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 2ajb_1_B DATA FIRST_RESID 39 DATA SEQUENCE SRRTYTLTDY LKSTFRVKFY TLQWISDHEY LYKQENNILL FNAEYGNSSI DATA SEQUENCE FLENSTFDEL GYSTNDYSVS PDRQFILFEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWITWS PVGHKLAYVW NNDIYVKNEP NLSSQRITWT DATA SEQUENCE GKENVIYNGV TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRIPYPK AGAENPTVKF FVVDTRTLSP NASVTSYQIV DATA SEQUENCE PPASVLIGDH YLCGVTWVTE ERISLQWIRR AQNYSIIDIC DYDESTGRWI DATA SEQUENCE SSVARQHIEI STTGWVGRFR PAEPHFTSDG NSFYKIISNE EGYKHIcHFQ DATA SEQUENCE TDKSNcTFIT KGAWEVIGIE ALTSDYLYYI SNEHKGMPGG RNLYRIQLND DATA SEQUENCE YTKVTCLSCE LNPERcQYYS ASFSNKAKYY QLRcFGPGLP LYTLHSSSSD DATA SEQUENCE KELRVLEDNS ALDKMLQDVQ MPSKKLDVIN LHGTKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLIEVYA GPCSQKVDTV FRLSWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE ATRQFSKMGF VDDKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGAGSGVFK cGIAVAPVSK WEYYDSVYTE RYMGLPTPED NLDYYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ LSKALVDAGV DFQTMWYTDE DATA SEQUENCE DHGIASNMAH QHIYTHMSHF LKQcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.648 174.600 0.080 0.000 1.055 39 S CA 0.000 58.237 58.200 0.062 0.000 1.107 39 S CB 0.000 63.230 63.200 0.050 0.000 0.593 40 R N 1.547 122.094 120.500 0.078 0.000 3.156 40 R HA -0.135 3.922 4.340 -0.470 0.000 0.569 40 R C -0.211 176.141 176.300 0.087 0.000 0.963 40 R CA 1.132 57.282 56.100 0.084 0.000 1.718 40 R CB -0.178 30.176 30.300 0.091 0.000 1.656 40 R HN 0.795 nan 8.270 nan 0.000 0.549 41 R N 0.788 121.345 120.500 0.095 0.000 2.549 41 R HA 0.382 4.440 4.340 -0.470 0.000 0.267 41 R C -0.240 176.129 176.300 0.114 0.000 1.045 41 R CA 0.078 56.243 56.100 0.108 0.000 1.115 41 R CB 1.160 31.539 30.300 0.132 0.000 1.121 41 R HN 0.741 nan 8.270 nan 0.000 0.543 42 T N -0.834 113.798 114.554 0.129 0.000 2.942 42 T HA 0.224 4.292 4.350 -0.470 0.000 0.289 42 T C -0.775 174.055 174.700 0.215 0.000 1.044 42 T CA -0.647 61.539 62.100 0.145 0.000 1.023 42 T CB 0.936 69.882 68.868 0.130 0.000 1.123 42 T HN 0.513 nan 8.240 nan 0.000 0.512 43 Y N 2.767 123.131 120.300 0.106 0.000 2.480 43 Y HA 0.388 4.655 4.550 -0.471 0.000 0.341 43 Y C 0.926 176.978 175.900 0.253 0.000 1.031 43 Y CA -0.161 58.038 58.100 0.164 0.000 1.295 43 Y CB 0.003 38.511 38.460 0.080 0.000 1.162 43 Y HN 1.000 nan 8.280 nan 0.000 0.523 44 T N 3.101 117.612 114.554 -0.072 0.000 2.912 44 T HA 0.186 4.254 4.350 -0.470 0.000 0.280 44 T C 0.925 175.451 174.700 -0.290 0.000 0.989 44 T CA -0.836 61.242 62.100 -0.037 0.000 0.995 44 T CB 1.294 70.124 68.868 -0.063 0.000 1.077 44 T HN 0.649 nan 8.240 nan 0.000 0.531 45 L N 1.420 122.236 121.223 -0.680 0.000 2.012 45 L HA -0.028 4.030 4.340 -0.470 0.000 0.210 45 L C 2.558 179.256 176.870 -0.287 0.000 1.073 45 L CA 2.296 56.686 54.840 -0.749 0.000 0.748 45 L CB -1.796 39.709 42.059 -0.923 0.000 0.891 45 L HN 0.965 nan 8.230 nan 0.000 0.431 46 T N -0.518 113.890 114.554 -0.243 0.000 2.849 46 T HA -0.172 3.896 4.350 -0.470 0.000 0.270 46 T C 1.548 176.148 174.700 -0.168 0.000 1.066 46 T CA 1.398 63.400 62.100 -0.163 0.000 1.130 46 T CB -0.394 68.402 68.868 -0.121 0.000 0.864 46 T HN 0.448 nan 8.240 nan 0.000 0.481 47 D N -0.016 120.242 120.400 -0.237 0.000 2.097 47 D HA -0.069 4.288 4.640 -0.470 0.000 0.197 47 D C 1.806 178.001 176.300 -0.175 0.000 0.984 47 D CA 1.014 54.838 54.000 -0.293 0.000 0.826 47 D CB -0.206 40.198 40.800 -0.661 0.000 0.973 47 D HN 0.410 nan 8.370 nan 0.000 0.460 48 Y N 1.764 121.903 120.300 -0.268 0.000 2.163 48 Y HA -0.086 4.181 4.550 -0.472 0.000 0.288 48 Y C 2.221 178.146 175.900 0.041 0.000 1.136 48 Y CA 1.120 59.251 58.100 0.051 0.000 1.147 48 Y CB -0.626 37.928 38.460 0.156 0.000 0.987 48 Y HN -0.128 nan 8.280 nan 0.000 0.509 49 L N 0.012 121.023 121.223 -0.354 0.000 2.056 49 L HA -0.183 3.875 4.340 -0.470 0.000 0.207 49 L C 2.151 178.912 176.870 -0.182 0.000 1.078 49 L CA 1.375 55.990 54.840 -0.375 0.000 0.749 49 L CB -0.475 41.440 42.059 -0.240 0.000 0.901 49 L HN 0.035 nan 8.230 nan 0.000 0.433 50 K N -0.459 119.865 120.400 -0.127 0.000 2.426 50 K HA 0.138 4.176 4.320 -0.470 0.000 0.193 50 K C 0.829 177.399 176.600 -0.050 0.000 1.028 50 K CA 0.203 56.444 56.287 -0.078 0.000 1.047 50 K CB 0.298 32.749 32.500 -0.082 0.000 0.821 50 K HN 0.124 nan 8.250 nan 0.000 0.513 51 S N 0.777 116.463 115.700 -0.023 0.000 3.682 51 S HA -0.153 4.035 4.470 -0.470 0.000 0.354 51 S C 1.332 175.955 174.600 0.039 0.000 1.034 51 S CA 0.975 59.212 58.200 0.061 0.000 1.084 51 S CB -1.964 61.266 63.200 0.050 0.000 0.903 51 S