 3.331 64 S HA 0.317 4.787 4.470 -0.001 0.000 0.316 64 S C 0.037 174.802 174.600 0.274 0.000 1.104 64 S CA 0.191 58.540 58.200 0.249 0.000 0.977 64 S CB 0.914 64.241 63.200 0.213 0.000 1.370 64 S HN 0.313 nan 8.310 nan 0.000 0.731 65 D N -0.517 120.059 120.400 0.293 0.000 2.369 65 D HA 0.125 4.764 4.640 -0.001 0.000 0.211 65 D C 0.936 177.441 176.300 0.342 0.000 1.077 65 D CA 0.424 54.563 54.000 0.232 0.000 0.842 65 D CB -0.300 40.628 40.800 0.214 0.000 0.947 65 D HN 0.763 nan 8.370 nan 0.000 0.509 66 H N -1.380 117.830 119.070 0.234 0.000 3.394 66 H HA 0.416 4.972 4.556 -0.001 0.000 0.256 66 H C -0.791 174.677 175.328 0.234 0.000 1.180 66 H CA -0.386 55.752 56.048 0.150 0.000 1.064 66 H CB -0.241 29.578 29.762 0.094 0.000 1.854 66 H HN 0.073 nan 8.280 nan 0.000 0.731 67 E N 0.852 121.091 120.200 0.065 0.000 2.393 67 E HA 0.473 4.822 4.350 -0.001 0.000 0.273 67 E C -1.626 175.093 176.600 0.198 0.000 0.918 67 E CA -1.229 55.138 56.400 -0.055 0.000 0.773 67 E CB 2.874 32.416 29.700 -0.264 0.000 1.275 67 E HN 0.250 nan 8.360 nan 0.000 0.451 68 Y N -1.055 119.209 120.300 -0.060 0.000 2.609 68 Y HA 0.575 5.124 4.550 -0.001 0.000 0.336 68 Y C -1.974 173.921 175.900 -0.008 0.000 1.129 68 Y CA -1.339 56.657 58.100 -0.173 0.000 1.040 68 Y CB 0.665 38.673 38.460 -0.754 0.000 1.310 68 Y HN 0.406 nan 8.280 nan 0.000 0.460 69 L N 3.209 124.630 121.223 0.329 0.000 2.343 69 L HA 0.525 4.865 4.340 -0.001 0.000 0.275 69 L C -1.283 175.891 176.870 0.507 0.000 1.056 69 L CA -0.997 54.023 54.840 0.301 0.000 0.804 69 L CB 1.517 43.658 42.059 0.138 0.000 1.203 69 L HN 0.777 nan 8.230 nan 0.000 0.440 70 Y N 2.515 123.014 120.300 0.331 0.000 2.442 70 Y HA 0.313 4.863 4.550 -0.001 0.000 0.330 70 Y C -0.836 175.189 175.900 0.209 0.000 1.100 70 Y CA -1.443 56.788 58.100 0.219 0.000 1.034 70 Y CB 1.491 40.087 38.460 0.227 0.000 1.285 70 Y HN 0.442 nan 8.280 nan 0.000 0.440 71 K N 4.105 124.390 120.400 -0.191 0.000 2.143 71 K HA 0.476 4.796 4.320 -0.001 0.000 0.272 71 K C -1.189 175.000 176.600 -0.685 0.000 1.001 71 K CA -0.470 55.675 56.287 -0.235 0.000 0.915 71 K CB 0.904 33.392 32.500 -0.021 0.000 1.047 71 K HN 0.844 nan 8.250 nan 0.000 0.458 72 Q N 3.193 122.741 119.800 -0.420 0.000 2.444 72 Q HA 0.079 4.418 4.340 -0.001 0.000 0.239 72 Q C -1.385 174.494 176.000 -0.201 0.000 0.853 72 Q CA -0.063 55.512 55.803 -0.380 0.000 0.856 72 Q CB 0.957 29.509 28.738 -0.309 0.000 1.413 72 Q HN 0.812 nan 8.270 nan 0.000 0.437 73 E N 2.579 122.663 120.200 -0.194 0.000 3.070 73 E HA -0.303 4.047 4.350 -0.001 0.000 0.285 73 E C -0.679 175.814 176.600 -0.179 0.000 0.972 73 E CA 0.675 56.985 56.400 -0.149 0.000 0.915 73 E CB -0.976 28.667 29.700 -0.095 0.000 1.466 73 E HN 0.909 nan 8.360 nan 0.000 0.432 74 N N -1.281 117.265 118.700 -0.257 0.000 2.921 74 N HA -0.140 4.599 4.740 -0.001 0.000 0.248 74 N C -1.200 174.162 175.510 -0.247 0.000 1.118 74 N CA 1.185 53.987 53.050 -0.415 0.000 0.740 74 N CB -1.565 36.658 38.487 -0.441 0.000 1.091 74 N HN 0.401 nan 8.380 nan 0.000 0.553 75 N N 0.663 119.300 118.700 -0.106 0.000 2.399 75 N HA 0.509 5.249 4.740 -0.001 0.000 0.280 75 N C -0.196 175.349 175.510 0.059 0.000 1.008 75 N CA -0.458 52.615 53.050 0.039 0.000 0.894 75 N CB 1.568 40.063 38.487 0.014 0.000 1.273 75 N HN 0.116 nan 8.380 nan 0.000 0.486 76 I N 2.912 123.570 120.570 0.146 0.000 2.452 76 I HA 0.193 4.362 4.170 -0.001 0.000 0.287 76 I C -0.220 175.984 176.117 0.146 0.000 1.079 76 I CA -0.191 61.165 61.300 0.093 0.000 1.387 76 I CB 0.175 38.158 38.000 -0.028 0.000 1.404 76 I HN 0.277 nan 8.210 nan 0.000 0.522 77 L N 6.531 127.855 121.223 0.170 0.000 2.303 77 L HA 0.595 4.934 4.340 -0.001 0.000 0.266 77 L C -0.773 176.172 176.870 0.126 0.000 1.011 77 L CA -1.053 53.857 54.840 0.116 0.000 0.818 77 L CB 2.019 44.121 42.059 0.072 0.000 1.326 77 L HN 0.393 nan 8.230 nan 0.000 0.435 78 L N 1.530 122.715 121.223 -0.063 0.000 2.353 78 L HA 0.500 4.840 4.340 -0.001 0.000 0.270 78 L C -1.261 175.444 176.870 -0.275 0.000 1.003 78 L CA 0.134 54.942 54.840 -0.053 0.000 0.862 78 L CB 0.586 42.677 42.059 0.052 0.000 1.221 78 L HN 0.207 nan 8.230 nan 0.000 0.430 79 F N 3.474 123.179 119.950 -0.408 0.000 2.420 79 F HA 0.348 4.874 4.527 -0.001 0.000 0.352 79 F C 1.141 176.625 175.800 -0.527 0.000 1.108 79 F CA -0.256 57.419 58.000 -0.542 0.000 1.162 79 F CB 0.833 39.262 39.000 -0.951 0.000 1.118 79 F HN 0.497 nan 8.300 nan 0.000 0.510 80 N N 3.637 122.256 118.700 -0.135 0.000 2.719 80 N HA 0.274 5.014 4.740 -0.001 0.000 0.243 80 N C -0.116 175.381 175.510 -0.022 0.000 1.104 80 N CA -0.150 52.867 53.050 -0.054 0.000 0.981 80 N CB 0.555 39.097 38.487 0.092 0.000 1.290 80 N HN 0.794 nan 8.380 nan 0.000 0.513 81 A N 2.020 124.755 122.820 -0.141 0.000 2.672 81 A HA -0.098 4.221 4.320 -0.001 0.000 0.232 81 A C 1.105 178.528 177.584 -0.267 0.000 1.121 81 A CA 1.322 53.236 52.037 -0.205 0.000 0.829 81 A CB -0.066 18.710 19.000 -0.374 0.000 1.027 81 A HN 0.913 nan 8.150 nan 0.000 0.515 82 E N -1.273 118.794 120.200 -0.223 0.000 4.182 82 E HA -0.340 4.010 4.350 -0.001 0.000 0.183 82 E C 1.040 177.541 176.600 -0.166 0.000 1.205 82 E CA 1.958 58.239 56.400 -0.199 0.000 2.410 82 E CB -1.574 27.888 29.700 -0.396 0.000 1.780 82 E HN 0.782 nan 8.360 nan 0.000 0.434 83 Y N 0.149 120.471 120.300 0.037 0.000 2.293 83 Y HA 0.096 4.645 4.550 -0.001 0.000 0.291 83 Y C 2.438 178.353 175.900 0.025 0.000 1.137 83 Y CA 2.019 60.138 58.100 0.032 0.000 1.202 83 Y CB -0.250 38.228 38.460 0.031 0.000 0.990 83 Y HN 0.607 nan 8.280 nan 0.000 0.537 84 G N -0.107 108.788 108.800 0.159 0.000 2.363 84 G HA2 -0.357 3.603 3.960 -0.001 0.000 0.238 84 G HA3 -0.357 3.603 3.960 -0.001 0.000 0.238 84 G C 0.327 175.308 174.900 0.134 0.000 1.062 84 G CA 0.115 45.298 45.100 0.139 0.000 0.629 84 G HN 0.522 nan 8.290 nan 0.000 0.514 85 N N 1.255 120.016 118.700 0.103 0.000 2.292 85 N HA 0.331 5.071 4.740 -0.001 0.000 0.242 85 N C -0.148 175.309 175.510 -0.087 0.000 1.243 85 N CA 1.271 54.330 53.050 0.014 0.000 0.851 85 N CB 0.738 39.226 38.487 0.002 0.000 1.093 85 N HN 1.334 nan 8.380 nan 0.000 0.450 86 S N -1.296 114.282 115.700 -0.204 0.000 2.668 86 S HA 0.436 4.906 4.470 -0.001 0.000 0.277 86 S C -0.425 173.979 174.600 -0.326 0.000 1.170 86 S CA -1.003 56.928 58.200 -0.449 0.000 0.994 86 S CB 0.843 63.378 63.200 -1.109 0.000 1.051 86 S HN 0.861 nan 8.310 nan 0.000 0.484 87 S N 2.749 118.302 115.700 -0.244 0.000 2.693 87 S HA 0.733 5.202 4.470 -0.001 0.000 0.276 87 S C -0.096 174.434 174.600 -0.116 0.000 1.192 87 S CA -1.002 57.113 58.200 -0.142 0.000 0.994 87 S CB 0.174 63.325 63.200 -0.082 0.000 1.012 87 S HN 0.737 nan 8.310 nan 0.000 0.550 88 I N 2.073 122.605 120.570 -0.064 0.000 2.312 88 I HA 0.254 4.423 4.170 -0.001 0.000 0.291 88 I C 0.278 176.411 176.117 0.028 0.000 1.031 88 I CA -0.318 60.972 61.300 -0.016 0.000 1.293 88 I CB 0.654 38.638 38.000 -0.026 0.000 1.403 88 I HN 0.766 nan 8.210 nan 0.000 0.484 89 F N 7.353 127.267 119.950 -0.059 0.000 2.387 89 F HA 0.295 4.821 4.527 -0.001 0.000 0.294 89 F C 0.172 175.944 175.800 -0.047 0.000 1.093 89 F CA 0.430 58.400 58.000 -0.050 0.000 1.420 89 F CB 0.530 39.506 39.000 -0.040 0.000 1.086 89 F HN 0.321 nan 8.300 nan 0.000 0.531 90 L N 0.745 122.057 121.223 0.147 0.000 2.705 90 L HA 0.292 4.632 4.340 -0.001 0.000 0.260 90 L C -1.622 175.298 176.870 0.083 0.000 0.921 90 L CA -0.501 54.373 54.840 0.057 0.000 0.948 90 L CB 1.467 43.571 42.059 0.075 0.000 1.427 90 L HN 0.011 nan 8.230 nan 0.000 0.432 91 E N 1.945 122.168 120.200 0.037 0.000 2.231 91 E HA 0.366 4.716 4.350 -0.001 0.000 0.277 91 E C 0.708 177.378 176.600 0.117 0.000 0.999 91 E CA -0.278 56.159 56.400 0.062 0.000 0.827 91 E CB 0.530 30.240 29.700 0.017 0.000 1.101 91 E HN 0.614 nan 8.360 nan 0.000 0.393 92 N N 1.388 120.174 118.700 0.143 0.000 2.187 92 N HA -0.338 4.402 4.740 -0.001 0.000 0.194 92 N C 0.918 176.496 175.510 0.115 0.000 1.002 92 N CA 1.863 55.017 53.050 0.175 0.000 0.882 92 N CB -0.489 38.012 38.487 0.023 0.000 1.003 92 N HN 0.318 nan 8.380 nan 0.000 0.443 93 S N -0.192 115.532 115.700 0.039 0.000 2.368 93 S HA -0.242 4.228 4.470 -0.001 0.000 0.226 93 S C 1.926 176.509 174.600 -0.028 0.000 1.044 93 S CA 1.957 60.156 58.200 -0.002 0.000 1.062 93 S CB -1.075 62.117 63.200 -0.014 0.000 0.931 93 S HN 0.559 nan 8.310 nan 0.000 0.440 94 T N 1.929 116.446 114.554 -0.063 0.000 2.607 94 T HA -0.113 4.236 4.350 -0.001 0.000 0.267 94 T C 1.454 176.013 174.700 -0.235 0.000 1.049 94 T CA 1.635 63.624 62.100 -0.185 0.000 1.162 94 T CB -0.653 68.016 68.868 -0.332 0.000 0.863 94 T HN 0.280 nan 8.240 nan 0.000 0.424 95 F N 2.051 121.870 119.950 -0.218 0.000 2.043 95 F HA -0.181 4.345 4.527 -0.001 0.000 0.297 95 F C 2.533 178.181 175.800 -0.253 0.000 1.118 95 F CA 1.636 59.468 58.000 -0.280 0.000 1.202 95 F CB -0.611 38.261 39.000 -0.212 0.000 0.965 95 F HN 0.179 nan 8.300 nan 0.000 0.482 96 D N -0.130 120.293 120.400 0.037 0.000 2.182 96 D HA -0.169 4.470 4.640 -0.001 0.000 0.201 96 D C 1.690 177.921 176.300 -0.114 0.000 0.986 96 D CA 1.240 55.212 54.000 -0.046 0.000 0.847 96 D CB -0.531 40.251 40.800 -0.030 0.000 0.942 96 D HN 0.486 nan 8.370 nan 0.000 0.467 97 E N -0.063 120.064 120.200 -0.121 0.000 2.512 97 E HA 0.056 4.405 4.350 -0.001 0.000 0.195 97 E C 0.124 176.597 176.600 -0.212 0.000 1.083 97 E CA 0.047 56.368 56.400 -0.132 0.000 0.873 97 E CB 0.211 29.858 29.700 -0.088 0.000 0.897 97 E HN 0.265 nan 8.360 nan 0.000 0.514 98 L N 0.571 121.584 121.223 -0.351 0.000 2.298 98 L HA 0.337 4.676 4.340 -0.001 0.000 0.284 98 L C 0.800 177.161 176.870 -0.847 0.000 1.013 98 L CA -0.901 53.549 54.840 -0.650 0.000 0.824 98 L CB 1.648 43.182 42.059 -0.875 0.000 1.221 98 L HN -0.060 nan 8.230 nan 0.000 0.418 99 G N 4.092 112.499 108.800 -0.655 0.000 2.686 99 G HA2 0.236 4.195 3.960 -0.001 0.000 0.280 99 G HA3 0.236 4.195 3.960 -0.001 0.000 0.280 99 G C -0.495 174.172 174.900 -0.388 0.000 0.666 99 G CA 0.520 45.368 45.100 -0.421 0.000 2.114 99 G HN 0.649 nan 8.290 nan 0.000 0.553 100 Y N -2.963 117.260 120.300 -0.128 0.000 3.005 100 Y HA 0.431 4.981 4.550 -0.001 0.000 0.408 100 Y C -0.710 175.156 175.900 -0.056 0.000 1.148 100 Y CA -2.100 55.941 58.100 -0.098 0.000 1.235 100 Y CB -0.031 38.291 38.460 -0.229 0.000 1.602 100 Y HN 0.010 nan 8.280 nan 0.000 0.479 101 S N 1.068 116.971 115.700 0.339 0.000 2.423 101 S HA 0.476 4.946 4.470 -0.001 0.000 0.317 101 S C -0.633 174.103 174.600 0.226 0.000 1.065 101 S CA -0.608 57.719 58.200 0.211 0.000 1.111 101 S CB 0.518 63.774 63.200 0.095 0.000 0.968 101 S HN 0.588 nan 8.310 nan 0.000 0.474 102 T N 4.173 118.889 114.554 0.270 0.000 2.978 102 T HA 0.040 4.389 4.350 -0.001 0.000 0.278 102 T C 1.567 176.338 174.700 0.117 0.000 0.945 102 T CA -0.601 61.602 62.100 0.172 0.000 1.070 102 T CB -0.380 68.609 68.868 0.201 0.000 0.948 102 T HN 0.692 nan 8.240 nan 0.000 0.617 103 N N 2.214 120.931 118.700 0.029 0.000 2.571 103 N HA -0.052 4.688 4.740 -0.001 0.000 0.189 103 N C -0.281 175.208 175.510 -0.036 0.000 1.154 103 N CA 0.282 53.303 53.050 -0.048 0.000 0.907 103 N CB 0.232 38.629 38.487 -0.150 0.000 0.977 103 N HN 0.562 nan 8.380 nan 0.000 0.449 104 D N -1.191 119.255 120.400 0.077 0.000 2.785 104 D HA 0.218 4.858 4.640 -0.001 0.000 0.239 104 D C -1.715 174.765 176.300 0.299 0.000 1.142 104 D CA -0.635 53.415 54.000 0.083 0.000 0.734 104 D CB 0.496 41.298 40.800 0.004 0.000 1.820 104 D HN 0.140 nan 8.370 nan 0.000 0.461 105 Y N 0.115 120.628 120.300 0.356 0.000 2.634 105 Y HA 0.892 5.441 4.550 -0.001 0.000 0.340 105 Y C -1.100 175.006 175.900 0.343 0.000 1.058 105 Y CA -1.186 57.194 58.100 0.466 0.000 1.081 105 Y CB 1.931 40.766 38.460 0.625 0.000 1.295 105 Y HN 0.234 nan 8.280 nan 0.000 0.487 106 S N 1.475 117.565 115.700 0.651 0.000 2.605 106 S HA 0.563 5.033 4.470 -0.001 0.000 0.279 106 S C -1.714 173.287 174.600 0.669 0.000 1.166 106 S CA -0.484 58.058 58.200 0.570 0.000 0.975 106 S CB 0.511 63.980 63.200 0.449 0.000 1.111 106 S HN 1.529 nan 8.310 nan 0.000 0.465 107 V N 3.391 123.565 119.914 0.433 0.000 2.472 107 V HA 0.852 4.971 4.120 -0.001 0.000 0.290 107 V C 0.374 176.269 176.094 -0.332 0.000 1.037 107 V CA -0.473 61.932 62.300 0.175 0.000 0.908 107 V CB 1.215 33.105 31.823 0.113 0.000 0.985 107 V HN 1.060 nan 8.190 nan 0.000 0.454 108 S N 4.925 119.979 115.700 -1.077 0.000 2.558 108 S HA 0.155 4.625 4.470 -0.001 0.000 0.291 108 S C -1.060 173.177 174.600 -0.605 0.000 1.306 108 S CA 0.003 57.174 58.200 -1.716 0.000 1.056 108 S CB 0.347 62.568 63.200 -1.632 0.000 0.836 108 S HN 0.848 nan 8.310 nan 0.000 0.504 109 P HA -0.224 nan 4.420 nan 0.000 0.217 109 P C 0.858 178.108 177.300 -0.082 0.000 1.151 109 P CA 1.896 64.913 63.100 -0.137 0.000 0.849 109 P CB -0.278 31.383 31.700 -0.065 0.000 0.787 110 D N -0.869 119.479 120.400 -0.088 0.000 2.350 110 D HA -0.154 4.485 4.640 -0.001 0.000 0.216 110 D C 0.902 177.174 176.300 -0.047 0.000 0.968 110 D CA 0.478 54.459 54.000 -0.031 0.000 0.894 110 D CB -0.782 40.033 40.800 0.026 0.000 0.909 110 D HN 0.088 nan 8.370 nan 0.000 0.520 111 R N -1.763 118.697 120.500 -0.067 0.000 3.963 111 R HA -0.214 4.125 4.340 -0.001 0.000 0.394 111 R C 0.833 177.086 176.300 -0.079 0.000 1.131 111 R CA 1.235 57.348 56.100 0.022 0.000 1.059 111 R CB -2.271 28.099 30.300 0.117 0.000 1.614 111 R HN 0.385 nan 8.270 nan 0.000 0.546 112 Q N -0.954 118.709 119.800 -0.228 0.000 2.424 112 Q HA 0.173 4.513 4.340 -0.001 0.000 0.204 112 Q C -0.238 175.256 176.000 -0.843 0.000 0.933 112 Q CA 0.677 56.157 55.803 -0.537 0.000 0.929 112 Q CB 0.419 28.749 28.738 -0.680 0.000 1.037 112 Q HN 0.172 nan 8.270 nan 0.000 0.511 113 F N -0.436 119.424 119.950 -0.151 0.000 2.629 113 F HA 0.548 5.074 4.527 -0.001 0.000 0.316 113 F C -0.780 175.064 175.800 0.073 0.000 1.081 113 F CA -1.309 56.673 58.000 -0.030 0.000 0.954 113 F CB 1.807 40.857 39.000 0.083 0.000 1.337 113 F HN -0.225 nan 8.300 nan 0.000 0.474 114 I N 2.468 123.269 120.570 0.385 0.000 2.571 114 I HA 0.485 4.655 4.170 -0.001 0.000 0.289 114 I C -2.010 174.163 176.117 0.094 0.000 1.115 114 I CA -0.916 60.523 61.300 0.232 0.000 1.045 114 I CB 1.457 39.453 38.000 -0.007 0.000 1.238 114 I HN 0.498 nan 8.210 nan 0.000 0.424 115 L N 8.443 129.845 121.223 0.298 0.000 2.276 115 L HA 0.531 4.871 4.340 -0.001 0.000 0.286 115 L C -1.497 175.531 176.870 0.264 0.000 1.061 115 L CA 0.331 55.291 54.840 0.200 0.000 0.807 115 L CB 0.658 42.806 42.059 0.149 0.000 1.177 115 L HN 0.422 nan 8.230 nan 0.000 0.429 116 F N 3.878 124.023 119.950 0.324 0.000 2.436 116 F HA 0.381 4.907 4.527 -0.001 0.000 0.340 116 F C 0.388 176.275 175.800 0.146 0.000 1.113 116 F CA -0.817 57.331 58.000 0.247 0.000 1.022 116 F CB 1.610 40.730 39.000 0.200 0.000 1.128 116 F HN 0.458 nan 8.300 nan 0.000 0.466 117 E N 5.044 125.388 120.200 0.240 0.000 2.133 117 E HA 0.281 4.631 4.350 -0.001 0.000 0.274 117 E C -1.608 174.870 176.600 -0.203 0.000 0.930 117 E CA -0.523 55.725 56.400 -0.252 0.000 0.770 117 E CB 1.194 30.768 29.700 -0.209 0.000 1.104 117 E HN 0.590 nan 8.360 nan 0.000 0.403 118 Y N 1.840 121.825 120.300 -0.524 0.000 2.805 118 Y HA 0.464 5.014 4.550 -0.001 0.000 0.323 118 Y C -0.102 175.646 175.900 -0.253 0.000 1.279 118 Y CA -1.664 56.193 58.100 -0.404 0.000 1.103 118 Y CB 0.281 38.325 38.460 -0.695 0.000 1.324 118 Y HN 0.475 nan 8.280 nan 0.000 0.498 119 N N -0.365 118.242 118.700 -0.154 0.000 2.727 119 N HA -0.301 4.438 4.740 -0.001 0.000 0.249 119 N C -1.134 174.291 175.510 -0.142 0.000 1.048 119 N CA 0.962 53.911 53.050 -0.168 0.000 0.714 119 N CB -1.736 36.546 38.487 -0.341 0.000 0.959 119 N HN 0.848 nan 8.380 nan 0.000 0.544 120 Y N -0.319 119.866 120.300 -0.191 0.000 2.511 120 Y HA 0.340 4.889 4.550 -0.001 0.000 0.332 120 Y C 0.159 175.996 175.900 -0.106 0.000 1.177 120 Y CA -0.099 57.899 58.100 -0.170 0.000 1.422 120 Y CB 0.818 39.144 38.460 -0.223 0.000 1.271 120 Y HN -0.006 nan 8.280 nan 0.000 0.550 121 V N 7.894 127.342 119.914 -0.777 0.000 2.595 121 V HA 0.134 4.253 4.120 -0.001 0.000 0.269 121 V C -0.337 175.329 176.094 -0.714 0.000 0.982 121 V CA -1.360 60.597 62.300 -0.571 0.000 0.873 121 V CB 0.966 32.621 31.823 -0.280 0.000 1.051 121 V HN 0.812 nan 8.190 nan 0.000 0.466 122 K N 3.188 123.102 120.400 -0.810 0.000 2.561 122 K HA -0.004 4.315 4.320 -0.001 0.000 0.280 122 K C 0.512 176.920 176.600 -0.320 0.000 0.975 122 K CA 0.856 56.895 56.287 -0.414 0.000 1.024 122 K CB 1.040 33.519 32.500 -0.035 0.000 0.883 122 K HN 0.792 nan 8.250 nan 0.000 0.496 123 Q N 3.040 122.637 119.800 -0.338 0.000 2.653 123 Q HA 0.194 4.534 4.340 -0.001 0.000 0.212 123 Q C -0.126 175.561 176.000 -0.522 0.000 0.951 123 Q CA -0.436 54.966 55.803 -0.669 0.000 0.535 123 Q CB 0.103 28.291 28.738 -0.917 0.000 3.737 123 Q HN 0.721 nan 8.270 nan 0.000 0.401 124 W N 0.328 121.601 121.300 -0.045 0.000 1.945 124 W HA 0.409 5.068 4.660 -0.001 0.000 0.606 124 W C 1.773 178.267 176.519 -0.041 0.000 1.803 124 W CA -0.703 56.649 57.345 0.011 0.000 1.990 124 W CB -0.090 29.341 29.460 -0.047 0.000 2.848 124 W HN 0.319 nan 8.180 nan 0.000 0.771 125 R N -0.499 120.099 120.500 0.163 0.000 2.091 125 R HA -0.189 4.151 4.340 -0.001 0.000 0.238 125 R C 1.680 177.811 176.300 -0.281 0.000 1.136 125 R CA 1.955 57.977 56.100 -0.130 0.000 0.959 125 R CB -0.423 29.674 30.300 -0.338 0.000 0.856 125 R HN 0.520 nan 8.270 nan 0.000 0.437 126 H N -1.317 117.811 119.070 0.097 0.000 2.800 126 H HA 0.144 4.699 4.556 -0.001 0.000 0.257 126 H C 0.660 176.060 175.328 0.120 0.000 0.967 126 H CA 0.525 56.651 56.048 0.130 0.000 1.192 126 H CB 0.167 29.984 29.762 0.091 0.000 1.441 126 H HN 0.155 nan 8.280 nan 0.000 0.461 127 S N 1.386 117.044 115.700 -0.071 0.000 2.576 127 S HA 0.355 4.824 4.470 -0.001 0.000 0.276 127 S C -0.316 174.076 174.600 -0.346 0.000 1.339 127 S CA -0.434 57.364 58.200 -0.670 0.000 1.039 127 S CB 0.510 62.768 63.200 -1.569 0.000 0.902 127 S HN 0.433 nan 8.310 nan 0.000 0.516 128 Y N -2.281 117.797 120.300 -0.371 0.000 2.732 128 Y HA 0.654 5.203 4.550 -0.001 0.000 0.342 128 Y C -0.751 175.074 175.900 -0.126 0.000 1.203 128 Y CA -0.937 56.971 58.100 -0.320 0.000 1.092 128 Y CB 0.460 38.707 38.460 -0.354 0.000 1.345 128 Y HN 0.871 nan 8.280 nan 0.000 0.458 129 T N -0.158 114.405 114.554 0.015 0.000 2.932 129 T HA 1.027 5.377 4.350 -0.001 0.000 0.289 129 T C -0.435 174.306 174.700 0.069 0.000 1.039 129 T CA -0.153 61.987 62.100 0.068 0.000 1.024 129 T CB 1.836 70.699 68.868 -0.009 0.000 1.090 129 T HN 1.924 nan 8.240 nan 0.000 0.496 130 A N 0.820 123.682 122.820 0.069 0.000 2.540 130 A HA 0.766 5.086 4.320 -0.001 0.000 0.291 130 A C -0.603 176.828 177.584 -0.255 0.000 1.083 130 A CA -0.966 50.980 52.037 -0.151 0.000 0.650 130 A CB 0.891 19.756 19.000 -0.225 0.000 1.292 130 A HN 0.861 nan 8.150 nan 0.000 0.435 131 S N -0.982 114.330 115.700 -0.646 0.000 2.681 131 S HA 0.876 5.345 4.470 -0.001 0.000 0.299 131 S C -1.494 172.643 174.600 -0.772 0.000 1.113 131 S CA -0.090 57.705 58.200 -0.675 0.000 1.013 131 S CB 0.754 63.251 63.200 -1.173 0.000 1.076 131 S HN 0.490 nan 8.310 nan 0.000 0.534 132 Y N -0.201 119.962 120.300 -0.228 0.000 2.571 132 Y HA 0.465 5.015 4.550 -0.001 0.000 0.341 132 Y C -0.742 175.252 175.900 0.157 0.000 1.076 132 Y CA -0.978 57.123 58.100 0.002 0.000 1.029 132 Y CB 1.772 40.163 38.460 -0.115 0.000 1.308 132 Y HN 0.480 nan 8.280 nan 0.000 0.461 133 D N 1.879 122.515 120.400 0.394 0.000 2.879 133 D HA 0.504 5.144 4.640 -0.001 0.000 0.236 133 D C -0.990 175.453 176.300 0.239 0.000 1.171 133 D CA -0.309 53.875 54.000 0.307 0.000 0.868 133 D CB 2.736 43.766 40.800 0.383 0.000 1.598 133 D HN 0.387 nan 8.370 nan 0.000 0.497 134 I N 1.879 122.541 120.570 0.153 0.000 2.359 134 I HA 0.242 4.412 4.170 -0.001 0.000 0.294 134 I C -0.744 175.494 176.117 0.202 0.000 0.987 134 I CA -0.872 60.509 61.300 0.135 0.000 1.225 134 I CB 1.149 39.182 38.000 0.055 0.000 1.366 134 I HN 0.251 nan 8.210 nan 0.000 0.466 135 Y N 5.527 125.842 120.300 0.025 0.000 2.335 135 Y HA 0.284 4.833 4.550 -0.001 0.000 0.338 135 Y C -0.248 175.716 175.900 0.105 0.000 0.977 135 Y CA -0.770 57.336 58.100 0.011 0.000 1.114 135 Y CB 1.180 39.523 38.460 -0.196 0.000 1.182 135 Y HN 0.472 nan 8.280 nan 0.000 0.463 136 D N 6.851 126.968 120.400 -0.471 0.000 2.374 136 D HA 0.092 4.731 4.640 -0.001 0.000 0.240 136 D C 0.870 176.760 176.300 -0.683 0.000 1.229 136 D CA 0.291 53.998 54.000 -0.488 0.000 0.895 136 D CB 0.769 41.365 40.800 -0.340 0.000 1.046 136 D HN 0.872 nan 8.370 nan 0.000 0.498 137 L N 3.115 124.062 121.223 -0.460 0.000 2.450 137 L HA -0.143 4.196 4.340 -0.001 0.000 0.224 137 L C 1.804 178.482 176.870 -0.320 0.000 1.149 137 L CA 0.459 55.129 54.840 -0.284 0.000 0.816 137 L CB -0.259 41.645 42.059 -0.259 0.000 0.932 137 L HN 0.335 nan 8.230 nan 0.000 0.449 138 N N 1.106 119.572 118.700 -0.389 0.000 2.255 138 N HA -0.092 4.647 4.740 -0.001 0.000 0.192 138 N C 1.671 177.037 175.510 -0.239 0.000 1.049 138 N CA 1.032 53.905 53.050 -0.296 0.000 0.886 138 N CB -0.287 38.015 38.487 -0.309 0.000 1.064 138 N HN 0.350 nan 8.380 nan 0.000 0.457 139 K N 1.430 121.684 120.400 -0.244 0.000 2.360 139 K HA 0.009 4.329 4.320 -0.001 0.000 0.201 139 K C -0.228 176.255 176.600 -0.194 0.000 1.046 139 K CA 0.615 56.791 56.287 -0.184 0.000 0.945 139 K CB -0.005 32.401 32.500 -0.157 0.000 0.750 139 K HN 0.104 nan 8.250 nan 0.000 0.464 140 R N 1.451 121.776 120.500 -0.292 0.000 3.261 140 R HA -0.152 4.187 4.340 -0.001 0.000 0.257 140 R C -1.017 175.109 176.300 -0.291 0.000 1.014 140 R CA 0.798 56.728 56.100 -0.283 0.000 0.681 140 R CB -2.173 28.092 30.300 -0.059 0.000 1.155 140 R HN 0.614 nan 8.270 nan 0.000 0.424 141 Q N -0.024 119.462 119.800 -0.524 0.000 2.544 141 Q HA 0.604 4.943 4.340 -0.001 0.000 0.291 141 Q C -0.697 175.102 176.000 -0.335 0.000 1.068 141 Q CA -1.141 54.508 55.803 -0.257 0.000 0.785 141 Q CB 2.166 30.825 28.738 -0.131 0.000 1.481 141 Q HN 0.230 nan 8.270 nan 0.000 0.430 142 L N 1.842 123.071 121.223 0.009 0.000 2.275 142 L HA 0.461 4.801 4.340 -0.001 0.000 0.288 142 L C -0.841 176.069 176.870 0.066 0.000 1.046 142 L CA -0.627 54.297 54.840 0.140 0.000 0.805 142 L CB 0.668 42.871 42.059 0.240 0.000 1.193 142 L HN 0.563 nan 8.230 nan 0.000 0.426 143 I N 4.596 125.211 120.570 0.074 0.000 2.581 143 I HA -0.028 4.142 4.170 -0.001 0.000 0.285 143 I C 1.208 177.362 176.117 0.060 0.000 1.129 143 I CA 0.263 61.598 61.300 0.059 0.000 1.397 143 I CB 0.995 39.036 38.000 0.068 0.000 1.399 143 I HN 0.737 nan 8.210 nan 0.000 0.537 144 T N 1.291 115.870 114.554 0.042 0.000 3.014 144 T HA 0.094 4.444 4.350 -0.001 0.000 0.250 144 T C 0.480 175.193 174.700 0.022 0.000 1.060 144 T CA -0.348 61.775 62.100 0.038 0.000 1.040 144 T CB -0.029 68.859 68.868 0.033 0.000 0.971 144 T HN 0.676 nan 8.240 nan 0.000 0.497 145 E N 1.747 121.955 120.200 0.014 0.000 2.191 145 E HA 0.392 4.742 4.350 -0.001 0.000 0.278 145 E C -0.770 175.826 176.600 -0.007 0.000 0.972 145 E CA -0.835 55.568 56.400 0.004 0.000 0.804 145 E CB 0.836 30.541 29.700 0.007 0.000 1.110 145 E HN 0.013 nan 8.360 nan 0.000 0.394 146 E N 0.943 121.131 120.200 -0.019 0.000 2.553 146 E HA -0.172 4.178 4.350 -0.001 0.000 0.264 146 E C -0.526 176.037 176.600 -0.062 0.000 1.068 146 E CA 0.513 56.891 56.400 -0.037 0.000 0.774 146 E CB -1.583 28.104 29.700 -0.022 0.000 1.349 146 E HN 0.672 nan 8.360 nan 0.000 0.404 147 R N -0.181 120.284 120.500 -0.058 0.000 2.905 147 R HA 0.293 4.632 4.340 -0.001 0.000 0.273 147 R C 1.221 177.425 176.300 -0.160 0.000 1.033 147 R CA 0.059 56.119 56.100 -0.068 0.000 1.182 147 R CB 0.385 30.672 30.300 -0.022 0.000 1.097 147 R HN 0.120 nan 8.270 nan 0.000 0.504 148 I N 2.544 122.995 120.570 -0.197 0.000 2.428 148 I HA 0.163 4.333 4.170 -0.001 0.000 0.289 148 I C -1.779 174.113 176.117 -0.375 0.000 1.019 148 I CA -2.196 58.867 61.300 -0.395 0.000 1.351 148 I CB 1.093 38.822 38.000 -0.452 0.000 1.412 148 I HN 0.306 nan 8.210 nan 0.000 0.513 149 P HA -0.021 nan 4.420 nan 0.000 0.267 149 P C -0.864 176.274 177.300 -0.271 0.000 1.195 149 P CA 0.007 62.764 63.100 -0.572 0.000 0.773 149 P CB 0.306 31.251 31.700 -1.258 0.000 0.837 150 N N 2.550 121.179 118.700 -0.118 0.000 2.513 150 N HA 0.097 4.837 4.740 -0.001 0.000 0.274 150 N C 0.015 175.606 175.510 0.135 0.000 1.189 150 N CA 0.007 53.045 53.050 -0.019 0.000 0.975 150 N CB -0.135 38.351 38.487 -0.002 0.000 1.157 150 N HN 0.388 nan 8.380 nan 0.000 0.465 151 N N -0.438 118.316 118.700 0.090 0.000 2.746 151 N HA -0.149 4.591 4.740 -0.001 0.000 0.250 151 N C -0.974 174.696 175.510 0.267 0.000 1.055 151 N CA 0.676 53.807 53.050 0.134 0.000 0.699 151 N CB -1.597 36.961 38.487 0.119 0.000 0.919 151 N HN 0.449 nan 8.380 nan 0.000 0.548 152 T N 0.593 115.292 114.554 0.241 0.000 2.845 152 T HA 0.261 4.611 4.350 -0.001 0.000 0.288 152 T C 1.637 176.484 174.700 0.245 0.000 0.980 152 T CA -0.288 61.973 62.100 0.268 0.000 1.071 152 T CB 1.645 70.574 68.868 0.102 0.000 0.941 152 T HN 0.166 nan 8.240 nan 0.000 0.487 153 Q N 1.699 121.647 119.800 0.246 0.000 2.339 153 Q HA 0.190 4.529 4.340 -0.001 0.000 0.205 153 Q C 0.123 176.329 176.000 0.343 0.000 0.925 153 Q CA 0.286 56.272 55.803 0.304 0.000 0.898 153 Q CB 1.078 29.974 28.738 0.263 0.000 1.013 153 Q HN 0.662 nan 8.270 nan 0.000 0.504 154 W N -0.144 121.137 121.300 -0.031 0.000 3.248 154 W HA 0.603 5.263 4.660 -0.001 0.000 0.311 154 W C -2.227 174.240 176.519 -0.087 0.000 1.258 154 W CA -0.730 56.560 57.345 -0.092 0.000 1.191 154 W CB 1.429 30.773 29.460 -0.193 0.000 1.389 154 W HN -0.096 nan 8.180 nan 0.000 0.561 155 I N 3.337 123.324 120.570 -0.970 0.000 2.842 155 I HA 0.552 4.722 4.170 -0.001 0.000 0.297 155 I C -1.549 174.016 176.117 -0.919 0.000 1.380 155 I CA -0.042 60.815 61.300 -0.739 0.000 1.018 155 I CB 2.597 40.075 38.000 -0.870 0.000 1.311 155 I HN 0.362 nan 8.210 nan 0.000 0.439 156 T N 4.096 118.363 114.554 -0.479 0.000 2.893 156 T HA 0.419 4.768 4.350 -0.001 0.000 0.337 156 T C -2.091 172.592 174.700 -0.028 0.000 1.587 156 T CA -0.333 61.619 62.100 -0.247 0.000 1.066 156 T CB 0.659 69.549 68.868 0.036 0.000 1.414 156 T HN 0.513 nan 8.240 nan 0.000 0.488 157 W N 2.888 124.221 121.300 0.056 0.000 2.303 157 W HA 0.543 5.202 4.660 -0.001 0.000 0.334 157 W C 1.134 177.549 176.519 -0.172 0.000 1.197 157 W CA -0.601 56.729 57.345 -0.025 0.000 1.262 157 W CB 0.791 30.242 29.460 -0.016 0.000 1.153 157 W HN 0.800 nan 8.180 nan 0.000 0.596 158 S N 1.570 117.066 115.700 -0.340 0.000 2.580 158 S HA 0.048 4.518 4.470 -0.001 0.000 0.266 158 S C -1.874 172.555 174.600 -0.286 0.000 1.354 158 S CA -0.808 56.764 58.200 -1.047 0.000 1.008 158 S CB 0.368 62.832 63.200 -1.226 0.000 0.898 158 S HN 0.299 nan 8.310 nan 0.000 0.555 159 P HA 0.052 nan 4.420 nan 0.000 0.226 159 P C 0.204 177.484 177.300 -0.034 0.000 1.153 159 P CA 0.672 63.769 63.100 -0.004 0.000 0.777 159 P CB -0.098 31.626 31.700 0.041 0.000 0.794 160 V N -7.013 112.831 119.914 -0.116 0.000 3.160 160 V HA 0.894 5.013 4.120 -0.001 0.000 0.310 160 V C 0.469 176.488 176.094 -0.126 0.000 1.181 160 V CA -0.380 61.867 62.300 -0.088 0.000 1.047 160 V CB 1.052 32.833 31.823 -0.070 0.000 1.068 160 V HN 0.342 nan 8.190 nan 0.000 0.441 161 G N 1.545 110.305 108.800 -0.067 0.000 2.547 161 G HA2 -0.144 3.816 3.960 -0.001 0.000 0.271 161 G HA3 -0.144 3.816 3.960 -0.001 0.000 0.271 161 G C 0.159 175.063 174.900 0.007 0.000 1.209 161 G CA 0.865 45.947 45.100 -0.030 0.000 0.959 161 G HN 2.662 nan 8.290 nan 0.000 0.563 162 H N -0.394 118.661 119.070 -0.024 0.000 3.074 162 H HA 0.473 5.029 4.556 -0.001 0.000 0.227 162 H C 0.147 175.627 175.328 0.255 0.000 1.365 162 H CA -0.149 55.943 56.048 0.073 0.000 1.078 162 H CB -0.447 29.382 29.762 0.113 0.000 2.347 162 H HN 0.553 nan 8.280 nan 0.000 0.567 163 K N 1.353 121.717 120.400 -0.060 0.000 2.126 163 K HA 0.572 4.892 4.320 -0.001 0.000 0.257 163 K C -0.336 176.314 176.600 0.083 0.000 1.007 163 K CA -0.601 55.624 56.287 -0.102 0.000 0.928 163 K CB 1.669 33.956 32.500 -0.355 0.000 1.013 163 K HN 0.161 nan 8.250 nan 0.000 0.473 164 L N 1.007 122.289 121.223 0.099 0.000 2.401 164 L HA 0.612 4.952 4.340 -0.001 0.000 0.266 164 L C -1.060 175.979 176.870 0.281 0.000 0.991 164 L CA -0.908 53.978 54.840 0.076 0.000 0.818 164 L CB 2.152 44.133 42.059 -0.129 0.000 1.321 164 L HN 0.711 nan 8.230 nan 0.000 0.413 165 A N 2.754 125.750 122.820 0.294 0.000 2.398 165 A HA 0.846 5.165 4.320 -0.001 0.000 0.301 165 A C -1.671 175.954 177.584 0.067 0.000 1.041 165 A CA -0.377 51.739 52.037 0.131 0.000 0.711 165 A CB 1.426 20.440 19.000 0.023 0.000 1.240 165 A HN 0.666 nan 8.150 nan 0.000 0.420 166 Y N -0.809 119.452 120.300 -0.065 0.000 2.638 166 Y HA 0.751 5.301 4.550 -0.001 0.000 0.335 166 Y C -1.338 174.573 175.900 0.018 0.000 1.155 166 Y CA -1.567 56.478 58.100 -0.091 0.000 1.046 166 Y CB 0.987 39.321 38.460 -0.211 0.000 1.303 166 Y HN 0.435 nan 8.280 nan 0.000 0.460 167 V N 1.871 121.937 119.914 0.255 0.000 2.495 167 V HA 0.400 4.519 4.120 -0.001 0.000 0.298 167 V C -1.467 174.839 176.094 0.353 0.000 1.031 167 V CA -0.586 61.834 62.300 0.200 0.000 0.871 167 V CB 1.377 33.235 31.823 0.058 0.000 0.988 167 V HN 0.869 nan 8.190 nan 0.000 0.432 168 W N 5.369 126.737 121.300 0.114 0.000 2.968 168 W HA 0.469 5.128 4.660 -0.001 0.000 0.337 168 W C 0.195 176.741 176.519 0.044 0.000 1.060 168 W CA -0.678 56.691 57.345 0.040 0.000 1.240 168 W CB 1.145 30.556 29.460 -0.082 0.000 1.370 168 W HN 0.799 nan 8.180 nan 0.000 0.459 169 N N 5.439 123.788 118.700 -0.585 0.000 2.754 169 N HA -0.335 4.405 4.740 -0.001 0.000 0.248 169 N C 0.020 175.358 175.510 -0.287 0.000 1.093 169 N CA 0.940 53.629 53.050 -0.602 0.000 0.699 169 N CB -1.350 36.521 38.487 -1.027 0.000 1.016 169 N HN 0.894 nan 8.380 nan 0.000 0.552 170 N N -1.163 117.438 118.700 -0.166 0.000 2.741 170 N HA -0.167 4.573 4.740 -0.001 0.000 0.251 170 N C -1.486 173.952 175.510 -0.121 0.000 1.112 170 N CA 1.047 54.020 53.050 -0.128 0.000 0.750 170 N CB -0.273 38.083 38.487 -0.219 0.000 1.119 170 N HN 0.419 nan 8.380 nan 0.000 0.561 171 D N 0.392 120.754 120.400 -0.062 0.000 2.619 171 D HA 0.440 5.080 4.640 -0.001 0.000 0.241 171 D C 0.102 176.349 176.300 -0.088 0.000 1.087 171 D CA -0.398 53.517 54.000 -0.142 0.000 0.851 171 D CB 1.560 42.254 40.800 -0.177 0.000 1.474 171 D HN 0.033 nan 8.370 nan 0.000 0.478 172 I N 1.922 122.260 120.570 -0.386 0.000 2.396 172 I HA 0.231 4.400 4.170 -0.001 0.000 0.292 172 I C -0.593 175.173 176.117 -0.586 0.000 0.999 172 I CA -0.365 60.693 61.300 -0.403 0.000 1.310 172 I CB 0.500 38.149 38.000 -0.585 0.000 1.404 172 I HN 0.177 nan 8.210 nan 0.000 0.496 173 Y N 4.004 123.908 120.300 -0.659 0.000 2.576 173 Y HA 0.660 5.209 4.550 -0.001 0.000 0.346 173 Y C -0.353 175.163 175.900 -0.640 0.000 1.018 173 Y CA -0.972 56.676 58.100 -0.753 0.000 1.050 173 Y CB 2.072 39.814 38.460 -1.196 0.000 1.280 173 Y HN 0.093 nan 8.280 nan 0.000 0.474 174 V N 2.117 121.898 119.914 -0.221 0.000 2.623 174 V HA 0.410 4.529 4.120 -0.001 0.000 0.304 174 V C -0.964 175.150 176.094 0.032 0.000 1.054 174 V CA -1.459 60.805 62.300 -0.061 0.000 0.882 174 V CB 1.859 33.679 31.823 -0.004 0.000 1.002 174 V HN 0.605 nan 8.190 nan 0.000 0.424 175 K N 3.435 123.889 120.400 0.090 0.000 2.404 175 K HA 0.427 4.746 4.320 -0.001 0.000 0.257 175 K C 0.641 177.272 176.600 0.051 0.000 1.026 175 K CA -0.265 56.066 56.287 0.073 0.000 0.951 175 K CB 1.275 33.815 32.500 0.066 0.000 1.203 175 K HN 0.629 nan 8.250 nan 0.000 0.446 176 N N 1.377 120.098 118.700 0.035 0.000 2.188 176 N HA -0.104 4.636 4.740 -0.001 0.000 0.184 176 N C -0.144 175.334 175.510 -0.054 0.000 1.018 176 N CA 0.915 53.957 53.050 -0.013 0.000 0.858 176 N CB 0.397 38.882 38.487 -0.004 0.000 0.989 176 N HN 0.436 nan 8.380 nan 0.000 0.426 177 E N -0.712 119.490 120.200 0.002 0.000 2.244 177 E HA 0.218 4.568 4.350 -0.001 0.000 0.266 177 E C -1.950 174.635 176.600 -0.026 0.000 0.914 177 E CA -2.126 54.299 56.400 0.041 0.000 0.794 177 E CB 1.368 31.118 29.700 0.083 0.000 1.210 177 E HN -0.120 nan 8.360 nan 0.000 0.414 178 P HA -0.056 nan 4.420 nan 0.000 0.226 178 P C 0.666 177.910 177.300 -0.093 0.000 1.153 178 P CA 0.999 63.964 63.100 -0.226 0.000 0.777 178 P CB 0.348 31.665 31.700 -0.638 0.000 0.794 179 N N -2.207 116.477 118.700 -0.027 0.000 2.171 179 N HA 0.044 4.783 4.740 -0.001 0.000 0.212 179 N C 0.011 175.526 175.510 0.009 0.000 1.184 179 N CA 0.104 53.156 53.050 0.003 0.000 0.888 179 N CB 0.258 38.764 38.487 0.031 0.000 1.038 179 N HN -0.003 nan 8.380 nan 0.000 0.517 180 L N 1.367 122.598 121.223 0.013 0.000 2.365 180 L HA 0.423 4.763 4.340 -0.001 0.000 0.267 180 L C 0.796 177.676 176.870 0.017 0.000 1.033 180 L CA -0.735 54.116 54.840 0.019 0.000 0.802 180 L CB 1.018 43.095 42.059 0.029 0.000 1.267 180 L HN -0.066 nan 8.230 nan 0.000 0.457 181 S N 0.191 115.905 115.700 0.023 0.000 2.558 181 S HA 0.171 4.640 4.470 -0.001 0.000 0.287 181 S C 0.409 175.035 174.600 0.043 0.000 1.321 181 S CA -0.351 57.867 58.200 0.029 0.000 1.048 181 S CB 0.345 63.567 63.200 0.036 0.000 0.844 181 S HN 0.718 nan 8.310 nan 0.000 0.512 182 S N 1.307 117.044 115.700 0.062 0.000 2.707 182 S HA 0.531 5.001 4.470 -0.001 0.000 0.276 182 S C -0.560 174.078 174.600 0.063 0.000 1.179 182 S CA -0.805 57.443 58.200 0.080 0.000 0.992 182 S CB 1.035 64.322 63.200 0.146 0.000 1.030 182 S HN 0.641 nan 8.310 nan 0.000 0.554 183 Q N 0.890 120.699 119.800 0.014 0.000 2.363 183 Q HA 0.369 4.709 4.340 -0.001 0.000 0.265 183 Q C -0.506 175.379 176.000 -0.192 0.000 1.032 183 Q CA -0.410 55.375 55.803 -0.029 0.000 0.746 183 Q CB 1.074 29.808 28.738 -0.007 0.000 1.237 183 Q HN 0.702 nan 8.270 nan 0.000 0.475 184 R N 4.243 124.550 120.500 -0.321 0.000 2.583 184 R HA 0.002 4.341 4.340 -0.001 0.000 0.274 184 R C 0.084 176.008 176.300 -0.626 0.000 0.998 184 R CA 0.390 55.963 56.100 -0.879 0.000 1.081 184 R CB 0.446 30.009 30.300 -1.228 0.000 0.940 184 R HN 0.809 nan 8.270 nan 0.000 0.413 185 I N 1.881 122.001 120.570 -0.749 0.000 4.032 185 I HA -0.006 4.163 4.170 -0.001 0.000 0.313 185 I C 0.872 176.726 176.117 -0.438 0.000 1.272 185 I CA 0.766 61.801 61.300 -0.441 0.000 1.307 185 I CB 0.011 37.755 38.000 -0.426 0.000 1.155 185 I HN 0.640 nan 8.210 nan 0.000 0.431 186 T N -3.681 110.436 114.554 -0.727 0.000 2.906 186 T HA 0.438 4.788 4.350 -0.001 0.000 0.295 186 T C -0.807 173.433 174.700 -0.766 0.000 1.061 186 T CA -0.466 61.321 62.100 -0.521 0.000 1.000 186 T CB 1.944 70.545 68.868 -0.445 0.000 1.103 186 T HN 0.144 nan 8.240 nan 0.000 0.486 187 W N 0.332 121.523 121.300 -0.182 0.000 2.284 187 W HA 0.262 4.922 4.660 0.000 0.000 0.334 187 W C 1.621 178.079 176.519 -0.101 0.000 0.917 187 W CA -0.182 57.086 57.345 -0.128 0.000 1.621 187 W CB 0.098 29.498 29.460 -0.101 0.000 1.129 187 W HN 0.911 nan 8.180 nan 0.000 0.528 188 T N -2.730 111.846 114.554 0.036 0.000 3.069 188 T HA 0.333 4.683 4.350 -0.001 0.000 0.252 188 T C 1.129 175.800 174.700 -0.048 0.000 1.053 188 T CA 0.100 62.206 62.100 0.009 0.000 0.964 188 T CB -0.020 68.852 68.868 0.007 0.000 1.005 188 T HN 0.009 nan 8.240 nan 0.000 0.532 189 G N 1.374 110.117 108.800 -0.095 0.000 2.414 189 G HA2 0.398 4.358 3.960 -0.001 0.000 0.236 189 G HA3 0.398 4.358 3.960 -0.001 0.000 0.236 189 G C -0.612 174.200 174.900 -0.145 0.000 1.293 189 G CA -0.447 44.569 45.100 -0.140 0.000 0.869 189 G HN 0.614 nan 8.290 nan 0.000 0.556 190 K N 1.520 121.801 120.400 -0.197 0.000 2.587 190 K HA 0.191 4.510 4.320 -0.001 0.000 0.256 190 K C -0.166 176.280 176.600 -0.256 0.000 0.974 190 K CA -0.694 55.482 56.287 -0.184 0.000 0.855 190 K CB 1.237 33.666 32.500 -0.118 0.000 1.292 190 K HN 0.635 nan 8.250 nan 0.000 0.444 191 E N 4.206 124.280 120.200 -0.210 0.000 2.652 191 E HA -0.191 4.158 4.350 -0.001 0.000 0.255 191 E C -0.445 176.076 176.600 -0.132 0.000 0.952 191 E CA 1.346 57.639 56.400 -0.178 0.000 0.947 191 E CB -0.028 29.602 29.700 -0.117 0.000 0.912 191 E HN 0.850 nan 8.360 nan 0.000 0.489 192 N N 1.479 120.117 118.700 -0.103 0.000 2.900 192 N HA -0.252 4.488 4.740 -0.001 0.000 0.240 192 N C 0.239 175.784 175.510 0.058 0.000 0.953 192 N CA 0.637 53.727 53.050 0.066 0.000 0.950 192 N CB -0.529 38.001 38.487 0.073 0.000 1.102 192 N HN 0.356 nan 8.380 nan 0.000 0.593 193 V N -0.758 119.094 119.914 -0.104 0.000 3.102 193 V HA 0.291 4.411 4.120 -0.001 0.000 0.225 193 V C 0.214 176.311 176.094 0.006 0.000 1.301 193 V CA 0.497 62.796 62.300 -0.001 0.000 1.308 193 V CB 0.800 32.612 31.823 -0.018 0.000 1.129 193 V HN 0.103 nan 8.190 nan 0.000 0.502 194 I N 0.803 121.259 120.570 -0.189 0.000 2.447 194 I HA 0.462 4.631 4.170 -0.001 0.000 0.287 194 I C -1.584 174.400 176.117 -0.221 0.000 1.023 194 I CA -0.593 60.668 61.300 -0.065 0.000 1.083 194 I CB 1.415 39.397 38.000 -0.030 0.000 1.245 194 I HN 0.193 nan 8.210 nan 0.000 0.434 195 Y N 4.590 124.958 120.300 0.114 0.000 2.328 195 Y HA 0.433 4.983 4.550 -0.001 0.000 0.337 195 Y C 0.329 176.283 175.900 0.090 0.000 0.966 195 Y CA -0.791 57.381 58.100 0.121 0.000 1.136 195 Y CB 1.244 39.841 38.460 0.229 0.000 1.170 195 Y HN 0.400 nan 8.280 nan 0.000 0.470 196 N N 2.057 120.819 118.700 0.103 0.000 2.443 196 N HA 0.396 5.135 4.740 -0.001 0.000 0.269 196 N C 0.768 176.227 175.510 -0.084 0.000 0.985 196 N CA 0.381 53.432 53.050 0.001 0.000 0.921 196 N CB 1.920 40.296 38.487 -0.185 0.000 1.195 196 N HN 0.959 nan 8.380 nan 0.000 0.492 197 G N 0.460 109.239 108.800 -0.035 0.000 2.241 197 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.244 197 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.244 197 G C 0.008 174.777 174.900 -0.218 0.000 0.998 197 G CA 0.640 45.652 45.100 -0.147 0.000 0.621 197 G HN 0.670 nan 8.290 nan 0.000 0.519 198 V N -1.328 118.494 119.914 -0.155 0.000 3.040 198 V HA 0.941 5.061 4.120 -0.001 0.000 0.312 198 V C 0.391 176.393 176.094 -0.154 0.000 1.115 198 V CA -0.016 62.042 62.300 -0.404 0.000 0.998 198 V CB 1.424 32.775 31.823 -0.787 0.000 1.042 198 V HN 1.060 nan 8.190 nan 0.000 0.433 199 T N -0.188 114.154 114.554 -0.354 0.000 2.874 199 T HA 0.509 4.858 4.350 -0.001 0.000 0.281 199 T C -0.215 174.077 174.700 -0.681 0.000 0.994 199 T CA -0.269 61.399 62.100 -0.720 0.000 1.015 199 T CB 1.241 69.710 68.868 -0.666 0.000 1.028 199 T HN 1.083 nan 8.240 nan 0.000 0.523 200 D N -0.238 119.524 120.400 -1.062 0.000 2.478 200 D HA 0.035 4.675 4.640 -0.001 0.000 0.269 200 D C 0.961 177.032 176.300 -0.381 0.000 1.232 200 D CA -1.095 52.358 54.000 -0.912 0.000 1.059 200 D CB 0.151 40.421 40.800 -0.884 0.000 1.104 200 D HN 0.675 nan 8.370 nan 0.000 0.566 201 W N 0.299 121.452 121.300 -0.245 0.000 2.302 201 W HA -0.239 4.420 4.660 -0.001 0.000 0.320 201 W C 2.115 178.486 176.519 -0.247 0.000 1.241 201 W CA 2.575 59.788 57.345 -0.219 0.000 1.264 201 W CB -0.467 28.840 29.460 -0.256 0.000 1.154 201 W HN 0.208 nan 8.180 nan 0.000 0.483 202 V N -0.626 119.204 119.914 -0.139 0.000 2.788 202 V HA -0.218 3.901 4.120 -0.001 0.000 0.251 202 V C 1.732 177.571 176.094 -0.425 0.000 1.068 202 V CA 1.574 63.703 62.300 -0.285 0.000 1.090 202 V CB -0.670 31.072 31.823 -0.135 0.000 0.710 202 V HN 0.250 nan 8.190 nan 0.000 0.467 203 Y N 0.611 120.601 120.300 -0.516 0.000 2.352 203 Y HA -0.132 4.418 4.550 -0.001 0.000 0.292 203 Y C 2.548 178.134 175.900 -0.523 0.000 1.136 203 Y CA 2.004 59.733 58.100 -0.619 0.000 1.227 203 Y CB 0.120 37.939 38.460 -1.068 0.000 0.991 203 Y HN 0.376 nan 8.280 nan 0.000 0.545 204 E N 0.001 119.983 120.200 -0.364 0.000 2.112 204 E HA -0.216 4.134 4.350 -0.001 0.000 0.190 204 E C 1.821 178.304 176.600 -0.195 0.000 0.979 204 E CA 1.190 57.452 56.400 -0.231 0.000 0.814 204 E CB 0.166 29.753 29.700 -0.188 0.000 0.762 204 E HN 0.386 nan 8.360 nan 0.000 0.460 205 E N 0.154 120.087 120.200 -0.446 0.000 2.190 205 E HA -0.080 4.270 4.350 -0.001 0.000 0.191 205 E C 1.391 177.872 176.600 -0.199 0.000 0.978 205 E CA 0.970 57.136 56.400 -0.390 0.000 0.839 205 E CB 0.339 29.510 29.700 -0.881 0.000 0.787 205 E HN 0.126 nan 8.360 nan 0.000 0.473 206 E N -0.853 119.202 120.200 -0.242 0.000 2.465 206 E HA 0.141 4.491 4.350 -0.001 0.000 0.209 206 E C 1.376 177.888 176.600 -0.148 0.000 0.951 206 E CA 0.317 56.636 56.400 -0.136 0.000 0.997 206 E CB 1.288 30.889 29.700 -0.166 0.000 1.025 206 E HN 0.169 nan 8.360 nan 0.000 0.500 207 V N -0.369 119.435 119.914 -0.183 0.000 2.948 207 V HA 0.066 4.186 4.120 -0.001 0.000 0.234 207 V C 1.346 177.621 176.094 0.302 0.000 1.205 207 V CA 0.543 62.817 62.300 -0.043 0.000 1.234 207 V CB -0.053 31.605 31.823 -0.276 0.000 1.020 207 V HN 0.023 nan 8.190 nan 0.000 0.491 208 F N 0.589 120.512 119.950 -0.044 0.000 2.714 208 F HA 0.335 4.862 4.527 -0.001 0.000 0.294 208 F C 1.682 177.437 175.800 -0.075 0.000 1.120 208 F CA -0.025 57.972 58.000 -0.004 0.000 1.398 208 F CB -0.541 38.481 39.000 0.036 0.000 1.120 208 F HN 0.112 nan 8.300 nan 0.000 0.589 209 S N 0.241 115.986 115.700 0.076 0.000 3.581 209 S HA 0.005 4.474 4.470 -0.001 0.000 0.354 209 S C 0.124 174.449 174.600 -0.458 0.000 1.059 209 S CA 0.522 58.664 58.200 -0.096 0.000 1.060 209 S CB -1.558 61.611 63.200 -0.052 0.000 0.908 209 S HN 0.661 nan 8.310 nan 0.000 0.475 210 A N -0.808 121.879 122.820 -0.222 0.000 2.608 210 A HA 0.694 5.013 4.320 -0.001 0.000 0.292 210 A C -0.313 177.251 177.584 -0.034 0.000 1.066 210 A CA -0.358 51.539 52.037 -0.234 0.000 0.676 210 A CB 0.255 19.166 19.000 -0.149 0.000 1.277 210 A HN 0.351 nan 8.150 nan 0.000 0.413 211 Y N 1.813 121.963 120.300 -0.249 0.000 2.231 211 Y HA 0.135 4.684 4.550 -0.001 0.000 0.294 211 Y C 1.681 177.331 175.900 -0.416 0.000 1.120 211 Y CA 1.126 59.065 58.100 -0.268 0.000 1.141 211 Y CB -0.275 38.053 38.460 -0.220 0.000 1.022 211 Y HN 0.835 nan 8.280 nan 0.000 0.523 212 S N 0.756 115.974 115.700 -0.803 0.000 2.579 212 S HA 0.445 4.915 4.470 -0.001 0.000 0.275 212 S C 0.219 174.463 174.600 -0.593 0.000 1.345 212 S CA -0.138 57.411 58.200 -1.085 0.000 1.031 212 S CB 1.200 63.142 63.200 -2.096 0.000 0.892 212 S HN 0.579 nan 8.310 nan 0.000 0.529 213 A N 3.241 125.697 122.820 -0.606 0.000 3.176 213 A HA 0.568 4.888 4.320 -0.001 0.000 0.265 213 A C -0.461 176.552 177.584 -0.952 0.000 0.936 213 A CA -0.601 51.081 52.037 -0.591 0.000 1.033 213 A CB -0.037 18.992 19.000 0.049 0.000 1.158 213 A HN 0.784 nan 8.150 nan 0.000 0.485 214 L N 0.580 121.086 121.223 -1.195 0.000 2.408 214 L HA 0.601 4.940 4.340 -0.001 0.000 0.268 214 L C -1.320 175.167 176.870 -0.639 0.000 0.986 214 L CA -0.478 53.976 54.840 -0.643 0.000 0.820 214 L CB 2.066 43.990 42.059 -0.225 0.000 1.303 214 L HN 0.524 nan 8.230 nan 0.000 0.411 215 W N 2.798 124.215 121.300 0.195 0.000 2.604 215 W HA 0.199 4.858 4.660 -0.001 0.000 0.302 215 W C -1.003 175.856 176.519 0.567 0.000 1.013 215 W CA -1.040 56.538 57.345 0.388 0.000 1.338 215 W CB 1.028 30.717 29.460 0.380 0.000 1.233 215 W HN 0.501 nan 8.180 nan 0.000 0.390 216 W N 2.554 124.159 121.300 0.508 0.000 2.193 216 W HA 0.165 4.825 4.660 -0.001 0.000 0.338 216 W C 1.375 177.852 176.519 -0.070 0.000 1.310 216 W CA 0.612 58.110 57.345 0.255 0.000 1.243 216 W CB 0.745 30.291 29.460 0.144 0.000 1.165 216 W HN 0.156 nan 8.180 nan 0.000 0.566 217 S N 2.675 118.199 115.700 -0.294 0.000 2.614 217 S HA 0.238 4.708 4.470 -0.001 0.000 0.265 217 S C -1.771 172.552 174.600 -0.461 0.000 1.303 217 S CA -1.135 56.230 58.200 -1.392 0.000 1.000 217 S CB 1.164 63.434 63.200 -1.551 0.000 0.935 217 S HN 0.281 nan 8.310 nan 0.000 0.551 218 P HA -0.196 nan 4.420 nan 0.000 0.219 218 P C 0.914 178.165 177.300 -0.081 0.000 1.158 218 P CA 1.555 64.602 63.100 -0.088 0.000 0.895 218 P CB -0.028 31.663 31.700 -0.016 0.000 0.792 219 N N -2.585 116.044 118.700 -0.118 0.000 2.230 219 N HA 0.054 4.794 4.740 -0.001 0.000 0.202 219 N C 0.878 176.300 175.510 -0.146 0.000 1.119 219 N CA 0.729 53.715 53.050 -0.108 0.000 0.851 219 N CB 0.273 38.708 38.487 -0.086 0.000 0.990 219 N HN 0.097 nan 8.380 nan 0.000 0.497 220 G N 0.233 108.948 108.800 -0.141 0.000 2.176 220 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.253 220 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.253 220 G C 1.001 175.906 174.900 0.009 0.000 0.979 220 G CA 0.912 45.948 45.100 -0.108 0.000 0.641 220 G HN 0.358 nan 8.290 nan 0.000 0.530 221 T N 0.129 114.579 114.554 -0.173 0.000 2.737 221 T HA 0.215 4.565 4.350 -0.001 0.000 0.265 221 T C 0.827 175.335 174.700 -0.320 0.000 1.038 221 T CA 1.392 63.267 62.100 -0.375 0.000 1.144 221 T CB -0.087 68.301 68.868 -0.800 0.000 0.866 221 T HN 0.298 nan 8.240 nan 0.000 0.434 222 F N 0.302 120.309 119.950 0.095 0.000 2.458 222 F HA 0.648 5.174 4.527 -0.001 0.000 0.330 222 F C -0.242 175.683 175.800 0.208 0.000 1.082 222 F CA -1.915 56.191 58.000 0.176 0.000 0.995 222 F CB 1.101 40.266 39.000 0.275 0.000 1.170 222 F HN -0.127 nan 8.300 nan 0.000 0.478 223 L N 2.653 124.085 121.223 0.349 0.000 2.377 223 L HA 0.798 5.138 4.340 -0.001 0.000 0.270 223 L C -0.488 176.524 176.870 0.237 0.000 0.991 223 L CA -0.533 54.334 54.840 0.046 0.000 0.851 223 L CB 0.518 42.304 42.059 -0.455 0.000 1.218 223 L HN 0.689 nan 8.230 nan 0.000 0.420 224 A N 4.514 127.575 122.820 0.403 0.000 2.264 224 A HA 0.811 5.131 4.320 -0.001 0.000 0.304 224 A C -1.296 176.436 177.584 0.246 0.000 1.100 224 A CA -0.080 52.043 52.037 0.143 0.000 0.839 224 A CB 0.622 19.670 19.000 0.079 0.000 1.121 224 A HN 1.013 nan 8.150 nan 0.000 0.496 225 Y N -2.888 117.282 120.300 -0.217 0.000 2.620 225 Y HA 0.654 5.204 4.550 -0.001 0.000 0.331 225 Y C -0.533 175.308 175.900 -0.097 0.000 1.173 225 Y CA -0.768 57.304 58.100 -0.048 0.000 1.076 225 Y CB 0.505 38.879 38.460 -0.144 0.000 1.336 225 Y HN 1.036 nan 8.280 nan 0.000 0.459 226 A N 2.520 125.449 122.820 0.182 0.000 2.306 226 A HA 0.712 5.031 4.320 -0.001 0.000 0.330 226 A C -1.119 176.348 177.584 -0.196 0.000 1.146 226 A CA -0.829 51.152 52.037 -0.095 0.000 0.827 226 A CB 1.730 20.680 19.000 -0.084 0.000 1.178 226 A HN 0.826 nan 8.150 nan 0.000 0.490 227 Q N 0.829 120.383 119.800 -0.412 0.000 2.330 227 Q HA 0.602 4.942 4.340 -0.001 0.000 0.269 227 Q C -2.063 173.580 176.000 -0.595 0.000 1.022 227 Q CA -0.379 55.275 55.803 -0.249 0.000 0.796 227 Q CB 1.058 29.855 28.738 0.098 0.000 1.271 227 Q HN 0.588 nan 8.270 nan 0.000 0.450 228 F N 2.446 122.452 119.950 0.094 0.000 2.436 228 F HA 0.392 4.919 4.527 -0.001 0.000 0.340 228 F C 0.412 176.333 175.800 0.201 0.000 1.113 228 F CA -0.891 57.143 58.000 0.056 0.000 1.022 228 F CB 1.374 40.310 39.000 -0.106 0.000 1.128 228 F HN 0.437 nan 8.300 nan 0.000 0.466 229 N N 2.281 121.149 118.700 0.281 0.000 2.518 229 N HA 0.182 4.921 4.740 -0.001 0.000 0.254 229 N C -0.546 175.105 175.510 0.235 0.000 0.979 229 N CA -0.211 52.975 53.050 0.227 0.000 0.930 229 N CB 0.948 39.516 38.487 0.135 0.000 1.152 229 N HN 0.564 nan 8.380 nan 0.000 0.505 230 D N 1.086 121.654 120.400 0.279 0.000 2.339 230 D HA 0.068 4.707 4.640 -0.001 0.000 0.217 230 D C 1.239 177.635 176.300 0.159 0.000 1.050 230 D CA 0.371 54.514 54.000 0.239 0.000 0.856 230 D CB 0.494 41.495 40.800 0.335 0.000 0.922 230 D HN 0.502 nan 8.370 nan 0.000 0.518 231 T N 0.275 114.904 114.554 0.126 0.000 2.701 231 T HA -0.263 4.086 4.350 -0.001 0.000 0.265 231 T C 1.400 176.142 174.700 0.069 0.000 1.032 231 T CA 1.428 63.578 62.100 0.082 0.000 1.158 231 T CB -0.134 68.772 68.868 0.064 0.000 0.854 231 T HN 0.305 nan 8.240 nan 0.000 0.463 232 E N -0.012 120.232 120.200 0.073 0.000 2.501 232 E HA 0.195 4.545 4.350 -0.001 0.000 0.200 232 E C -0.515 176.123 176.600 0.063 0.000 1.016 232 E CA -0.256 56.179 56.400 0.058 0.000 0.921 232 E CB 0.634 30.363 29.700 0.047 0.000 1.034 232 E HN 0.195 nan 8.360 nan 0.000 0.468 233 V N 3.267 123.230 119.914 0.082 0.000 2.488 233 V HA 0.134 4.254 4.120 -0.001 0.000 0.277 233 V C -2.073 174.064 176.094 0.071 0.000 1.046 233 V CA -1.575 60.776 62.300 0.085 0.000 0.986 233 V CB 0.676 32.566 31.823 0.111 0.000 0.989 233 V HN 0.054 nan 8.190 nan 0.000 0.475 234 P HA 0.281 nan 4.420 nan 0.000 0.272 234 P C -0.687 176.637 177.300 0.041 0.000 1.223 234 P CA -0.293 62.833 63.100 0.044 0.000 0.784 234 P CB 0.537 32.263 31.700 0.043 0.000 0.923 235 L N 2.483 123.708 121.223 0.003 0.000 2.312 235 L HA 0.426 4.766 4.340 -0.001 0.000 0.281 235 L C 0.400 177.207 176.870 -0.105 0.000 1.070 235 L CA -0.904 53.913 54.840 -0.037 0.000 0.805 235 L CB 0.774 42.802 42.059 -0.052 0.000 1.174 235 L HN 0.300 nan 8.230 nan 0.000 0.434 236 I N 2.474 122.925 120.570 -0.198 0.000 2.396 236 I HA 0.249 4.419 4.170 -0.001 0.000 0.292 236 I C -0.379 175.531 176.117 -0.345 0.000 0.999 236 I CA 0.061 61.149 61.300 -0.353 0.000 1.310 236 I CB 0.937 38.483 38.000 -0.757 0.000 1.404 236 I HN 0.560 nan 8.210 nan 0.000 0.496 237 E N 7.655 127.684 120.200 -0.285 0.000 2.224 237 E HA 0.453 4.803 4.350 -0.001 0.000 0.265 237 E C -1.727 174.756 176.600 -0.196 0.000 0.878 237 E CA -0.549 55.678 56.400 -0.289 0.000 0.759 237 E CB 1.917 31.500 29.700 -0.195 0.000 1.164 237 E HN 0.607 nan 8.360 nan 0.000 0.414 238 Y N -1.447 118.737 120.300 -0.194 0.000 2.644 238 Y HA 0.640 5.190 4.550 -0.001 0.000 0.338 238 Y C -0.551 175.251 175.900 -0.162 0.000 1.119 238 Y CA -1.299 56.694 58.100 -0.179 0.000 1.060 238 Y CB 1.036 39.386 38.460 -0.183 0.000 1.294 238 Y HN 0.167 nan 8.280 nan 0.000 0.472 239 S N 1.476 117.189 115.700 0.022 0.000 2.554 239 S HA 0.500 4.969 4.470 -0.001 0.000 0.278 239 S C -1.554 172.905 174.600 -0.236 0.000 1.242 239 S CA -0.519 57.536 58.200 -0.240 0.000 1.051 239 S CB 0.690 63.561 63.200 -0.548 0.000 0.986 239 S HN 0.541 nan 8.310 nan 0.000 0.502 240 