HN 0.657 nan 8.310 nan 0.000 0.470 52 T N -1.792 112.742 114.554 -0.033 0.000 2.699 52 T HA -0.101 3.967 4.350 -0.470 0.000 0.268 52 T C 0.489 175.032 174.700 -0.262 0.000 1.036 52 T CA 1.140 63.114 62.100 -0.210 0.000 1.147 52 T CB -0.460 68.180 68.868 -0.380 0.000 0.862 52 T HN 0.405 nan 8.240 nan 0.000 0.446 53 F N 2.506 122.545 119.950 0.149 0.000 2.334 53 F HA 0.572 4.817 4.527 -0.471 0.000 0.365 53 F C 0.569 176.470 175.800 0.168 0.000 1.124 53 F CA -1.382 56.725 58.000 0.179 0.000 1.166 53 F CB 0.631 39.800 39.000 0.282 0.000 1.355 53 F HN -0.055 nan 8.300 nan 0.000 0.532 54 R N 2.493 123.130 120.500 0.228 0.000 2.216 54 R HA 0.450 4.508 4.340 -0.470 0.000 0.332 54 R C -1.187 175.214 176.300 0.168 0.000 1.056 54 R CA -0.328 55.873 56.100 0.169 0.000 0.901 54 R CB 0.556 30.897 30.300 0.069 0.000 1.039 54 R HN 0.411 nan 8.270 nan 0.000 0.456 55 V N 6.428 126.471 119.914 0.216 0.000 2.470 55 V HA 0.132 3.969 4.120 -0.470 0.000 0.276 55 V C 0.518 176.683 176.094 0.119 0.000 1.040 55 V CA 0.017 62.458 62.300 0.235 0.000 1.008 55 V CB 0.648 32.681 31.823 0.350 0.000 0.990 55 V HN 0.721 nan 8.190 nan 0.000 0.477 56 K N 4.883 125.295 120.400 0.021 0.000 2.098 56 K HA 0.757 4.795 4.320 -0.470 0.000 0.244 56 K C -0.704 175.825 176.600 -0.118 0.000 1.014 56 K CA -0.234 55.899 56.287 -0.255 0.000 0.917 56 K CB 1.282 33.688 32.500 -0.156 0.000 1.072 56 K HN 0.572 nan 8.250 nan 0.000 0.477 57 F N -1.879 118.054 119.950 -0.029 0.000 2.923 57 F HA 0.428 4.673 4.527 -0.470 0.000 0.323 57 F C -1.531 174.001 175.800 -0.448 0.000 1.189 57 F CA -1.373 56.395 58.000 -0.386 0.000 0.930 57 F CB 0.736 39.599 39.000 -0.228 0.000 1.414 57 F HN 0.350 nan 8.300 nan 0.000 0.496 58 Y N 0.550 120.419 120.300 -0.718 0.000 2.333 58 Y HA 0.575 4.843 4.550 -0.470 0.000 0.324 58 Y C -1.014 174.790 175.900 -0.161 0.000 1.033 58 Y CA -0.570 57.323 58.100 -0.344 0.000 1.224 58 Y CB 1.777 39.930 38.460 -0.511 0.000 1.120 58 Y HN 0.724 nan 8.280 nan 0.000 0.457 59 T N 7.371 121.927 114.554 0.003 0.000 2.756 59 T HA 0.546 4.614 4.350 -0.470 0.000 0.290 59 T C -0.697 174.011 174.700 0.013 0.000 0.985 59 T CA -0.504 61.604 62.100 0.014 0.000 0.955 59 T CB 0.148 69.030 68.868 0.023 0.000 0.930 59 T HN 0.525 nan 8.240 nan 0.000 0.451 60 L N 1.406 122.581 121.223 -0.080 0.000 2.279 60 L HA 0.788 4.846 4.340 -0.470 0.000 0.262 60 L C -0.559 176.236 176.870 -0.126 0.000 1.019 60 L CA -1.004 53.741 54.840 -0.158 0.000 0.823 60 L CB 1.407 43.037 42.059 -0.714 0.000 1.358 60 L HN 0.385 nan 8.230 nan 0.000 0.432 61 Q N 0.759 120.519 119.800 -0.067 0.000 2.414 61 Q HA 0.315 4.373 4.340 -0.470 0.000 0.256 61 Q C -1.827 174.205 176.000 0.053 0.000 0.974 61 Q CA -0.295 55.524 55.803 0.027 0.000 0.723 61 Q CB 1.259 30.063 28.738 0.109 0.000 1.281 61 Q HN 0.636 nan 8.270 nan 0.000 0.470 62 W N 3.791 125.201 121.300 0.184 0.000 2.257 62 W HA 0.006 4.383 4.660 -0.470 0.000 0.337 62 W C 1.348 177.956 176.519 0.148 0.000 1.321 62 W CA 0.074 57.537 57.345 0.197 0.000 1.267 62 W CB 0.399 29.969 29.460 0.185 0.000 1.187 62 W HN 0.659 nan 8.180 nan 0.000 0.565 63 I N 0.088 120.871 120.570 0.355 0.000 4.338 63 I HA 0.378 4.266 4.170 -0.470 0.000 0.329 63 I C 0.271 176.489 176.117 0.168 0.000 1.378 63 I CA -0.193 61.223 61.300 0.193 0.000 1.170 63 I CB -0.076 37.960 38.000 0.059 0.000 1.206 63 I HN 0.259 nan 8.210 nan 0.000 0.432 64 S N 0.201 116.042 115.700 0.235 0.000 2.683 64 S HA 0.145 4.333 4.470 -0.470 0.000 0.269 64 S C 0.074 174.812 174.600 0.231 0.000 1.165 64 S CA -0.018 58.285 58.200 0.171 0.000 0.840 64 S CB 0.747 63.976 63.200 0.048 0.000 1.169 64 S HN 0.308 nan 8.310 nan 0.000 0.490 65 D N 0.412 120.952 120.400 0.233 0.000 2.350 65 D HA -0.161 4.197 4.640 -0.470 0.000 0.216 65 D C 1.017 177.562 176.300 0.408 0.000 0.968 65 D CA 1.718 55.867 54.000 0.248 0.000 0.894 65 D CB -0.560 40.383 40.800 0.238 0.000 0.909 65 D HN 0.879 nan 8.370 nan 0.000 0.520 66 H N -1.848 117.429 119.070 0.345 0.000 3.480 66 H HA 0.424 4.698 4.556 -0.470 0.000 0.257 66 H C -0.411 175.153 175.328 0.394 0.000 1.196 66 H CA -0.473 55.829 56.048 0.423 0.000 1.100 66 H CB 0.023 30.001 29.762 0.360 0.000 1.683 66 H HN 0.035 nan 8.280 nan 0.000 0.702 67 E N 0.966 121.238 120.200 0.120 0.000 2.320 67 E HA 0.497 4.565 4.350 -0.470 0.000 0.264 67 E C -1.531 175.211 176.600 0.237 0.000 0.923 67 E CA -1.289 55.136 56.400 0.042 0.000 0.796 67 E CB 2.763 32.360 29.700 -0.172 0.000 1.262 67 E HN 0.281 nan 8.360 nan 0.000 0.428 68 Y N -1.299 118.972 120.300 -0.048 0.000 2.521 68 Y HA 0.470 4.738 4.550 -0.470 0.000 0.332 68 Y C -1.933 173.929 175.900 -0.063 0.000 1.121 68 Y CA -1.235 56.744 58.100 -0.201 0.000 1.037 68 Y CB 0.512 38.501 38.460 -0.786 0.000 1.330 68 Y HN 0.351 nan 8.280 nan 0.000 0.452 69 L N 3.934 125.262 121.223 0.175 0.000 2.375 69 L HA 0.492 4.550 4.340 -0.470 0.000 0.271 69 L C -1.155 175.942 176.870 0.379 0.000 1.107 69 L CA -0.936 54.008 54.840 0.174 0.000 0.806 69 L CB 1.314 43.409 42.059 0.059 0.000 1.146 69 L HN 0.818 nan 8.230 nan 0.000 0.447 70 Y N 2.392 122.826 120.300 0.224 0.000 2.401 70 Y HA 0.231 4.499 4.550 -0.470 0.000 0.330 70 Y C -0.599 175.398 175.900 0.162 0.000 1.071 70 Y CA -1.271 56.911 58.100 0.137 0.000 1.049 70 Y CB 1.399 39.912 38.460 0.089 0.000 1.239 70 Y HN 0.439 nan 8.280 nan 0.000 0.437 71 K N 5.957 126.099 120.400 -0.431 0.000 2.292 71 K HA 0.210 4.248 4.320 -0.470 0.000 0.290 71 K C -0.982 175.237 176.600 -0.635 0.000 1.083 71 K CA -0.158 55.942 56.287 -0.312 0.000 0.918 71 K CB 0.451 32.883 32.500 -0.113 0.000 1.089 71 K HN 0.880 nan 8.250 nan 0.000 0.473 72 Q N 3.951 123.567 119.800 -0.306 0.000 2.325 72 Q HA 0.092 4.150 4.340 -0.470 0.000 0.270 72 Q C -0.831 175.144 176.000 -0.042 0.000 1.020 72 Q CA -0.359 55.344 55.803 -0.168 0.000 0.785 72 Q CB 1.061 29.871 28.738 0.120 0.000 1.259 72 Q HN 0.620 nan 8.270 nan 0.000 0.452 73 E N 2.995 123.166 120.200 -0.049 0.000 2.971 73 E HA -0.299 3.769 4.350 -0.470 0.000 0.278 73 E C -0.554 176.030 176.600 -0.027 0.000 1.009 73 E CA 1.173 57.558 56.400 -0.025 0.000 0.862 73 E CB -1.607 28.097 29.700 0.007 0.000 1.436 73 E HN 1.000 nan 8.360 nan 0.000 0.434 74 N N -2.038 116.629 118.700 -0.055 0.000 2.925 74 N HA -0.196 4.262 4.740 -0.470 0.000 0.244 74 N C -0.328 175.224 175.510 0.070 0.000 1.000 74 N CA 1.450 54.468 53.050 -0.053 0.000 0.895 74 N CB -1.562 36.880 38.487 -0.075 0.000 1.119 74 N HN 0.444 nan 8.380 nan 0.000 0.569 75 N N 0.428 119.164 118.700 0.061 0.000 2.472 75 N HA 0.640 5.098 4.740 -0.470 0.000 0.289 75 N C -0.114 175.456 175.510 0.099 0.000 1.156 75 N CA -0.403 52.708 53.050 0.102 0.000 0.940 75 N CB 1.431 39.954 38.487 0.060 0.000 1.200 75 N HN 0.074 nan 8.380 nan 0.000 0.511 76 I N 1.760 122.403 120.570 0.121 0.000 2.328 76 I HA 0.265 4.153 4.170 -0.470 0.000 0.287 76 I C -0.758 175.464 176.117 0.175 0.000 1.012 76 I CA -0.453 60.929 61.300 0.136 0.000 1.195 76 I CB 0.565 38.623 38.000 0.096 0.000 1.350 76 I HN 0.223 nan 8.210 nan 0.000 0.464 77 L N 6.435 127.773 121.223 0.192 0.000 2.325 77 L HA 0.419 4.476 4.340 -0.470 0.000 0.279 77 L C -0.475 176.459 176.870 0.107 0.000 1.054 77 L CA -0.792 54.118 54.840 0.118 0.000 0.804 77 L CB 1.643 43.769 42.059 0.112 0.000 1.200 77 L HN 0.427 nan 8.230 nan 0.000 0.436 78 L N 3.612 124.801 121.223 -0.057 0.000 2.276 78 L HA 0.486 4.544 4.340 -0.470 0.000 0.286 78 L C -1.016 175.694 176.870 -0.268 0.000 1.024 78 L CA 0.246 55.031 54.840 -0.092 0.000 0.826 78 L CB 0.331 42.380 42.059 -0.016 0.000 1.211 78 L HN 0.188 nan 8.230 nan 0.000 0.422 79 F N 3.776 123.457 119.950 -0.449 0.000 2.399 79 F HA 0.400 4.645 4.527 -0.470 0.000 0.334 79 F C 0.830 176.345 175.800 -0.474 0.000 1.097 79 F CA -0.395 57.271 58.000 -0.556 0.000 1.076 79 F CB 1.159 39.527 39.000 -1.053 0.000 1.162 79 F HN 0.535 nan 8.300 nan 0.000 0.495 80 N N 2.231 120.891 118.700 -0.068 0.000 2.501 80 N HA 0.251 4.709 4.740 -0.470 0.000 0.245 80 N C 0.403 175.914 175.510 0.001 0.000 0.974 80 N CA -0.027 53.035 53.050 0.021 0.000 0.941 80 N CB 1.676 40.235 38.487 0.120 0.000 1.122 80 N HN 0.788 nan 8.380 nan 0.000 0.507 81 A N 4.091 126.884 122.820 -0.046 0.000 1.978 81 A HA -0.153 3.884 4.320 -0.470 0.000 0.220 81 A C 1.813 179.128 177.584 -0.447 0.000 1.170 81 A CA 1.284 53.174 52.037 -0.244 0.000 0.636 81 A CB -0.293 18.453 19.000 -0.424 0.000 0.810 81 A HN 0.844 nan 8.150 nan 0.000 0.448 82 E N -1.435 118.555 120.200 -0.351 0.000 2.033 82 E HA -0.229 3.838 4.350 -0.470 0.000 0.199 82 E C 0.988 177.205 176.600 -0.639 0.000 1.011 82 E CA 1.955 58.073 56.400 -0.470 0.000 0.815 82 E CB -0.270 29.088 29.700 -0.571 0.000 0.755 82 E HN 0.862 nan 8.360 nan 0.000 0.451 83 Y N -1.688 118.630 120.300 0.029 0.000 2.557 83 Y HA 0.345 4.613 4.550 -0.470 0.000 0.247 83 Y C 1.361 177.272 175.900 0.018 0.000 1.164 83 Y CA 0.154 58.268 58.100 0.024 0.000 1.218 83 Y CB 1.172 39.648 38.460 0.026 0.000 1.210 83 Y HN 0.184 nan 8.280 nan 0.000 0.529 84 G N 1.086 109.942 108.800 0.094 0.000 2.189 84 G HA2 -0.372 3.305 3.960 -0.470 0.000 0.267 84 G HA3 -0.372 3.305 3.960 -0.470 0.000 0.267 84 G C 0.117 175.095 174.900 0.130 0.000 0.975 84 G CA 0.396 45.565 45.100 0.115 0.000 0.644 84 G HN 0.483 nan 8.290 nan 