F N 2.564 122.293 119.950 -0.368 0.000 2.460 240 F HA 0.432 4.958 4.527 -0.001 0.000 0.341 240 F C -0.288 175.297 175.800 -0.358 0.000 1.130 240 F CA -0.874 57.003 58.000 -0.206 0.000 0.962 240 F CB 0.730 39.722 39.000 -0.013 0.000 1.171 240 F HN 0.648 nan 8.300 nan 0.000 0.436 241 Y N 2.923 122.953 120.300 -0.450 0.000 2.475 241 Y HA 0.123 4.673 4.550 -0.001 0.000 0.289 241 Y C 1.702 177.537 175.900 -0.109 0.000 1.121 241 Y CA 0.973 58.945 58.100 -0.214 0.000 1.257 241 Y CB -0.702 37.621 38.460 -0.228 0.000 1.026 241 Y HN 0.757 nan 8.280 nan 0.000 0.555 242 S N -0.072 115.566 115.700 -0.103 0.000 3.443 242 S HA -0.329 4.140 4.470 -0.001 0.000 0.635 242 S C -0.170 174.508 174.600 0.130 0.000 2.555 242 S CA 0.291 58.640 58.200 0.248 0.000 2.778 242 S CB -1.320 62.088 63.200 0.347 0.000 0.331 242 S HN 0.603 nan 8.310 nan 0.000 1.765 243 D N 1.098 121.585 120.400 0.145 0.000 2.443 243 D HA 0.236 4.875 4.640 -0.001 0.000 0.239 243 D C 1.452 177.791 176.300 0.066 0.000 1.136 243 D CA 0.923 54.978 54.000 0.092 0.000 0.879 243 D CB 0.537 41.389 40.800 0.087 0.000 1.195 243 D HN 0.543 nan 8.370 nan 0.000 0.443 244 E N 1.679 121.904 120.200 0.042 0.000 2.169 244 E HA -0.334 4.016 4.350 -0.001 0.000 0.202 244 E C 1.485 178.100 176.600 0.025 0.000 1.016 244 E CA 1.670 58.085 56.400 0.024 0.000 0.817 244 E CB -0.014 29.693 29.700 0.012 0.000 0.736 244 E HN 0.567 nan 8.360 nan 0.000 0.462 245 S N 0.185 115.905 115.700 0.033 0.000 2.469 245 S HA -0.112 4.357 4.470 -0.001 0.000 0.238 245 S C 1.183 175.807 174.600 0.040 0.000 0.998 245 S CA 0.165 58.383 58.200 0.031 0.000 0.957 245 S CB -0.295 62.926 63.200 0.035 0.000 0.764 245 S HN 0.319 nan 8.310 nan 0.000 0.514 246 L N 2.441 123.698 121.223 0.056 0.000 2.485 246 L HA 0.124 4.463 4.340 -0.001 0.000 0.279 246 L C 1.640 178.542 176.870 0.053 0.000 1.124 246 L CA -0.009 54.875 54.840 0.074 0.000 0.888 246 L CB 0.637 42.756 42.059 0.100 0.000 1.217 246 L HN 0.428 nan 8.230 nan 0.000 0.464 247 Q N 3.875 123.706 119.800 0.050 0.000 2.170 247 Q HA -0.129 4.211 4.340 -0.001 0.000 0.203 247 Q C -0.714 175.178 176.000 -0.179 0.000 0.976 247 Q CA 1.473 57.244 55.803 -0.053 0.000 0.858 247 Q CB 0.223 28.953 28.738 -0.013 0.000 0.907 247 Q HN 0.592 nan 8.270 nan 0.000 0.433 248 Y N -0.436 119.874 120.300 0.017 0.000 2.425 248 Y HA 0.390 4.939 4.550 -0.001 0.000 0.344 248 Y C -2.126 173.774 175.900 -0.001 0.000 0.969 248 Y CA -2.923 55.180 58.100 0.006 0.000 1.052 248 Y CB 1.574 40.030 38.460 -0.007 0.000 1.215 248 Y HN 0.053 nan 8.280 nan 0.000 0.451 249 P HA 0.109 nan 4.420 nan 0.000 0.272 249 P C -0.951 176.344 177.300 -0.009 0.000 1.230 249 P CA -0.636 62.452 63.100 -0.020 0.000 0.788 249 P CB 0.775 32.374 31.700 -0.168 0.000 0.949 250 K N 0.445 120.822 120.400 -0.037 0.000 2.123 250 K HA 0.421 4.740 4.320 -0.001 0.000 0.259 250 K C -0.856 175.698 176.600 -0.076 0.000 0.960 250 K CA -0.398 55.879 56.287 -0.017 0.000 0.872 250 K CB 0.705 33.234 32.500 0.048 0.000 1.079 250 K HN 0.305 nan 8.250 nan 0.000 0.440 251 T N 2.998 117.494 114.554 -0.096 0.000 2.770 251 T HA 0.241 4.591 4.350 -0.001 0.000 0.297 251 T C -0.591 173.993 174.700 -0.194 0.000 0.997 251 T CA -0.616 61.394 62.100 -0.149 0.000 0.949 251 T CB 0.914 69.702 68.868 -0.134 0.000 0.941 251 T HN 0.291 nan 8.240 nan 0.000 0.457 252 V N 5.840 125.565 119.914 -0.314 0.000 2.649 252 V HA 0.544 4.663 4.120 -0.001 0.000 0.292 252 V C 0.449 176.247 176.094 -0.493 0.000 1.055 252 V CA -0.702 61.357 62.300 -0.401 0.000 1.023 252 V CB 0.639 32.118 31.823 -0.573 0.000 0.992 252 V HN 0.790 nan 8.190 nan 0.000 0.480 253 R N 4.735 125.057 120.500 -0.295 0.000 2.574 253 R HA 0.746 5.085 4.340 -0.001 0.000 0.288 253 R C -1.794 174.424 176.300 -0.138 0.000 1.004 253 R CA -0.669 55.283 56.100 -0.246 0.000 0.895 253 R CB 1.787 31.993 30.300 -0.156 0.000 1.191 253 R HN 0.595 nan 8.270 nan 0.000 0.444 254 I N 2.470 122.941 120.570 -0.165 0.000 2.582 254 I HA 0.361 4.530 4.170 -0.001 0.000 0.292 254 I C -2.459 173.648 176.117 -0.017 0.000 1.066 254 I CA -2.858 58.405 61.300 -0.060 0.000 1.053 254 I CB 3.151 41.028 38.000 -0.204 0.000 1.241 254 I HN 0.319 nan 8.210 nan 0.000 0.421 255 P HA 0.104 nan 4.420 nan 0.000 0.273 255 P C -1.533 175.854 177.300 0.145 0.000 1.319 255 P CA 0.172 63.347 63.100 0.124 0.000 0.885 255 P CB -0.192 31.622 31.700 0.190 0.000 1.015 256 Y N 6.685 126.938 120.300 -0.078 0.000 2.346 256 Y HA 0.501 5.051 4.550 -0.001 0.000 0.332 256 Y C -2.731 173.138 175.900 -0.052 0.000 0.985 256 Y CA -2.969 55.049 58.100 -0.136 0.000 1.112 256 Y CB 2.055 40.280 38.460 -0.392 0.000 1.170 256 Y HN 0.256 nan 8.280 nan 0.000 0.447 257 P HA 0.287 nan 4.420 nan 0.000 0.295 257 P C -1.059 176.237 177.300 -0.006 0.000 1.354 257 P CA -0.374 62.732 63.100 0.010 0.000 0.814 257 P CB 1.555 33.258 31.700 0.004 0.000 0.935 258 K N 1.967 122.462 120.400 0.158 0.000 2.140 258 K HA 0.498 4.818 4.320 -0.001 0.000 0.237 258 K C 0.679 177.354 176.600 0.125 0.000 1.045 258 K CA -0.645 55.759 56.287 0.195 0.000 0.896 258 K CB 0.406 33.054 32.500 0.246 0.000 1.122 258 K HN 0.452 nan 8.250 nan 0.000 0.503 259 A N 0.349 123.264 122.820 0.160 0.000 2.546 259 A HA 0.305 4.624 4.320 -0.001 0.000 0.243 259 A C 1.171 178.785 177.584 0.050 0.000 1.063 259 A CA 0.872 52.989 52.037 0.133 0.000 0.757 259 A CB -1.042 18.077 19.000 0.198 0.000 0.991 259 A HN 0.875 nan 8.150 nan 0.000 0.503 260 G N 0.754 109.582 108.800 0.046 0.000 2.189 260 G HA2 0.073 4.032 3.960 -0.001 0.000 0.267 260 G HA3 0.073 4.032 3.960 -0.001 0.000 0.267 260 G C 0.695 175.610 174.900 0.025 0.000 0.975 260 G CA 0.907 46.016 45.100 0.016 0.000 0.644 260 G HN 2.169 nan 8.290 nan 0.000 0.537 261 A N -0.270 122.576 122.820 0.043 0.000 2.259 261 A HA 0.639 4.959 4.320 -0.001 0.000 0.278 261 A C 0.581 178.192 177.584 0.045 0.000 1.107 261 A CA -0.198 51.866 52.037 0.045 0.000 0.828 261 A CB 0.326 19.363 19.000 0.062 0.000 1.111 261 A HN 0.235 nan 8.150 nan 0.000 0.498 262 E N 1.536 121.763 120.200 0.044 0.000 2.415 262 E HA 0.042 4.392 4.350 -0.001 0.000 0.260 262 E C -0.445 176.193 176.600 0.063 0.000 1.016 262 E CA 0.165 56.591 56.400 0.044 0.000 0.924 262 E CB 0.155 29.880 29.700 0.042 0.000 0.961 262 E HN 0.478 nan 8.360 nan 0.000 0.459 263 N N 3.485 122.224 118.700 0.065 0.000 2.463 263 N HA 0.345 5.084 4.740 -0.001 0.000 0.270 263 N C -2.301 173.284 175.510 0.124 0.000 1.205 263 N CA -1.395 51.718 53.050 0.106 0.000 0.974 263 N CB 0.485 39.041 38.487 0.114 0.000 1.197 263 N HN 0.230 nan 8.380 nan 0.000 0.504 264 P HA 0.153 nan 4.420 nan 0.000 0.282 264 P C -0.611 176.822 177.300 0.221 0.000 1.249 264 P CA -0.265 62.964 63.100 0.215 0.000 0.806 264 P CB 0.655 32.512 31.700 0.262 0.000 0.984 265 T N -0.900 113.749 114.554 0.159 0.000 2.934 265 T HA 0.535 4.885 4.350 -0.001 0.000 0.283 265 T C -0.001 174.758 174.700 0.098 0.000 1.005 265 T CA -0.729 61.428 62.100 0.094 0.000 1.041 265 T CB 1.408 70.304 68.868 0.046 0.000 1.042 265 T HN 0.334 nan 8.240 nan 0.000 0.505 266 V N 0.283 120.226 119.914 0.047 0.000 3.074 266 V HA 0.840 4.960 4.120 -0.001 0.000 0.314 266 V C -1.505 174.585 176.094 -0.007 0.000 1.117 266 V CA -0.963 61.290 62.300 -0.079 0.000 1.014 266 V CB 2.092 33.886 31.823 -0.049 0.000 1.057 266 V HN 1.070 nan 8.190 nan 0.000 0.438 267 K N 3.246 123.579 120.400 -0.112 0.000 2.542 267 K HA 0.457 4.776 4.320 -0.001 0.000 0.259 267 K C -2.094 174.393 176.600 -0.189 0.000 0.932 267 K CA -0.358 55.863 56.287 -0.111 0.000 0.820 267 K CB 2.536 34.983 32.500 -0.089 0.000 1.345 267 K HN 0.560 nan 8.250 nan 0.000 0.432 268 F N 2.730 122.406 119.950 -0.456 0.000 2.495 268 F HA 0.620 5.146 4.527 -0.001 0.000 0.327 268 F C -1.422 173.884 175.800 -0.824 0.000 1.103 268 F CA -0.622 57.103 58.000 -0.458 0.000 0.949 268 F CB 0.831 39.677 39.000 -0.257 0.000 1.142 268 F HN 0.377 nan 8.300 nan 0.000 0.457 269 F N 4.326 123.567 119.950 -1.181 0.000 2.569 269 F HA 0.603 5.129 4.527 -0.001 0.000 0.312 269 F C -1.013 174.312 175.800 -0.792 0.000 1.109 269 F CA -1.149 56.340 58.000 -0.853 0.000 0.919 269 F CB 2.077 40.523 39.000 -0.923 0.000 1.211 269 F HN 0.074 nan 8.300 nan 0.000 0.446 270 V N 3.970 123.762 119.914 -0.203 0.000 2.357 270 V HA 0.466 4.586 4.120 -0.001 0.000 0.284 270 V C -0.475 175.730 176.094 0.185 0.000 1.018 270 V CA -0.791 61.430 62.300 -0.131 0.000 0.841 270 V CB 1.450 32.971 31.823 -0.502 0.000 0.991 270 V HN 0.525 nan 8.190 nan 0.000 0.437 271 V N 3.520 123.597 119.914 0.271 0.000 2.481 271 V HA 0.342 4.462 4.120 -0.001 0.000 0.286 271 V C 0.021 176.402 176.094 0.478 0.000 1.042 271 V CA -0.446 62.049 62.300 0.326 0.000 0.928 271 V CB 1.918 33.871 31.823 0.216 0.000 0.986 271 V HN 0.870 nan 8.190 nan 0.000 0.462 272 D N 3.281 123.965 120.400 0.473 0.000 2.441 272 D HA 0.098 4.737 4.640 -0.001 0.000 0.221 272 D C 1.480 177.917 176.300 0.227 0.000 1.156 272 D CA 0.091 54.370 54.000 0.464 0.000 0.896 272 D CB 1.500 42.583 40.800 0.470 0.000 1.028 272 D HN 0.756 nan 8.370 nan 0.000 0.509 273 T N 1.517 116.170 114.554 0.165 0.000 2.897 273 T HA -0.181 4.169 4.350 -0.001 0.000 0.271 273 T C 1.704 176.455 174.700 0.085 0.000 1.084 273 T CA 0.793 62.971 62.100 0.131 0.000 1.123 273 T CB -0.034 68.954 68.868 0.201 0.000 0.865 273 T HN 0.344 nan 8.240 nan 0.000 0.496 274 R N 1.290 121.819 120.500 0.049 0.000 2.105 274 R HA -0.057 4.282 4.340 -0.001 0.000 0.239 274 R C 2.736 179.071 176.300 0.058 0.000 1.135 274 R CA 1.864 57.984 56.100 0.034 0.000 0.967 274 R CB -0.854 29.450 30.300 0.007 0.000 0.861 274 R HN 0.703 nan 8.270 nan 0.000 0.442 275 T N -1.389 113.216 114.554 0.084 0.000 3.169 275 T HA 0.121 4.471 4.350 -0.001 0.000 0.250 275 T C 0.495 175.239 174.700 0.074 0.000 1.111 275 T CA -0.248 61.901 62.100 0.081 0.000 1.010 275 T CB 0.028 68.957 68.868 0.101 0.000 0.984 275 T HN -0.140 nan 8.240 nan 0.000 0.537 276 L N 3.071 124.338 121.223 0.073 0.000 2.530 276 L HA 0.501 4.840 4.340 -0.001 0.000 0.273 276 L C 0.288 177.190 176.870 0.054 0.000 1.141 276 L CA 0.278 55.156 54.840 0.064 0.000 0.905 276 L CB -0.079 42.018 42.059 0.063 0.000 1.202 276 L HN 0.427 nan 8.230 nan 0.000 0.473 277 S N 5.383 121.115 115.700 0.054 0.000 2.537 277 S HA 0.604 5.074 4.470 -0.001 0.000 0.270 277 S C -2.074 172.557 174.600 0.052 0.000 1.142 277 S CA -0.978 57.251 58.200 0.048 0.000 0.870 277 S CB 1.811 65.037 63.200 0.043 0.000 1.112 277 S HN 0.389 nan 8.310 nan 0.000 0.466 278 P HA -0.070 nan 4.420 nan 0.000 0.217 278 P C 0.323 177.652 177.300 0.048 0.000 1.148 278 P CA 1.259 64.392 63.100 0.056 0.000 0.828 278 P CB -0.056 31.674 31.700 0.050 0.000 0.783 279 N N -0.869 117.853 118.700 0.037 0.000 2.234 279 N HA 0.238 4.977 4.740 -0.001 0.000 0.227 279 N C 0.091 175.616 175.510 0.025 0.000 1.151 279 N CA -0.038 53.027 53.050 0.026 0.000 0.865 279 N CB 0.888 39.387 38.487 0.021 0.000 1.066 279 N HN 0.087 nan 8.380 nan 0.000 0.515 280 A N 0.713 123.555 122.820 0.035 0.000 2.324 280 A HA 0.565 4.885 4.320 -0.001 0.000 0.330 280 A C 0.661 178.270 177.584 0.042 0.000 1.165 280 A CA -0.506 51.554 52.037 0.040 0.000 0.813 280 A CB 0.951 19.981 19.000 0.050 0.000 1.197 280 A HN 0.171 nan 8.150 nan 0.000 0.484 281 S N 1.009 116.732 115.700 0.038 0.000 2.617 281 S HA 0.481 4.950 4.470 -0.001 0.000 0.259 281 S C 0.093 174.733 174.600 0.066 0.000 1.301 281 S CA -0.464 57.758 58.200 0.036 0.000 0.984 281 S CB 0.623 63.838 63.200 0.025 0.000 0.954 281 S HN 0.825 nan 8.310 nan 0.000 0.572 282 V N 1.572 121.533 119.914 0.077 0.000 2.546 282 V HA 0.325 4.445 4.120 -0.001 0.000 0.284 282 V C 0.416 176.580 176.094 0.117 0.000 1.050 282 V CA -0.427 61.930 62.300 0.096 0.000 0.981 282 V CB 1.209 33.087 31.823 0.092 0.000 0.990 282 V HN 1.011 nan 8.190 nan 0.000 0.474 283 T N 4.467 119.110 114.554 0.149 0.000 2.753 283 T HA 0.513 4.862 4.350 -0.001 0.000 0.297 283 T C -0.060 174.792 174.700 0.253 0.000 0.981 283 T CA -0.230 61.988 62.100 0.197 0.000 0.956 283 T CB 0.635 69.633 68.868 0.216 0.000 0.936 283 T HN 0.924 nan 8.240 nan 0.000 0.463 284 S N 3.403 119.264 115.700 0.268 0.000 2.541 284 S HA 0.660 5.129 4.470 -0.001 0.000 0.271 284 S C -1.627 173.207 174.600 0.390 0.000 1.133 284 S CA -0.944 57.449 58.200 0.321 0.000 0.876 284 S CB 1.548 64.899 63.200 0.252 0.000 1.105 284 S HN 0.558 nan 8.310 nan 0.000 0.470 285 Y N 1.778 122.244 120.300 0.276 0.000 2.393 285 Y HA 0.527 5.077 4.550 -0.001 0.000 0.341 285 Y C -0.216 175.751 175.900 0.112 0.000 0.988 285 Y CA -0.575 57.671 58.100 0.244 0.000 1.078 285 Y CB 1.817 40.505 38.460 0.380 0.000 1.203 285 Y HN 0.880 nan 8.280 nan 0.000 0.453 286 Q N 6.482 125.898 119.800 -0.640 0.000 2.303 286 Q HA 0.448 4.787 4.340 -0.001 0.000 0.257 286 Q C -1.211 174.360 176.000 -0.715 0.000 0.941 286 Q CA -0.503 54.857 55.803 -0.738 0.000 0.931 286 Q CB 0.746 29.059 28.738 -0.709 0.000 1.215 286 Q HN 0.743 nan 8.270 nan 0.000 0.437 287 I N 4.272 124.642 120.570 -0.334 0.000 2.315 287 I HA 0.249 4.418 4.170 -0.001 0.000 0.291 287 I C -0.152 175.920 176.117 -0.074 0.000 1.006 287 I CA -0.669 60.585 61.300 -0.075 0.000 1.265 287 I CB 1.329 39.404 38.000 0.124 0.000 1.387 287 I HN 0.295 nan 8.210 nan 0.000 0.475 288 V N 7.988 127.812 119.914 -0.150 0.000 2.834 288 V HA 0.423 4.542 4.120 -0.001 0.000 0.313 288 V C -1.862 173.962 176.094 -0.450 0.000 1.060 288 V CA -1.468 60.662 62.300 -0.284 0.000 0.989 288 V CB 1.503 33.164 31.823 -0.270 0.000 1.041 288 V HN 0.638 nan 8.190 nan 0.000 0.459 289 P HA 0.357 nan 4.420 nan 0.000 0.276 289 P C -2.832 174.050 177.300 -0.696 0.000 1.261 289 P CA -1.812 60.472 63.100 -1.360 0.000 0.800 289 P CB 0.048 30.280 31.700 -2.446 0.000 1.066 290 P HA -0.021 nan 4.420 nan 0.000 0.270 290 P C 0.821 177.947 177.300 -0.290 0.000 1.227 290 P CA 0.273 63.211 63.100 -0.269 0.000 0.788 290 P CB 0.034 31.650 31.700 -0.140 0.000 0.926 291 A N 1.636 124.337 122.820 -0.198 0.000 1.933 291 A HA -0.187 4.132 4.320 -0.001 0.000 0.218 291 A C 2.098 179.564 177.584 -0.196 0.000 1.175 291 A CA 2.252 54.175 52.037 -0.189 0.000 0.628 291 A CB -1.774 17.148 19.000 -0.130 0.000 0.814 291 A HN 0.618 nan 8.150 nan 0.000 0.444 292 S N -0.650 114.952 115.700 -0.163 0.000 2.442 292 S HA -0.081 4.389 4.470 -0.001 0.000 0.236 292 S C 1.608 176.024 174.600 -0.306 0.000 1.007 292 S CA 1.403 59.478 58.200 -0.208 0.000 0.965 292 S CB -0.535 62.591 63.200 -0.122 0.000 0.773 292 S HN 0.254 nan 8.310 nan 0.000 0.504 293 V N 1.344 121.095 119.914 -0.273 0.000 2.436 293 V HA 0.164 4.284 4.120 -0.001 0.000 0.240 293 V C 2.268 178.115 176.094 -0.412 0.000 1.040 293 V CA 0.957 63.077 62.300 -0.299 0.000 1.052 293 V CB -0.673 30.957 31.823 -0.322 0.000 0.707 293 V HN 0.433 nan 8.190 nan 0.000 0.469 294 L N -0.089 120.818 121.223 -0.528 0.000 2.351 294 L HA -0.197 4.142 4.340 -0.001 0.000 0.220 294 L C 2.184 178.910 176.870 -0.240 0.000 1.127 294 L CA 1.332 55.877 54.840 -0.492 0.000 0.786 294 L CB -0.241 41.564 42.059 -0.422 0.000 0.914 294 L HN 0.324 nan 8.230 nan 0.000 0.443 295 I N -0.807 119.639 120.570 -0.206 0.000 2.335 295 I HA -0.165 4.004 4.170 -0.001 0.000 0.251 295 I C 1.406 177.470 176.117 -0.089 0.000 1.129 295 I CA 1.167 62.383 61.300 -0.139 0.000 1.402 295 I CB -0.367 37.543 38.000 -0.151 0.000 1.069 295 I HN 0.374 nan 8.210 nan 0.000 0.424 296 G N -1.137 107.624 108.800 -0.065 0.000 3.058 296 G HA2 0.261 4.220 3.960 -0.001 0.000 0.282 296 G HA3 0.261 4.220 3.960 -0.001 0.000 0.282 296 G C -1.536 173.402 174.900 0.062 0.000 1.248 296 G CA -0.449 44.639 45.100 -0.021 0.000 0.822 296 G HN -0.124 nan 8.290 nan 0.000 0.579 297 D N 1.170 121.563 120.400 -0.011 0.000 2.424 297 D HA 0.434 5.074 4.640 -0.001 0.000 0.244 297 D C 0.250 176.473 176.300 -0.129 0.000 1.134 297 D CA 0.539 54.478 54.000 -0.102 0.000 0.881 297 D CB 0.552 41.253 40.800 -0.166 0.000 1.191 297 D HN 0.500 nan 8.370 nan 0.000 0.445 298 H N -0.540 118.387 119.070 -0.238 0.000 2.966 298 H HA 0.479 5.035 4.556 -0.001 0.000 0.330 298 H C -1.300 173.908 175.328 -0.200 0.000 1.292 298 H CA -0.797 55.125 56.048 -0.210 0.000 1.127 298 H CB 0.335 30.090 29.762 -0.011 0.000 1.863 298 H HN 0.283 nan 8.280 nan 0.000 0.543 299 Y N -0.142 120.373 120.300 0.357 0.000 2.576 299 Y HA 0.415 4.965 4.550 -0.001 0.000 0.346 299 Y C -0.407 175.822 175.900 0.549 0.000 1.018 299 Y CA -1.192 57.145 58.100 0.396 0.000 1.050 299 Y CB 1.949 40.486 38.460 0.127 0.000 1.280 299 Y HN 0.486 nan 8.280 nan 0.000 0.474 300 L N 2.803 124.464 121.223 0.729 0.000 2.264 300 L HA 0.475 4.815 4.340 -0.001 0.000 0.289 300 L C 0.169 177.332 176.870 0.490 0.000 1.044 300 L CA -0.432 54.536 54.840 0.213 0.000 0.807 300 L CB 0.486 42.553 42.059 0.013 0.000 1.192 300 L HN 0.931 nan 8.230 nan 0.000 0.425 301 C N 1.735 121.135 119.300 0.167 0.000 3.385 301 C HA 0.883 5.342 4.460 -0.001 0.000 0.288 301 C C 0.600 175.496 174.990 -0.156 0.000 1.429 301 C CA -0.077 59.050 59.018 0.181 0.000 1.778 301 C CB -0.912 26.907 27.740 0.132 0.000 2.503 301 C HN 0.979 nan 8.230 nan 0.000 0.646 302 G N 0.122 108.702 108.800 -0.367 0.000 2.691 302 G HA2 0.563 4.523 3.960 -0.001 0.000 0.298 302 G HA3 0.563 4.523 3.960 -0.001 0.000 0.298 302 G C -1.800 172.680 174.900 -0.700 0.000 1.471 302 G CA -0.188 44.609 45.100 -0.505 0.000 0.912 302 G HN 0.392 nan 8.290 nan 0.000 0.553 303 V N 0.641 120.083 119.914 -0.787 0.000 2.808 303 V HA 0.866 4.986 4.120 -0.001 0.000 0.308 303 V C -0.441 175.197 176.094 -0.760 0.000 1.099 303 V CA -0.744 60.938 62.300 -1.032 0.000 0.920 303 V CB 2.318 33.077 31.823 -1.775 0.000 1.014 303 V HN 0.977 nan 8.190 nan 0.000 0.425 304 T N 2.489 116.649 114.554 -0.657 0.000 3.293 304 T HA 0.314 4.663 4.350 -0.001 0.000 0.320 304 T C -1.030 173.457 174.700 -0.355 0.000 0.995 304 T CA -0.456 61.420 62.100 -0.372 0.000 1.041 304 T CB 0.752 69.496 68.868 -0.208 0.000 1.058 304 T HN 0.551 nan 8.240 nan 0.000 0.453 305 W N 2.464 123.671 121.300 -0.155 0.000 2.253 305 W HA 0.349 5.008 4.660 -0.001 0.000 0.322 305 W C 1.127 177.557 176.519 -0.148 0.000 1.342 305 W CA -0.385 56.903 57.345 -0.095 0.000 1.218 305 W CB 0.728 30.220 29.460 0.053 0.000 1.205 305 W HN 0.475 nan 8.180 nan 0.000 0.551 306 V N 1.671 121.611 119.914 0.045 0.000 2.788 306 V HA 0.097 4.216 4.120 -0.001 0.000 0.241 306 V C 0.821 176.961 176.094 0.076 0.000 1.083 306 V CA 1.454 63.655 62.300 -0.165 0.000 1.103 306 V CB -0.049 31.423 31.823 -0.585 0.000 0.800 306 V HN 0.699 nan 8.190 nan 0.000 0.476 307 T N -4.319 110.346 114.554 0.185 0.000 2.671 307 T HA 0.302 4.652 4.350 -0.001 0.000 0.300 307 T C 0.240 175.112 174.700 0.286 0.000 1.238 307 T CA -0.466 61.750 62.100 0.193 0.000 1.020 307 T CB 1.800 70.764 68.868 0.159 0.000 1.503 307 T HN -0.073 nan 8.240 nan 0.000 0.497 308 E N 0.363 120.690 120.200 0.212 0.000 2.478 308 E HA 0.007 4.357 4.350 -0.001 0.000 0.198 308 E C 0.616 177.496 176.600 0.467 0.000 1.046 308 E CA 0.803 57.345 56.400 0.237 0.000 0.870 308 E CB 0.168 29.931 29.700 0.106 0.000 0.818 308 E HN 0.695 nan 8.360 nan 0.000 0.527 309 E N -0.001 120.445 120.200 0.411 0.000 2.810 309 E HA 0.159 4.508 4.350 -0.001 0.000 0.214 309 E C 0.061 176.908 176.600 0.412 0.000 0.980 309 E CA -0.140 56.471 56.400 0.351 0.000 1.159 309 E CB 1.091 30.921 29.700 0.217 0.000 1.047 309 E HN -0.131 nan 8.360 nan 0.000 0.484 310 R N 1.583 122.397 120.500 0.524 0.000 2.515 310 R HA 0.525 4.864 4.340 -0.001 0.000 0.291 310 R C -1.829 174.633 176.300 0.270 0.000 1.046 310 R CA -0.431 55.881 56.100 0.354 0.000 0.914 310 R CB 1.362 31.744 30.300 0.137 0.000 1.191 310 R HN 0.056 nan 8.270 nan 0.000 0.435 311 I N 2.142 122.749 120.570 0.062 0.000 2.608 311 I HA 0.412 4.581 4.170 -0.001 0.000 0.295 311 I C -1.197 174.674 176.117 -0.411 0.000 1.049 311 I CA -0.441 60.635 61.300 -0.373 0.000 1.063 311 I CB 2.350 39.811 38.000 -0.898 0.000 1.248 311 I HN 0.616 nan 8.210 nan 0.000 0.424 312 S N 7.455 122.837 115.700 -0.531 0.000 2.456 312 S HA 0.669 5.139 4.470 -0.001 0.000 0.316 312 S C -0.971 173.301 174.600 -0.547 0.000 1.089 312 S CA -0.653 57.283 58.200 -0.440 0.000 1.101 312 S CB 0.549 63.532 63.200 -0.362 0.000 0.995 312 S HN 0.494 nan 8.310 nan 0.000 0.468 313 L N 4.165 125.090 121.223 -0.497 0.000 2.334 313 L HA 0.615 4.955 4.340 -0.001 0.000 0.276 313 L C -0.204 176.377 176.870 -0.481 0.000 1.014 313 L CA -0.781 53.652 54.840 -0.678 0.000 0.815 313 L CB 1.886 43.489 42.059 -0.760 0.000 1.268 313 L HN 0.630 nan 8.230 nan 0.000 0.428 314 Q N 1.923 121.379 119.800 -0.573 0.000 2.325 314 Q HA 0.419 4.758 4.340 -0.001 0.000 0.270 314 Q C -2.002 173.801 176.000 -0.329 0.000 1.020 314 Q CA -0.494 55.119 55.803 -0.316 0.000 0.785 314 Q CB 1.378 29.963 28.738 -0.256 0.000 1.259 314 Q HN 0.470 nan 8.270 nan 0.000 0.452 315 W N 4.041 125.323 121.300 -0.030 0.000 2.689 315 W HA 0.684 5.344 4.660 -0.001 0.000 0.340 315 W C -0.641 175.949 176.519 0.118 0.000 1.060 315 W CA -0.720 56.666 57.345 0.069 0.000 1.218 315 W CB 1.310 30.793 29.460 0.039 0.000 1.410 315 W HN 0.563 nan 8.180 nan 0.000 0.528 316 I N 1.863 122.698 120.570 0.441 0.000 2.686 316 I HA 0.461 4.631 4.170 -0.001 0.000 0.295 316 I C -0.073 176.249 176.117 0.342 0.000 1.114 316 I CA -1.184 60.329 61.300 0.354 0.000 1.038 316 I CB 1.353 39.524 38.000 0.284 0.000 1.238 316 I HN 0.397 nan 8.210 nan 0.000 0.420 317 R N 4.660 125.323 120.500 0.271 0.000 2.694 317 R HA 0.160 4.499 4.340 -0.001 0.000 0.268 317 R C 1.131 177.479 176.300 0.081 0.000 1.061 317 R CA -0.087 56.094 56.100 0.135 0.000 1.133 317 R CB 0.570 30.909 30.300 0.065 0.000 1.020 317 R HN 0.636 nan 8.270 nan 0.000 0.475 318 R N 1.947 122.392 120.500 -0.092 0.000 2.119 318 R HA -0.151 4.188 4.340 -0.001 0.000 0.246 318 R C 0.181 176.524 176.300 0.072 0.000 1.146 318 R CA 1.873 57.890 56.100 -0.139 0.000 0.962 318 R CB -0.143 30.039 30.300 -0.197 0.000 0.863 318 R HN 0.673 nan 8.270 nan 0.000 0.442 319 A N 1.597 124.441 122.820 0.040 0.000 2.457 319 A HA 0.060 4.380 4.320 -0.001 0.000 0.298 319 A C -0.142 177.496 177.584 0.089 0.000 1.288 319 A CA -0.190 51.876 52.037 0.049 0.000 0.956 319 A CB 0.268 19.285 19.000 0.028 0.000 1.135 319 A HN 0.491 nan 8.150 nan 0.000 0.535 320 Q N 1.723 121.573 119.800 0.084 0.000 2.294 320 Q HA -0.041 4.299 4.340 -0.001 0.000 0.222 320 Q C 0.384 176.456 176.000 0.119 0.000 0.903 320 Q CA 0.142 56.010 55.803 0.109 0.000 0.966 320 Q CB -0.208 28.556 28.738 0.044 0.000 1.091 320 Q HN 0.867 nan 8.270 nan 0.000 0.438 321 N N -0.711 118.065 118.700 0.126 0.000 2.282 321 N HA -0.026 4.713 4.740 -0.001 0.000 0.240 321 N C -1.176 174.431 175.510 0.161 0.000 1.182 321 N CA -0.282 52.834 53.050 0.109 0.000 0.874 321 N CB 0.315 38.848 38.487 0.077 0.000 1.126 321 N HN 0.169 nan 8.380 nan 0.000 0.516 322 Y N 0.367 120.695 120.300 0.047 0.000 2.301 322 Y HA 0.532 5.081 4.550 -0.001 0.000 0.325 322 Y C -1.259 174.680 175.900 0.065 0.000 1.103 322 Y CA -1.131 56.995 58.100 0.045 0.000 1.182 322 Y CB 1.088 39.566 38.460 0.030 0.000 1.139 322 Y HN 0.051 nan 8.280 nan 0.000 0.443 323 S N 6.425 122.067 115.700 -0.096 0.000 2.648 323 S HA 0.862 5.332 4.470 -0.001 0.000 0.305 323 S C -1.532 172.996 174.600 -0.120 0.000 1.094 323 S CA -0.611 57.597 58.200 0.014 0.000 0.983 323 S CB 1.318 64.524 63.200 0.010 0.000 1.101 323 S HN 0.788 nan 8.310 nan 0.000 0.514 324 I N 2.500 123.094 120.570 0.040 0.000 2.710 324 I HA 0.449 4.619 4.170 -0.001 0.000 0.290 324 I C -1.850 174.312 176.117 0.075 0.000 1.318 324 I CA -0.798 60.523 61.300 0.035 0.000 1.045 324 I CB 1.384 39.451 38.000 0.111 0.000 1.307 324 I HN 0.709 nan 8.210 nan 0.000 0.424 325 I N 6.063 126.647 120.570 0.023 0.000 2.385 325 I HA 0.301 4.471 4.170 -0.001 0.000 0.294 325 I C -0.856 175.307 176.117 0.078 0.000 0.988 325 I CA -0.085 61.203 61.300 -0.019 0.000 1.265 325 I CB 1.318 39.216 38.000 -0.170 0.000 1.388 325 I HN 0.480 nan 8.210 nan 0.000 0.480 326 D N 7.075 127.506 120.400 0.051 0.000 2.440 326 D HA 0.407 5.047 4.640 -0.001 0.000 0.252 326 D C -0.612 175.691 176.300 0.005 0.000 1.180 326 D CA -0.311 53.730 54.000 0.069 0.000 0.894 326 D CB 0.869 41.733 40.800 0.107 0.000 1.111 326 D HN 0.231 nan 8.370 nan 0.000 0.544 327 I N 3.441 124.040 120.570 0.049 0.000 2.337 327 I HA 0.230 4.399 4.170 -0.001 0.000 0.291 327 I C -0.094 176.052 176.117 0.048 0.000 1.046 327 I CA -0.407 60.902 61.300 0.015 0.000 1.324 327 I CB 0.667 38.724 38.000 0.097 0.000 1.409 327 I HN 0.286 nan 8.210 nan 0.000 0.494 328 C N 4.971 124.297 119.300 0.043 0.000 2.355 328 C HA 0.417 4.876 4.460 -0.001 0.000 0.332 328 C C -0.139 175.012 174.990 0.269 0.000 1.255 328 C CA -0.753 58.358 59.018 0.156 0.000 1.792 328 C CB 0.803 28.657 27.740 0.190 0.000 2.300 328 C HN 0.594 nan 8.230 nan 0.000 0.515 329 D N 0.911 121.430 120.400 0.198 0.000 2.168 329 D HA 0.242 4.882 4.640 -0.001 0.000 0.246 329 D C -0.567 175.680 176.300 -0.089 0.000 1.050 329 D CA -0.157 53.909 54.000 0.110 0.000 0.857 329 D CB 1.010 41.831 40.800 0.035 0.000 1.169 329 D HN 0.569 nan 8.370 nan 0.000 0.453 330 Y N 1.612 121.591 120.300 -0.535 0.000 2.377 330 Y HA 0.181 4.731 4.550 -0.001 0.000 0.330 330 Y C -0.135 175.441 175.900 -0.541 0.000 1.108 330 Y CA -0.305 57.134 58.100 -1.102 0.000 1.308 330 Y CB 0.738 38.398 38.460 -1.333 0.000 1.216 330 Y HN 0.152 nan 8.280 nan 0.000 0.518 331 D N 5.026 124.778 120.400 -1.080 0.000 2.427 331 D HA 0.147 4.786 4.640 -0.001 0.000 0.226 331 D C 0.387 176.125 176.300 -0.936 0.000 1.076 331 D CA -0.175 53.392 54.000 -0.722 0.000 0.849 331 D CB 0.818 41.320 40.800 -0.496 0.000 1.052 331 D HN 0.788 nan 8.370 nan 0.000 0.515 332 E N 1.213 121.041 120.200 -0.620 0.000 2.204 332 E HA -0.171 4.178 4.350 -0.001 0.000 0.195 332 E C 1.621 178.077 176.600 -0.239 0.000 0.990 332 E CA 1.095 57.266 56.400 -0.381 0.000 0.821 332 E CB 0.218 29.879 29.700 -0.065 0.000 0.750 332 E HN 0.559 nan 8.360 nan 0.000 0.477 333 S N -0.310 115.259 115.700 -0.217 0.000 2.489 333 S HA -0.077 4.392 4.470 -0.001 0.000 0.228 333 S C 1.901 176.416 174.600 -0.141 0.000 0.995 333 S CA 1.340 59.460 58.200 -0.134 0.000 0.934 333 S CB -0.013 63.123 63.200 -0.106 0.000 0.771 333 S HN 0.305 nan 8.310 nan 0.000 0.522 334 T N -4.704 109.711 114.554 -0.232 0.000 2.958 334 T HA 0.543 4.893 4.350 -0.001 0.000 0.256 334 T C 1.621 176.194 174.700 -0.212 0.000 0.983 334 T CA 0.665 62.651 62.100 -0.190 0.000 0.924 334 T CB 0.031 68.784 68.868 -0.191 0.000 1.136 334 T HN 1.144 nan 8.240 nan 0.000 0.506 335 G N 2.481 111.043 108.800 -0.396 0.000 2.179 335 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.260 335 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.260 335 G C 0.206 174.887 174.900 -0.364 0.000 0.977 335 G CA 0.072 45.018 45.100 -0.257 0.000 0.641 335 G HN 0.753 nan 8.290 nan 0.000 0.533 336 R N -1.066 119.066 120.500 -0.613 0.000 2.560 336 R HA 0.495 4.835 4.340 -0.001 0.000 0.270 336 R C -0.677 175.056 176.300 -0.945 0.000 1.074 336 R CA -0.324 55.166 56.100 -1.017 0.000 1.140 336 R CB 0.622 30.464 30.300 -0.763 0.000 1.073 336 R HN 0.188 nan 8.270 nan 0.000 0.527 337 W N 2.015 122.738 121.300 -0.962 0.000 2.361 337 W HA 0.435 5.095 4.660 -0.001 0.000 0.314 337 W C -0.293 176.170 176.519 -0.093 0.000 1.041 337 W CA -0.307 56.902 57.345 -0.226 0.000 1.241 337 W CB 0.739 30.245 29.460 0.077 0.000 1.279 337 W HN 0.298 nan 8.180 nan 0.000 0.436 338 I N 3.589 124.191 120.570 0.053 0.000 2.460 338 I HA 0.454 4.623 4.170 -0.001 0.000 0.298 338 I C 0.393 176.561 176.117 0.086 0.000 0.989 338 I CA -0.713 60.618 61.300 0.051 0.000 1.173 338 I CB 1.599 39.571 38.000 -0.046 0.000 1.338 338 I HN 0.352 nan 8.210 nan 0.000 0.456 339 S N 3.164 118.908 115.700 0.074 0.000 2.566 339 S HA 0.826 5.296 4.470 -0.001 0.000 0.298 339 S C -0.615 174.004 174.600 0.031 0.000 1.083 339 S CA -0.680 57.555 58.200 0.059 0.000 0.978 339 S CB 1.891 65.124 63.200 0.055 0.000 1.073 339 S HN 0.637 nan 8.310 nan 0.000 0.491 340 S N 0.456 116.173 115.700 0.028 0.000 2.541 340 S HA 0.482 4.952 4.470 -0.001 0.000 0.280 340 S C 0.591 175.191 174.600 0.001 0.000 1.112 340 S CA -0.850 57.357 58.200 0.012 0.000 0.925 340 S CB 1.082 64.291 63.200 0.015 0.000 1.067 340 S HN 0.600 nan 8.310 nan 0.000 0.479 341 V N 1.444 121.350 119.914 -0.013 0.000 2.794 341 V HA -0.203 3.917 4.120 -0.001 0.000 0.260 341 V C 2.582 178.649 176.094 -0.045 0.000 1.103 341 V CA 2.419 64.702 62.300 -0.028 0.000 1.125 341 V CB -1.506 30.301 31.823 -0.027 0.000 0.702 341 V HN 1.019 nan 8.190 nan 0.000 0.494 342 A N -0.251 122.552 122.820 -0.028 0.000 1.970 342 A HA -0.050 4.269 4.320 -0.001 0.000 0.216 342 A C 2.202 179.762 177.584 -0.039 0.000 1.170 342 A CA 0.839 52.856 52.037 -0.034 0.000 0.645 342 A CB -0.260 18.739 19.000 -0.002 0.000 0.816 342 A HN 0.472 nan 8.150 nan 0.000 0.447 343 R N -0.089 120.422 120.500 0.018 0.000 2.480 343 R HA 0.195 4.535 4.340 -0.001 0.000 0.277 343 R C -0.390 175.987 176.300 0.128 0.000 1.008 343 R CA -0.005 56.176 56.100 0.136 0.000 1.090 343 R CB 0.161 30.562 30.300 0.168 0.000 1.234 343 R HN 0.586 nan 8.270 nan 0.000 0.549 344 Q N -0.232 119.504 119.800 -0.106 0.000 2.256 344 Q HA 0.250 4.590 4.340 -0.001 0.000 0.257 344 Q C -1.072 174.710 176.000 -0.362 0.000 0.936 344 Q CA -0.556 55.209 55.803 -0.064 0.000 0.903 344 Q CB 1.730 30.445 28.738 -0.038 0.000 1.263 344 Q HN 0.233 nan 8.270 nan 0.000 0.440 345 H N 1.388 120.466 119.070 0.014 0.000 2.953 345 H HA 0.331 4.887 4.556 -0.001 0.000 0.290 345 H C -0.514 174.775 175.328 -0.065 0.000 1.113 345 H CA -0.369 55.680 56.048 0.002 0.000 1.454 345 H CB 0.320 30.087 29.762 0.008 0.000 1.525 345 H HN 0.462 nan 8.280 nan 0.000 0.505 346 I N 1.538 122.091 120.570 -0.029 0.000 2.836 346 I HA 0.079 4.249 4.170 -0.001 0.000 0.285 346 I C 0.548 176.575 176.117 -0.150 0.000 1.174 346 I CA 0.502 61.699 61.300 -0.173 0.000 1.405 346 I CB 0.674 38.549 38.000 -0.208 0.000 1.385 346 I HN 0.611 nan 8.210 nan 0.000 0.594 347 E N 6.344 126.385 120.200 -0.264 0.000 2.334 347 E HA 0.487 4.836 4.350 -0.001 0.000 0.280 347 E C -1.485 174.999 176.600 -0.194 0.000 0.899 347 E CA -0.520 55.791 56.400 -0.148 0.000 0.813 347 E CB 1.731 31.382 29.700 -0.082 0.000 1.318 347 E HN 0.619 nan 8.360 nan 0.000 0.399 348 I N 0.648 121.144 120.570 -0.123 0.000 3.108 348 I HA 0.748 4.918 4.170 -0.001 0.000 0.312 348 I C -1.307 174.799 176.117 -0.018 0.000 1.095 348 I CA -0.663 60.594 61.300 -0.071 0.000 1.000 348 I CB 2.421 40.396 38.000 -0.042 0.000 1.229 348 I HN 0.359 nan 8.210 nan 0.000 0.454 349 S N 0.854 116.557 115.700 0.005 0.000 2.532 349 S HA 0.465 4.934 4.470 -0.001 0.000 0.299 349 S C 0.378 174.986 174.600 0.013 0.000 1.105 349 S CA 0.047 58.248 58.200 0.002 0.000 1.018 349 S CB 1.416 64.611 63.200 -0.009 0.000 1.021 349 S HN 0.875 nan 8.310 nan 0.000 0.483 350 T N 0.281 114.840 114.554 0.008 0.000 3.037 350 T HA 0.024 4.374 4.350 -0.001 0.000 0.252 350 T C 1.668 176.376 174.700 0.014 0.000 1.073 350 T CA 0.990 63.097 62.100 0.012 0.000 1.091 350 T CB -0.561 68.311 68.868 0.006 0.000 0.935 350 T HN 0.660 nan 8.240 nan 0.000 0.488 351 T N -1.281 113.291 114.554 0.030 0.000 2.976 351 T HA 0.538 4.887 4.350 -0.001 0.000 0.257 351 T C 1.395 176.145 174.700 0.084 0.000 1.051 351 T CA 0.602 62.746 62.100 0.074 0.000 1.141 351 T CB -0.087 68.813 68.868 0.054 0.000 0.881 351 T HN 0.612 nan 8.240 nan 0.000 0.461 352 G N 0.394 109.185 108.800 -0.016 0.000 3.319 352 G HA2 0.486 4.445 3.960 -0.001 0.000 0.158 352 G HA3 0.486 4.445 3.960 -0.001 0.000 0.158 352 G C -1.609 173.109 174.900 -0.304 0.000 1.205 352 G CA -0.478 44.347 45.100 -0.459 0.000 1.252 352 G HN 0.554 nan 8.290 nan 0.000 0.668 353 W N 0.377 121.380 121.300 -0.495 0.000 2.578 353 W HA 0.784 5.443 4.660 -0.001 0.000 0.364 353 W C -0.379 176.051 176.519 -0.149 0.000 1.144 353 W CA -1.368 55.798 57.345 -0.298 0.000 1.242 353 W CB 0.918 30.120 29.460 -0.430 0.000 1.382 353 W HN 0.275 nan 8.180 nan 0.000 0.625 354 V N 3.147 123.102 119.914 0.068 0.000 2.607 354 V HA 0.659 4.778 4.120 -0.001 0.000 0.289 354 V C 1.020 177.173 176.094 0.099 0.000 1.053 354 V CA 0.405 62.724 62.300 0.030 0.000 0.996 354 V CB 0.041 31.893 31.823 0.049 0.000 0.995 354 V HN 1.329 nan 8.190 nan 0.000 0.476 355 G N 4.414 113.241 108.800 0.045 0.000 2.749 355 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.242 355 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.242 355 G C 0.395 175.387 174.900 0.153 0.000 1.364 355 G CA 0.714 45.869 45.100 0.092 0.000 0.888 355 G HN 0.723 nan 8.290 nan 0.000 0.566 356 R N -1.572 119.030 120.500 0.171 0.000 2.052 356 R HA 0.293 4.632 4.340 -0.001 0.000 0.224 356 R C 2.144 178.480 176.300 0.060 0.000 1.165 356 R CA 1.889 58.083 56.100 0.157 0.000 0.939 356 R CB -0.126 30.281 30.300 0.179 0.000 0.834 356 R HN 0.408 nan 8.270 nan 0.000 0.435 357 F N -0.140 119.928 119.950 0.197 0.000 2.728 357 F HA 0.314 4.840 4.527 -0.001 0.000 0.314 357 F C 0.243 176.080 175.800 0.061 0.000 1.094 357 F CA -0.326 57.745 58.000 0.118 0.000 1.217 357 F CB 0.764 39.845 39.000 0.135 0.000 1.056 357 F HN -0.047 nan 8.300 nan 0.000 0.577 358 R N -0.852 119.786 120.500 0.231 0.000 2.765 358 R HA 0.320 4.660 4.340 -0.001 0.000 0.277 358 R C -3.439 172.936 176.300 0.125 0.000 1.028 358 R CA -1.587 54.598 56.100 0.142 0.000 0.860 358 R CB 0.414 30.786 30.300 0.120 0.000 1.270 358 R HN -0.344 nan 8.270 nan 0.000 0.484 359 P HA 0.127 nan 4.420 nan 0.000 0.271 359 P C -0.255 177.070 177.300 0.043 0.000 1.218 359 P CA -0.089 63.043 63.100 0.054 0.000 0.780 359 P CB 0.783 32.493 31.700 0.018 0.000 0.901 360 A N 2.717 125.568 122.820 0.051 0.000 2.448 360 A HA 0.084 4.403 4.320 -0.001 0.000 0.239 360 A C 0.457 178.042 177.584 0.001 0.000 1.080 360 A CA -0.030 52.046 52.037 0.065 0.000 0.779 360 A CB -0.287 18.771 19.000 0.098 0.000 1.026 360 A HN 0.568 nan 8.150 nan 0.000 0.499 361 E N 1.360 121.563 120.200 0.004 0.000 2.283 361 E HA 0.368 4.717 4.350 -0.001 0.000 0.271 361 E C -2.340 174.181 176.600 -0.131 0.000 1.031 361 E CA -1.758 54.575 56.400 -0.111 0.000 0.868 361 E CB 1.018 30.628 29.700 -0.150 0.000 1.094 361 E HN 0.523 nan 8.360 nan 0.000 0.401 362 P HA 0.131 nan 4.420 nan 0.000 0.284 362 P C -1.122 175.972 177.300 -0.343 0.000 1.253 362 P CA -0.088 62.769 63.100 -0.406 0.000 0.800 362 P CB 0.879 31.942 31.700 -1.062 0.000 0.961 363 H N 2.755 121.783 119.070 -0.071 0.000 2.685 363 H HA 0.288 4.843 4.556 -0.001 0.000 0.307 363 H C -0.233 175.173 175.328 0.130 0.000 1.017 363 H CA -0.339 55.774 56.048 0.108 0.000 1.237 363 H CB 0.388 30.250 29.762 0.167 0.000 1.409 363 H HN 0.313 nan 8.280 nan 0.000 0.488 364 F N 1.724 121.823 119.950 0.248 0.000 2.389 364 F HA 0.072 4.599 4.527 -0.001 0.000 0.337 364 F C 1.559 177.517 175.800 0.263 0.000 1.112 364 F CA -0.553 57.599 58.000 0.253 0.000 1.192 364 F CB 0.910 39.999 39.000 0.147 0.000 1.185 364 F HN 0.366 nan 8.300 nan 0.000 0.552 365 T N -1.568 113.252 114.554 0.444 0.000 2.802 365 T HA 0.006 4.355 4.350 -0.001 0.000 0.305 365 T C 1.324 176.200 174.700 0.293 0.000 1.053 365 T CA -0.283 62.022 62.100 0.343 0.000 1.058 365 T CB 1.054 70.096 68.868 0.289 0.000 0.988 365 T HN 0.631 nan 8.240 nan 0.000 0.539 366 S N 0.717 116.553 115.700 0.226 0.000 2.383 366 S HA -0.166 4.304 4.470 -0.001 0.000 0.229 366 S C 1.703 176.404 174.600 0.169 0.000 1.030 366 S CA 1.705 60.015 58.200 0.184 0.000 1.002 366 S CB -0.785 62.503 63.200 0.148 0.000 0.829 366 S HN 0.902 nan 8.310 nan 0.000 0.467 367 D N -0.926 119.576 120.400 0.169 0.000 2.323 367 D HA 0.114 4.754 4.640 -0.001 0.000 0.209 367 D C 1.434 177.835 176.300 0.169 0.000 0.973 367 D CA 0.946 55.035 54.000 0.148 0.000 0.874 367 D CB -0.661 40.217 40.800 0.129 0.000 0.930 367 D HN 0.544 nan 8.370 nan 0.000 0.521 368 G N 1.331 110.268 108.800 0.229 0.000 2.148 368 G HA2 -0.343 3.617 3.960 -0.001 0.000 0.254 368 G HA3 -0.343 3.617 3.960 -0.001 0.000 0.254 368 G C 0.655 175.745 174.900 0.317 0.000 0.981 368 G CA 0.452 45.724 45.100 0.288 0.000 0.670 368 G HN 0.407 nan 8.290 nan 0.000 0.528 369 N N 0.103 118.947 118.700 0.240 0.000 2.412 369 N HA 0.318 5.057 4.740 -0.001 0.000 0.184 369 N C 0.739 176.344 175.510 0.159 0.000 1.101 369 N CA 0.917 54.083 53.050 0.194 0.000 0.881 369 N CB 0.395 38.961 38.487 0.132 0.000 0.969 369 N HN 0.740 nan 8.380 nan 0.000 0.459 370 S N -0.437 115.357 115.700 0.157 0.000 2.556 370 S HA 0.694 5.163 4.470 -0.001 0.000 0.271 370 S C -1.116 173.419 174.600 -0.108 0.000 1.135 370 S CA -1.141 56.992 58.200 -0.111 0.000 0.858 370 S CB 1.228 64.287 63.200 -0.235 0.000 1.114 370 S HN 0.158 nan 8.310 nan 0.000 0.468 371 F N -1.357 118.273 119.950 -0.533 0.000 2.626 371 F HA 0.836 5.363 4.527 -0.001 0.000 0.311 371 F C -2.000 173.456 175.800 -0.573 0.000 1.088 371 F CA -1.565 56.069 58.000 -0.610 0.000 0.949 371 F CB 0.721 38.918 39.000 -1.339 0.000 1.322 371 F HN 0.574 nan 8.300 nan 0.000 0.461 372 Y N 1.415 121.769 120.300 0.090 0.000 2.341 372 Y HA 0.606 5.155 4.550 -0.001 0.000 0.337 372 Y C -0.180 175.860 175.900 0.232 0.000 1.014 372 Y CA -0.763 57.406 58.100 0.114 0.000 1.111 372 Y CB 1.919 40.429 38.460 0.083 0.000 1.194 372 Y HN 0.695 nan 8.280 nan 0.000 0.462 373 K N 4.119 124.740 120.400 0.369 0.000 2.535 373 K HA 0.477 4.797 4.320 -0.001 0.000 0.250 373 K C -1.319 175.430 176.600 0.249 0.000 0.948 373 K CA -0.541 55.911 56.287 0.276 0.000 0.796 373 K CB 1.287 33.857 32.500 0.116 0.000 1.216 373 K HN 0.728 nan 8.250 nan 0.000 0.432 374 I N 6.742 127.424 120.570 0.186 0.000 2.668 374 I HA 0.056 4.226 4.170 -0.001 0.000 0.285 374 I C 0.508 176.724 176.117 0.166 0.000 1.168 374 I CA 0.367 61.764 61.300 0.163 0.000 1.424 374 I CB -0.101 37.975 38.000 0.126 0.000 1.377 374 I HN 0.553 nan 8.210 nan 0.000 0.560 375 I N 1.628 122.331 120.570 0.222 0.000 3.352 375 I HA 0.518 4.688 4.170 -0.001 0.000 0.316 375 I C -0.567 175.696 176.117 0.243 0.000 1.214 375 I CA -0.869 60.560 61.300 0.214 0.000 0.934 375 I CB 2.113 40.260 38.000 0.245 0.000 1.310 375 I HN 0.233 nan 8.210 nan 0.000 0.475 376 S N 1.869 117.670 115.700 0.169 0.000 2.586 376 S HA 0.382 4.852 4.470 -0.001 0.000 0.274 376 S C -0.116 174.560 174.600 0.126 0.000 1.281 376 S CA -0.627 57.614 58.200 0.068 0.000 1.035 376 S CB 0.522 63.692 63.200 -0.051 0.000 0.962 376 S HN 0.548 nan 8.310 nan 0.000 0.512 377 N N 1.575 120.217 118.700 -0.096 0.000 2.381 377 N HA 0.112 4.852 4.740 -0.001 0.000 0.254 377 N C 0.599 176.061 175.510 -0.081 0.000 1.264 377 N CA -0.184 52.708 53.050 -0.263 0.000 0.942 377 N CB 0.362 38.688 38.487 -0.268 0.000 1.190 377 N HN 0.519 nan 8.380 nan 0.000 0.495 378 E N 0.242 120.397 120.200 -0.075 0.000 2.502 378 E HA -0.057 4.293 4.350 -0.001 0.000 0.194 378 E C 1.006 177.578 176.600 -0.046 0.000 1.062 378 E CA 0.401 56.783 56.400 -0.029 0.000 0.867 378 E CB 0.097 29.789 29.700 -0.013 0.000 0.888 378 E HN 0.619 nan 8.360 nan 0.000 0.510 379 E N -0.752 119.412 120.200 -0.060 0.000 2.307 379 E HA 0.028 4.378 4.350 -0.001 0.000 0.195 379 E C 0.986 177.621 176.600 0.057 0.000 0.975 379 E CA 0.774 57.171 56.400 -0.005 0.000 0.878 379 E CB 0.253 29.928 29.700 -0.040 0.000 0.845 379 E HN 0.217 nan 8.360 nan 0.000 0.488 380 G N -0.182 108.614 108.800 -0.007 0.000 2.229 380 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.189 380 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.189 380 G C -0.491 174.241 174.900 -0.281 0.000 1.000 380 G CA 0.033 45.038 45.100 -0.158 0.000 0.663 380 G HN 0.145 nan 8.290 nan 0.000 0.493 381 Y N 1.471 121.635 120.300 -0.227 0.000 2.334 381 Y HA 0.585 5.135 4.550 -0.001 0.000 0.328 381 Y C 0.930 176.602 175.900 -0.380 0.000 1.130 381 Y CA -0.737 57.184 58.100 -0.299 0.000 1.163 381 Y CB 1.021 39.300 38.460 -0.302 0.000 1.207 381 Y HN -0.056 nan 8.280 nan 0.000 0.471 382 K N 4.512 124.717 120.400 -0.325 0.000 2.316 382 K HA 0.258 4.577 4.320 -0.001 0.000 0.289 382 K C -0.753 175.563 176.600 -0.473 0.000 1.070 382 K CA -0.254 55.880 56.287 -0.255 0.000 0.928 382 K CB 0.288 32.713 32.500 -0.125 0.000 1.039 382 K HN 0.657 nan 8.250 nan 0.000 0.480 383 H N 1.396 120.446 119.070 -0.032 0.000 2.907 383 H HA 0.338 4.893 4.556 -0.001 0.000 0.361 383 H C 0.023 175.446 175.328 0.158 0.000 1.194 383 H CA -0.981 55.033 56.048 -0.056 0.000 1.152 383 H CB 1.439 31.041 29.762 -0.267 0.000 1.867 383 H HN 0.349 nan 8.280 nan 0.000 0.561 384 I N 1.486 122.160 120.570 0.173 0.000 2.505 384 I HA -0.033 4.136 4.170 -0.001 0.000 0.287 384 I C 0.485 176.666 176.117 0.106 0.000 1.104 384 I CA 0.351 61.711 61.300 0.101 0.000 1.387 384 I CB 0.067 38.018 38.000 -0.082 0.000 1.404 384 I HN 0.153 nan 8.210 nan 0.000 0.528 385 c N 7.127 125.727 118.600 -0.001 0.000 2.391 385 c HA 0.343 4.912 4.570 -0.001 0.000 0.339 385 c C 0.101 174.029 174.090 -0.270 0.000 1.205 385 c CA -0.413 55.666 56.329 -0.416 0.000 1.937 385 c CB 0.883 42.900 42.510 -0.821 0.000 2.341 385 c HN 0.707 nan 8.230 nan 0.000 0.516 386 H N 3.841 122.569 119.070 -0.571 0.000 2.519 386 H HA 0.480 5.036 4.556 -0.001 0.000 0.316 386 H C -1.520 173.298 175.328 -0.851 0.000 1.065 386 H CA -0.094 55.587 56.048 -0.612 0.000 1.264 386 H CB 0.568 30.096 29.762 -0.390 0.000 1.413 386 H HN 0.570 nan 8.280 nan 0.000 0.465 387 F N 2.623 121.727 119.950 -1.410 0.000 2.480 387 F HA 0.175 4.702 4.527 -0.001 0.000 0.329 387 F C 0.317 175.344 175.800 -1.288 0.000 1.091 387 F CA -0.918 56.268 58.000 -1.356 0.000 0.972 387 F CB 1.771 39.581 39.000 -1.985 0.000 1.150 387 F HN 0.463 nan 8.300 nan 0.000 0.467 388 Q N 1.100 120.591 119.800 -0.515 0.000 2.322 388 Q HA 0.250 4.590 4.340 -0.001 0.000 0.256 388 Q C 0.989 176.968 176.000 -0.035 0.000 0.960 388 Q CA 0.158 55.803 55.803 -0.263 0.000 0.934 388 Q CB 1.421 30.096 28.738 -0.105 0.000 1.200 388 Q HN 0.769 nan 8.270 nan 0.000 0.435 389 T N 2.271 116.854 114.554 0.048 0.000 2.795 389 T HA -0.227 4.123 4.350 -0.001 0.000 0.266 389 T C 0.191 175.115 174.700 0.375 0.000 1.056 389 T CA 2.004 64.287 62.100 0.305 0.000 1.141 389 T CB -0.092 68.986 68.868 0.350 0.000 0.840 389 T HN 0.756 nan 8.240 nan 0.000 0.493 390 D N -1.125 119.419 120.400 0.239 0.000 2.563 390 D HA 0.160 4.800 4.640 -0.001 0.000 0.237 390 D C 0.240 176.598 176.300 0.097 0.000 1.282 390 D CA -0.351 53.752 54.000 0.171 0.000 0.816 390 D CB 0.371 41.237 40.800 0.110 0.000 1.066 390 D HN 0.087 nan 8.370 nan 0.000 0.501 391 K N -0.132 120.339 120.400 0.119 0.000 2.295 391 K HA 0.426 4.746 4.320 -0.001 0.000 0.239 391 K C 0.696 177.322 176.600 0.045 0.000 0.991 391 K CA -0.477 55.835 56.287 0.041 0.000 0.845 391 K CB 1.852 34.359 32.500 0.012 0.000 1.197 391 K HN -0.005 nan 8.250 nan 0.000 0.441 392 S N -0.674 115.020 115.700 -0.010 0.000 2.470 392 S HA -0.064 4.406 4.470 -0.001 0.000 0.222 392 S C 0.465 175.078 174.600 0.022 0.000 1.024 392 S CA -0.053 58.142 58.200 -0.007 0.000 0.931 392 S CB -0.468 62.704 63.200 -0.046 0.000 0.791 392 S HN 0.715 nan 8.310 nan 0.000 0.513 393 N N 0.930 119.600 118.700 -0.049 0.000 2.530 393 N HA 0.496 5.236 4.740 -0.001 0.000 0.277 393 N C -0.159 175.171 175.510 -0.300 0.000 1.168 393 N CA -0.558 52.411 53.050 -0.134 0.000 0.979 393 N CB 1.150 39.572 38.487 -0.108 0.000 1.141 393 N HN 0.493 nan 8.380 nan 0.000 0.459 394 c N -0.760 117.545 118.600 -0.492 0.000 2.779 394 c HA 0.693 5.263 4.570 -0.001 0.000 0.314 394 c C -0.359 173.392 174.090 -0.566 0.000 1.231 394 c CA -0.717 55.119 56.329 -0.822 0.000 1.652 394 c CB 1.108 42.522 42.510 -1.826 0.000 2.198 394 c HN 0.726 nan 8.230 nan 0.000 0.483 395 T N 2.567 116.845 114.554 -0.459 0.000 2.788 395 T HA 0.435 4.785 4.350 -0.001 0.000 0.296 395 T C -0.606 173.954 174.700 -0.233 0.000 1.009 395 T CA 0.144 62.107 62.100 -0.227 0.000 0.949 395 T CB 0.057 68.915 68.868 -0.017 0.000 0.946 395 T HN 0.488 nan 8.240 nan 0.000 0.453 396 F N 3.793 123.663 119.950 -0.133 0.000 2.571 396 F HA 0.173 4.700 4.527 -0.001 0.000 0.384 396 F C 1.546 177.257 175.800 -0.149 0.000 1.058 396 F CA -0.884 57.027 58.000 -0.147 0.000 1.200 396 F CB 0.259 39.167 39.000 -0.153 0.000 1.077 396 F HN 0.583 nan 8.300 nan 0.000 0.558 397 I N 0.702 121.248 120.570 -0.041 0.000 3.941 397 I HA 0.294 4.463 4.170 -0.001 0.000 0.335 397 I C -0.225 175.777 176.117 -0.190 0.000 1.402 397 I CA 0.083 61.209 61.300 -0.290 0.000 1.112 397 I CB -0.135 37.293 38.000 -0.953 0.000 1.043 397 I HN 0.478 nan 8.210 nan 0.000 0.395 398 T N -0.468 113.992 114.554 -0.156 0.000 3.097 398 T HA 0.565 4.914 4.350 -0.001 0.000 0.332 398 T C -0.870 173.376 174.700 -0.757 0.000 1.269 398 T CA -0.805 61.142 62.100 -0.255 0.000 1.076 398 T CB 2.549 71.316 68.868 -0.169 0.000 1.209 398 T HN 0.324 nan 8.240 nan 0.000 0.474 399 K N 0.887 120.751 120.400 -0.894 0.000 2.466 399 K HA 0.958 5.277 4.320 -0.001 0.000 0.277 399 K C 0.061 176.005 176.600 -1.094 0.000 1.039 399 K CA -0.576 54.891 56.287 -1.368 0.000 0.904 399 K CB 1.314 33.401 32.500 -0.688 0.000 1.506 399 K HN 1.938 nan 8.250 nan 0.000 0.441 400 G N -1.323 106.975 108.800 -0.837 0.000 2.355 400 G HA2 0.344 4.304 3.960 -0.001 0.000 0.619 400 G HA3 0.344 4.304 3.960 -0.001 0.000 0.619 400 G C -1.299 173.166 174.900 -0.724 0.000 1.337 400 G CA -0.304 44.461 45.100 -0.559 0.000 0.993 400 G HN 0.895 nan 8.290 nan 0.000 0.599 401 A N 0.884 123.432 122.820 -0.453 0.000 3.168 401 A HA 0.659 4.979 4.320 -0.001 0.000 0.260 401 A C 0.320 177.944 177.584 0.067 0.000 1.598 401 A CA 0.636 52.237 52.037 -0.726 0.000 1.285 401 A CB -1.064 17.727 19.000 -0.349 0.000 1.149 401 A HN 1.716 nan 8.150 nan 0.000 0.630 402 W N -0.876 120.492 121.300 0.113 0.000 2.871 402 W HA 0.688 5.347 4.660 -0.001 0.000 0.416 402 W C -1.069 175.544 176.519 0.156 0.000 1.108 402 W CA -0.737 56.740 57.345 0.220 0.000 1.179 402 W CB 0.328 29.858 29.460 0.117 0.000 1.479 402 W HN 0.238 nan 8.180 nan 0.000 0.598 403 E N 0.565 120.997 120.200 0.387 0.000 2.383 403 E HA 0.461 4.811 4.350 -0.001 0.000 0.275 403 E C -1.363 175.407 176.600 0.282 0.000 0.918 403 E CA -1.064 55.340 56.400 0.007 0.000 0.764 403 E CB 3.236 32.958 29.700 0.037 0.000 1.252 403 E HN 0.141 nan 8.360 nan 0.000 0.449 404 V N 2.895 122.859 119.914 0.084 0.000 2.546 404 V HA 0.085 4.205 4.120 -0.001 0.000 0.284 404 V C 1.044 177.258 176.094 0.201 0.000 1.050 404 V CA -0.262 62.177 62.300 0.231 0.000 0.981 404 V CB 0.941 32.795 31.823 0.052 0.000 0.990 404 V HN 0.692 nan 8.190 nan 0.000 0.474 405 I N 2.463 123.173 120.570 0.233 0.000 2.585 405 I HA 0.302 4.471 4.170 -0.001 0.000 0.254 405 I C 1.067 177.301 176.117 0.196 0.000 1.129 405 I CA 1.092 62.509 61.300 0.196 0.000 1.455 405 I CB -0.525 37.532 38.000 0.095 0.000 1.111 405 I HN 0.781 nan 8.210 nan 0.000 0.433 406 G N 0.740 109.661 108.800 0.202 0.000 2.616 406 G HA2 0.495 4.455 3.960 -0.001 0.000 0.294 406 G HA3 0.495 4.455 3.960 -0.001 0.000 0.294 406 G C -1.299 173.694 174.900 0.156 0.000 1.489 406 G CA -0.594 44.613 45.100 0.178 0.000 0.836 406 G HN -0.049 nan 8.290 nan 0.000 0.527 407 I N 1.841 122.425 120.570 0.024 0.000 2.312 407 I HA 0.211 4.380 4.170 -0.001 0.000 0.291 407 I C 1.117 177.135 176.117 -0.165 0.000 1.031 407 I CA -0.559 60.655 61.300 -0.144 0.000 1.293 407 I CB 1.663 39.338 38.000 -0.542 0.000 1.403 407 I HN 0.506 nan 8.210 nan 0.000 0.484 408 E N 4.759 124.940 120.200 -0.031 0.000 2.021 408 E HA 0.147 4.497 4.350 -0.001 0.000 0.189 408 E C 0.429 176.926 176.600 -0.172 0.000 0.980 408 E CA 0.714 57.107 56.400 -0.012 0.000 0.803 408 E CB 0.319 30.085 29.700 0.111 0.000 0.766 408 E HN 0.734 nan 8.360 nan 0.000 0.449 409 A N -0.135 122.464 122.820 -0.368 0.000 2.532 409 A HA 0.694 5.013 4.320 -0.001 0.000 0.290 409 A C -1.648 175.867 177.584 -0.115 0.000 1.143 409 A CA -0.553 51.255 52.037 -0.383 0.000 0.728 409 A CB 1.598 19.975 19.000 -1.040 0.000 1.317 409 A HN 0.091 nan 8.150 nan 0.000 0.414 410 L N 0.378 121.594 121.223 -0.012 0.000 2.588 410 L HA 0.683 5.022 4.340 -0.001 0.000 0.263 410 L C -0.189 176.748 176.870 0.112 0.000 0.935 410 L CA 0.364 55.242 54.840 0.063 0.000 0.891 410 L CB 2.009 44.120 42.059 0.085 0.000 1.318 410 L HN 1.126 nan 8.230 nan 0.000 0.409 411 T N -0.240 114.394 114.554 0.133 0.000 2.807 411 T HA 0.458 4.807 4.350 -0.001 0.000 0.277 411 T C 1.009 175.761 174.700 0.087 0.000 1.006 411 T CA -0.025 62.154 62.100 0.132 0.000 1.006 411 T CB 1.152 70.132 68.868 0.186 0.000 1.274 411 T HN 0.618 nan 8.240 nan 0.000 0.569 412 S N 0.127 115.867 115.700 0.066 0.000 2.402 412 S HA -0.118 4.352 4.470 -0.001 0.000 0.229 412 S C 1.054 175.624 174.600 -0.050 0.000 1.021 412 S CA 1.092 59.315 58.200 0.037 0.000 0.974 412 S CB -0.572 62.648 63.200 0.034 0.000 0.800 412 S HN 0.723 nan 8.310 nan 0.000 0.484 413 D N 0.343 120.650 120.400 -0.154 0.000 2.202 413 D HA 0.168 4.808 4.640 -0.001 0.000 0.214 413 D C 0.017 175.991 176.300 -0.542 0.000 0.967 413 D CA 0.920 54.647 54.000 -0.456 0.000 0.871 413 D CB -0.001 40.310 40.800 -0.816 0.000 1.020 413 D HN 0.481 nan 8.370 nan 0.000 0.474 414 Y N -0.407 119.842 120.300 -0.085 0.000 2.602 414 Y HA 0.553 5.102 4.550 -0.001 0.000 0.342 414 Y C -0.312 175.424 175.900 -0.272 0.000 1.029 414 Y CA -1.209 56.749 58.100 -0.237 0.000 1.080 414 Y CB 2.044 40.214 38.460 -0.484 0.000 1.284 414 Y HN -0.254 nan 8.280 nan 0.000 0.485 415 L N 2.038 123.157 121.223 -0.174 0.000 2.349 415 L HA 0.581 4.921 4.340 -0.001 0.000 0.278 415 L C -2.001 174.773 176.870 -0.160 0.000 0.996 415 L CA -0.683 54.045 54.840 -0.186 0.000 0.825 415 L CB 0.775 42.618 42.059 -0.359 0.000 1.243 415 L HN 0.629 nan 8.230 nan 0.000 0.412 416 Y N 5.280 125.493 120.300 -0.146 0.000 2.328 416 Y HA 0.475 5.025 4.550 -0.001 0.000 0.337 416 Y C -0.142 