0.000 0.537 85 N N 0.464 119.225 118.700 0.102 0.000 2.513 85 N HA 0.486 4.944 4.740 -0.470 0.000 0.268 85 N C 0.018 175.468 175.510 -0.099 0.000 1.180 85 N CA 0.651 53.713 53.050 0.020 0.000 0.948 85 N CB 1.655 40.163 38.487 0.034 0.000 1.083 85 N HN 0.239 nan 8.380 nan 0.000 0.455 86 S N 0.181 115.732 115.700 -0.250 0.000 2.786 86 S HA 0.800 4.988 4.470 -0.470 0.000 0.307 86 S C -0.916 173.501 174.600 -0.305 0.000 1.121 86 S CA -0.419 57.465 58.200 -0.526 0.000 0.975 86 S CB 0.403 62.942 63.200 -1.102 0.000 1.220 86 S HN 1.022 nan 8.310 nan 0.000 0.550 87 S N 0.333 115.849 115.700 -0.307 0.000 2.580 87 S HA 0.422 4.610 4.470 -0.470 0.000 0.281 87 S C -1.254 173.289 174.600 -0.096 0.000 1.129 87 S CA -0.876 57.236 58.200 -0.147 0.000 0.862 87 S CB -0.141 63.012 63.200 -0.079 0.000 1.090 87 S HN 0.633 nan 8.310 nan 0.000 0.451 88 I N 2.865 123.405 120.570 -0.050 0.000 2.556 88 I HA 0.203 4.091 4.170 -0.470 0.000 0.284 88 I C 0.628 176.776 176.117 0.052 0.000 1.114 88 I CA -0.086 61.213 61.300 -0.001 0.000 1.418 88 I CB 0.476 38.462 38.000 -0.023 0.000 1.394 88 I HN 0.813 nan 8.210 nan 0.000 0.552 89 F N 6.873 126.789 119.950 -0.056 0.000 2.500 89 F HA 0.355 4.599 4.527 -0.470 0.000 0.285 89 F C 0.069 175.837 175.800 -0.054 0.000 1.088 89 F CA 0.081 58.052 58.000 -0.048 0.000 1.432 89 F CB 0.706 39.688 39.000 -0.030 0.000 1.131 89 F HN 0.290 nan 8.300 nan 0.000 0.582 90 L N 1.057 122.306 121.223 0.043 0.000 2.588 90 L HA 0.328 4.386 4.340 -0.470 0.000 0.263 90 L C -1.352 175.490 176.870 -0.047 0.000 0.935 90 L CA -0.365 54.431 54.840 -0.073 0.000 0.891 90 L CB 1.749 43.763 42.059 -0.074 0.000 1.318 90 L HN -0.016 nan 8.230 nan 0.000 0.409 91 E N 1.613 121.757 120.200 -0.094 0.000 2.283 91 E HA 0.290 4.358 4.350 -0.470 0.000 0.271 91 E C 0.557 177.120 176.600 -0.061 0.000 1.031 91 E CA -0.261 56.108 56.400 -0.052 0.000 0.868 91 E CB 0.630 30.296 29.700 -0.056 0.000 1.094 91 E HN 0.649 nan 8.360 nan 0.000 0.401 92 N N 0.625 119.346 118.700 0.034 0.000 2.417 92 N HA -0.228 4.230 4.740 -0.470 0.000 0.187 92 N C 0.873 176.376 175.510 -0.011 0.000 1.027 92 N CA 1.299 54.412 53.050 0.105 0.000 0.891 92 N CB -0.253 38.280 38.487 0.077 0.000 0.956 92 N HN 0.213 nan 8.380 nan 0.000 0.442 93 S N 0.131 115.785 115.700 -0.076 0.000 2.359 93 S HA -0.204 3.984 4.470 -0.470 0.000 0.223 93 S C 1.866 176.356 174.600 -0.185 0.000 1.039 93 S CA 1.909 60.047 58.200 -0.105 0.000 1.042 93 S CB -1.066 62.076 63.200 -0.096 0.000 0.915 93 S HN 0.563 nan 8.310 nan 0.000 0.439 94 T N 1.999 116.371 114.554 -0.304 0.000 2.653 94 T HA -0.143 3.925 4.350 -0.470 0.000 0.268 94 T C 1.430 175.767 174.700 -0.605 0.000 1.035 94 T CA 1.624 63.421 62.100 -0.505 0.000 1.154 94 T CB -0.627 67.781 68.868 -0.767 0.000 0.862 94 T HN 0.323 nan 8.240 nan 0.000 0.441 95 F N 1.765 121.503 119.950 -0.353 0.000 2.234 95 F HA 0.011 4.256 4.527 -0.470 0.000 0.299 95 F C 2.279 177.876 175.800 -0.338 0.000 1.087 95 F CA 0.351 58.102 58.000 -0.415 0.000 1.340 95 F CB -0.626 38.177 39.000 -0.330 0.000 1.031 95 F HN 0.114 nan 8.300 nan 0.000 0.500 96 D N 0.267 120.614 120.400 -0.088 0.000 2.144 96 D HA -0.156 4.202 4.640 -0.470 0.000 0.199 96 D C 1.813 178.019 176.300 -0.158 0.000 0.984 96 D CA 1.184 55.122 54.000 -0.103 0.000 0.834 96 D CB -0.389 40.364 40.800 -0.079 0.000 0.955 96 D HN 0.415 nan 8.370 nan 0.000 0.465 97 E N 0.061 120.144 120.200 -0.195 0.000 2.478 97 E HA 0.009 4.076 4.350 -0.470 0.000 0.198 97 E C 2.078 178.519 176.600 -0.264 0.000 1.046 97 E CA -0.054 56.229 56.400 -0.195 0.000 0.870 97 E CB 0.156 29.757 29.700 -0.164 0.000 0.818 97 E HN 0.297 nan 8.360 nan 0.000 0.527 98 L N -0.588 120.386 121.223 -0.415 0.000 2.179 98 L HA 0.010 4.068 4.340 -0.470 0.000 0.208 98 L C 1.780 178.236 176.870 -0.690 0.000 1.096 98 L CA 0.963 55.397 54.840 -0.678 0.000 0.779 98 L CB -0.276 41.100 42.059 -1.137 0.000 0.922 98 L HN 0.375 nan 8.230 nan 0.000 0.443 99 G N -0.568 107.949 108.800 -0.471 0.000 2.175 99 G HA2 -0.301 3.377 3.960 -0.470 0.000 0.244 99 G HA3 -0.301 3.377 3.960 -0.470 0.000 0.244 99 G C -0.009 174.801 174.900 -0.150 0.000 0.982 99 G CA 0.313 45.263 45.100 -0.250 0.000 0.641 99 G HN 0.443 nan 8.290 nan 0.000 0.527 100 Y N -0.990 119.230 120.300 -0.134 0.000 2.597 100 Y HA 0.789 5.057 4.550 -0.470 0.000 0.340 100 Y C 0.000 175.845 175.900 -0.091 0.000 1.097 100 Y CA -1.561 56.479 58.100 -0.101 0.000 1.037 100 Y CB 0.623 38.992 38.460 -0.152 0.000 1.305 100 Y HN 0.129 nan 8.280 nan 0.000 0.463 101 S N 1.624 117.444 115.700 0.200 0.000 2.443 101 S HA 0.184 4.371 4.470 -0.470 0.000 0.284 101 S C -0.141 