175.734 175.900 -0.041 0.000 1.008 416 Y CA -0.470 57.537 58.100 -0.154 0.000 1.129 416 Y CB 0.839 39.079 38.460 -0.367 0.000 1.185 416 Y HN 0.559 nan 8.280 nan 0.000 0.476 417 Y N 0.243 120.594 120.300 0.085 0.000 2.790 417 Y HA 0.906 5.455 4.550 -0.001 0.000 0.323 417 Y C -1.445 174.544 175.900 0.148 0.000 1.230 417 Y CA -2.068 56.079 58.100 0.079 0.000 1.121 417 Y CB 1.456 39.945 38.460 0.048 0.000 1.328 417 Y HN 0.340 nan 8.280 nan 0.000 0.514 418 I N 2.136 122.882 120.570 0.294 0.000 2.533 418 I HA 0.565 4.735 4.170 -0.001 0.000 0.290 418 I C -0.929 175.378 176.117 0.317 0.000 1.056 418 I CA -0.520 60.897 61.300 0.194 0.000 1.057 418 I CB 2.233 40.311 38.000 0.130 0.000 1.240 418 I HN 0.899 nan 8.210 nan 0.000 0.423 419 S N 2.995 118.847 115.700 0.254 0.000 2.671 419 S HA 0.455 4.925 4.470 -0.001 0.000 0.277 419 S C -0.705 173.964 174.600 0.115 0.000 1.165 419 S CA -0.850 57.492 58.200 0.235 0.000 0.822 419 S CB 1.805 65.194 63.200 0.316 0.000 1.150 419 S HN 0.651 nan 8.310 nan 0.000 0.479 420 N N -0.556 118.211 118.700 0.112 0.000 2.458 420 N HA 0.140 4.879 4.740 -0.001 0.000 0.274 420 N C 0.431 175.942 175.510 0.002 0.000 1.242 420 N CA -0.261 52.817 53.050 0.048 0.000 0.904 420 N CB 0.332 38.839 38.487 0.033 0.000 1.206 420 N HN 0.856 nan 8.380 nan 0.000 0.510 421 E N 0.099 120.148 120.200 -0.252 0.000 2.107 421 E HA -0.212 4.138 4.350 -0.001 0.000 0.191 421 E C -0.141 176.312 176.600 -0.245 0.000 0.982 421 E CA 0.195 56.208 56.400 -0.645 0.000 0.809 421 E CB -0.183 28.387 29.700 -1.884 0.000 0.756 421 E HN 0.496 nan 8.360 nan 0.000 0.459 422 H N 1.169 120.167 119.070 -0.121 0.000 3.145 422 H HA -0.000 4.555 4.556 -0.001 0.000 0.288 422 H C -0.060 175.261 175.328 -0.012 0.000 0.969 422 H CA 1.066 57.096 56.048 -0.029 0.000 1.444 422 H CB 0.171 29.939 29.762 0.010 0.000 1.500 422 H HN 0.115 nan 8.280 nan 0.000 0.552 423 K N 3.179 123.332 120.400 -0.412 0.000 3.407 423 K HA -0.176 4.144 4.320 -0.001 0.000 0.312 423 K C 1.047 177.635 176.600 -0.021 0.000 1.302 423 K CA 1.153 57.282 56.287 -0.264 0.000 0.931 423 K CB -1.531 30.778 32.500 -0.318 0.000 1.257 423 K HN 1.097 nan 8.250 nan 0.000 0.454 424 G N 0.023 108.826 108.800 0.005 0.000 2.233 424 G HA2 -0.357 3.603 3.960 -0.001 0.000 0.270 424 G HA3 -0.357 3.603 3.960 -0.001 0.000 0.270 424 G C 0.069 175.079 174.900 0.183 0.000 1.011 424 G CA 0.832 46.010 45.100 0.129 0.000 0.762 424 G HN 0.305 nan 8.290 nan 0.000 0.511 425 M N 1.102 120.704 119.600 0.003 0.000 2.151 425 M HA 0.179 4.659 4.480 -0.001 0.000 0.349 425 M C -0.850 175.257 176.300 -0.321 0.000 1.284 425 M CA -1.758 53.347 55.300 -0.325 0.000 1.173 425 M CB 1.173 33.594 32.600 -0.298 0.000 1.469 425 M HN -0.064 nan 8.290 nan 0.000 0.439 426 P HA -0.122 nan 4.420 nan 0.000 0.223 426 P C 0.980 178.176 177.300 -0.172 0.000 1.144 426 P CA 1.224 64.231 63.100 -0.154 0.000 0.783 426 P CB 0.074 31.724 31.700 -0.083 0.000 0.771 427 G N -0.660 107.945 108.800 -0.325 0.000 3.284 427 G HA2 0.315 4.274 3.960 -0.001 0.000 0.236 427 G HA3 0.315 4.274 3.960 -0.001 0.000 0.236 427 G C 0.608 175.509 174.900 0.003 0.000 1.158 427 G CA 0.017 45.037 45.100 -0.133 0.000 0.774 427 G HN 0.415 nan 8.290 nan 0.000 0.545 428 G N -0.055 108.706 108.800 -0.064 0.000 2.417 428 G HA2 0.608 4.567 3.960 -0.001 0.000 0.334 428 G HA3 0.608 4.567 3.960 -0.001 0.000 0.334 428 G C -0.761 174.054 174.900 -0.141 0.000 1.150 428 G CA -0.756 44.344 45.100 -0.001 0.000 0.923 428 G HN 0.052 nan 8.290 nan 0.000 0.485 429 R N 1.632 121.984 120.500 -0.247 0.000 2.439 429 R HA 0.423 4.763 4.340 -0.001 0.000 0.310 429 R C -1.060 175.219 176.300 -0.035 0.000 0.955 429 R CA -0.741 55.169 56.100 -0.316 0.000 0.853 429 R CB 1.761 31.550 30.300 -0.851 0.000 1.171 429 R HN 0.553 nan 8.270 nan 0.000 0.449 430 N N 1.989 120.689 118.700 -0.000 0.000 2.235 430 N HA 0.261 5.001 4.740 -0.001 0.000 0.293 430 N C -1.204 174.218 175.510 -0.146 0.000 1.083 430 N CA -0.803 52.172 53.050 -0.124 0.000 0.801 430 N CB 2.686 41.021 38.487 -0.253 0.000 1.559 430 N HN 0.230 nan 8.380 nan 0.000 0.472 431 L N 2.821 123.810 121.223 -0.390 0.000 2.290 431 L HA 0.433 4.773 4.340 -0.001 0.000 0.284 431 L C -1.322 175.214 176.870 -0.557 0.000 1.078 431 L CA 0.162 54.799 54.840 -0.339 0.000 0.815 431 L CB -0.420 41.432 42.059 -0.346 0.000 1.162 431 L HN 0.405 nan 8.230 nan 0.000 0.435 432 Y N 4.392 124.339 120.300 -0.588 0.000 2.630 432 Y HA 0.721 5.271 4.550 -0.001 0.000 0.337 432 Y C -0.075 175.502 175.900 -0.539 0.000 1.051 432 Y CA -0.877 56.841 58.100 -0.636 0.000 1.121 432 Y CB 1.474 39.371 38.460 -0.937 0.000 1.299 432 Y HN 0.541 nan 8.280 nan 0.000 0.498 433 R N 1.894 122.262 120.500 -0.220 0.000 2.604 433 R HA 0.680 5.019 4.340 -0.001 0.000 0.281 433 R C -2.148 174.080 176.300 -0.120 0.000 1.020 433 R CA -0.624 55.291 56.100 -0.308 0.000 0.899 433 R CB 1.977 31.960 30.300 -0.528 0.000 1.205 433 R HN 0.864 nan 8.270 nan 0.000 0.450 434 I N 2.460 123.002 120.570 -0.046 0.000 2.608 434 I HA 0.311 4.480 4.170 -0.001 0.000 0.295 434 I C -0.881 175.322 176.117 0.143 0.000 1.049 434 I CA -0.792 60.565 61.300 0.095 0.000 1.063 434 I CB 2.354 40.447 38.000 0.155 0.000 1.248 434 I HN 0.680 nan 8.210 nan 0.000 0.424 435 Q N 4.839 124.771 119.800 0.220 0.000 2.288 435 Q HA 0.169 4.509 4.340 -0.001 0.000 0.258 435 Q C 0.496 176.608 176.000 0.186 0.000 0.957 435 Q CA -0.491 55.431 55.803 0.199 0.000 0.919 435 Q CB 1.715 30.541 28.738 0.145 0.000 1.185 435 Q HN 0.642 nan 8.270 nan 0.000 0.408 436 L N 3.182 124.453 121.223 0.080 0.000 2.131 436 L HA -0.245 4.094 4.340 -0.001 0.000 0.210 436 L C 1.764 178.643 176.870 0.016 0.000 1.092 436 L CA 1.816 56.773 54.840 0.194 0.000 0.759 436 L CB -0.567 41.533 42.059 0.069 0.000 0.903 436 L HN 0.706 nan 8.230 nan 0.000 0.435 437 N N -1.874 116.756 118.700 -0.116 0.000 2.446 437 N HA -0.055 4.684 4.740 -0.001 0.000 0.179 437 N C -0.054 175.268 175.510 -0.313 0.000 1.054 437 N CA 0.498 53.418 53.050 -0.216 0.000 0.905 437 N CB -0.026 38.376 38.487 -0.142 0.000 0.973 437 N HN 0.300 nan 8.380 nan 0.000 0.448 438 D N -0.887 119.370 120.400 -0.240 0.000 2.386 438 D HA 0.151 4.791 4.640 -0.001 0.000 0.247 438 D C -0.911 175.374 176.300 -0.025 0.000 1.336 438 D CA -0.659 53.221 54.000 -0.199 0.000 0.976 438 D CB 0.230 40.981 40.800 -0.082 0.000 1.257 438 D HN -0.016 nan 8.370 nan 0.000 0.570 439 Y N 1.768 122.061 120.300 -0.012 0.000 2.519 439 Y HA 0.122 4.672 4.550 -0.001 0.000 0.311 439 Y C 1.975 177.886 175.900 0.020 0.000 1.207 439 Y CA 0.169 58.273 58.100 0.006 0.000 1.289 439 Y CB -0.538 37.920 38.460 -0.003 0.000 1.059 439 Y HN 0.359 nan 8.280 nan 0.000 0.507 440 T N -1.078 113.550 114.554 0.124 0.000 3.044 440 T HA 0.020 4.369 4.350 -0.001 0.000 0.255 440 T C 0.863 175.612 174.700 0.083 0.000 1.073 440 T CA 0.391 62.541 62.100 0.083 0.000 1.125 440 T CB 0.112 69.001 68.868 0.035 0.000 0.908 440 T HN 0.002 nan 8.240 nan 0.000 0.480 441 K N 3.034 123.486 120.400 0.087 0.000 2.206 441 K HA 0.443 4.762 4.320 -0.001 0.000 0.268 441 K C -1.056 175.604 176.600 0.099 0.000 1.111 441 K CA -0.060 56.275 56.287 0.079 0.000 0.955 441 K CB 1.079 33.622 32.500 0.072 0.000 1.406 441 K HN 0.078 nan 8.250 nan 0.000 0.427 442 V N 2.274 122.246 119.914 0.096 0.000 2.495 442 V HA 0.335 4.454 4.120 -0.001 0.000 0.298 442 V C 0.044 176.179 176.094 0.068 0.000 1.031 442 V CA -0.724 61.644 62.300 0.114 0.000 0.871 442 V CB 1.912 33.839 31.823 0.173 0.000 0.988 442 V HN 0.549 nan 8.190 nan 0.000 0.432 443 T N 3.080 117.638 114.554 0.006 0.000 2.809 443 T HA 0.184 4.534 4.350 -0.001 0.000 0.284 443 T C -0.326 174.260 174.700 -0.189 0.000 0.992 443 T CA -0.255 61.798 62.100 -0.078 0.000 0.957 443 T CB 1.155 69.945 68.868 -0.130 0.000 0.942 443 T HN 0.780 nan 8.240 nan 0.000 0.439 444 C N 6.642 125.763 119.300 -0.298 0.000 2.210 444 C HA 0.316 4.775 4.460 -0.001 0.000 0.377 444 C C 1.912 176.580 174.990 -0.536 0.000 1.037 444 C CA -0.689 57.907 59.018 -0.703 0.000 1.405 444 C CB -2.509 24.703 27.740 -0.881 0.000 1.802 444 C HN 0.970 nan 8.230 nan 0.000 0.495 445 L N 4.005 124.947 121.223 -0.469 0.000 2.447 445 L HA -0.050 4.289 4.340 -0.001 0.000 0.225 445 L C 2.207 178.821 176.870 -0.427 0.000 1.148 445 L CA 1.551 56.183 54.840 -0.347 0.000 0.808 445 L CB -0.546 41.343 42.059 -0.282 0.000 0.928 445 L HN 0.861 nan 8.230 nan 0.000 0.448 446 S N -3.526 111.801 115.700 -0.622 0.000 2.589 446 S HA 0.008 4.478 4.470 -0.001 0.000 0.235 446 S C 1.812 176.007 174.600 -0.674 0.000 1.051 446 S CA -0.017 57.711 58.200 -0.787 0.000 0.978 446 S CB -0.293 62.111 63.200 -1.326 0.000 0.929 446 S HN 0.338 nan 8.310 nan 0.000 0.523 447 C N 2.027 120.936 119.300 -0.652 0.000 2.396 447 C HA -0.012 4.448 4.460 -0.001 0.000 0.277 447 C C 2.046 176.827 174.990 -0.349 0.000 1.231 447 C CA 1.406 60.039 59.018 -0.642 0.000 1.775 447 C CB -1.103 26.102 27.740 -0.891 0.000 2.036 447 C HN 0.623 nan 8.230 nan 0.000 0.484 448 E N -0.374 119.677 120.200 -0.247 0.000 2.558 448 E HA 0.249 4.599 4.350 -0.001 0.000 0.205 448 E C 1.544 178.108 176.600 -0.060 0.000 1.006 448 E CA -0.129 56.204 56.400 -0.112 0.000 0.961 448 E CB -0.138 29.509 29.700 -0.088 0.000 1.044 448 E HN 0.533 nan 8.360 nan 0.000 0.465 449 L N 0.026 121.215 121.223 -0.057 0.000 2.056 449 L HA -0.075 4.264 4.340 -0.001 0.000 0.207 449 L C -0.058 176.831 176.870 0.033 0.000 1.078 449 L CA 1.116 55.959 54.840 0.006 0.000 0.749 449 L CB -0.042 42.041 42.059 0.039 0.000 0.901 449 L HN 0.115 nan 8.230 nan 0.000 0.433 450 N N -2.244 116.489 118.700 0.056 0.000 2.679 450 N HA 0.070 4.809 4.740 -0.001 0.000 0.240 450 N C -2.158 173.383 175.510 0.051 0.000 1.537 450 N CA -0.586 52.485 53.050 0.036 0.000 0.793 450 N CB 0.487 38.984 38.487 0.016 0.000 1.391 450 N HN -0.119 nan 8.380 nan 0.000 0.524 451 P HA -0.211 nan 4.420 nan 0.000 0.221 451 P C 0.353 177.697 177.300 0.073 0.000 1.141 451 P CA 1.442 64.587 63.100 0.076 0.000 0.794 451 P CB 0.582 32.325 31.700 0.071 0.000 0.764 452 E N -0.859 119.366 120.200 0.043 0.000 2.276 452 E HA -0.002 4.348 4.350 -0.001 0.000 0.193 452 E C 2.171 178.780 176.600 0.015 0.000 0.983 452 E CA 0.335 56.754 56.400 0.032 0.000 0.861 452 E CB -0.010 29.701 29.700 0.019 0.000 0.817 452 E HN 0.359 nan 8.360 nan 0.000 0.485 453 R N -0.258 120.240 120.500 -0.004 0.000 2.167 453 R HA 0.128 4.468 4.340 -0.001 0.000 0.201 453 R C 0.056 176.316 176.300 -0.066 0.000 1.024 453 R CA 0.443 56.519 56.100 -0.041 0.000 1.053 453 R CB 0.511 30.771 30.300 -0.068 0.000 0.987 453 R HN -0.032 nan 8.270 nan 0.000 0.493 454 c N 1.681 120.246 118.600 -0.057 0.000 2.271 454 c HA 0.448 5.018 4.570 -0.001 0.000 0.323 454 c C 0.059 174.165 174.090 0.026 0.000 1.245 454 c CA -0.595 55.636 56.329 -0.163 0.000 1.548 454 c CB 1.087 43.419 42.510 -0.296 0.000 2.214 454 c HN 0.535 nan 8.230 nan 0.000 0.477 455 Q N 0.566 120.384 119.800 0.029 0.000 2.064 455 Q HA 0.203 4.543 4.340 -0.001 0.000 0.213 455 Q C -1.108 175.027 176.000 0.225 0.000 0.779 455 Q CA 0.046 55.961 55.803 0.187 0.000 1.032 455 Q CB 1.194 30.028 28.738 0.160 0.000 1.203 455 Q HN 0.815 nan 8.270 nan 0.000 0.457 456 Y N 0.352 120.618 120.300 -0.057 0.000 2.317 456 Y HA 0.363 4.912 4.550 -0.001 0.000 0.329 456 Y C -1.700 174.166 175.900 -0.057 0.000 1.101 456 Y CA -0.977 57.138 58.100 0.025 0.000 1.228 456 Y CB 0.877 39.359 38.460 0.036 0.000 1.123 456 Y HN -0.069 nan 8.280 nan 0.000 0.457 457 Y N 1.572 121.884 120.300 0.020 0.000 2.598 457 Y HA 0.751 5.300 4.550 -0.001 0.000 0.340 457 Y C -0.090 175.866 175.900 0.093 0.000 1.038 457 Y CA -1.088 57.036 58.100 0.041 0.000 1.100 457 Y CB 2.327 40.735 38.460 -0.087 0.000 1.281 457 Y HN 0.433 nan 8.280 nan 0.000 0.488 458 S N 0.336 116.240 115.700 0.340 0.000 2.546 458 S HA 0.972 5.441 4.470 -0.001 0.000 0.274 458 S C -1.234 173.500 174.600 0.224 0.000 1.121 458 S CA -0.744 57.636 58.200 0.301 0.000 0.887 458 S CB 1.915 65.383 63.200 0.447 0.000 1.094 458 S HN 1.014 nan 8.310 nan 0.000 0.474 459 A N 0.838 123.777 122.820 0.199 0.000 2.413 459 A HA 0.902 5.222 4.320 -0.001 0.000 0.307 459 A C -0.430 177.286 177.584 0.221 0.000 1.087 459 A CA -0.820 51.299 52.037 0.137 0.000 0.750 459 A CB 1.874 20.881 19.000 0.011 0.000 1.296 459 A HN 1.261 nan 8.150 nan 0.000 0.423 460 S N 0.985 116.798 115.700 0.188 0.000 2.745 460 S HA 0.643 5.113 4.470 -0.001 0.000 0.283 460 S C -1.271 173.519 174.600 0.318 0.000 1.170 460 S CA -0.408 57.999 58.200 0.344 0.000 1.119 460 S CB -0.420 63.014 63.200 0.390 0.000 1.035 460 S HN 0.408 nan 8.310 nan 0.000 0.483 461 F N 2.837 122.847 119.950 0.100 0.000 2.370 461 F HA 0.463 4.990 4.527 -0.001 0.000 0.324 461 F C 1.467 176.870 175.800 -0.662 0.000 1.116 461 F CA -0.358 57.546 58.000 -0.161 0.000 1.123 461 F CB 1.086 39.959 39.000 -0.211 0.000 1.238 461 F HN 0.599 nan 8.300 nan 0.000 0.536 462 S N 0.718 115.880 115.700 -0.897 0.000 2.626 462 S HA 0.141 4.611 4.470 -0.001 0.000 0.257 462 S C 0.994 175.382 174.600 -0.353 0.000 1.288 462 S CA -0.405 57.007 58.200 -1.312 0.000 0.980 462 S CB 0.277 62.826 63.200 -1.085 0.000 0.975 462 S HN 0.718 nan 8.310 nan 0.000 0.577 463 N N 0.752 119.377 118.700 -0.125 0.000 2.036 463 N HA -0.173 4.567 4.740 -0.001 0.000 0.195 463 N C 1.461 176.998 175.510 0.045 0.000 1.037 463 N CA 1.445 54.518 53.050 0.038 0.000 0.855 463 N CB -0.217 38.340 38.487 0.116 0.000 1.033 463 N HN 0.635 nan 8.380 nan 0.000 0.423 464 K N 0.471 120.902 120.400 0.052 0.000 2.410 464 K HA 0.224 4.544 4.320 -0.001 0.000 0.200 464 K C 0.071 176.697 176.600 0.044 0.000 1.023 464 K CA 0.306 56.632 56.287 0.066 0.000 1.149 464 K CB 0.321 32.875 32.500 0.090 0.000 0.859 464 K HN 0.209 nan 8.250 nan 0.000 0.514 465 A N 0.683 123.508 122.820 0.007 0.000 2.952 465 A HA -0.255 4.065 4.320 -0.001 0.000 0.252 465 A C 1.107 178.719 177.584 0.047 0.000 1.323 465 A CA 1.423 53.475 52.037 0.025 0.000 0.957 465 A CB -2.108 16.815 19.000 -0.127 0.000 1.130 465 A HN 0.524 nan 8.150 nan 0.000 0.799 466 K N -1.902 118.508 120.400 0.017 0.000 2.209 466 K HA 0.028 4.348 4.320 -0.001 0.000 0.204 466 K C 0.212 176.539 176.600 -0.456 0.000 1.048 466 K CA 1.802 58.028 56.287 -0.102 0.000 0.940 466 K CB -0.097 32.468 32.500 0.107 0.000 0.729 466 K HN 0.737 nan 8.250 nan 0.000 0.451 467 Y N -1.816 118.457 120.300 -0.045 0.000 2.655 467 Y HA 0.319 4.869 4.550 -0.001 0.000 0.336 467 Y C -1.145 174.709 175.900 -0.077 0.000 1.154 467 Y CA -1.448 56.631 58.100 -0.036 0.000 1.055 467 Y CB 1.687 40.146 38.460 -0.002 0.000 1.295 467 Y HN -0.050 nan 8.280 nan 0.000 0.465 468 Y N -0.916 119.363 120.300 -0.036 0.000 2.521 468 Y HA 0.463 5.012 4.550 -0.001 0.000 0.332 468 Y C -1.463 174.422 175.900 -0.025 0.000 1.121 468 Y CA -1.424 56.490 58.100 -0.311 0.000 1.037 468 Y CB 1.324 39.010 38.460 -1.289 0.000 1.330 468 Y HN 0.615 nan 8.280 nan 0.000 0.452 469 Q N 3.864 123.760 119.800 0.160 0.000 2.241 469 Q HA 0.627 4.967 4.340 -0.001 0.000 0.254 469 Q C -1.856 174.190 176.000 0.076 0.000 0.917 469 Q CA -0.791 55.072 55.803 0.099 0.000 0.919 469 Q CB 1.541 30.349 28.738 0.117 0.000 1.237 469 Q HN 0.969 nan 8.270 nan 0.000 0.434 470 L N 3.848 125.092 121.223 0.035 0.000 2.313 470 L HA 0.522 4.862 4.340 -0.001 0.000 0.283 470 L C -0.789 176.044 176.870 -0.062 0.000 1.013 470 L CA -0.853 54.003 54.840 0.026 0.000 0.816 470 L CB 1.562 43.598 42.059 -0.038 0.000 1.236 470 L HN 0.654 nan 8.230 nan 0.000 0.419 471 R N 2.417 122.838 120.500 -0.131 0.000 2.288 471 R HA 0.296 4.636 4.340 -0.001 0.000 0.326 471 R C -0.815 174.961 176.300 -0.873 0.000 0.959 471 R CA -0.267 55.422 56.100 -0.686 0.000 0.834 471 R CB 1.237 31.229 30.300 -0.513 0.000 1.157 471 R HN 0.515 nan 8.270 nan 0.000 0.470 472 c N 4.724 122.669 118.600 -1.092 0.000 2.265 472 c HA 0.473 5.043 4.570 -0.001 0.000 0.332 472 c C 0.239 173.798 174.090 -0.886 0.000 1.248 472 c CA -0.540 55.179 56.329 -1.017 0.000 1.727 472 c CB -0.994 41.023 42.510 -0.823 0.000 2.348 472 c HN 0.974 nan 8.230 nan 0.000 0.519 473 F N 4.184 123.979 119.950 -0.258 0.000 2.678 473 F HA 0.458 4.984 4.527 -0.001 0.000 0.305 473 F C 1.420 177.180 175.800 -0.066 0.000 1.090 473 F CA 0.596 58.525 58.000 -0.118 0.000 1.272 473 F CB 0.427 39.391 39.000 -0.060 0.000 1.060 473 F HN 0.960 nan 8.300 nan 0.000 0.576 474 G N 0.180 109.007 108.800 0.045 0.000 2.321 474 G HA2 0.118 4.078 3.960 -0.001 0.000 0.298 474 G HA3 0.118 4.078 3.960 -0.001 0.000 0.298 474 G C -2.577 172.340 174.900 0.027 0.000 1.385 474 G CA -0.723 44.424 45.100 0.079 0.000 0.856 474 G HN -0.300 nan 8.290 nan 0.000 0.584 475 P HA 0.106 nan 4.420 nan 0.000 0.225 475 P C 1.290 178.650 177.300 0.099 0.000 1.156 475 P CA 1.460 64.611 63.100 0.085 0.000 0.787 475 P CB 0.322 32.058 31.700 0.061 0.000 0.802 476 G N 0.346 109.135 108.800 -0.017 0.000 2.535 476 G HA2 0.401 4.361 3.960 -0.001 0.000 0.282 476 G HA3 0.401 4.361 3.960 -0.001 0.000 0.282 476 G C -0.220 174.488 174.900 -0.320 0.000 1.350 476 G CA -0.753 44.268 45.100 -0.132 0.000 1.039 476 G HN 0.034 nan 8.290 nan 0.000 0.509 477 L N 1.057 121.992 121.223 -0.480 0.000 2.485 477 L HA 0.133 4.472 4.340 -0.001 0.000 0.275 477 L C -1.850 174.835 176.870 -0.309 0.000 1.207 477 L CA -1.193 53.285 54.840 -0.604 0.000 0.855 477 L CB 0.648 42.433 42.059 -0.457 0.000 1.114 477 L HN 0.241 nan 8.230 nan 0.000 0.485 478 P HA 0.010 nan 4.420 nan 0.000 0.265 478 P C -0.912 176.280 177.300 -0.179 0.000 1.187 478 P CA 0.032 63.032 63.100 -0.167 0.000 0.766 478 P CB 0.544 32.307 31.700 0.106 0.000 0.820 479 L N 5.260 126.247 121.223 -0.394 0.000 2.409 479 L HA 0.487 4.827 4.340 -0.001 0.000 0.272 479 L C -1.773 174.829 176.870 -0.445 0.000 0.980 479 L CA -0.719 53.963 54.840 -0.263 0.000 0.826 479 L CB 0.951 42.876 42.059 -0.224 0.000 1.268 479 L HN 0.242 nan 8.230 nan 0.000 0.407 480 Y N 3.009 123.212 120.300 -0.161 0.000 2.328 480 Y HA 0.703 5.252 4.550 -0.001 0.000 0.333 480 Y C 0.421 176.206 175.900 -0.191 0.000 0.958 480 Y CA -0.481 57.516 58.100 -0.172 0.000 1.167 480 Y CB 2.053 40.426 38.460 -0.145 0.000 1.151 480 Y HN 0.681 nan 8.280 nan 0.000 0.470 481 T N 1.209 115.749 114.554 -0.023 0.000 2.906 481 T HA 0.675 5.024 4.350 -0.001 0.000 0.295 481 T C -1.278 173.413 174.700 -0.015 0.000 1.075 481 T CA -0.947 61.127 62.100 -0.043 0.000 1.005 481 T CB 1.662 70.559 68.868 0.048 0.000 1.136 481 T HN 0.534 nan 8.240 nan 0.000 0.498 482 L N 1.553 122.710 121.223 -0.110 0.000 2.322 482 L HA 0.630 4.969 4.340 -0.001 0.000 0.279 482 L C -0.921 175.805 176.870 -0.239 0.000 1.036 482 L CA -0.710 54.078 54.840 -0.087 0.000 0.807 482 L CB 1.313 43.320 42.059 -0.087 0.000 1.226 482 L HN 0.883 nan 8.230 nan 0.000 0.433 483 H N 0.662 119.484 119.070 -0.414 0.000 2.946 483 H HA 0.385 4.940 4.556 -0.001 0.000 0.365 483 H C -0.925 174.147 175.328 -0.427 0.000 1.197 483 H CA -0.432 55.258 56.048 -0.597 0.000 1.131 483 H CB 2.154 31.148 29.762 -1.280 0.000 1.849 483 H HN 0.398 nan 8.280 nan 0.000 0.555 484 S N -0.047 115.562 115.700 -0.153 0.000 2.454 484 S HA 0.271 4.740 4.470 -0.001 0.000 0.306 484 S C 0.463 175.053 174.600 -0.017 0.000 1.100 484 S CA -0.561 57.547 58.200 -0.154 0.000 1.087 484 S CB 0.827 63.961 63.200 -0.110 0.000 1.019 484 S HN 0.634 nan 8.310 nan 0.000 0.480 485 S N 3.280 118.980 115.700 0.000 0.000 2.428 485 S HA -0.092 4.378 4.470 -0.001 0.000 0.230 485 S C 2.146 176.790 174.600 0.074 0.000 1.014 485 S CA 1.201 59.508 58.200 0.177 0.000 0.957 485 S CB -0.319 62.985 63.200 0.173 0.000 0.784 485 S HN 0.902 nan 8.310 nan 0.000 0.499 486 S N 2.760 118.449 115.700 -0.018 0.000 2.335 486 S HA -0.116 4.354 4.470 -0.001 0.000 0.216 486 S C 2.102 176.709 174.600 0.012 0.000 1.032 486 S CA 1.438 59.641 58.200 0.004 0.000 1.000 486 S CB -0.891 62.290 63.200 -0.031 0.000 0.928 486 S HN 0.593 nan 8.310 nan 0.000 0.434 487 S N 0.412 116.110 115.700 -0.004 0.000 2.458 487 S HA 0.077 4.547 4.470 -0.001 0.000 0.223 487 S C 0.512 175.122 174.600 0.016 0.000 1.019 487 S CA 0.857 59.059 58.200 0.004 0.000 0.937 487 S CB -0.571 62.626 63.200 -0.005 0.000 0.788 487 S HN 0.414 nan 8.310 nan 0.000 0.511 488 D N 0.743 121.167 120.400 0.040 0.000 3.041 488 D HA -0.134 4.506 4.640 -0.001 0.000 0.220 488 D C -0.134 176.214 176.300 0.080 0.000 1.157 488 D CA 1.025 55.085 54.000 0.101 0.000 0.876 488 D CB -1.269 39.579 40.800 0.080 0.000 1.107 488 D HN 0.696 nan 8.370 nan 0.000 0.422 489 K N 1.036 121.438 120.400 0.004 0.000 2.144 489 K HA 0.210 4.529 4.320 -0.001 0.000 0.270 489 K C 0.124 176.614 176.600 -0.184 0.000 1.005 489 K CA -0.457 55.800 56.287 -0.050 0.000 0.932 489 K CB 0.894 33.365 32.500 -0.049 0.000 1.021 489 K HN 0.025 nan 8.250 nan 0.000 0.462 490 E N 5.217 125.239 120.200 -0.297 0.000 2.220 490 E HA -0.006 4.343 4.350 -0.001 0.000 0.272 490 E C 0.676 177.062 176.600 -0.357 0.000 1.099 490 E CA -0.162 55.858 56.400 -0.634 0.000 0.907 490 E CB 0.415 29.819 29.700 -0.494 0.000 1.022 490 E HN 0.633 nan 8.360 nan 0.000 0.428 491 L N 4.681 125.705 121.223 -0.331 0.000 2.027 491 L HA -0.062 4.277 4.340 -0.001 0.000 0.206 491 L C 1.298 178.081 176.870 -0.146 0.000 1.074 491 L CA 1.159 55.901 54.840 -0.162 0.000 0.745 491 L CB -0.635 41.371 42.059 -0.087 0.000 0.898 491 L HN 0.607 nan 8.230 nan 0.000 0.433 492 R N -2.127 118.258 120.500 -0.191 0.000 2.774 492 R HA 0.460 4.800 4.340 -0.001 0.000 0.279 492 R C -1.658 174.539 176.300 -0.172 0.000 1.022 492 R CA -0.939 55.072 56.100 -0.148 0.000 0.855 492 R CB 1.443 31.682 30.300 -0.102 0.000 1.279 492 R HN -0.277 nan 8.270 nan 0.000 0.485 493 V N 2.762 122.593 119.914 -0.139 0.000 2.383 493 V HA 0.208 4.327 4.120 -0.001 0.000 0.275 493 V C 1.310 177.283 176.094 -0.202 0.000 1.036 493 V CA -0.493 61.724 62.300 -0.137 0.000 0.889 493 V CB 1.172 32.942 31.823 -0.087 0.000 0.985 493 V HN 0.628 nan 8.190 nan 0.000 0.459 494 L N 2.581 123.619 121.223 -0.309 0.000 2.102 494 L HA 0.245 4.585 4.340 -0.001 0.000 0.202 494 L C 0.782 177.439 176.870 -0.354 0.000 1.076 494 L CA 0.881 55.346 54.840 -0.624 0.000 0.761 494 L CB 0.178 41.542 42.059 -1.159 0.000 0.921 494 L HN 0.664 nan 8.230 nan 0.000 0.444 495 E N 0.056 120.180 120.200 -0.127 0.000 2.307 495 E HA 0.081 4.430 4.350 -0.001 0.000 0.280 495 E C -0.935 175.707 176.600 0.070 0.000 0.900 495 E CA -0.315 56.099 56.400 0.023 0.000 0.790 495 E CB 1.111 30.849 29.700 0.063 0.000 1.261 495 E HN 0.165 nan 8.360 nan 0.000 0.405 496 D N 3.327 123.741 120.400 0.023 0.000 2.433 496 D HA 0.066 4.706 4.640 -0.001 0.000 0.211 496 D C -0.333 175.961 176.300 -0.010 0.000 1.114 496 D CA -0.237 53.761 54.000 -0.002 0.000 0.837 496 D CB -0.044 40.742 40.800 -0.023 0.000 0.984 496 D HN 0.462 nan 8.370 nan 0.000 0.505 497 N N 0.976 119.683 118.700 0.011 0.000 2.710 497 N HA -0.225 4.514 4.740 -0.001 0.000 0.249 497 N C 1.151 176.647 175.510 -0.023 0.000 1.059 497 N CA 0.949 53.997 53.050 -0.003 0.000 0.720 497 N CB -1.440 37.037 38.487 -0.016 0.000 0.983 497 N HN 0.510 nan 8.380 nan 0.000 0.544 498 S N -1.025 114.665 115.700 -0.016 0.000 2.400 498 S HA -0.118 4.352 4.470 -0.001 0.000 0.232 498 S C 2.051 176.645 174.600 -0.009 0.000 1.025 498 S CA 1.090 59.279 58.200 -0.018 0.000 0.993 498 S CB -0.153 63.040 63.200 -0.010 0.000 0.808 498 S HN 0.520 nan 8.310 nan 0.000 0.478 499 A N 1.579 124.401 122.820 0.003 0.000 1.898 499 A HA 0.177 4.496 4.320 -0.001 0.000 0.216 499 A C 2.224 179.826 177.584 0.030 0.000 1.181 499 A CA 1.382 53.431 52.037 0.019 0.000 0.620 499 A CB -0.790 18.224 19.000 0.025 0.000 0.819 499 A HN 0.526 nan 8.150 nan 0.000 0.442 500 L N 0.252 121.489 121.223 0.024 0.000 2.093 500 L HA -0.111 4.228 4.340 -0.001 0.000 0.208 500 L C 1.912 178.763 176.870 -0.032 0.000 1.085 500 L CA 2.605 57.462 54.840 0.029 0.000 0.755 500 L CB -0.576 41.502 42.059 0.032 0.000 0.904 500 L HN 0.469 nan 8.230 nan 0.000 0.435 501 D N -0.618 119.749 120.400 -0.055 0.000 2.158 501 D HA -0.279 4.361 4.640 -0.001 0.000 0.197 501 D C 2.155 178.425 176.300 -0.050 0.000 0.995 501 D CA 1.390 55.344 54.000 -0.076 0.000 0.846 501 D CB 0.056 40.814 40.800 -0.071 0.000 0.941 501 D HN 0.202 nan 8.370 nan 0.000 0.456 502 K N -0.128 120.259 120.400 -0.021 0.000 1.985 502 K HA -0.073 4.247 4.320 -0.001 0.000 0.210 502 K C 2.199 178.802 176.600 0.004 0.000 1.047 502 K CA 1.536 57.822 56.287 -0.002 0.000 0.932 502 K CB -0.407 32.103 32.500 0.016 0.000 0.716 502 K HN 0.189 nan 8.250 nan 0.000 0.439 503 M N 0.323 119.938 119.600 0.025 0.000 2.106 503 M HA -0.202 4.277 4.480 -0.001 0.000 0.259 503 M C 2.130 178.385 176.300 -0.076 0.000 1.068 503 M CA 1.710 57.040 55.300 0.050 0.000 1.100 503 M CB -0.542 32.160 32.600 0.171 0.000 1.351 503 M HN 0.123 nan 8.290 nan 0.000 0.404 504 L N 0.212 121.334 121.223 -0.168 0.000 2.141 504 L HA -0.210 4.129 4.340 -0.001 0.000 0.209 504 L C 2.804 179.611 