174.558 174.600 0.165 0.000 1.206 101 S CA -0.367 57.889 58.200 0.094 0.000 1.074 101 S CB -0.059 63.172 63.200 0.051 0.000 0.963 101 S HN 0.635 nan 8.310 nan 0.000 0.501 102 T N 3.879 118.470 114.554 0.062 0.000 2.834 102 T HA 0.060 4.127 4.350 -0.470 0.000 0.298 102 T C 1.474 176.173 174.700 -0.002 0.000 0.966 102 T CA -0.263 61.886 62.100 0.082 0.000 1.141 102 T CB 0.236 69.035 68.868 -0.115 0.000 0.905 102 T HN 0.647 nan 8.240 nan 0.000 0.535 103 N N 2.173 120.904 118.700 0.052 0.000 2.405 103 N HA -0.008 4.450 4.740 -0.470 0.000 0.175 103 N C -0.163 175.321 175.510 -0.044 0.000 1.051 103 N CA 0.415 53.440 53.050 -0.041 0.000 0.899 103 N CB 0.510 38.961 38.487 -0.060 0.000 1.000 103 N HN 0.670 nan 8.380 nan 0.000 0.451 104 D N -1.635 118.807 120.400 0.070 0.000 2.997 104 D HA 0.143 4.501 4.640 -0.470 0.000 0.276 104 D C -1.671 174.804 176.300 0.291 0.000 1.141 104 D CA -0.445 53.586 54.000 0.051 0.000 0.727 104 D CB 0.170 40.963 40.800 -0.012 0.000 1.306 104 D HN 0.086 nan 8.370 nan 0.000 0.439 105 Y N -1.077 119.415 120.300 0.320 0.000 2.669 105 Y HA 0.840 5.108 4.550 -0.470 0.000 0.335 105 Y C -1.016 175.092 175.900 0.347 0.000 1.116 105 Y CA -1.066 57.294 58.100 0.433 0.000 1.081 105 Y CB 1.724 40.535 38.460 0.584 0.000 1.297 105 Y HN 0.213 nan 8.280 nan 0.000 0.484 106 S N 1.075 117.152 115.700 0.629 0.000 2.706 106 S HA 0.546 4.734 4.470 -0.470 0.000 0.270 106 S C -1.866 173.116 174.600 0.637 0.000 1.163 106 S CA -0.611 57.921 58.200 0.552 0.000 1.042 106 S CB 0.571 64.056 63.200 0.476 0.000 1.079 106 S HN 0.718 nan 8.310 nan 0.000 0.474 107 V N 5.142 125.311 119.914 0.425 0.000 2.530 107 V HA 0.387 4.225 4.120 -0.470 0.000 0.282 107 V C 0.877 176.837 176.094 -0.224 0.000 1.048 107 V CA -0.437 61.970 62.300 0.177 0.000 0.997 107 V CB 1.307 33.218 31.823 0.147 0.000 0.987 107 V HN 0.999 nan 8.190 nan 0.000 0.477 108 S N 6.703 121.935 115.700 -0.779 0.000 2.568 108 S HA 0.136 4.324 4.470 -0.470 0.000 0.282 108 S C -1.287 173.025 174.600 -0.480 0.000 1.338 108 S CA -0.748 56.631 58.200 -1.369 0.000 1.045 108 S CB 0.590 62.849 63.200 -1.568 0.000 0.873 108 S HN 0.655 nan 8.310 nan 0.000 0.516 109 P HA -0.182 nan 4.420 nan 0.000 0.216 109 P C 0.746 178.003 177.300 -0.072 0.000 1.150 109 P CA 1.680 64.713 63.100 -0.112 0.000 0.843 109 P CB -0.298 31.368 31.700 -0.058 0.000 0.787 110 D N -1.111 119.244 120.400 -0.075 0.000 2.363 110 D HA -0.087 4.270 4.640 -0.470 0.000 0.226 110 D C 0.677 176.973 176.300 -0.007 0.000 1.020 110 D CA -0.038 53.957 54.000 -0.008 0.000 0.892 110 D CB -0.724 40.110 40.800 0.057 0.000 0.900 110 D HN 0.062 nan 8.370 nan 0.000 0.531 111 R N -1.346 119.137 120.500 -0.028 0.000 4.000 111 R HA -0.250 3.808 4.340 -0.470 0.000 0.362 111 R C 1.054 177.331 176.300 -0.039 0.000 1.183 111 R CA 1.327 57.465 56.100 0.064 0.000 1.011 111 R CB -2.298 28.101 30.300 0.165 0.000 1.501 111 R HN 0.351 nan 8.270 nan 0.000 0.553 112 Q N -0.887 118.810 119.800 -0.171 0.000 2.302 112 Q HA 0.128 4.185 4.340 -0.470 0.000 0.202 112 Q C -0.128 175.370 176.000 -0.837 0.000 0.936 112 Q CA 0.839 56.340 55.803 -0.502 0.000 0.886 112 Q CB 0.372 28.759 28.738 -0.583 0.000 0.986 112 Q HN 0.208 nan 8.270 nan 0.000 0.487 113 F N -0.613 119.209 119.950 -0.214 0.000 2.603 113 F HA 0.533 4.778 4.527 -0.470 0.000 0.317 113 F C -0.544 175.220 175.800 -0.060 0.000 1.066 113 F CA -1.183 56.738 58.000 -0.132 0.000 0.941 113 F CB 1.758 40.729 39.000 -0.048 0.000 1.291 113 F HN -0.198 nan 8.300 nan 0.000 0.472 114 I N 2.221 122.960 120.570 0.281 0.000 2.608 114 I HA 0.544 4.432 4.170 -0.470 0.000 0.295 114 I C -1.901 174.343 176.117 0.211 0.000 1.049 114 I CA -1.105 60.326 61.300 0.218 0.000 1.063 114 I CB 1.881 39.881 38.000 0.001 0.000 1.248 114 I HN 0.508 nan 8.210 nan 0.000 0.424 115 L N 7.623 129.075 121.223 0.382 0.000 2.272 115 L HA 0.511 4.569 4.340 -0.470 0.000 0.289 115 L C -1.390 175.684 176.870 0.340 0.000 1.032 115 L CA 0.149 55.182 54.840 0.322 0.000 0.810 115 L CB 0.904 43.166 42.059 0.339 0.000 1.205 115 L HN 0.366 nan 8.230 nan 0.000 0.422 116 F N 3.571 123.805 119.950 0.472 0.000 2.415 116 F HA 0.374 4.619 4.527 -0.471 0.000 0.348 116 F C 0.462 176.498 175.800 0.392 0.000 1.119 116 F CA -0.706 57.572 58.000 0.462 0.000 1.069 116 F CB 1.417 40.682 39.000 0.442 0.000 1.124 116 F HN 0.452 nan 8.300 nan 0.000 0.472 117 E N 5.060 125.556 120.200 0.494 0.000 2.133 117 E HA 0.326 4.394 4.350 -0.470 0.000 0.274 117 E C -1.627 175.048 176.600 0.124 0.000 0.930 117 E CA -0.608 55.835 56.400 0.072 0.000 0.770 117 E CB 1.031 30.765 29.700 0.057 0.000 1.104 117 E HN 0.552 nan 8.360 nan 0.000 0.403 118 Y N 1.634 121.724 120.300 -0.349 0.000 2.669 118 Y HA 0.472 4.740 4.550 -0.470 0.000 0.335 118 Y C -0.141 175.611 175.900 -0.247 0.000 1.116 118 Y CA -2.039 55.886 58.100 -0.293 0.000 1.081 118 Y CB 0.472 38.577 38.460 -0.592 0.000 1.297 118 Y HN 0.557 nan 8.280 nan 0.000 0.484 119 N N -0.177 118.476 118.700 -0.078 0.000 2.740 119 N HA -0.297 4.161 4.740 -0.470 0.000 0.248 119 N C -1.002 174.458 175.510 -0.083 0.000 1.062 119 N CA 0.932 53.912 53.050 -0.115 0.000 0.704 119 N CB -1.427 36.895 38.487 -0.275 0.000 0.968 119 N HN 0.898 nan 8.380 nan 0.000 0.547 120 Y N 0.301 120.515 120.300 -0.143 0.000 2.632 120 Y HA 0.241 4.508 4.550 -0.471 0.000 0.329 120 Y C 0.107 175.956 175.900 -0.085 0.000 1.174 120 Y CA -0.006 58.008 58.100 -0.143 0.000 1.469 120 Y CB 0.704 39.023 38.460 -0.234 0.000 1.242 120 Y HN 0.010 nan 8.280 nan 0.000 0.540 121 V N 7.944 127.509 119.914 -0.582 0.000 2.419 121 V HA 0.192 4.030 4.120 -0.470 0.000 0.287 121 V C -0.243 175.481 176.094 -0.618 0.000 1.017 121 V CA -1.401 60.645 62.300 -0.423 0.000 0.844 121 V CB 1.089 32.783 31.823 -0.215 0.000 1.011 121 V HN 0.772 nan 8.190 nan 0.000 0.429 122 K N 3.689 123.765 120.400 -0.540 0.000 2.414 122 K HA 0.159 4.197 4.320 -0.470 0.000 0.272 122 K C 0.404 176.850 176.600 -0.257 0.000 0.993 122 K CA 0.378 56.491 56.287 -0.291 0.000 0.964 122 K CB 1.166 33.713 32.500 0.078 0.000 0.925 122 K HN 0.815 nan 8.250 nan 0.000 0.487 123 Q N 2.897 122.513 119.800 -0.307 0.000 2.653 123 Q HA 0.200 4.258 4.340 -0.470 0.000 0.212 123 Q C -0.058 175.683 176.000 -0.432 0.000 0.951 123 Q CA -0.483 54.924 55.803 -0.659 0.000 0.535 123 Q CB 0.117 28.265 28.738 -0.985 0.000 3.737 123 Q HN 0.737 nan 8.270 nan 0.000 0.401 124 W N 0.406 121.705 121.300 -0.000 0.000 1.763 124 W HA 0.365 4.740 4.660 -0.475 0.000 0.619 124 W C 1.872 178.391 176.519 0.000 0.000 1.755 124 W CA -0.655 56.715 57.345 0.042 0.000 1.933 124 W CB -0.125 29.305 29.460 -0.049 0.000 3.002 124 W HN 0.309 nan 8.180 nan 0.000 0.782 125 R N -0.626 119.990 120.500 0.192 0.000 2.090 125 R HA -0.120 3.938 4.340 -0.470 0.000 0.228 125 R C 1.687 177.854 176.300 -0.222 0.000 1.110 125 R CA 1.562 57.608 56.100 -0.091 0.000 0.973 125 R CB -0.300 29.812 30.300 -0.313 0.000 0.869 125 R HN 0.510 nan 8.270 nan 0.000 0.440 126 H N -1.202 117.959 119.070 0.151 0.000 2.657 126 H HA 0.137 4.411 4.556 -0.468 0.000 0.262 126 H C 0.766 176.208 175.328 0.190 0.000 0.965 126 H CA 0.519 56.680 56.048 0.187 0.000 1.184 126 H CB 0.013 29.869 29.762 0.156 0.000 1.443 126 H HN 0.127 nan 8.280 nan 0.000 0.462 127 S N 1.380 117.111 115.700 0.053 0.000 2.584 127 S HA 0.289 4.477 4.470 -0.470 0.000 0.270 127 S C -0.239 174.188 174.600 -0.288 0.000 1.346 127 S CA -0.298 57.598 58.200 -0.506 0.000 1.018 127 S CB 0.451 62.825 63.200 -1.377 0.000 0.899 127 S HN 0.476 nan 8.310 nan 0.000 0.542 128 Y N -2.452 117.629 120.300 -0.364 0.000 2.765 128 Y HA 0.583 4.850 4.550 -0.472 0.000 0.350 128 Y C -0.908 174.903 175.900 -0.149 0.000 1.196 128 Y CA -0.785 57.105 58.100 -0.349 0.000 1.119 128 Y CB 0.356 38.535 38.460 -0.467 0.000 1.368 128 Y HN 0.954 nan 8.280 nan 0.000 0.463 129 T N 0.182 114.725 114.554 -0.019 0.000 2.932 129 T HA 1.038 5.105 4.350 -0.470 0.000 0.289 129 T C -0.462 174.298 174.700 0.100 0.000 1.039 129 T CA -0.146 61.980 62.100 0.044 0.000 1.024 129 T CB 1.815 70.678 68.868 -0.009 0.000 1.090 129 T HN 1.963 nan 8.240 nan 0.000 0.496 130 A N 0.878 123.752 122.820 0.091 0.000 2.564 130 A HA 0.779 4.817 4.320 -0.470 0.000 0.291 130 A C -0.612 176.802 177.584 -0.283 0.000 1.102 130 A CA -0.980 50.980 52.037 -0.127 0.000 0.660 130 A CB 1.042 19.942 19.000 -0.166 0.000 1.283 130 A HN 0.862 nan 8.150 nan 0.000 0.430 131 S N -0.715 114.581 115.700 -0.673 0.000 2.608 131 S HA 0.805 4.992 4.470 -0.470 0.000 0.291 131 S C -1.555 172.515 174.600 -0.883 0.000 1.146 131 S CA -0.062 57.689 58.200 -0.748 0.000 1.043 131 S CB 0.682 63.157 63.200 -1.208 0.000 1.037 131 S HN 0.447 nan 8.310 nan 0.000 0.520 132 Y N 0.152 120.297 120.300 -0.260 0.000 2.457 132 Y HA 0.410 4.678 4.550 -0.471 0.000 0.343 132 Y C -0.408 175.586 175.900 0.157 0.000 0.994 132 Y CA -0.950 57.157 58.100 0.011 0.000 1.031 132 Y CB 1.608 40.001 38.460 -0.111 0.000 1.246 132 Y HN 0.481 nan 8.280 nan 0.000 0.449 133 D N 3.017 123.703 120.400 0.477 0.000 2.256 133 D HA 0.524 4.882 4.640 -0.470 0.000 0.246 133 D C -0.755 175.737 176.300 0.319 0.000 1.042 133 D CA -0.244 53.995 54.000 0.398 0.000 0.841 133 D CB 2.183 43.295 40.800 0.520 0.000 1.223 133 D HN 0.422 nan 8.370 nan 0.000 0.470 