176.870 -0.105 0.000 1.094 504 L CA 1.210 55.917 54.840 -0.222 0.000 0.763 504 L CB -0.935 40.998 42.059 -0.209 0.000 0.908 504 L HN 0.482 nan 8.230 nan 0.000 0.437 505 Q N -0.227 119.537 119.800 -0.059 0.000 2.234 505 Q HA -0.278 4.061 4.340 -0.001 0.000 0.206 505 Q C 1.441 177.439 176.000 -0.004 0.000 0.980 505 Q CA 1.853 57.640 55.803 -0.027 0.000 0.869 505 Q CB -0.493 28.236 28.738 -0.014 0.000 0.912 505 Q HN 0.468 nan 8.270 nan 0.000 0.436 506 D N 0.891 121.293 120.400 0.004 0.000 2.363 506 D HA 0.010 4.649 4.640 -0.001 0.000 0.226 506 D C -0.382 175.949 176.300 0.052 0.000 1.020 506 D CA 0.163 54.186 54.000 0.038 0.000 0.892 506 D CB 0.650 41.487 40.800 0.063 0.000 0.900 506 D HN 0.141 nan 8.370 nan 0.000 0.531 507 V N 0.310 120.237 119.914 0.021 0.000 3.007 507 V HA 0.270 4.389 4.120 -0.001 0.000 0.311 507 V C -1.279 174.825 176.094 0.017 0.000 1.120 507 V CA -0.795 61.532 62.300 0.046 0.000 0.980 507 V CB 2.225 34.085 31.823 0.062 0.000 1.033 507 V HN -0.147 nan 8.190 nan 0.000 0.429 508 Q N 5.720 125.540 119.800 0.032 0.000 2.431 508 Q HA 0.356 4.696 4.340 -0.001 0.000 0.234 508 Q C -0.481 175.503 176.000 -0.026 0.000 1.203 508 Q CA 0.013 55.798 55.803 -0.029 0.000 0.902 508 Q CB 0.550 29.270 28.738 -0.029 0.000 1.455 508 Q HN 0.578 nan 8.270 nan 0.000 0.515 509 M N 4.462 124.029 119.600 -0.055 0.000 2.216 509 M HA 0.326 4.805 4.480 -0.001 0.000 0.356 509 M C -1.908 174.342 176.300 -0.083 0.000 1.205 509 M CA -2.326 52.938 55.300 -0.061 0.000 1.122 509 M CB 0.397 32.958 32.600 -0.064 0.000 1.571 509 M HN 0.341 nan 8.290 nan 0.000 0.464 510 P HA 0.170 nan 4.420 nan 0.000 0.275 510 P C -0.777 176.463 177.300 -0.101 0.000 1.270 510 P CA -0.275 62.762 63.100 -0.104 0.000 0.791 510 P CB 0.382 32.013 31.700 -0.115 0.000 1.089 511 S N -1.516 114.112 115.700 -0.120 0.000 2.607 511 S HA 0.601 5.071 4.470 -0.001 0.000 0.303 511 S C -0.579 173.946 174.600 -0.125 0.000 1.086 511 S CA -0.875 57.263 58.200 -0.104 0.000 0.995 511 S CB 1.923 65.064 63.200 -0.098 0.000 1.084 511 S HN 0.519 nan 8.310 nan 0.000 0.507 512 K N 1.106 121.453 120.400 -0.088 0.000 2.535 512 K HA 0.391 4.710 4.320 -0.001 0.000 0.253 512 K C -1.219 175.341 176.600 -0.067 0.000 0.953 512 K CA -0.452 55.786 56.287 -0.083 0.000 0.863 512 K CB 1.078 33.544 32.500 -0.056 0.000 1.111 512 K HN 0.701 nan 8.250 nan 0.000 0.431 513 K N 4.728 125.073 120.400 -0.092 0.000 2.182 513 K HA 0.357 4.677 4.320 -0.001 0.000 0.262 513 K C -1.314 175.232 176.600 -0.091 0.000 0.957 513 K CA -0.772 55.469 56.287 -0.076 0.000 0.842 513 K CB 0.874 33.316 32.500 -0.096 0.000 1.099 513 K HN 0.431 nan 8.250 nan 0.000 0.438 514 L N 3.818 125.018 121.223 -0.039 0.000 2.305 514 L HA 0.411 4.750 4.340 -0.001 0.000 0.284 514 L C -0.557 176.309 176.870 -0.007 0.000 1.013 514 L CA -0.008 54.831 54.840 -0.002 0.000 0.819 514 L CB 1.533 43.684 42.059 0.154 0.000 1.227 514 L HN 0.767 nan 8.230 nan 0.000 0.417 515 D N 1.560 121.793 120.400 -0.278 0.000 2.812 515 D HA 0.724 5.363 4.640 -0.001 0.000 0.318 515 D C -1.420 174.724 176.300 -0.260 0.000 1.234 515 D CA -0.181 53.665 54.000 -0.257 0.000 0.989 515 D CB 2.294 43.008 40.800 -0.142 0.000 1.442 515 D HN 0.084 nan 8.370 nan 0.000 0.537 516 V N 0.569 120.426 119.914 -0.095 0.000 3.074 516 V HA 0.716 4.836 4.120 -0.001 0.000 0.314 516 V C -0.062 176.208 176.094 0.294 0.000 1.117 516 V CA -0.786 61.519 62.300 0.008 0.000 1.014 516 V CB 1.833 33.348 31.823 -0.513 0.000 1.057 516 V HN 0.625 nan 8.190 nan 0.000 0.438 517 I N -0.772 119.979 120.570 0.302 0.000 3.279 517 I HA 0.698 4.868 4.170 -0.001 0.000 0.315 517 I C -1.233 175.002 176.117 0.196 0.000 1.187 517 I CA -0.893 60.525 61.300 0.197 0.000 0.953 517 I CB 2.626 40.669 38.000 0.072 0.000 1.279 517 I HN 0.512 nan 8.210 nan 0.000 0.465 518 N N 1.978 120.755 118.700 0.127 0.000 2.417 518 N HA 0.722 5.462 4.740 -0.001 0.000 0.274 518 N C -1.643 173.988 175.510 0.201 0.000 0.987 518 N CA -0.400 52.742 53.050 0.153 0.000 0.912 518 N CB 1.456 39.986 38.487 0.071 0.000 1.177 518 N HN 0.526 nan 8.380 nan 0.000 0.490 519 L N 2.575 124.026 121.223 0.380 0.000 2.386 519 L HA 0.380 4.720 4.340 -0.001 0.000 0.271 519 L C -0.161 177.007 176.870 0.496 0.000 0.993 519 L CA -0.884 54.211 54.840 0.424 0.000 0.819 519 L CB 1.615 43.957 42.059 0.471 0.000 1.294 519 L HN 0.757 nan 8.230 nan 0.000 0.414 520 H N 1.975 121.121 119.070 0.127 0.000 2.740 520 H HA -0.214 4.341 4.556 -0.001 0.000 0.306 520 H C 1.214 176.588 175.328 0.077 0.000 1.096 520 H CA 1.351 57.447 56.048 0.081 0.000 1.155 520 H CB -1.190 28.612 29.762 0.067 0.000 1.367 520 H HN 1.036 nan 8.280 nan 0.000 0.387 521 G N -1.977 106.913 108.800 0.150 0.000 2.175 521 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.244 521 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.244 521 G C 0.307 175.235 174.900 0.046 0.000 0.982 521 G CA 0.249 45.396 45.100 0.079 0.000 0.641 521 G HN 0.694 nan 8.290 nan 0.000 0.527 522 T N 0.446 115.033 114.554 0.056 0.000 2.887 522 T HA 0.586 4.935 4.350 -0.001 0.000 0.288 522 T C -0.040 174.518 174.700 -0.236 0.000 1.021 522 T CA -0.348 61.647 62.100 -0.174 0.000 1.000 522 T CB 1.855 70.455 68.868 -0.447 0.000 1.034 522 T HN 0.630 nan 8.240 nan 0.000 0.467 523 K N 1.735 121.972 120.400 -0.271 0.000 2.276 523 K HA 0.574 4.894 4.320 -0.001 0.000 0.285 523 K C -1.319 175.122 176.600 -0.264 0.000 1.062 523 K CA -0.413 55.775 56.287 -0.166 0.000 0.918 523 K CB 0.258 32.668 32.500 -0.149 0.000 1.055 523 K HN 0.362 nan 8.250 nan 0.000 0.477 524 F N 1.938 121.980 119.950 0.153 0.000 2.522 524 F HA 0.453 4.980 4.527 -0.001 0.000 0.324 524 F C -0.355 175.622 175.800 0.295 0.000 1.077 524 F CA -0.804 57.322 58.000 0.210 0.000 0.944 524 F CB 1.105 40.188 39.000 0.140 0.000 1.175 524 F HN 0.487 nan 8.300 nan 0.000 0.468 525 W N 2.005 123.502 121.300 0.328 0.000 2.359 525 W HA 0.548 5.208 4.660 -0.001 0.000 0.344 525 W C -0.754 176.059 176.519 0.490 0.000 1.170 525 W CA -0.702 56.847 57.345 0.340 0.000 1.296 525 W CB 0.523 30.093 29.460 0.183 0.000 1.197 525 W HN 0.429 nan 8.180 nan 0.000 0.618 526 Y N -0.811 119.883 120.300 0.657 0.000 2.670 526 Y HA 0.624 5.173 4.550 -0.001 0.000 0.334 526 Y C -1.028 175.115 175.900 0.405 0.000 1.185 526 Y CA -1.748 56.720 58.100 0.614 0.000 1.053 526 Y CB 1.030 40.035 38.460 0.909 0.000 1.298 526 Y HN 0.582 nan 8.280 nan 0.000 0.459 527 Q N 1.982 121.937 119.800 0.258 0.000 2.495 527 Q HA 0.802 5.141 4.340 -0.001 0.000 0.287 527 Q C -1.793 174.269 176.000 0.104 0.000 1.078 527 Q CA -1.289 54.537 55.803 0.038 0.000 0.793 527 Q CB 3.475 32.255 28.738 0.068 0.000 1.459 527 Q HN 0.848 nan 8.270 nan 0.000 0.422 528 M N 1.945 121.543 119.600 -0.004 0.000 2.271 528 M HA 0.415 4.894 4.480 -0.001 0.000 0.285 528 M C -1.384 174.844 176.300 -0.119 0.000 1.059 528 M CA -0.821 54.447 55.300 -0.053 0.000 0.940 528 M CB 2.289 34.844 32.600 -0.076 0.000 1.636 528 M HN 0.577 nan 8.290 nan 0.000 0.460 529 I N 4.956 125.456 120.570 -0.117 0.000 2.312 529 I HA 0.388 4.558 4.170 -0.001 0.000 0.291 529 I C -0.402 175.578 176.117 -0.229 0.000 1.031 529 I CA -0.265 60.950 61.300 -0.143 0.000 1.293 529 I CB 0.375 38.312 38.000 -0.106 0.000 1.403 529 I HN 0.653 nan 8.210 nan 0.000 0.484 530 L N 8.185 129.231 121.223 -0.295 0.000 2.317 530 L HA 0.465 4.805 4.340 -0.001 0.000 0.281 530 L C -2.291 174.410 176.870 -0.282 0.000 1.024 530 L CA -1.903 52.666 54.840 -0.452 0.000 0.810 530 L CB 1.528 43.182 42.059 -0.675 0.000 1.240 530 L HN 0.255 nan 8.230 nan 0.000 0.427 531 P HA 0.086 nan 4.420 nan 0.000 0.267 531 P C -2.449 174.835 177.300 -0.026 0.000 1.200 531 P CA -0.827 62.224 63.100 -0.080 0.000 0.772 531 P CB -0.054 31.659 31.700 0.020 0.000 0.855 532 P HA -0.042 nan 4.420 nan 0.000 0.266 532 P C -0.540 176.741 177.300 -0.032 0.000 1.193 532 P CA 0.505 63.517 63.100 -0.146 0.000 0.770 532 P CB -0.270 31.275 31.700 -0.259 0.000 0.836 533 H N -1.850 117.278 119.070 0.096 0.000 2.756 533 H HA -0.216 4.339 4.556 -0.001 0.000 0.315 533 H C -0.003 175.421 175.328 0.160 0.000 1.210 533 H CA -0.511 55.599 56.048 0.103 0.000 1.150 533 H CB -1.891 27.918 29.762 0.079 0.000 1.463 533 H HN 0.318 nan 8.280 nan 0.000 0.427 534 F N 2.155 122.154 119.950 0.082 0.000 2.518 534 F HA 0.233 4.760 4.527 -0.001 0.000 0.359 534 F C 0.493 176.350 175.800 0.096 0.000 1.118 534 F CA -0.102 57.916 58.000 0.030 0.000 1.287 534 F CB 0.717 39.614 39.000 -0.171 0.000 1.132 534 F HN 0.326 nan 8.300 nan 0.000 0.587 535 D N 5.248 125.303 120.400 -0.575 0.000 2.479 535 D HA 0.197 4.837 4.640 -0.001 0.000 0.246 535 D C -1.051 174.874 176.300 -0.626 0.000 1.336 535 D CA -0.727 52.985 54.000 -0.480 0.000 0.967 535 D CB 0.788 41.496 40.800 -0.152 0.000 1.275 535 D HN 0.609 nan 8.370 nan 0.000 0.577 536 K N 1.831 121.831 120.400 -0.666 0.000 2.229 536 K HA 0.326 4.646 4.320 -0.001 0.000 0.250 536 K C 0.220 176.767 176.600 -0.087 0.000 1.016 536 K CA -0.025 56.108 56.287 -0.257 0.000 0.866 536 K CB 0.246 32.728 32.500 -0.029 0.000 1.028 536 K HN 0.363 nan 8.250 nan 0.000 0.514 537 S N -1.830 113.888 115.700 0.031 0.000 2.154 537 S HA -0.179 4.291 4.470 -0.001 0.000 0.247 537 S C -0.163 174.418 174.600 -0.032 0.000 1.170 537 S CA 1.446 59.644 58.200 -0.002 0.000 1.419 537 S CB -1.248 61.932 63.200 -0.033 0.000 1.768 537 S HN 0.801 nan 8.310 nan 0.000 0.587 538 K N 1.903 122.274 120.400 -0.048 0.000 2.274 538 K HA 0.405 4.725 4.320 -0.001 0.000 0.262 538 K C -1.059 175.482 176.600 -0.098 0.000 0.961 538 K CA -0.607 55.581 56.287 -0.164 0.000 0.833 538 K CB 0.782 33.081 32.500 -0.335 0.000 1.102 538 K HN 0.088 nan 8.250 nan 0.000 0.436 539 K N 3.875 124.199 120.400 -0.127 0.000 2.267 539 K HA 0.173 4.493 4.320 -0.001 0.000 0.282 539 K C -1.057 175.504 176.600 -0.065 0.000 1.078 539 K CA -0.418 55.864 56.287 -0.008 0.000 0.903 539 K CB 0.552 33.031 32.500 -0.035 0.000 1.111 539 K HN 0.376 nan 8.250 nan 0.000 0.475 540 Y N 3.199 123.546 120.300 0.078 0.000 2.453 540 Y HA 0.283 4.833 4.550 -0.001 0.000 0.326 540 Y C -1.882 173.966 175.900 -0.086 0.000 1.186 540 Y CA -2.752 55.368 58.100 0.034 0.000 1.200 540 Y CB 0.423 38.973 38.460 0.151 0.000 1.247 540 Y HN 0.496 nan 8.280 nan 0.000 0.482 541 P HA 0.207 nan 4.420 nan 0.000 0.277 541 P C -1.264 175.910 177.300 -0.210 0.000 1.240 541 P CA -0.227 62.605 63.100 -0.448 0.000 0.798 541 P CB 1.707 32.841 31.700 -0.944 0.000 0.979 542 L N 3.164 124.283 121.223 -0.173 0.000 2.362 542 L HA 0.553 4.893 4.340 -0.001 0.000 0.275 542 L C -1.301 175.761 176.870 0.320 0.000 0.998 542 L CA -0.925 53.965 54.840 0.084 0.000 0.820 542 L CB 1.683 43.769 42.059 0.047 0.000 1.270 542 L HN 0.171 nan 8.230 nan 0.000 0.415 543 L N 6.059 127.466 121.223 0.306 0.000 2.325 543 L HA 0.601 4.941 4.340 -0.001 0.000 0.281 543 L C -1.191 175.886 176.870 0.345 0.000 1.004 543 L CA -0.244 54.820 54.840 0.374 0.000 0.823 543 L CB 1.251 43.479 42.059 0.282 0.000 1.236 543 L HN 0.405 nan 8.230 nan 0.000 0.415 544 I N 4.140 124.967 120.570 0.429 0.000 2.325 544 I HA 0.307 4.477 4.170 -0.001 0.000 0.291 544 I C 0.172 176.526 176.117 0.395 0.000 1.019 544 I CA -0.177 61.358 61.300 0.391 0.000 1.302 544 I CB 1.198 39.472 38.000 0.457 0.000 1.401 544 I HN 0.708 nan 8.210 nan 0.000 0.485 545 E N 6.264 126.664 120.200 0.333 0.000 2.113 545 E HA 0.481 4.831 4.350 -0.001 0.000 0.273 545 E C -1.408 175.257 176.600 0.109 0.000 0.924 545 E CA -0.427 56.092 56.400 0.199 0.000 0.764 545 E CB 1.780 31.698 29.700 0.363 0.000 1.104 545 E HN 0.446 nan 8.360 nan 0.000 0.406 546 V N 5.204 125.108 119.914 -0.017 0.000 2.960 546 V HA 0.456 4.576 4.120 -0.001 0.000 0.315 546 V C -1.313 174.860 176.094 0.132 0.000 1.087 546 V CA -0.266 62.092 62.300 0.098 0.000 0.982 546 V CB 1.654 33.541 31.823 0.106 0.000 1.039 546 V HN 0.918 nan 8.190 nan 0.000 0.437 547 Y N 4.305 124.668 120.300 0.105 0.000 3.223 547 Y HA 0.611 5.161 4.550 -0.001 0.000 0.159 547 Y C 1.487 177.536 175.900 0.249 0.000 0.875 547 Y CA 1.510 59.703 58.100 0.155 0.000 1.850 547 Y CB 0.008 38.541 38.460 0.122 0.000 1.362 547 Y HN 1.339 nan 8.280 nan 0.000 0.341 548 A N 0.630 123.560 122.820 0.184 0.000 2.899 548 A HA -0.120 4.199 4.320 -0.001 0.000 0.257 548 A C 0.885 178.358 177.584 -0.185 0.000 1.335 548 A CA 0.981 53.072 52.037 0.088 0.000 0.924 548 A CB -2.457 16.647 19.000 0.174 0.000 1.105 548 A HN 1.039 nan 8.150 nan 0.000 0.765 549 G N -0.417 107.977 108.800 -0.676 0.000 2.599 549 G HA2 0.537 4.497 3.960 -0.001 0.000 0.264 549 G HA3 0.537 4.497 3.960 -0.001 0.000 0.264 549 G C -1.946 172.597 174.900 -0.595 0.000 1.200 549 G CA -0.803 43.438 45.100 -1.432 0.000 0.896 549 G HN 0.388 nan 8.290 nan 0.000 0.536 550 P HA 0.011 nan 4.420 nan 0.000 0.262 550 P C 0.579 177.692 177.300 -0.311 0.000 1.199 550 P CA 0.311 63.093 63.100 -0.530 0.000 0.763 550 P CB 0.702 31.693 31.700 -1.182 0.000 0.790 551 C N 2.361 121.599 119.300 -0.104 0.000 4.475 551 C HA -0.141 4.318 4.460 -0.001 0.000 0.280 551 C C 1.030 176.051 174.990 0.052 0.000 1.338 551 C CA 1.125 60.081 59.018 -0.104 0.000 1.893 551 C CB -2.578 25.005 27.740 -0.263 0.000 1.299 551 C HN 0.810 nan 8.230 nan 0.000 0.767 552 S N 0.046 115.837 115.700 0.151 0.000 2.652 552 S HA 0.594 5.064 4.470 -0.001 0.000 0.270 552 S C -0.556 174.203 174.600 0.265 0.000 1.243 552 S CA 0.039 58.423 58.200 0.307 0.000 0.999 552 S CB 1.708 65.207 63.200 0.498 0.000 0.973 552 S HN 0.775 nan 8.310 nan 0.000 0.544 553 Q N 0.184 120.158 119.800 0.289 0.000 2.709 553 Q HA 0.289 4.628 4.340 -0.001 0.000 0.232 553 Q C -0.447 175.663 176.000 0.182 0.000 0.856 553 Q CA -0.559 55.404 55.803 0.266 0.000 0.788 553 Q CB 0.795 29.762 28.738 0.383 0.000 1.386 553 Q HN 0.650 nan 8.270 nan 0.000 0.453 554 K N 1.186 121.694 120.400 0.181 0.000 2.314 554 K HA 0.163 4.483 4.320 -0.001 0.000 0.198 554 K C 0.097 176.779 176.600 0.138 0.000 1.045 554 K CA 0.420 56.798 56.287 0.153 0.000 0.988 554 K CB 0.788 33.409 32.500 0.203 0.000 0.783 554 K HN 0.371 nan 8.250 nan 0.000 0.484 555 V N 4.092 124.098 119.914 0.154 0.000 2.320 555 V HA 0.102 4.222 4.120 -0.001 0.000 0.265 555 V C -0.317 175.821 176.094 0.074 0.000 1.048 555 V CA -0.594 61.792 62.300 0.143 0.000 0.865 555 V CB 0.667 32.623 31.823 0.222 0.000 1.043 555 V HN 0.292 nan 8.190 nan 0.000 0.474 556 D N 2.478 122.901 120.400 0.039 0.000 2.759 556 D HA 0.276 4.916 4.640 -0.001 0.000 0.321 556 D C 0.526 176.819 176.300 -0.012 0.000 1.267 556 D CA 0.066 54.076 54.000 0.017 0.000 0.933 556 D CB 1.495 42.312 40.800 0.029 0.000 1.431 556 D HN 0.290 nan 8.370 nan 0.000 0.504 557 T N -2.117 112.445 114.554 0.012 0.000 3.145 557 T HA 0.336 4.686 4.350 -0.001 0.000 0.255 557 T C 0.542 175.186 174.700 -0.093 0.000 1.039 557 T CA -0.359 61.748 62.100 0.012 0.000 0.928 557 T CB -0.689 68.248 68.868 0.116 0.000 1.029 557 T HN 0.282 nan 8.240 nan 0.000 0.554 558 V N 2.382 122.107 119.914 -0.316 0.000 2.843 558 V HA 0.265 4.384 4.120 -0.001 0.000 0.305 558 V C 0.181 176.223 176.094 -0.086 0.000 1.065 558 V CA -0.716 61.385 62.300 -0.332 0.000 1.116 558 V CB 0.032 31.567 31.823 -0.478 0.000 0.968 558 V HN 0.585 nan 8.190 nan 0.000 0.487 559 F N 5.814 125.710 119.950 -0.090 0.000 2.411 559 F HA 0.585 5.112 4.527 -0.001 0.000 0.355 559 F C 0.375 176.159 175.800 -0.027 0.000 1.117 559 F CA -0.365 57.606 58.000 -0.049 0.000 1.139 559 F CB 0.293 39.279 39.000 -0.023 0.000 1.120 559 F HN 0.405 nan 8.300 nan 0.000 0.493 560 R N 6.241 126.243 120.500 -0.830 0.000 2.575 560 R HA 0.416 4.756 4.340 -0.001 0.000 0.293 560 R C -1.730 174.176 176.300 -0.657 0.000 0.983 560 R CA -1.246 54.507 56.100 -0.578 0.000 0.887 560 R CB 1.968 32.116 30.300 -0.253 0.000 1.184 560 R HN 0.526 nan 8.270 nan 0.000 0.445 561 L N 3.227 124.213 121.223 -0.396 0.000 2.358 561 L HA 0.206 4.545 4.340 -0.001 0.000 0.274 561 L C 0.198 177.071 176.870 0.005 0.000 1.136 561 L CA 0.307 55.000 54.840 -0.246 0.000 0.970 561 L CB 0.215 42.296 42.059 0.036 0.000 1.314 561 L HN 0.713 nan 8.230 nan 0.000 0.427 562 S N 1.098 116.724 115.700 -0.123 0.000 2.748 562 S HA 0.275 4.745 4.470 -0.001 0.000 0.299 562 S C 0.665 175.026 174.600 -0.399 0.000 1.119 562 S CA -0.637 57.466 58.200 -0.162 0.000 0.997 562 S CB 0.470 63.653 63.200 -0.029 0.000 1.223 562 S HN 0.521 nan 8.310 nan 0.000 0.541 563 W N 1.125 121.979 121.300 -0.743 0.000 2.381 563 W HA 0.149 4.808 4.660 -0.001 0.000 0.301 563 W C 2.462 178.937 176.519 -0.074 0.000 1.205 563 W CA 1.671 58.686 57.345 -0.550 0.000 1.285 563 W CB -1.092 28.225 29.460 -0.238 0.000 1.133 563 W HN 0.801 nan 8.180 nan 0.000 0.521 564 A N -0.104 122.727 122.820 0.019 0.000 1.940 564 A HA -0.220 4.099 4.320 -0.001 0.000 0.219 564 A C 1.942 179.443 177.584 -0.138 0.000 1.176 564 A CA 2.567 54.539 52.037 -0.109 0.000 0.631 564 A CB -1.325 17.702 19.000 0.046 0.000 0.814 564 A HN 0.314 nan 8.150 nan 0.000 0.446 565 T N -1.008 113.491 114.554 -0.092 0.000 2.580 565 T HA -0.261 4.089 4.350 -0.001 0.000 0.265 565 T C 1.780 176.508 174.700 0.047 0.000 1.063 565 T CA 1.896 63.938 62.100 -0.097 0.000 1.170 565 T CB -0.644 68.075 68.868 -0.248 0.000 0.863 565 T HN 0.671 nan 8.240 nan 0.000 0.418 566 Y N 2.440 122.804 120.300 0.106 0.000 2.069 566 Y HA -0.226 4.323 4.550 -0.001 0.000 0.278 566 Y C 2.026 177.912 175.900 -0.025 0.000 1.175 566 Y CA 1.250 59.436 58.100 0.143 0.000 1.134 566 Y CB -0.954 37.576 38.460 0.117 0.000 0.965 566 Y HN 0.176 nan 8.280 nan 0.000 0.498 567 L N 0.156 120.949 121.223 -0.716 0.000 1.989 567 L HA -0.263 4.077 4.340 -0.001 0.000 0.211 567 L C 2.906 179.555 176.870 -0.368 0.000 1.071 567 L CA 1.432 55.819 54.840 -0.757 0.000 0.749 567 L CB -1.373 40.296 42.059 -0.650 0.000 0.890 567 L HN 0.422 nan 8.230 nan 0.000 0.431 568 A N -0.287 122.392 122.820 -0.234 0.000 1.841 568 A HA -0.291 4.029 4.320 -0.001 0.000 0.216 568 A C 2.565 180.097 177.584 -0.088 0.000 1.199 568 A CA 2.420 54.372 52.037 -0.142 0.000 0.621 568 A CB -1.094 17.823 19.000 -0.139 0.000 0.835 568 A HN 0.418 nan 8.150 nan 0.000 0.445 569 S N -1.618 114.050 115.700 -0.053 0.000 2.359 569 S HA -0.183 4.287 4.470 -0.001 0.000 0.222 569 S C 2.013 176.636 174.600 0.037 0.000 1.038 569 S CA 2.621 60.833 58.200 0.020 0.000 1.051 569 S CB -0.649 62.622 63.200 0.117 0.000 0.944 569 S HN 0.600 nan 8.310 nan 0.000 0.433 570 T N 1.176 115.735 114.554 0.008 0.000 2.925 570 T HA 0.171 4.520 4.350 -0.001 0.000 0.245 570 T C 1.456 176.135 174.700 -0.035 0.000 1.025 570 T CA 0.708 62.829 62.100 0.034 0.000 1.149 570 T CB -0.188 68.779 68.868 0.165 0.000 0.866 570 T HN 0.352 nan 8.240 nan 0.000 0.437 571 E N 1.421 121.505 120.200 -0.194 0.000 2.502 571 E HA 0.125 4.474 4.350 -0.001 0.000 0.194 571 E C 0.091 176.675 176.600 -0.027 0.000 1.062 571 E CA -0.047 56.279 56.400 -0.123 0.000 0.867 571 E CB -0.431 29.121 29.700 -0.246 0.000 0.888 571 E HN 0.427 nan 8.360 nan 0.000 0.510 572 N N 0.435 119.133 118.700 -0.003 0.000 2.708 572 N HA -0.189 4.551 4.740 -0.001 0.000 0.249 572 N C -0.782 174.812 175.510 0.140 0.000 1.097 572 N CA 0.466 53.582 53.050 0.110 0.000 0.710 572 N CB -1.132 37.472 38.487 0.195 0.000 1.032 572 N HN 0.266 nan 8.380 nan 0.000 0.551 573 I N 0.781 121.365 120.570 0.023 0.000 2.385 573 I HA 0.273 4.442 4.170 -0.001 0.000 0.294 573 I C 0.774 176.881 176.117 -0.018 0.000 0.988 573 I CA -0.723 60.607 61.300 0.050 0.000 1.265 573 I CB 1.011 39.055 38.000 0.072 0.000 1.388 573 I HN 0.007 nan 8.210 nan 0.000 0.480 574 I N 6.364 126.931 120.570 -0.005 0.000 2.371 574 I HA 0.189 4.359 4.170 -0.001 0.000 0.290 574 I C -0.365 175.742 176.117 -0.017 0.000 1.028 574 I CA -0.496 60.753 61.300 -0.085 0.000 1.345 574 I CB 1.182 39.124 38.000 -0.095 0.000 1.407 574 I HN 0.213 nan 8.210 nan 0.000 0.501 575 V N 5.973 125.862 119.914 -0.041 0.000 2.384 575 V HA 0.703 4.822 4.120 -0.001 0.000 0.287 575 V C 0.222 176.337 176.094 0.035 0.000 1.020 575 V CA -0.511 61.810 62.300 0.035 0.000 0.850 575 V CB 1.178 33.022 31.823 0.036 0.000 0.987 575 V HN 0.847 nan 8.190 nan 0.000 0.436 576 A N 3.720 126.583 122.820 0.071 0.000 2.380 576 A HA 0.968 5.287 4.320 -0.001 0.000 0.315 576 A C -0.219 177.478 177.584 0.189 0.000 1.101 576 A CA -0.537 51.531 52.037 0.051 0.000 0.771 576 A CB 1.880 20.759 19.000 -0.201 0.000 1.287 576 A HN 0.726 nan 8.150 nan 0.000 0.436 577 S N -0.320 115.536 115.700 0.261 0.000 2.599 577 S HA 0.834 5.304 4.470 -0.001 0.000 0.287 577 S C -1.445 173.485 174.600 0.551 0.000 1.105 577 S CA -0.336 58.072 58.200 0.346 0.000 0.899 577 S CB 1.467 64.826 63.200 0.265 0.000 1.100 577 S HN 0.902 nan 8.310 nan 0.000 0.482 578 F N 1.558 121.713 119.950 0.343 0.000 2.605 578 F HA 0.395 4.921 4.527 -0.001 0.000 0.320 578 F C -1.914 174.066 175.800 0.300 0.000 1.159 578 F CA -0.706 57.533 58.000 0.398 0.000 0.999 578 F CB 1.455 40.708 39.000 0.420 0.000 1.258 578 F HN 0.421 nan 8.300 nan 0.000 0.464 579 D N 4.762 124.968 120.400 -0.323 0.000 2.412 579 D HA 0.446 5.086 4.640 -0.001 0.000 0.224 579 D C 0.297 176.220 176.300 -0.628 0.000 1.093 579 D CA 0.138 53.989 54.000 -0.247 0.000 0.850 579 D CB 1.653 42.469 40.800 0.027 0.000 1.046 579 D HN 0.770 nan 8.370 nan 0.000 0.507 580 G N 1.302 109.765 108.800 -0.563 0.000 2.940 580 G HA2 0.285 4.245 3.960 -0.001 0.000 0.164 580 G HA3 0.285 4.245 3.960 -0.001 0.000 0.164 580 G C -0.019 174.686 174.900 -0.324 0.000 1.326 580 G CA -0.642 44.019 45.100 -0.731 0.000 1.020 580 G HN 0.254 nan 8.290 nan 0.000 0.586 581 R N -0.340 119.976 120.500 -0.307 0.000 2.537 581 R HA 0.392 4.732 4.340 -0.001 0.000 0.281 581 R C 1.281 177.620 176.300 0.064 0.000 0.988 581 R CA 1.984 58.081 56.100 -0.005 0.000 1.077 581 R CB 0.283 30.619 30.300 0.060 0.000 0.932 581 R HN 1.297 nan 8.270 nan 0.000 0.409 582 G N 1.530 110.394 108.800 0.105 0.000 2.254 582 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.225 582 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.225 582 G C 0.185 175.114 174.900 0.047 0.000 1.003 582 G CA 0.198 45.346 45.100 0.080 0.000 0.622 582 G HN 0.839 nan 8.290 nan 0.000 0.507 583 S N 0.254 115.984 115.700 0.051 0.000 2.617 583 S HA 0.664 5.133 4.470 -0.001 0.000 0.255 583 S C 0.772 175.381 174.600 0.015 0.000 1.318 583 S CA 0.693 58.924 58.200 0.052 0.000 0.978 583 S CB 1.606 64.853 63.200 0.079 0.000 0.961 583 S HN 1.831 nan 8.310 nan 0.000 0.582 584 G N -1.913 106.858 108.800 -0.047 0.000 3.042 584 G HA2 0.533 4.493 3.960 -0.001 0.000 0.278 584 G HA3 0.533 4.493 3.960 -0.001 0.000 0.278 584 G C -1.273 173.499 174.900 -0.213 0.000 1.371 584 G CA -0.975 43.970 45.100 -0.258 0.000 1.009 584 G HN 0.886 nan 8.290 nan 0.000 0.523 585 Y N -1.991 118.335 120.300 0.044 0.000 4.569 585 Y HA -0.196 4.354 4.550 -0.001 0.000 0.237 585 Y C 1.261 177.180 175.900 0.032 0.000 1.090 585 Y CA 0.957 59.081 58.100 0.041 0.000 2.052 585 Y CB -2.184 36.316 38.460 0.067 0.000 1.621 585 Y HN 0.548 nan 8.280 nan 0.000 0.682 586 Q N -0.369 119.448 119.800 0.029 0.000 2.057 586 Q HA 0.495 4.835 4.340 -0.001 0.000 0.216 586 Q C 0.820 176.654 176.000 -0.277 0.000 0.788 586 Q CA 0.200 56.008 55.803 0.010 0.000 1.053 586 Q CB 1.718 30.502 28.738 0.077 0.000 1.210 586 Q HN 0.610 nan 8.270 nan 0.000 0.455 587 G N 0.840 109.354 108.800 -0.478 0.000 2.675 587 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.686 587 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.686 587 G C -0.564 174.013 174.900 -0.538 0.000 1.215 587 G CA -0.620 43.969 45.100 -0.852 0.000 0.777 587 G HN 0.151 nan 8.290 nan 0.000 0.638 588 D N -0.157 119.889 120.400 -0.589 0.000 2.310 588 D HA -0.005 4.635 4.640 -0.001 0.000 0.212 588 D C 2.177 178.197 176.300 -0.466 0.000 0.965 588 D CA 1.209 54.807 54.000 -0.670 0.000 0.879 588 D CB 0.160 40.402 40.800 -0.930 0.000 0.921 588 D HN 0.531 nan 8.370 nan 0.000 0.510 589 K N 0.339 120.550 120.400 -0.315 0.000 2.103 589 K HA -0.060 4.259 4.320 -0.001 0.000 0.204 589 K C 1.690 178.254 176.600 -0.060 0.000 1.052 589 K CA 0.673 56.868 56.287 -0.153 0.000 0.945 589 K CB 0.174 32.615 32.500 -0.098 0.000 0.722 589 K HN 0.072 nan 8.250 nan 0.000 0.443 590 I N 0.808 121.338 120.570 -0.067 0.000 2.206 590 I HA -0.241 3.928 4.170 -0.001 0.000 0.239 590 I C 2.567 178.725 176.117 0.067 0.000 1.078 590 I CA 1.030 62.367 61.300 0.061 0.000 1.367 590 I CB -0.671 37.380 38.000 0.086 0.000 1.078 590 I HN 0.333 nan 8.210 nan 0.000 0.413 591 M N 0.590 120.187 119.600 -0.005 0.000 2.065 591 M HA -0.248 4.232 4.480 -0.001 0.000 0.259 591 M C 2.148 178.559 176.300 0.185 0.000 1.071 591 M CA 1.977 57.324 55.300 0.078 0.000 1.109 591 M CB -0.501 32.112 32.600 0.022 0.000 1.313 591 M HN 0.244 nan 8.290 nan 0.000 0.408 592 H N -0.379 118.568 119.070 -0.204 0.000 2.562 592 H HA 0.063 4.619 4.556 -0.001 0.000 0.272 592 H C 1.796 177.124 175.328 -0.000 0.000 1.019 592 H CA 0.041 55.962 56.048 -0.212 0.000 1.160 592 H CB -0.084 29.452 29.762 -0.377 0.000 1.334 592 H HN 0.552 nan 8.280 nan 0.000 0.611 593 A N 1.661 124.587 122.820 0.177 0.000 1.933 593 A HA -0.144 4.175 4.320 -0.001 0.000 0.218 593 A C 2.171 179.883 177.584 0.213 0.000 1.175 593 A CA 1.223 53.391 52.037 0.218 0.000 0.628 593 A CB -0.575 18.573 19.000 0.248 0.000 0.814 593 A HN 0.542 nan 8.150 nan 0.000 0.444 594 I N -2.791 117.866 120.570 0.144 0.000 3.812 594 I HA 0.127 4.297 4.170 -0.001 0.000 0.320 594 I C 0.508 176.609 176.117 -0.028 0.000 1.276 594 I CA -0.489 60.801 61.300 -0.018 0.000 1.164 594 I CB -0.594 37.395 38.000 -0.018 0.000 1.009 594 I HN 0.161 nan 8.210 nan 0.000 0.431 595 N N 3.052 121.810 118.700 0.096 0.000 2.293 595 N HA -0.109 4.630 4.740 -0.001 0.000 0.253 595 N C 0.470 175.932 175.510 -0.080 0.000 1.248 595 N CA 0.641 53.765 53.050 0.123 0.000 0.845 595 N CB 0.381 38.948 38.487 0.133 0.000 1.073 595 N HN 0.398 nan 8.380 nan 0.000 0.464 596 R N -0.046 120.380 120.500 -0.124 0.000 4.018 596 R HA -0.225 4.114 4.340 -0.001 0.000 0.353 596 R C -0.203 175.887 176.300 -0.350 0.000 1.214 596 R CA 1.734 57.690 56.100 -0.240 0.000 1.059 596 R CB -1.282 28.879 30.300 -0.231 0.000 1.512 596 R HN 0.766 nan 8.270 nan 0.000 0.566 597 R N 0.201 120.527 120.500 -0.291 0.000 2.655 597 R HA 0.301 4.641 4.340 -0.001 0.000 0.261 597 R C -0.623 175.575 176.300 -0.169 0.000 1.624 597 R CA -0.665 55.292 56.100 -0.239 0.000 1.655 597 R CB 0.403 30.484 30.300 -0.364 0.000 1.356 597 R HN -0.045 nan 8.270 nan 0.000 0.684 598 L N 1.348 122.469 121.223 -0.170 0.000 2.426 598 L HA 0.369 4.709 4.340 -0.001 0.000 0.271 598 L C 1.054 178.051 176.870 0.211 0.000 1.169 598 L CA 0.834 55.638 54.840 -0.059 0.000 0.836 598 L CB 1.028 42.880 42.059 -0.345 0.000 1.112 598 L HN 0.923 nan 8.230 nan 0.000 0.465 599 G N 1.333 110.339 108.800 0.343 0.000 2.171 599 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.238 599 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.238 599 G C 0.372 175.339 174.900 0.112 0.000 1.039 599 G CA 0.437 45.732 45.100 0.325 0.000 0.759 599 G HN 0.829 nan 8.290 nan 0.000 0.501 600 T N -3.998 110.587 114.554 0.050 0.000 3.364 600 T HA 0.447 4.796 4.350 -0.001 0.000 0.179 600 T C 1.668 176.463 174.700 0.158 0.000 0.939 600 T CA 0.923 63.033 62.100 0.017 0.000 1.094 600 T CB 0.032 68.787 68.868 -0.188 0.000 1.532 600 T HN 0.135 nan 8.240 nan 0.000 0.346 601 F N 3.597 123.577 119.950 0.050 0.000 2.095 601 F HA 0.064 4.591 4.527 -0.001 0.000 0.298 601 F C 2.856 178.655 175.800 -0.002 0.000 1.104 601 F CA 1.229 59.230 58.000 0.002 0.000 1.232 601 F CB -0.995 37.988 39.000 -0.028 0.000 0.987 601 F HN 0.509 nan 8.300 nan 0.000 0.475 602 E N 1.344 121.674 120.200 0.216 0.000 2.118 602 E HA -0.191 4.158 4.350 -0.001 0.000 0.195 602 E C 2.283 178.968 176.600 0.143 0.000 0.992 602 E CA 1.862 58.352 56.400 0.150 0.000 0.804 602 E CB -1.377 28.411 29.700 0.147 0.000 0.741 602 E HN 0.356 nan 8.360 nan 0.000 0.458 603 V N 0.559 120.544 119.914 0.119 0.000 2.346 603 V HA -0.158 3.962 4.120 -0.001 0.000 0.244 603 V C 2.110 178.250 176.094 0.076 0.000 1.037 603 V CA 1.958 64.293 62.300 0.058 0.000 1.029 603 V CB -0.390 31.410 31.823 -0.038 0.000 0.663 603 V HN 0.141 nan 8.190 nan 0.000 0.454 604 E N 0.176 120.441 120.200 0.109 0.000 2.097 604 E HA -0.253 4.097 4.350 -0.001 0.000 0.196 604 E C 1.878 178.531 176.600 0.088 0.000 1.000 604 E CA 1.811 58.278 56.400 0.111 0.000 0.804 604 E CB -0.224 29.579 29.700 0.172 0.000 0.740 604 E HN 0.673 nan 8.360 nan 0.000 0.454 605 D N 0.039 120.492 120.400 0.090 0.000 2.348 605 D HA -0.102 4.538 4.640 -0.001 0.000 0.216 605 D C 1.806 178.183 176.300 0.128 0.000 0.970 605 D CA 0.600 54.652 54.000 0.087 0.000 0.889 605 D CB 0.037 40.876 40.800 0.065 0.000 0.912 605 D HN 0.165 nan 8.370 nan 0.000 0.524 606 Q N 0.026 119.917 119.800 0.152 0.000 2.163 606 Q HA 0.051 4.391 4.340 -0.001 0.000 0.198 606 Q C 2.520 178.585 176.000 0.109 0.000 0.954 606 Q CA 0.305 56.214 55.803 0.176 0.000 0.851 606 Q CB 0.226 29.072 28.738 0.179 0.000 0.928 606 Q HN 0.404 nan 8.270 nan 0.000 0.459 607 I N 0.887 121.526 120.570 0.114 0.000 2.142 607 I HA -0.235 3.935 4.170 -0.001 0.000 0.240 607 I C 2.449 178.565 176.117 -0.003 0.000 1.078 607 I CA 1.061 62.451 61.300 0.150 0.000 1.343 607 I CB -0.285 37.796 38.000 0.135 0.000 1.046 607 I HN 0.137 nan 8.210 nan 0.000 0.405 608 E N 1.284 121.446 120.200 -0.062 0.000 2.077 608 E HA -0.204 4.145 4.350 -0.001 0.000 0.193 608 E C 2.234 178.628 176.600 -0.342 0.000 0.989 608 E CA 1.609 57.924 56.400 -0.142 0.000 0.800 608 E CB -0.124 29.531 29.700 -0.074 0.000 0.746 608 E HN 0.454 nan 8.360 nan 0.000 0.452 609 A N 0.130 122.617 122.820 -0.555 0.000 1.902 609 A HA -0.165 4.155 4.320 -0.001 0.000 0.217 609 A C 2.458 179.397 177.584 -1.076 0.000 1.181 609 A CA 2.181 53.548 52.037 -1.116 0.000 0.623 609 A CB -0.927 16.893 19.000 -1.966 0.000 0.818 609 A HN 0.312 nan 8.150 nan 0.000 0.443 610 T N -0.244 114.063 114.554 -0.412 0.000 2.622 610 T HA -0.182 4.167 4.350 -0.001 0.000 0.266 610 T C 2.037 176.629 174.700 -0.181 0.000 1.047 610 T CA 1.586 63.658 62.100 -0.047 0.000 1.159 610 T CB -0.305 68.640 68.868 0.129 0.000 0.863 610 T HN 0.512 nan 8.240 nan 0.000 0.422 611 R N 0.849 121.226 120.500 -0.205 0.000 2.136 611 R HA -0.218 4.121 4.340 -0.001 0.000 0.242 611 R C 2.804 178.974 176.300 -0.217 0.000 1.131 611 R CA 2.051 58.038 56.100 -0.189 0.000 0.937 611 R CB -0.419 29.788 30.300 -0.155 0.000 0.863 611 R HN 0.540 nan 8.270 nan 0.000 0.435 612 Q N -0.539 119.068 119.800 -0.322 0.000 2.014 612 Q HA -0.216 4.124 4.340 -0.001 0.000 0.207 612 Q C 2.096 177.945 176.000 -0.252 0.000 0.993 612 Q CA 2.021 57.629 55.803 -0.325 0.000 0.850 612 Q CB -0.270 28.189 28.738 -0.464 0.000 0.916 612 Q HN 0.242 nan 8.270 nan 0.000 0.417 613 F N 0.803 120.601 119.950 -0.254 0.000 2.087 613 F HA -0.290 4.237 4.527 -0.001 0.000 0.299 613 F C 2.831 178.468 175.800 -0.271 0.000 1.100 613 F CA 1.537 59.380 58.000 -0.261 0.000 1.226 613 F CB -1.440 37.425 39.000 -0.225 0.000 0.983 613 F HN 0.153 nan 8.300 nan 0.000 0.479 614 S N -0.110 115.566 115.700 -0.040 0.000 2.400 614 S HA -0.215 4.254 4.470 -0.001 0.000 0.232 614 S C 1.594 176.103 174.600 -0.152 0.000 1.025 614 S CA 1.217 59.346 58.200 -0.118 0.000 0.993 614 S CB -0.657 62.461 63.200 -0.137 0.000 0.808 614 S HN 0.469 nan 8.310 nan 0.000 0.478 615 K N 0.601 120.915 120.400 -0.144 0.000 2.504 615 K HA 0.317 4.637 4.320 -0.001 0.000 0.199 615 K C 0.010 176.523 176.600 -0.145 0.000 1.028 615 K CA -0.059 56.150 56.287 -0.130 0.000 1.164 615 K CB -0.072 32.365 32.500 -0.106 0.000 0.877 615 K HN 0.497 nan 8.250 nan 0.000 0.508 616 M N -0.691 118.764 119.600 -0.241 0.000 2.288 616 M HA 0.135 4.614 4.480 -0.001 0.000 0.334 616 M C 1.626 177.721 176.300 -0.340 0.000 1.150 616 M CA -0.209 54.906 55.300 -0.307 0.000 1.118 616 M CB 1.180 33.444 32.600 -0.560 0.000 1.501 616 M HN 0.175 nan 8.290 nan 0.000 0.462 617 G N 1.522 110.256 108.800 -0.110 0.000 2.485 617 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.221 617 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.221 617 G C 0.758 175.695 174.900 0.062 0.000 1.115 617 G CA 0.900 46.009 45.100 0.015 0.000 0.751 617 G HN 0.784 nan 8.290 nan 0.000 0.567 618 F N -0.325 119.716 119.950 0.151 0.000 2.639 618 F HA 0.650 5.176 4.527 -0.001 0.000 0.300 618 F C -0.195 175.767 175.800 0.270 0.000 1.109 618 F CA -1.272 56.872 58.000 0.240 0.000 1.335 618 F CB -0.094 39.155 39.000 0.415 0.000 1.014 618 F HN -0.179 nan 8.300 nan 0.000 0.537 619 V N 1.199 121.047 119.914 -0.110 0.000 2.581 619 V HA 0.232 4.351 4.120 -0.001 0.000 0.303 619 V C -0.779 175.290 176.094 -0.041 0.000 1.041 619 V CA -0.761 61.510 62.300 -0.049 0.000 0.907 619 V CB 1.777 33.486 31.823 -0.189 0.000 0.994 619 V HN 0.110 nan 8.190 nan 0.000 0.442 620 D N 3.048 123.427 120.400 -0.036 0.000 2.479 620 D HA 0.105 4.744 4.640 -0.001 0.000 0.218 620 D C 0.956 177.191 176.300 -0.109 0.000 1.131 620 D CA -0.487 53.465 54.000 -0.080 0.000 0.916 620 D CB 0.882 41.618 40.800 -0.107 0.000 1.022 620 D HN 0.678 nan 8.370 nan 0.000 0.515 621 D N 2.656 122.996 120.400 -0.100 0.000 2.403 621 D HA -0.186 4.454 4.640 -0.001 0.000 0.227 621 D C 0.949 177.191 176.300 -0.095 0.000 0.995 621 D CA 0.779 54.713 54.000 -0.110 0.000 0.928 621 D CB 0.040 40.775 40.800 -0.108 0.000 0.887 621 D HN 0.360 nan 8.370 nan 0.000 0.529 622 K N -0.553 119.796 120.400 -0.085 0.000 2.426 622 K HA 0.152 4.471 4.320 -0.001 0.000 0.193 622 K C 0.328 176.898 176.600 -0.051 0.000 1.028 622 K CA 0.075 56.327 56.287 -0.059 0.000 1.047 622 K CB 0.449 32.918 32.500 -0.051 0.000 0.821 622 K HN 0.007 nan 8.250 nan 0.000 0.513 623 R N 1.039 121.472 120.500 -0.111 0.000 2.629 623 R HA 0.355 4.695 4.340 -0.001 0.000 0.275 623 R C -1.166 175.028 176.300 -0.177 0.000 1.719 623 R CA -0.153 55.852 56.100 -0.159 0.000 1.472 623 R CB 0.899 30.932 30.300 -0.445 0.000 1.237 623 R HN -0.019 nan 8.270 nan 0.000 0.589 624 I N 1.531 122.155 120.570 0.090 0.000 2.436 624 I HA 0.568 4.737 4.170 -0.001 0.000 0.289 624 I C -0.268 176.110 176.117 0.435 0.000 1.010 624 I CA -0.695 60.695 61.300 0.149 0.000 1.098 624 I CB 1.994 39.906 38.000 -0.147 0.000 1.266 624 I HN 0.447 nan 8.210 nan 0.000 0.434 625 A N 7.255 130.457 122.820 0.637 0.000 2.387 625 A HA 0.908 5.227 4.320 -0.001 0.000 0.303 625 A C -1.233 176.750 177.584 0.665 0.000 1.145 625 A CA -0.637 51.776 52.037 0.626 0.000 0.801 625 A CB 2.193 21.403 19.000 0.349 0.000 1.342 625 A HN 0.712 nan 8.150 nan 0.000 0.440 626 I N 0.770 121.644 120.570 0.505 0.000 2.692 626 I HA 0.660 4.829 4.170 -0.001 0.000 0.293 626 I C -1.878 174.479 176.117 0.400 0.000 1.200 626 I CA -0.618 60.897 61.300 0.358 0.000 1.036 626 I CB 1.485 39.418 38.000 -0.112 0.000 1.258 626 I HN 0.926 nan 8.210 nan 0.000 0.421 627 W N 7.225 128.647 121.300 0.203 0.000 3.033 627 W HA 0.890 5.550 4.660 -0.001 0.000 0.336 627 W C -1.358 175.286 176.519 0.208 0.000 1.173 627 W CA -1.247 56.217 57.345 0.199 0.000 1.185 627 W CB 1.238 30.864 29.460 0.278 0.000 1.425 627 W HN 0.779 nan 8.180 nan 0.000 0.536 628 G N 0.938 109.657 108.800 -0.136 0.000 2.677 628 G HA2 0.513 4.472 3.960 -0.001 0.000 0.291 628 G HA3 0.513 4.472 3.960 -0.001 0.000 0.291 628 G C -2.787 172.007 174.900 -0.176 0.000 1.435 628 G CA -0.681 44.190 45.100 -0.383 0.000 0.826 628 G HN 0.592 nan 8.290 nan 0.000 0.491 629 W N 1.215 122.343 121.300 -0.286 0.000 2.702 629 W HA 0.616 5.276 4.660 -0.001 0.000 0.331 629 W C 0.671 177.198 176.519 0.014 0.000 1.049 629 W CA 0.175 57.450 57.345 -0.118 0.000 1.230 629 W CB 1.786 31.185 29.460 -0.102 0.000 1.408 629 W HN 1.128 nan 8.180 nan 0.000 0.492 630 S N 2.655 118.578 115.700 0.372 0.000 4.064 630 S HA -0.420 4.050 4.470 -0.001 0.000 0.625 630 S C 1.087 175.786 174.600 0.166 0.000 2.010 630 S CA 1.641 60.069 58.200 0.381 0.000 4.186 630 S CB -1.796 61.784 63.200 0.634 0.000 0.211 630 S HN 0.738 nan 8.310 nan 0.000 0.605 631 Y N 2.261 122.579 120.300 0.030 0.000 2.207 631 Y HA -0.010 4.540 4.550 -0.001 0.000 0.287 631 Y C 2.375 178.203 175.900 -0.119 0.000 1.156 631 Y CA 2.657 60.675 58.100 -0.137 0.000 1.182 631 Y CB -1.044 37.142 38.460 -0.455 0.000 0.979 631 Y HN 0.549 nan 8.280 nan 0.000 0.521 632 G N -1.103 107.733 108.800 0.059 0.000 2.479 632 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.220 632 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.220 632 G C 1.824 176.720 174.900 -0.006 0.000 1.115 632 G CA 0.792 45.928 45.100 0.059 0.000 0.757 632 G HN 0.584 nan 8.290 nan 0.000 0.560 633 G N -0.526 108.275 108.800 0.001 0.000 2.453 633 G HA2 -0.094 3.866 3.960 -0.001 0.000 0.215 633 G HA3 -0.094 3.866 3.960 -0.001 0.000 0.215 633 G C 1.533 176.409 174.900 -0.040 0.000 1.147 633 G CA 0.832 45.913 45.100 -0.032 0.000 0.802 633 G HN 0.378 nan 8.290 nan 0.000 0.535 634 Y N 1.569 121.720 120.300 -0.248 0.000 2.145 634 Y HA -0.105 4.444 4.550 -0.001 0.000 0.286 634 Y C 2.636 178.391 175.900 -0.242 0.000 1.145 634 Y CA 1.407 59.303 58.100 -0.341 0.000 1.148 634 Y CB -0.537 37.535 38.460 -0.645 0.000 0.981 634 Y HN 0.025 nan 8.280 nan 0.000 0.507 635 V N -0.150 119.547 119.914 -0.361 0.000 2.223 635 V HA -0.348 3.772 4.120 -0.001 0.000 0.244 635 V C 2.359 178.304 176.094 -0.248 0.000 1.045 635 V CA 2.603 64.702 62.300 -0.335 0.000 1.000 635 V CB -1.330 30.445 31.823 -0.081 0.000 0.635 635 V HN 0.478 nan 8.190 nan 0.000 0.445 636 T N 0.081 114.555 114.554 -0.134 0.000 2.653 636 T HA -0.284 4.066 4.350 -0.001 0.000 0.267 636 T C 2.039 176.683 174.700 -0.094 0.000 1.037 636 T CA 2.319 64.362 62.100 -0.095 0.000 1.159 636 T CB -0.374 68.505 68.868 0.019 0.000 0.859 636 T HN 0.501 nan 8.240 nan 0.000 0.449 637 S N 0.267 115.938 115.700 -0.047 0.000 2.423 637 S HA 0.064 4.533 4.470 -0.001 0.000 0.231 637 S C 2.021 176.554 174.600 -0.112 0.000 1.014 637 S CA 0.717 58.929 58.200 0.021 0.000 0.965 637 S CB -0.178 63.070 63.200 0.079 0.000 0.785 637 S HN 0.332 nan 8.310 nan 0.000 0.495 638 M N 0.591 120.022 119.600 -0.282 0.000 2.288 638 M HA 0.052 4.532 4.480 -0.001 0.000 0.266 638 M C 2.121 178.264 176.300 -0.262 0.000 1.072 638 M CA 0.845 55.956 55.300 -0.316 0.000 1.132 638 M CB -1.203 31.088 32.600 -0.515 0.000 1.386 638 M HN 0.163 nan 8.290 nan 0.000 0.432 639 V N 0.912 120.663 119.914 -0.272 0.000 2.261 639 V HA -0.254 3.866 4.120 -0.001 0.000 0.246 639 V C 2.504 178.411 176.094 -0.311 0.000 1.047 639 V CA 1.496 63.630 62.300 -0.277 0.000 1.015 639 V CB -0.638 30.935 31.823 -0.417 0.000 0.642 639 V HN 0.390 nan 8.190 nan 0.000 0.446 640 L N 0.329 121.326 121.223 -0.378 0.000 2.127 640 L HA -0.134 4.205 4.340 -0.001 0.000 0.211 640 L C 2.509 178.932 176.870 -0.745 0.000 1.089 640 L CA 1.624 56.182 54.840 -0.471 0.000 0.757 640 L CB -1.040 40.745 42.059 -0.457 0.000 0.899 640 L HN 0.506 nan 8.230 nan 0.000 0.434 641 G N -0.714 107.665 108.800 -0.702 0.000 2.448 641 G HA2 -0.126 3.834 3.960 -0.001 0.000 0.218 641 G HA3 -0.126 3.834 3.960 -0.001 0.000 0.218 641 G C 1.781 176.486 174.900 -0.325 0.000 1.135 641 G CA 0.673 45.397 45.100 -0.628 0.000 0.784 641 G HN 0.441 nan 8.290 nan 0.000 0.543 642 A N 0.486 123.167 122.820 -0.233 0.000 1.863 642 A HA 0.256 4.575 4.320 -0.001 0.000 0.218 642 A C 2.219 179.745 177.584 -0.098 0.000 1.233 642 A CA 2.527 54.490 52.037 -0.122 0.000 0.655 642 A CB -1.030 17.926 19.000 -0.074 0.000 0.839 642 A HN 1.797 nan 8.150 nan 0.000 0.454 643 G N -2.289 106.455 108.800 -0.093 0.000 2.151 643 G HA2 -0.079 3.881 3.960 -0.001 0.000 0.156 643 G HA3 -0.079 3.881 3.960 -0.001 0.000 0.156 643 G C 0.814 175.706 174.900 -0.014 0.000 1.017 643 G CA 1.014 46.078 45.100 -0.061 0.000 0.686 643 G HN 1.622 nan 8.290 nan 0.000 0.503 644 S N -0.301 115.410 115.700 0.018 0.000 2.515 644 S HA 0.334 4.803 4.470 -0.001 0.000 0.231 644 S C 2.374 176.993 174.600 0.031 0.000 0.987 644 S CA 1.451 59.676 58.200 0.041 0.000 0.936 644 S CB -0.108 63.153 63.200 0.101 0.000 0.766 644 S HN 2.324 nan 8.310 nan 0.000 0.528 645 G N 0.359 109.181 108.800 0.036 0.000 2.180 645 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.263 645 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.263 645 G C 0.657 175.561 174.900 0.006 0.000 0.989 645 G CA 0.517 45.631 45.100 0.022 0.000 0.692 645 G HN 0.684 nan 8.290 nan 0.000 0.526 646 V N -1.203 118.722 119.914 0.019 0.000 2.878 646 V HA 0.330 4.450 4.120 -0.001 0.000 0.250 646 V C 1.040 176.934 176.094 -0.333 0.000 1.075 646 V CA 1.119 63.318 62.300 -0.168 0.000 1.096 646 V CB -0.233 31.442 31.823 -0.247 0.000 0.724 646 V HN 0.281 nan 8.190 nan 0.000 0.467 647 F N -0.109 119.865 119.950 0.039 0.000 2.443 647 F HA 0.436 4.963 4.527 -0.001 0.000 0.335 647 F C 1.068 176.924 175.800 0.092 0.000 1.104 647 F CA -0.623 57.428 58.000 0.085 0.000 1.013 647 F CB 1.667 40.722 39.000 0.092 0.000 1.136 647 F HN -0.280 nan 8.300 nan 0.000 0.470 648 K N 1.312 121.881 120.400 0.281 0.000 2.099 648 K HA 0.126 4.446 4.320 -0.001 0.000 0.203 648 K C -0.066 176.686 176.600 0.253 0.000 1.047 648 K CA 0.879 57.298 56.287 0.220 0.000 0.963 648 K CB 0.287 32.911 32.500 0.207 0.000 0.759 648 K HN 0.786 nan 8.250 nan 0.000 0.451 649 c N -2.257 116.535 118.600 0.320 0.000 3.291 649 c HA 0.917 5.487 4.570 -0.001 0.000 0.316 649 c C -0.160 174.180 174.090 0.416 0.000 1.391 649 c CA -0.730 55.809 56.329 0.350 0.000 1.394 649 c CB 1.108 43.758 42.510 0.233 0.000 1.744 649 c HN 0.363 nan 8.230 nan 0.000 0.461 650 G N 0.126 109.224 108.800 0.497 0.000 2.720 650 G HA2 0.704 4.663 3.960 -0.001 0.000 0.295 650 G HA3 0.704 4.663 3.960 -0.001 0.000 0.295 650 G C -1.849 173.251 174.900 0.334 0.000 1.437 650 G CA -0.657 44.696 45.100 0.423 0.000 0.886 650 G HN 0.948 nan 8.290 nan 0.000 0.509 651 I N 0.896 121.620 120.570 0.258 0.000 2.465 651 I HA 0.630 4.799 4.170 -0.001 0.000 0.291 651 I C 0.192 176.378 176.117 0.114 0.000 1.014 651 I CA -0.983 60.334 61.300 0.029 0.000 1.093 651 I CB 2.265 40.305 38.000 0.068 0.000 1.267 651 I HN 0.625 nan 8.210 nan 0.000 0.431 652 A N 6.410 129.173 122.820 -0.096 0.000 2.304 652 A HA 0.772 5.092 4.320 -0.001 0.000 0.314 652 A C -0.837 176.607 177.584 -0.233 0.000 1.187 652 A CA -0.500 51.498 52.037 -0.065 0.000 0.810 652 A CB 1.198 20.219 19.000 0.035 0.000 1.183 652 A HN 0.441 nan 8.150 nan 0.000 0.487 653 V N 2.196 121.912 119.914 -0.330 0.000 2.378 653 V HA 0.569 4.688 4.120 -0.001 0.000 0.288 653 V C 0.879 176.447 176.094 -0.877 0.000 1.016 653 V CA 0.358 62.214 62.300 -0.740 0.000 0.840 653 V CB 0.713 31.821 31.823 -1.192 0.000 0.994 653 V HN 2.141 nan 8.190 nan 0.000 0.431 654 A N 5.586 127.906 122.820 -0.833 0.000 2.640 654 A HA -0.101 4.219 4.320 -0.001 0.000 0.300 654 A C -1.634 175.735 177.584 -0.359 0.000 1.499 654 A CA 0.594 52.068 52.037 -0.938 0.000 0.759 654 A CB -1.593 16.960 19.000 -0.743 0.000 1.048 654 A HN 0.618 nan 8.150 nan 0.000 0.450 655 P HA 0.465 nan 4.420 nan 0.000 0.276 655 P C 0.271 177.507 177.300 -0.107 0.000 1.244 655 P CA -0.233 62.798 63.100 -0.114 0.000 0.801 655 P CB 1.337 32.992 31.700 -0.074 0.000 1.006 656 V N 1.551 121.319 119.914 -0.242 0.000 2.953 656 V HA 0.170 4.290 4.120 -0.001 0.000 0.304 656 V C 1.646 177.541 176.094 -0.331 0.000 1.073 656 V CA 0.925 62.959 62.300 -0.442 0.000 1.064 656 V CB 0.988 32.169 31.823 -1.070 0.000 1.047 656 V HN 0.892 nan 8.190 nan 0.000 0.478 657 S N 1.501 117.023 115.700 -0.297 0.000 2.691 657 S HA 0.283 4.753 4.470 -0.001 0.000 0.258 657 S C 0.251 174.697 174.600 -0.256 0.000 1.078 657 S CA -0.205 57.901 58.200 -0.157 0.000 1.000 657 S CB 0.245 63.424 63.200 -0.035 0.000 0.942 657 S HN 0.643 nan 8.310 nan 0.000 0.521 658 K N -0.048 120.104 120.400 -0.413 0.000 2.695 658 K HA 0.328 4.648 4.320 -0.001 0.000 0.255 658 K C -0.779 175.530 176.600 -0.486 0.000 1.016 658 K CA -0.675 55.317 56.287 -0.492 0.000 0.928 658 K CB 0.357 32.425 32.500 -0.720 0.000 1.235 658 K HN 0.170 nan 8.250 nan 0.000 0.467 659 W N 2.134 123.359 121.300 -0.126 0.000 2.296 659 W HA -0.227 4.433 4.660 -0.001 0.000 0.296 659 W C 1.146 177.762 176.519 0.163 0.000 1.220 659 W CA 1.097 58.474 57.345 0.054 0.000 1.223 659 W CB 0.090 29.614 29.460 0.108 0.000 1.139 659 W HN 0.733 nan 8.180 nan 0.000 0.534 660 E N -1.310 118.999 120.200 0.182 0.000 2.463 660 E HA -0.187 4.162 4.350 -0.001 0.000 0.201 660 E C 1.230 177.949 176.600 0.198 0.000 1.045 660 E CA 0.939 57.382 56.400 0.072 0.000 0.872 660 E CB -0.379 29.254 29.700 -0.112 0.000 0.797 660 E HN 0.404 nan 8.360 nan 0.000 0.538 661 Y N -1.877 118.520 120.300 0.161 0.000 2.509 661 Y HA 0.128 4.677 4.550 -0.001 0.000 0.270 661 Y C 0.687 176.704 175.900 0.195 0.000 1.103 661 Y CA -0.609 57.562 58.100 0.119 0.000 1.278 661 Y CB -0.424 38.053 38.460 0.028 0.000 1.087 661 Y HN 0.018 nan 8.280 nan 0.000 0.542 662 Y N 2.349 122.815 120.300 0.276 0.000 2.289 662 Y HA 0.244 4.794 4.550 -0.001 0.000 0.332 662 Y C 0.463 176.551 175.900 0.314 0.000 1.324 662 Y CA -1.732 56.529 58.100 0.268 0.000 1.478 662 Y CB 0.221 38.876 38.460 0.325 0.000 1.378 662 Y HN 0.223 nan 8.280 nan 0.000 0.558 663 D N -0.678 119.323 120.400 -0.664 0.000 2.357 663 D HA 0.098 4.738 4.640 -0.001 0.000 0.242 663 D C 0.948 177.181 176.300 -0.113 0.000 1.153 663 D CA 0.339 54.048 54.000 -0.485 0.000 0.918 663 D CB 0.865 41.189 40.800 -0.794 0.000 1.181 663 D HN 0.461 nan 8.370 nan 0.000 0.435 664 S N 0.999 116.659 115.700 -0.067 0.000 2.368 664 S HA -0.203 4.267 4.470 -0.001 0.000 0.225 664 S C 1.900 176.526 174.600 0.043 0.000 1.030 664 S CA 1.077 59.306 58.200 0.047 0.000 0.999 664 S CB -0.927 62.313 63.200 0.066 0.000 0.844 664 S HN 0.419 nan 8.310 nan 0.000 0.459 665 V N 0.829 120.702 119.914 -0.068 0.000 2.255 665 V HA -0.182 3.938 4.120 -0.001 0.000 0.247 665 V C 2.329 178.383 176.094 -0.067 0.000 1.051 665 V CA 2.308 64.493 62.300 -0.192 0.000 1.018 665 V CB -1.063 30.495 31.823 -0.442 0.000 0.641 665 V HN 0.631 nan 8.190 nan 0.000 0.445 666 Y N 1.194 121.468 120.300 -0.044 0.000 2.153 666 Y HA -0.187 4.363 4.550 -0.001 0.000 0.289 666 Y C 2.707 178.701 175.900 0.155 0.000 1.127 666 Y CA 2.187 60.364 58.100 0.127 0.000 1.131 666 Y CB -0.666 38.033 38.460 0.398 0.000 0.995 666 Y HN 0.218 nan 8.280 nan 0.000 0.505 667 T N 0.588 115.450 114.554 0.514 0.000 2.708 667 T HA -0.197 4.152 4.350 -0.001 0.000 0.266 667 T C 1.550 176.278 174.700 0.046 0.000 1.037 667 T CA 1.946 64.243 62.100 0.328 0.000 1.146 667 T CB -0.308 68.851 68.868 0.486 0.000 0.865 667 T HN 0.454 nan 8.240 nan 0.000 0.435 668 E N 0.559 120.799 120.200 0.066 0.000 2.268 668 E HA -0.104 4.246 4.350 -0.001 0.000 0.195 668 E C 2.292 178.795 176.600 -0.161 0.000 0.995 668 E CA 0.465 56.874 56.400 0.015 0.000 0.836 668 E CB -0.116 29.628 29.700 0.073 0.000 0.763 668 E HN 0.341 nan 8.360 nan 0.000 0.491 669 R N 0.048 120.321 120.500 -0.378 0.000 2.148 669 R HA -0.137 4.202 4.340 -0.001 0.000 0.227 669 R C 0.926 176.642 176.300 -0.973 0.000 1.103 669 R CA 1.312 56.971 56.100 -0.734 0.000 0.983 669 R CB 0.126 29.712 30.300 -1.191 0.000 0.874 669 R HN 0.215 nan 8.270 nan 0.000 0.451 670 Y N -2.629 117.336 120.300 -0.558 0.000 2.426 670 Y HA 0.280 4.830 4.550 -0.001 0.000 0.249 670 Y C 1.370 177.018 175.900 -0.420 0.000 1.103 670 Y CA -0.330 57.411 58.100 -0.598 0.000 1.256 670 Y CB 0.712 38.656 38.460 -0.861 0.000 1.208 670 Y HN -0.045 nan 8.280 nan 0.000 0.519 671 M N -0.450 118.998 119.600 -0.253 0.000 2.304 671 M HA 0.404 4.883 4.480 -0.001 0.000 0.281 671 M C 1.084 177.321 176.300 -0.106 0.000 1.014 671 M CA 0.803 55.918 55.300 -0.308 0.000 1.054 671 M CB -0.078 32.152 32.600 -0.616 0.000 1.551 671 M HN 0.306 nan 8.290 nan 0.000 0.548 672 G N 1.726 110.513 108.800 -0.022 0.000 2.645 672 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.239 672 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.239 672 G C -0.665 174.347 174.900 0.187 0.000 1.331 672 G CA -0.882 44.253 45.100 0.058 0.000 0.890 672 G HN 0.204 nan 8.290 nan 0.000 0.572 673 L N 1.996 123.318 121.223 0.165 0.000 2.357 673 L HA 0.438 4.777 4.340 -0.001 0.000 0.273 673 L C -1.210 175.760 176.870 0.166 0.000 1.080 673 L CA -1.810 53.117 54.840 0.145 0.000 0.803 673 L CB 0.938 43.033 42.059 0.060 0.000 1.174 673 L HN 0.475 nan 8.230 nan 0.000 0.443 674 P HA 0.049 nan 4.420 nan 0.000 0.237 674 P C -0.311 176.908 177.300 -0.136 0.000 1.723 674 P CA -0.058 62.792 63.100 -0.417 0.000 0.882 674 P CB -0.513 30.580 31.700 -1.011 0.000 1.810 675 T N -3.338 111.213 114.554 -0.004 0.000 2.912 675 T HA 0.413 4.762 4.350 -0.001 0.000 0.288 675 T C -1.838 172.888 174.700 0.044 0.000 1.030 675 T CA -2.472 59.633 62.100 0.008 0.000 1.020 675 T CB 1.924 70.797 68.868 0.009 0.000 1.056 675 T HN -0.205 nan 8.240 nan 0.000 0.480 676 P HA -0.175 nan 4.420 nan 0.000 0.220 676 P C 1.031 178.361 177.300 0.050 0.000 1.144 676 P CA 1.189 64.316 63.100 0.046 0.000 0.800 676 P CB 0.212 31.930 31.700 0.031 0.000 0.772 677 E N -1.190 119.034 120.200 0.041 0.000 2.385 677 E HA -0.045 4.304 4.350 -0.001 0.000 0.194 677 E C 1.181 177.810 176.600 0.047 0.000 1.013 677 E CA 0.451 56.874 56.400 0.038 0.000 0.866 677 E CB -0.249 29.466 29.700 0.026 0.000 0.832 677 E HN 0.222 nan 8.360 nan 0.000 0.500 678 D N 1.220 121.658 120.400 0.063 0.000 3.013 678 D HA 0.046 4.686 4.640 -0.001 0.000 0.256 678 D C 0.666 177.029 176.300 0.105 0.000 1.573 678 D CA 0.188 54.232 54.000 0.073 0.000 1.197 678 D CB 0.102 40.949 40.800 0.079 0.000 1.041 678 D HN 0.090 nan 8.370 nan 0.000 0.304 679 N N -0.047 118.756 118.700 0.171 0.000 2.217 679 N HA -0.005 4.734 4.740 -0.001 0.000 0.239 679 N C 1.362 177.101 175.510 0.383 0.000 1.330 679 N CA -0.066 53.122 53.050 0.230 0.000 0.838 679 N CB 0.973 39.555 