134 I N 2.462 123.168 120.570 0.226 0.000 2.354 134 I HA 0.209 4.097 4.170 -0.470 0.000 0.292 134 I C -0.808 175.468 176.117 0.266 0.000 0.989 134 I CA -0.972 60.452 61.300 0.207 0.000 1.188 134 I CB 1.272 39.345 38.000 0.121 0.000 1.342 134 I HN 0.235 nan 8.210 nan 0.000 0.457 135 Y N 6.029 126.362 120.300 0.055 0.000 2.335 135 Y HA 0.301 4.569 4.550 -0.470 0.000 0.338 135 Y C -0.087 175.860 175.900 0.078 0.000 0.977 135 Y CA -0.658 57.459 58.100 0.028 0.000 1.114 135 Y CB 1.037 39.402 38.460 -0.158 0.000 1.182 135 Y HN 0.494 nan 8.280 nan 0.000 0.463 136 D N 5.460 125.609 120.400 -0.419 0.000 2.351 136 D HA 0.092 4.450 4.640 -0.470 0.000 0.251 136 D C 0.333 176.168 176.300 -0.775 0.000 1.137 136 D CA 0.304 54.019 54.000 -0.474 0.000 0.879 136 D CB 1.190 41.783 40.800 -0.345 0.000 1.181 136 D HN 0.870 nan 8.370 nan 0.000 0.448 137 L N 3.513 124.398 121.223 -0.565 0.000 2.607 137 L HA 0.097 4.155 4.340 -0.470 0.000 0.228 137 L C 1.635 178.283 176.870 -0.370 0.000 1.123 137 L CA -0.132 54.465 54.840 -0.405 0.000 0.890 137 L CB -0.050 41.804 42.059 -0.342 0.000 1.103 137 L HN 0.312 nan 8.230 nan 0.000 0.468 138 N N 0.831 119.297 118.700 -0.390 0.000 2.517 138 N HA -0.027 4.431 4.740 -0.470 0.000 0.202 138 N C 1.381 176.747 175.510 -0.240 0.000 1.042 138 N CA 0.667 53.546 53.050 -0.285 0.000 0.952 138 N CB 0.027 38.350 38.487 -0.273 0.000 1.211 138 N HN 0.309 nan 8.380 nan 0.000 0.458 139 K N 1.551 121.798 120.400 -0.255 0.000 2.525 139 K HA 0.164 4.202 4.320 -0.470 0.000 0.192 139 K C -0.121 176.340 176.600 -0.232 0.000 1.029 139 K CA 0.053 56.220 56.287 -0.200 0.000 1.029 139 K CB 0.035 32.434 32.500 -0.168 0.000 0.814 139 K HN 0.038 nan 8.250 nan 0.000 0.503 140 R N 1.504 121.798 120.500 -0.344 0.000 3.358 140 R HA -0.207 3.851 4.340 -0.470 0.000 0.248 140 R C -0.868 175.230 176.300 -0.336 0.000 0.981 140 R CA 0.860 56.733 56.100 -0.380 0.000 0.662 140 R CB -1.913 28.347 30.300 -0.067 0.000 1.037 140 R HN 0.581 nan 8.270 nan 0.000 0.460 141 Q N 0.183 119.702 119.800 -0.469 0.000 2.377 141 Q HA 0.475 4.533 4.340 -0.470 0.000 0.271 141 Q C -0.337 175.527 176.000 -0.226 0.000 1.077 141 Q CA -0.967 54.715 55.803 -0.202 0.000 0.820 141 Q CB 2.422 31.090 28.738 -0.117 0.000 1.347 141 Q HN 0.207 nan 8.270 nan 0.000 0.444 142 L N 2.790 124.062 121.223 0.082 0.000 2.360 142 L HA 0.222 4.279 4.340 -0.470 0.000 0.276 142 L C -0.637 176.299 176.870 0.111 0.000 1.121 142 L CA -0.621 54.351 54.840 0.221 0.000 0.845 142 L CB 0.472 42.707 42.059 0.294 0.000 1.143 142 L HN 0.571 nan 8.230 nan 0.000 0.452 143 I N 3.752 124.393 120.570 0.118 0.000 2.648 143 I HA -0.026 3.862 4.170 -0.470 0.000 0.284 143 I C 1.302 177.470 176.117 0.086 0.000 1.153 143 I CA 0.849 62.200 61.300 0.085 0.000 1.426 143 I CB 1.334 39.387 38.000 0.088 0.000 1.381 143 I HN 0.717 nan 8.210 nan 0.000 0.571 144 T N 0.918 115.505 114.554 0.056 0.000 3.041 144 T HA 0.298 4.365 4.350 -0.470 0.000 0.276 144 T C 0.462 175.177 174.700 0.025 0.000 0.948 144 T CA -0.364 61.766 62.100 0.050 0.000 0.885 144 T CB 0.161 69.059 68.868 0.050 0.000 1.175 144 T HN 0.355 nan 8.240 nan 0.000 0.529 145 E N 2.397 122.607 120.200 0.017 0.000 2.216 145 E HA 0.266 4.334 4.350 -0.470 0.000 0.279 145 E C -0.115 176.479 176.600 -0.010 0.000 0.997 145 E CA -0.212 56.191 56.400 0.004 0.000 0.817 145 E CB 0.770 30.474 29.700 0.007 0.000 1.096 145 E HN 0.236 nan 8.360 nan 0.000 0.393 146 E N 1.317 121.503 120.200 -0.023 0.000 2.297 146 E HA -0.242 3.826 4.350 -0.470 0.000 0.228 146 E C -0.301 176.255 176.600 -0.072 0.000 1.213 146 E CA 0.692 57.066 56.400 -0.043 0.000 0.712 146 E CB -1.126 28.559 29.700 -0.025 0.000 1.202 146 E HN 0.462 nan 8.360 nan 0.000 0.376 147 R N -0.257 120.198 120.500 -0.075 0.000 2.801 147 R HA 0.327 4.385 4.340 -0.470 0.000 0.273 147 R C 1.231 177.408 176.300 -0.204 0.000 1.080 147 R CA -0.235 55.809 56.100 -0.093 0.000 1.197 147 R CB 0.455 30.729 30.300 -0.044 0.000 1.109 147 R HN 0.116 nan 8.270 nan 0.000 0.535 148 I N 2.576 122.997 120.570 -0.249 0.000 2.474 148 I HA 0.131 4.018 4.170 -0.470 0.000 0.287 148 I C -1.767 174.085 176.117 -0.441 0.000 1.048 148 I CA -2.082 58.933 61.300 -0.475 0.000 1.383 148 I CB 0.953 38.658 38.000 -0.492 0.000 1.412 148 I HN 0.251 nan 8.210 nan 0.000 0.531 149 P HA 0.028 nan 4.420 nan 0.000 0.269 149 P C -1.033 176.078 177.300 -0.315 0.000 1.211 149 P CA -0.069 62.661 63.100 -0.618 0.000 0.781 149 P CB 0.376 31.299 31.700 -1.295 0.000 0.877 150 N N 1.267 119.865 118.700 -0.170 0.000 2.434 150 N HA 0.188 4.646 4.740 -0.470 0.000 0.266 150 N C 0.084 175.652 175.510 0.097 0.000 