38.487 0.159 0.000 1.287 679 N HN -0.019 nan 8.380 nan 0.000 0.498 680 L N 1.355 122.758 121.223 0.299 0.000 2.197 680 L HA -0.154 4.185 4.340 -0.001 0.000 0.215 680 L C 1.203 178.223 176.870 0.251 0.000 1.095 680 L CA 1.957 56.954 54.840 0.261 0.000 0.764 680 L CB -0.344 41.772 42.059 0.095 0.000 0.897 680 L HN 0.117 nan 8.230 nan 0.000 0.436 681 D N -1.619 118.907 120.400 0.210 0.000 2.183 681 D HA -0.166 4.474 4.640 -0.001 0.000 0.203 681 D C 1.851 178.172 176.300 0.034 0.000 0.969 681 D CA 1.315 55.379 54.000 0.107 0.000 0.842 681 D CB -0.164 40.679 40.800 0.071 0.000 0.957 681 D HN 0.455 nan 8.370 nan 0.000 0.484 682 Y N -0.801 119.543 120.300 0.072 0.000 2.544 682 Y HA -0.031 4.518 4.550 -0.001 0.000 0.286 682 Y C 1.673 177.587 175.900 0.023 0.000 1.141 682 Y CA 0.297 58.401 58.100 0.008 0.000 1.299 682 Y CB -0.153 38.261 38.460 -0.077 0.000 1.030 682 Y HN 0.019 nan 8.280 nan 0.000 0.543 683 Y N -0.337 120.053 120.300 0.150 0.000 2.153 683 Y HA -0.140 4.410 4.550 -0.001 0.000 0.289 683 Y C 2.380 178.329 175.900 0.082 0.000 1.119 683 Y CA 1.141 59.323 58.100 0.135 0.000 1.116 683 Y CB -0.158 38.364 38.460 0.102 0.000 1.004 683 Y HN -0.206 nan 8.280 nan 0.000 0.501 684 R N 0.746 121.380 120.500 0.225 0.000 2.139 684 R HA -0.163 4.177 4.340 -0.001 0.000 0.243 684 R C 1.242 177.572 176.300 0.050 0.000 1.145 684 R CA 1.502 57.660 56.100 0.096 0.000 0.976 684 R CB -1.173 29.160 30.300 0.055 0.000 0.866 684 R HN 0.507 nan 8.270 nan 0.000 0.449 685 N N -0.044 118.668 118.700 0.020 0.000 2.235 685 N HA -0.037 4.702 4.740 -0.001 0.000 0.209 685 N C -0.001 175.524 175.510 0.025 0.000 1.122 685 N CA 0.385 53.422 53.050 -0.021 0.000 0.845 685 N CB 0.392 38.807 38.487 -0.120 0.000 1.004 685 N HN 0.056 nan 8.380 nan 0.000 0.499 686 S N -1.497 114.268 115.700 0.109 0.000 2.663 686 S HA 0.094 4.564 4.470 -0.001 0.000 0.243 686 S C 0.468 175.212 174.600 0.240 0.000 1.009 686 S CA -0.412 57.910 58.200 0.203 0.000 0.988 686 S CB -0.630 62.759 63.200 0.315 0.000 0.896 686 S HN 0.316 nan 8.310 nan 0.000 0.502 687 T N -0.622 114.003 114.554 0.119 0.000 2.910 687 T HA 0.478 4.828 4.350 -0.001 0.000 0.293 687 T C 1.401 176.136 174.700 0.058 0.000 1.015 687 T CA -0.518 61.615 62.100 0.054 0.000 1.094 687 T CB 1.263 70.119 68.868 -0.020 0.000 0.968 687 T HN -0.037 nan 8.240 nan 0.000 0.521 688 V N 2.298 122.240 119.914 0.047 0.000 2.427 688 V HA -0.149 3.970 4.120 -0.001 0.000 0.248 688 V C 2.584 178.674 176.094 -0.006 0.000 1.051 688 V CA 1.675 63.986 62.300 0.018 0.000 1.048 688 V CB -1.001 30.816 31.823 -0.011 0.000 0.666 688 V HN 0.839 nan 8.190 nan 0.000 0.456 689 M N 1.243 120.817 119.600 -0.043 0.000 2.346 689 M HA -0.128 4.351 4.480 -0.001 0.000 0.263 689 M C 2.155 178.441 176.300 -0.024 0.000 1.064 689 M CA 1.799 57.063 55.300 -0.061 0.000 1.083 689 M CB -0.946 31.624 32.600 -0.051 0.000 1.399 689 M HN 0.523 nan 8.290 nan 0.000 0.435 690 S N -0.227 115.472 115.700 -0.002 0.000 2.561 690 S HA 0.012 4.481 4.470 -0.001 0.000 0.225 690 S C 1.388 175.997 174.600 0.015 0.000 0.977 690 S CA 0.228 58.431 58.200 0.004 0.000 0.926 690 S CB -0.246 62.957 63.200 0.005 0.000 0.769 690 S HN 0.552 nan 8.310 nan 0.000 0.533 691 R N 0.355 120.881 120.500 0.042 0.000 2.767 691 R HA 0.511 4.851 4.340 -0.001 0.000 0.377 691 R C 1.500 177.907 176.300 0.178 0.000 1.151 691 R CA 0.339 56.480 56.100 0.069 0.000 1.046 691 R CB 0.155 30.477 30.300 0.038 0.000 1.404 691 R HN 0.384 nan 8.270 nan 0.000 0.580 692 A N 1.492 124.378 122.820 0.109 0.000 1.845 692 A HA -0.218 4.102 4.320 -0.001 0.000 0.215 692 A C 1.677 179.360 177.584 0.165 0.000 1.195 692 A CA 1.444 53.544 52.037 0.105 0.000 0.616 692 A CB -0.143 18.832 19.000 -0.041 0.000 0.832 692 A HN 0.233 nan 8.150 nan 0.000 0.443 693 E N 0.669 120.916 120.200 0.079 0.000 2.108 693 E HA -0.230 4.119 4.350 -0.001 0.000 0.203 693 E C 1.676 178.312 176.600 0.060 0.000 1.022 693 E CA 1.853 58.288 56.400 0.059 0.000 0.823 693 E CB -0.570 29.148 29.700 0.030 0.000 0.744 693 E HN 0.765 nan 8.360 nan 0.000 0.456 694 N N -0.732 117.985 118.700 0.029 0.000 2.443 694 N HA -0.115 4.625 4.740 -0.001 0.000 0.184 694 N C 1.083 176.517 175.510 -0.127 0.000 1.037 694 N CA 0.327 53.338 53.050 -0.066 0.000 0.896 694 N CB -0.168 38.227 38.487 -0.152 0.000 0.959 694 N HN 0.134 nan 8.380 nan 0.000 0.442 695 F N 1.784 121.679 119.950 -0.092 0.000 2.451 695 F HA -0.002 4.525 4.527 -0.001 0.000 0.299 695 F C 2.051 177.844 175.800 -0.013 0.000 1.101 695 F CA 0.740 58.678 58.000 -0.104 0.000 1.436 695 F CB -0.023 38.850 39.000 -0.212 0.000 1.074 695 F HN -0.100 nan 8.300 nan 0.000 0.553 696 K N 0.051 120.534 120.400 0.138 0.000 2.281 696 K HA -0.218 4.102 4.320 -0.001 0.000 0.203 696 K C 1.531 178.185 176.600 0.090 0.000 1.046 696 K CA 1.282 57.639 56.287 0.117 0.000 0.938 696 K CB -0.303 32.246 32.500 0.082 0.000 0.737 696 K HN 0.447 nan 8.250 nan 0.000 0.458 697 Q N 0.495 120.324 119.800 0.049 0.000 2.403 697 Q HA 0.023 4.362 4.340 -0.001 0.000 0.203 697 Q C 0.384 176.424 176.000 0.068 0.000 0.932 697 Q CA 0.135 55.964 55.803 0.042 0.000 0.945 697 Q CB 0.450 29.193 28.738 0.007 0.000 1.045 697 Q HN 0.158 nan 8.270 nan 0.000 0.511 698 V N -3.348 116.627 119.914 0.101 0.000 3.130 698 V HA 0.456 4.576 4.120 -0.001 0.000 0.310 698 V C -1.335 174.912 176.094 0.255 0.000 1.158 698 V CA -1.346 61.049 62.300 0.158 0.000 1.029 698 V CB 2.303 34.204 31.823 0.130 0.000 1.057 698 V HN -0.021 nan 8.190 nan 0.000 0.436 699 E N 1.510 121.887 120.200 0.296 0.000 2.200 699 E HA 0.501 4.850 4.350 -0.001 0.000 0.283 699 E C -1.808 175.172 176.600 0.632 0.000 1.015 699 E CA -0.301 56.335 56.400 0.393 0.000 0.819 699 E CB 1.776 31.614 29.700 0.230 0.000 1.081 699 E HN 0.723 nan 8.360 nan 0.000 0.397 700 Y N 3.258 123.842 120.300 0.473 0.000 2.386 700 Y HA 0.343 4.892 4.550 -0.001 0.000 0.334 700 Y C -1.681 174.295 175.900 0.128 0.000 1.002 700 Y CA -0.898 57.414 58.100 0.353 0.000 1.068 700 Y CB 0.995 39.684 38.460 0.382 0.000 1.203 700 Y HN 0.460 nan 8.280 nan 0.000 0.443 701 L N 7.936 128.742 121.223 -0.695 0.000 2.265 701 L HA 0.449 4.789 4.340 -0.001 0.000 0.289 701 L C -1.334 174.975 176.870 -0.935 0.000 1.033 701 L CA -0.764 53.544 54.840 -0.887 0.000 0.814 701 L CB 1.019 42.319 42.059 -1.266 0.000 1.203 701 L HN 0.687 nan 8.230 nan 0.000 0.423 702 L N 6.977 127.801 121.223 -0.664 0.000 2.277 702 L HA 0.521 4.860 4.340 -0.001 0.000 0.284 702 L C -0.609 176.110 176.870 -0.252 0.000 1.028 702 L CA -0.396 54.164 54.840 -0.467 0.000 0.835 702 L CB 1.242 43.196 42.059 -0.176 0.000 1.215 702 L HN 0.585 nan 8.230 nan 0.000 0.425 703 I N 3.884 124.298 120.570 -0.259 0.000 2.493 703 I HA 0.489 4.658 4.170 -0.001 0.000 0.298 703 I C -0.658 175.395 176.117 -0.107 0.000 0.998 703 I CA -0.754 60.439 61.300 -0.179 0.000 1.137 703 I CB 1.910 39.776 38.000 -0.224 0.000 1.310 703 I HN 0.498 nan 8.210 nan 0.000 0.445 704 H N 2.612 121.680 119.070 -0.004 0.000 3.085 704 H HA 0.390 4.946 4.556 -0.001 0.000 0.356 704 H C -0.764 174.753 175.328 0.314 0.000 1.178 704 H CA -0.614 55.492 56.048 0.097 0.000 1.214 704 H CB 2.348 32.124 29.762 0.024 0.000 1.881 704 H HN 0.756 nan 8.280 nan 0.000 0.538 705 G N 0.736 109.931 108.800 0.659 0.000 2.415 705 G HA2 0.268 4.228 3.960 -0.001 0.000 0.269 705 G HA3 0.268 4.228 3.960 -0.001 0.000 0.269 705 G C 1.034 176.159 174.900 0.374 0.000 1.209 705 G CA 0.188 45.568 45.100 0.466 0.000 0.835 705 G HN 0.640 nan 8.290 nan 0.000 0.534 706 T N -1.182 113.422 114.554 0.083 0.000 3.055 706 T HA 0.190 4.540 4.350 -0.001 0.000 0.265 706 T C 1.492 176.053 174.700 -0.232 0.000 1.111 706 T CA 1.076 63.002 62.100 -0.289 0.000 1.118 706 T CB 0.262 68.890 68.868 -0.400 0.000 0.909 706 T HN 0.722 nan 8.240 nan 0.000 0.501 707 A N 1.093 123.861 122.820 -0.088 0.000 2.827 707 A HA 0.341 4.661 4.320 -0.001 0.000 0.300 707 A C 0.150 177.650 177.584 -0.140 0.000 1.237 707 A CA -0.567 51.364 52.037 -0.176 0.000 0.964 707 A CB -0.190 18.965 19.000 0.258 0.000 1.143 707 A HN 0.355 nan 8.150 nan 0.000 0.554 708 D N 1.433 121.772 120.400 -0.103 0.000 2.336 708 D HA 0.029 4.669 4.640 -0.001 0.000 0.249 708 D C 0.205 176.508 176.300 0.005 0.000 1.213 708 D CA 0.074 54.167 54.000 0.154 0.000 0.870 708 D CB 0.829 41.895 40.800 0.444 0.000 1.076 708 D HN 0.572 nan 8.370 nan 0.000 0.483 709 D N 2.475 122.946 120.400 0.118 0.000 2.333 709 D HA -0.137 4.503 4.640 -0.001 0.000 0.208 709 D C 1.045 177.355 176.300 0.017 0.000 0.984 709 D CA -0.076 53.957 54.000 0.055 0.000 0.873 709 D CB 0.406 41.221 40.800 0.024 0.000 0.935 709 D HN 0.218 nan 8.370 nan 0.000 0.521 710 N N 1.079 119.886 118.700 0.178 0.000 2.187 710 N HA -0.074 4.665 4.740 -0.001 0.000 0.190 710 N C 0.048 175.526 175.510 -0.053 0.000 1.052 710 N CA 0.675 53.843 53.050 0.198 0.000 0.863 710 N CB 0.101 38.648 38.487 0.100 0.000 1.041 710 N HN -0.098 nan 8.380 nan 0.000 0.447 711 V N 2.914 122.803 119.914 -0.043 0.000 2.270 711 V HA 0.187 4.307 4.120 -0.001 0.000 0.263 711 V C -0.523 175.654 176.094 0.139 0.000 1.066 711 V CA -0.419 61.906 62.300 0.043 0.000 0.857 711 V CB -0.659 31.278 31.823 0.189 0.000 1.099 711 V HN 0.319 nan 8.190 nan 0.000 0.476 712 H N 3.081 122.136 119.070 -0.025 0.000 3.038 712 H HA -0.073 4.483 4.556 -0.001 0.000 0.338 712 H C 0.869 176.046 175.328 -0.253 0.000 1.041 712 H CA 0.075 56.022 56.048 -0.168 0.000 1.394 712 H CB 0.717 30.308 29.762 -0.285 0.000 1.357 712 H HN 0.615 nan 8.280 nan 0.000 0.600 713 F N 2.093 121.788 119.950 -0.425 0.000 2.236 713 F HA -0.287 4.240 4.527 -0.001 0.000 0.302 713 F C 2.585 178.140 175.800 -0.408 0.000 1.073 713 F CA 1.724 59.297 58.000 -0.712 0.000 1.336 713 F CB -0.185 38.550 39.000 -0.442 0.000 1.040 713 F HN 0.668 nan 8.300 nan 0.000 0.507 714 Q N 0.257 119.946 119.800 -0.185 0.000 2.173 714 Q HA -0.306 4.034 4.340 -0.001 0.000 0.208 714 Q C 1.986 177.779 176.000 -0.345 0.000 0.989 714 Q CA 2.198 57.845 55.803 -0.260 0.000 0.872 714 Q CB -0.446 28.109 28.738 -0.305 0.000 0.909 714 Q HN 0.602 nan 8.270 nan 0.000 0.420 715 Q N -0.226 119.411 119.800 -0.272 0.000 2.084 715 Q HA -0.102 4.238 4.340 -0.001 0.000 0.202 715 Q C 2.195 178.123 176.000 -0.120 0.000 0.978 715 Q CA 1.669 57.418 55.803 -0.090 0.000 0.844 715 Q CB 0.014 28.778 28.738 0.042 0.000 0.898 715 Q HN 0.338 nan 8.270 nan 0.000 0.426 716 S N 0.270 115.815 115.700 -0.259 0.000 2.446 716 S HA 0.046 4.516 4.470 -0.001 0.000 0.225 716 S C 1.901 176.278 174.600 -0.371 0.000 1.016 716 S CA 0.611 58.652 58.200 -0.266 0.000 0.943 716 S CB 0.085 63.125 63.200 -0.266 0.000 0.786 716 S HN 0.433 nan 8.310 nan 0.000 0.508 717 A N 1.086 123.600 122.820 -0.510 0.000 1.929 717 A HA -0.022 4.298 4.320 -0.001 0.000 0.216 717 A C 2.077 179.569 177.584 -0.152 0.000 1.176 717 A CA 0.842 52.682 52.037 -0.329 0.000 0.628 717 A CB -0.283 18.569 19.000 -0.246 0.000 0.816 717 A HN 0.313 nan 8.150 nan 0.000 0.444 718 Q N -1.047 118.672 119.800 -0.135 0.000 2.311 718 Q HA -0.028 4.312 4.340 -0.001 0.000 0.203 718 Q C 1.945 177.915 176.000 -0.051 0.000 0.954 718 Q CA 0.875 56.650 55.803 -0.047 0.000 0.885 718 Q CB -0.177 28.590 28.738 0.047 0.000 0.963 718 Q HN 0.599 nan 8.270 nan 0.000 0.471 719 L N 0.776 121.943 121.223 -0.093 0.000 2.068 719 L HA -0.089 4.250 4.340 -0.001 0.000 0.204 719 L C 2.300 179.042 176.870 -0.213 0.000 1.076 719 L CA 2.031 56.779 54.840 -0.153 0.000 0.753 719 L CB -0.888 41.077 42.059 -0.158 0.000 0.910 719 L HN 0.141 nan 8.230 nan 0.000 0.439 720 S N -0.269 115.354 115.700 -0.129 0.000 2.359 720 S HA -0.336 4.134 4.470 -0.001 0.000 0.224 720 S C 2.104 176.712 174.600 0.013 0.000 1.035 720 S CA 1.650 59.850 58.200 -0.000 0.000 1.018 720 S CB -0.871 62.442 63.200 0.188 0.000 0.876 720 S HN 0.570 nan 8.310 nan 0.000 0.448 721 K N 1.850 122.248 120.400 -0.004 0.000 2.280 721 K HA 0.021 4.341 4.320 -0.001 0.000 0.202 721 K C 2.058 178.641 176.600 -0.028 0.000 1.047 721 K CA 0.967 57.258 56.287 0.006 0.000 0.942 721 K CB -0.518 31.982 32.500 -0.001 0.000 0.739 721 K HN 0.472 nan 8.250 nan 0.000 0.457 722 A N 1.268 124.035 122.820 -0.089 0.000 1.843 722 A HA -0.037 4.282 4.320 -0.001 0.000 0.213 722 A C 2.044 179.545 177.584 -0.138 0.000 1.202 722 A CA 1.039 53.012 52.037 -0.106 0.000 0.607 722 A CB -0.633 18.284 19.000 -0.139 0.000 0.847 722 A HN 0.279 nan 8.150 nan 0.000 0.445 723 L N -0.200 120.854 121.223 -0.282 0.000 2.013 723 L HA -0.207 4.132 4.340 -0.001 0.000 0.212 723 L C 2.487 179.318 176.870 -0.066 0.000 1.073 723 L CA 1.337 55.976 54.840 -0.335 0.000 0.753 723 L CB -0.859 40.660 42.059 -0.900 0.000 0.890 723 L HN 0.231 nan 8.230 nan 0.000 0.432 724 V N -0.243 119.700 119.914 0.048 0.000 2.407 724 V HA -0.280 3.839 4.120 -0.001 0.000 0.248 724 V C 2.106 178.239 176.094 0.065 0.000 1.055 724 V CA 1.858 64.242 62.300 0.139 0.000 1.049 724 V CB -0.523 31.393 31.823 0.154 0.000 0.662 724 V HN 0.432 nan 8.190 nan 0.000 0.455 725 D N 0.412 120.827 120.400 0.024 0.000 2.178 725 D HA -0.042 4.597 4.640 -0.001 0.000 0.202 725 D C 1.761 178.071 176.300 0.016 0.000 0.974 725 D CA 1.472 55.482 54.000 0.016 0.000 0.841 725 D CB -0.075 40.726 40.800 0.001 0.000 0.953 725 D HN 0.478 nan 8.370 nan 0.000 0.478 726 A N -0.366 122.459 122.820 0.008 0.000 2.462 726 A HA 0.478 4.797 4.320 -0.001 0.000 0.261 726 A C 1.511 179.118 177.584 0.038 0.000 1.323 726 A CA 0.538 52.584 52.037 0.015 0.000 0.913 726 A CB -0.383 18.617 19.000 0.000 0.000 1.028 726 A HN 0.149 nan 8.150 nan 0.000 0.511 727 G N -0.707 108.125 108.800 0.053 0.000 2.258 727 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.274 727 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.274 727 G C 0.251 175.213 174.900 0.104 0.000 1.021 727 G CA 0.554 45.699 45.100 0.075 0.000 0.798 727 G HN 0.726 nan 8.290 nan 0.000 0.507 728 V N 0.196 120.183 119.914 0.122 0.000 2.607 728 V HA 0.473 4.592 4.120 -0.001 0.000 0.289 728 V C 0.385 176.672 176.094 0.322 0.000 1.053 728 V CA -0.278 62.126 62.300 0.175 0.000 0.996 728 V CB 1.818 33.709 31.823 0.113 0.000 0.995 728 V HN 0.401 nan 8.190 nan 0.000 0.476 729 D N 3.540 124.121 120.400 0.301 0.000 2.168 729 D HA 0.635 5.275 4.640 -0.001 0.000 0.246 729 D C -0.775 175.791 176.300 0.442 0.000 1.050 729 D CA -0.082 54.095 54.000 0.295 0.000 0.857 729 D CB 0.992 41.885 40.800 0.154 0.000 1.169 729 D HN 0.312 nan 8.370 nan 0.000 0.453 730 F N -0.192 119.830 119.950 0.121 0.000 2.741 730 F HA 0.464 4.991 4.527 -0.001 0.000 0.313 730 F C -1.283 174.582 175.800 0.108 0.000 1.153 730 F CA -1.108 56.996 58.000 0.173 0.000 0.931 730 F CB 0.733 39.876 39.000 0.239 0.000 1.335 730 F HN 0.181 nan 8.300 nan 0.000 0.460 731 Q N 0.771 120.594 119.800 0.039 0.000 2.245 731 Q HA 0.674 5.013 4.340 -0.001 0.000 0.256 731 Q C -1.025 174.875 176.000 -0.165 0.000 0.942 731 Q CA -0.828 54.892 55.803 -0.138 0.000 0.896 731 Q CB 2.213 30.939 28.738 -0.020 0.000 1.272 731 Q HN 0.787 nan 8.270 nan 0.000 0.442 732 T N 1.782 116.207 114.554 -0.215 0.000 2.908 732 T HA 0.694 5.044 4.350 -0.001 0.000 0.290 732 T C -1.430 173.143 174.700 -0.212 0.000 1.034 732 T CA -0.581 61.432 62.100 -0.145 0.000 1.010 732 T CB 1.043 69.854 68.868 -0.096 0.000 1.068 732 T HN 0.485 nan 8.240 nan 0.000 0.481 733 M N 3.771 123.236 119.600 -0.223 0.000 2.272 733 M HA 0.439 4.919 4.480 -0.001 0.000 0.240 733 M C -2.188 173.906 176.300 -0.342 0.000 0.991 733 M CA -0.641 54.383 55.300 -0.460 0.000 1.008 733 M CB 0.867 33.109 32.600 -0.595 0.000 2.221 733 M HN 0.699 nan 8.290 nan 0.000 0.469 734 W N 4.483 125.600 121.300 -0.306 0.000 2.449 734 W HA 0.748 5.408 4.660 -0.001 0.000 0.331 734 W C -1.974 174.280 176.519 -0.441 0.000 1.119 734 W CA -0.815 56.437 57.345 -0.156 0.000 1.240 734 W CB 0.286 29.725 29.460 -0.035 0.000 1.251 734 W HN 0.594 nan 8.180 nan 0.000 0.576 735 Y N 2.820 123.260 120.300 0.234 0.000 2.464 735 Y HA 0.292 4.842 4.550 -0.001 0.000 0.326 735 Y C 0.546 176.533 175.900 0.145 0.000 0.969 735 Y CA -1.257 56.891 58.100 0.080 0.000 1.270 735 Y CB 1.100 39.564 38.460 0.006 0.000 1.103 735 Y HN 0.448 nan 8.280 nan 0.000 0.491 736 T N 4.758 119.474 114.554 0.269 0.000 2.866 736 T HA -0.058 4.292 4.350 -0.001 0.000 0.293 736 T C 0.290 175.018 174.700 0.047 0.000 1.005 736 T CA 0.645 62.794 62.100 0.082 0.000 1.162 736 T CB -0.085 68.772 68.868 -0.019 0.000 0.968 736 T HN 0.699 nan 8.240 nan 0.000 0.530 737 D N 0.764 121.154 120.400 -0.017 0.000 3.039 737 D HA -0.131 4.509 4.640 -0.001 0.000 0.222 737 D C 0.210 176.595 176.300 0.142 0.000 1.179 737 D CA 1.069 55.021 54.000 -0.079 0.000 0.880 737 D CB -0.305 40.273 40.800 -0.371 0.000 1.115 737 D HN 0.582 nan 8.370 nan 0.000 0.416 738 E N 0.946 121.251 120.200 0.175 0.000 2.266 738 E HA 0.288 4.638 4.350 -0.001 0.000 0.277 738 E C 0.718 177.473 176.600 0.258 0.000 1.018 738 E CA -0.351 56.179 56.400 0.216 0.000 0.840 738 E CB 1.386 31.206 29.700 0.200 0.000 1.082 738 E HN 0.298 nan 8.360 nan 0.000 0.395 739 D N -0.107 120.465 120.400 0.287 0.000 2.475 739 D HA -0.017 4.623 4.640 -0.001 0.000 0.286 739 D C 1.098 177.632 176.300 0.391 0.000 1.205 739 D CA -0.095 54.105 54.000 0.334 0.000 1.092 739 D CB -0.097 40.922 40.800 0.364 0.000 1.147 739 D HN 0.414 nan 8.370 nan 0.000 0.575 740 H N -1.730 117.531 119.070 0.317 0.000 2.456 740 H HA 0.099 4.655 4.556 -0.001 0.000 0.296 740 H C 1.912 177.506 175.328 0.444 0.000 1.079 740 H CA 2.076 58.341 56.048 0.363 0.000 1.322 740 H CB -0.326 29.632 29.762 0.327 0.000 1.388 740 H HN 0.486 nan 8.280 nan 0.000 0.538 741 G N -0.377 108.624 108.800 0.334 0.000 2.603 741 G HA2 0.024 3.983 3.960 -0.001 0.000 0.214 741 G HA3 0.024 3.983 3.960 -0.001 0.000 0.214 741 G C 0.583 175.661 174.900 0.298 0.000 1.140 741 G CA 0.286 45.495 45.100 0.181 0.000 0.800 741 G HN 0.499 nan 8.290 nan 0.000 0.533 742 I N 0.086 120.845 120.570 0.316 0.000 6.313 742 I HA -0.302 3.867 4.170 -0.001 0.000 0.126 742 I C 1.251 177.478 176.117 0.184 0.000 1.598 742 I CA 0.272 61.709 61.300 0.227 0.000 2.457 742 I CB -1.377 36.746 38.000 0.206 0.000 3.027 742 I HN 0.275 nan 8.210 nan 0.000 0.280 743 A N 1.519 124.425 122.820 0.143 0.000 2.535 743 A HA 0.365 4.684 4.320 -0.001 0.000 0.273 743 A C 1.052 178.674 177.584 0.064 0.000 1.267 743 A CA 0.471 52.563 52.037 0.093 0.000 0.940 743 A CB 0.155 19.168 19.000 0.021 0.000 1.101 743 A HN 0.634 nan 8.150 nan 0.000 0.521 744 S N -0.431 115.317 115.700 0.079 0.000 2.568 744 S HA 0.051 4.521 4.470 -0.001 0.000 0.282 744 S C 0.825 175.463 174.600 0.063 0.000 1.338 744 S CA 0.263 58.502 58.200 0.066 0.000 1.045 744 S CB 0.076 63.319 63.200 0.072 0.000 0.873 744 S HN 0.525 nan 8.310 nan 0.000 0.516 745 N N 1.469 120.195 118.700 0.043 0.000 2.060 745 N HA -0.168 4.572 4.740 -0.001 0.000 0.195 745 N C 1.579 177.130 175.510 0.069 0.000 1.028 745 N CA 1.689 54.767 53.050 0.047 0.000 0.861 745 N CB -0.271 38.226 38.487 0.017 0.000 1.029 745 N HN 0.537 nan 8.380 nan 0.000 0.428 746 M N 0.538 120.167 119.600 0.048 0.000 2.200 746 M HA 0.018 4.498 4.480 -0.001 0.000 0.265 746 M C 2.296 178.618 176.300 0.037 0.000 1.066 746 M CA 0.803 56.130 55.300 0.045 0.000 1.127 746 M CB -1.237 31.385 32.600 0.037 0.000 1.379 746 M HN 0.146 nan 8.290 nan 0.000 0.420 747 A N -1.281 121.538 122.820 -0.002 0.000 1.968 747 A HA -0.187 4.132 4.320 -0.001 0.000 0.217 747 A C 2.008 179.509 177.584 -0.138 0.000 1.169 747 A CA 1.826 53.778 52.037 -0.141 0.000 0.638 747 A CB -1.019 17.860 19.000 -0.202 0.000 0.812 747 A HN 0.580 nan 8.150 nan 0.000 0.446 748 H N -0.135 118.899 119.070 -0.061 0.000 2.387 748 H HA -0.096 4.460 4.556 -0.001 0.000 0.299 748 H C 2.028 177.410 175.328 0.090 0.000 1.090 748 H CA 2.269 58.334 56.048 0.029 0.000 1.332 748 H CB -0.108 29.666 29.762 0.020 0.000 1.386 748 H HN 0.572 nan 8.280 nan 0.000 0.516 749 Q N -1.111 118.639 119.800 -0.083 0.000 2.083 749 Q HA -0.142 4.197 4.340 -0.001 0.000 0.198 749 Q C 2.145 178.101 176.000 -0.072 0.000 0.969 749 Q CA 1.053 56.789 55.803 -0.112 0.000 0.838 749 Q CB -0.137 28.581 28.738 -0.034 0.000 0.900 749 Q HN 0.617 nan 8.270 nan 0.000 0.436 750 H N 0.884 119.882 119.070 -0.119 0.000 2.353 750 H HA -0.106 4.450 4.556 -0.001 0.000 0.300 750 H C 2.009 177.278 175.328 -0.098 0.000 1.090 750 H CA 1.399 57.401 56.048 -0.076 0.000 1.327 750 H CB -0.031 29.731 29.762 0.000 0.000 1.383 750 H HN 0.270 nan 8.280 nan 0.000 0.508 751 I N 0.021 120.531 120.570 -0.100 0.000 2.315 751 I HA -0.304 3.866 4.170 -0.001 0.000 0.248 751 I C 1.763 177.639 176.117 -0.402 0.000 1.117 751 I CA 1.090 62.265 61.300 -0.209 0.000 1.404 751 I CB -0.229 37.489 38.000 -0.470 0.000 1.071 751 I HN 0.131 nan 8.210 nan 0.000 0.419 752 Y N 0.852 120.940 120.300 -0.353 0.000 2.263 752 Y HA -0.194 4.356 4.550 -0.001 0.000 0.292 752 Y C 2.713 178.445 175.900 -0.281 0.000 1.130 752 Y CA 1.893 59.705 58.100 -0.481 0.000 1.179 752 Y CB -0.826 37.342 38.460 -0.487 0.000 0.998 752 Y HN 0.122 nan 8.280 nan 0.000 0.532 753 T N -1.455 113.012 114.554 -0.145 0.000 2.720 753 T HA -0.267 4.083 4.350 -0.001 0.000 0.268 753 T C 1.549 175.968 174.700 -0.469 0.000 1.037 753 T CA 2.011 63.937 62.100 -0.291 0.000 1.144 753 T CB -0.505 68.151 68.868 -0.352 0.000 0.864 753 T HN 0.425 nan 8.240 nan 0.000 0.444 754 H N 0.904 119.718 119.070 -0.427 0.000 2.293 754 H HA 0.069 4.624 4.556 -0.001 0.000 0.300 754 H C 2.236 177.502 175.328 -0.104 0.000 1.082 754 H CA 1.681 57.553 56.048 -0.293 0.000 1.308 754 H CB -0.260 29.389 29.762 -0.188 0.000 1.375 754 H HN 0.257 nan 8.280 nan 0.000 0.495 755 M N -0.737 118.825 119.600 -0.063 0.000 2.117 755 M HA -0.179 4.301 4.480 -0.001 0.000 0.262 755 M C 2.453 178.920 176.300 0.279 0.000 1.065 755 M CA 1.638 56.932 55.300 -0.009 0.000 1.114 755 M CB -0.099 32.275 32.600 -0.377 0.000 1.361 755 M HN 0.199 nan 8.290 nan 0.000 0.408 756 S N -0.576 115.346 115.700 0.370 0.000 2.370 756 S HA -0.165 4.305 4.470 -0.001 0.000 0.226 756 S C 1.672 176.488 174.600 0.360 0.000 1.033 756 S CA 1.222 59.734 58.200 0.521 0.000 1.011 756 S CB -0.538 63.018 63.200 0.594 0.000 0.852 756 S HN 0.447 nan 8.310 nan 0.000 0.457 757 H N 0.478 119.614 119.070 0.109 0.000 2.270 757 H HA -0.024 4.532 4.556 -0.001 0.000 0.299 757 H C 1.832 177.158 175.328 -0.003 0.000 1.077 757 H CA 1.240 57.297 56.048 0.015 0.000 1.294 757 H CB -1.079 28.635 29.762 -0.079 0.000 1.371 757 H HN 0.399 nan 8.280 nan 0.000 0.491 758 F N 0.980 120.912 119.950 -0.030 0.000 2.063 758 F HA -0.268 4.258 4.527 -0.001 0.000 0.298 758 F C 2.485 178.240 175.800 -0.075 0.000 1.109 758 F CA 1.407 59.355 58.000 -0.087 0.000 1.212 758 F CB -0.753 38.178 39.000 -0.116 0.000 0.973 758 F HN 0.070 nan 8.300 nan 0.000 0.480 759 L N 0.202 121.431 121.223 0.010 0.000 2.012 759 L HA -0.281 4.059 4.340 -0.001 0.000 0.210 759 L C 2.604 179.265 176.870 -0.349 0.000 1.073 759 L CA 1.646 56.310 54.840 -0.294 0.000 0.748 759 L CB -0.605 41.322 42.059 -0.220 0.000 0.891 759 L HN 0.164 nan 8.230 nan 0.000 0.431 760 K N -0.411 119.923 120.400 -0.109 0.000 2.063 760 K HA -0.211 4.109 4.320 -0.001 0.000 0.208 760 K C 2.006 178.579 176.600 -0.045 0.000 1.048 760 K CA 1.165 57.443 56.287 -0.016 0.000 0.928 760 K CB -0.342 32.179 32.500 0.035 0.000 0.713 760 K HN 0.441 nan 8.250 nan 0.000 0.442 761 Q N 0.740 120.462 119.800 -0.130 0.000 2.002 761 Q HA -0.197 4.143 4.340 -0.001 0.000 0.204 761 Q C 2.514 178.435 176.000 -0.131 0.000 0.988 761 Q CA 1.474 57.193 55.803 -0.140 0.000 0.843 761 Q CB -1.368 27.245 28.738 -0.208 0.000 0.908 761 Q HN 0.430 nan 8.270 nan 0.000 0.420 762 c N 0.530 118.966 118.600 -0.274 0.000 2.403 762 c HA -0.146 4.424 4.570 -0.001 0.000 0.277 762 c C 2.131 176.321 174.090 0.167 0.000 1.248 762 c CA 0.489 56.715 56.329 -0.172 0.000 1.762 762 c CB -1.069 41.201 42.510 -0.399 0.000 2.014 762 c HN 0.367 nan 8.230 nan 0.000 0.486 763 F N 1.537 121.441 119.950 -0.077 0.000 2.732 763 F HA 0.239 4.765 4.527 -0.001 0.000 0.303 763 F C 1.718 177.496 175.800 -0.036 0.000 1.110 763 F CA 0.456 58.433 58.000 -0.038 0.000 1.355 763 F CB -1.282 37.705 39.000 -0.022 0.000 1.081 763 F HN 0.273 nan 8.300 nan 0.000 0.565 764 S N 0.605 116.382 115.700 0.128 0.000 3.473 764 S HA -0.216 4.253 4.470 -0.001 0.000 0.339 764 S C 0.255 174.886 174.600 0.051 0.000 1.148 764 S CA 0.206 58.439 58.200 0.054 0.000 0.969 764 S CB -2.091 61.129 63.200 0.033 0.000 0.936 764 S HN 0.240 nan 8.310 nan 0.000 0.530 765 L N 2.204 123.474 121.223 0.078 0.000 2.305 765 L HA 0.396 4.735 4.340 -0.001 0.000 0.281 765 L C -0.909 175.981 176.870 0.033 0.000 1.085 765 L CA -1.914 52.964 54.840 0.064 0.000 0.813 765 L CB 0.197 42.317 42.059 0.102 0.000 1.157 765 L HN 0.057 nan 8.230 nan 0.000 0.436 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.106 63.100 0.010 0.000 0.800 766 P CB 0.000 31.707 31.700 0.012 0.000 0.726