1.223 150 N CA -0.303 52.698 53.050 -0.081 0.000 0.972 150 N CB -0.131 38.313 38.487 -0.072 0.000 1.207 150 N HN 0.330 nan 8.380 nan 0.000 0.525 151 N N -1.702 117.034 118.700 0.060 0.000 2.725 151 N HA -0.175 4.283 4.740 -0.470 0.000 0.249 151 N C -1.025 174.634 175.510 0.248 0.000 1.103 151 N CA 0.746 53.869 53.050 0.122 0.000 0.707 151 N CB -1.806 36.760 38.487 0.132 0.000 1.043 151 N HN 0.479 nan 8.380 nan 0.000 0.553 152 T N 0.936 115.635 114.554 0.241 0.000 2.814 152 T HA 0.118 4.186 4.350 -0.470 0.000 0.297 152 T C 1.686 176.529 174.700 0.237 0.000 0.956 152 T CA -0.014 62.255 62.100 0.282 0.000 1.123 152 T CB 1.199 70.149 68.868 0.137 0.000 0.902 152 T HN 0.166 nan 8.240 nan 0.000 0.528 153 Q N 2.099 122.044 119.800 0.241 0.000 2.269 153 Q HA 0.109 4.167 4.340 -0.470 0.000 0.201 153 Q C 0.173 176.350 176.000 0.294 0.000 0.946 153 Q CA 0.537 56.510 55.803 0.284 0.000 0.877 153 Q CB 0.628 29.532 28.738 0.276 0.000 0.963 153 Q HN 0.693 nan 8.270 nan 0.000 0.472 154 W N -0.109 121.183 121.300 -0.014 0.000 3.818 154 W HA 0.513 4.891 4.660 -0.471 0.000 0.283 154 W C -2.353 174.110 176.519 -0.093 0.000 1.265 154 W CA -0.774 56.516 57.345 -0.092 0.000 1.226 154 W CB 0.983 30.322 29.460 -0.202 0.000 1.281 154 W HN -0.093 nan 8.180 nan 0.000 0.539 155 I N 4.418 124.115 120.570 -1.455 0.000 2.913 155 I HA 0.704 4.592 4.170 -0.470 0.000 0.302 155 I C -1.553 173.984 176.117 -0.967 0.000 1.246 155 I CA -0.107 60.602 61.300 -0.984 0.000 1.010 155 I CB 2.621 40.035 38.000 -0.977 0.000 1.259 155 I HN 0.347 nan 8.210 nan 0.000 0.434 156 T N 4.443 118.757 114.554 -0.400 0.000 3.047 156 T HA 0.397 4.465 4.350 -0.470 0.000 0.340 156 T C -1.704 173.040 174.700 0.074 0.000 1.421 156 T CA -0.310 61.751 62.100 -0.065 0.000 1.090 156 T CB 0.562 69.630 68.868 0.334 0.000 1.292 156 T HN 0.552 nan 8.240 nan 0.000 0.480 157 W N 2.728 124.094 121.300 0.111 0.000 2.141 157 W HA 0.525 4.903 4.660 -0.470 0.000 0.354 157 W C 1.297 177.727 176.519 -0.149 0.000 1.297 157 W CA -0.471 56.882 57.345 0.013 0.000 1.380 157 W CB 0.596 30.060 29.460 0.006 0.000 1.168 157 W HN 0.799 nan 8.180 nan 0.000 0.639 158 S N 0.443 115.958 115.700 -0.309 0.000 2.641 158 S HA 0.212 4.400 4.470 -0.470 0.000 0.261 158 S C -1.944 172.465 174.600 -0.318 0.000 1.257 158 S CA -0.896 56.657 58.200 -1.078 0.000 0.983 158 S CB 0.425 62.766 63.200 -1.433 0.000 0.990 158 S HN 0.256 nan 8.310 nan 0.000 0.572 159 P HA 0.123 nan 4.420 nan 0.000 0.229 159 P C -0.057 177.207 177.300 -0.061 0.000 1.160 159 P CA 0.467 63.547 63.100 -0.033 0.000 0.777 159 P CB -0.096 31.616 31.700 0.020 0.000 0.814 160 V N -6.529 113.296 119.914 -0.148 0.000 3.078 160 V HA 0.889 4.727 4.120 -0.470 0.000 0.311 160 V C 0.382 176.370 176.094 -0.176 0.000 1.138 160 V CA -0.424 61.803 62.300 -0.121 0.000 1.007 160 V CB 1.064 32.826 31.823 -0.101 0.000 1.045 160 V HN 0.351 nan 8.190 nan 0.000 0.432 161 G N 1.918 110.634 108.800 -0.139 0.000 2.539 161 G HA2 -0.183 3.495 3.960 -0.470 0.000 0.256 161 G HA3 -0.183 3.495 3.960 -0.470 0.000 0.256 161 G C 0.217 175.027 174.900 -0.150 0.000 1.233 161 G CA 0.694 45.680 45.100 -0.190 0.000 0.936 161 G HN 2.457 nan 8.290 nan 0.000 0.571 162 H N -0.265 118.792 119.070 -0.021 0.000 2.665 162 H HA 0.424 4.697 4.556 -0.470 0.000 0.248 162 H C 0.606 176.110 175.328 0.294 0.000 1.175 162 H CA -0.069 55.998 56.048 0.033 0.000 0.952 162 H CB 0.055 29.857 29.762 0.066 0.000 1.883 162 H HN 0.488 nan 8.280 nan 0.000 0.623 163 K N 1.532 121.941 120.400 0.015 0.000 2.276 163 K HA 0.379 4.417 4.320 -0.470 0.000 0.259 163 K C -0.361 176.333 176.600 0.156 0.000 1.001 163 K CA -0.089 56.195 56.287 -0.004 0.000 0.927 163 K CB 1.279 33.587 32.500 -0.320 0.000 0.969 163 K HN 0.139 nan 8.250 nan 0.000 0.490 164 L N 0.589 121.914 121.223 0.170 0.000 2.371 164 L HA 0.652 4.710 4.340 -0.470 0.000 0.262 164 L C -1.108 175.994 176.870 0.387 0.000 1.006 164 L CA -0.867 54.053 54.840 0.134 0.000 0.818 164 L CB 2.224 44.198 42.059 -0.141 0.000 1.354 164 L HN 0.719 nan 8.230 nan 0.000 0.415 165 A N 1.902 124.923 122.820 0.335 0.000 2.427 165 A HA 0.786 4.824 4.320 -0.470 0.000 0.298 165 A C -1.817 175.822 177.584 0.090 0.000 1.036 165 A CA -0.377 51.767 52.037 0.178 0.000 0.701 165 A CB 1.367 20.404 19.000 0.062 0.000 1.250 165 A HN 0.649 nan 8.150 nan 0.000 0.412 166 Y N -0.594 119.677 120.300 -0.049 0.000 2.597 166 Y HA 0.770 5.037 4.550 -0.471 0.000 0.340 166 Y C -1.465 174.459 175.900 0.040 0.000 1.097 166 Y CA -1.539 56.506 58.100 -0.093 0.000 1.037 166 Y CB 1.109 39.432 38.460 -0.228 0.000 1.305 166 Y HN 0.449 nan 8.280 nan 0.000 0.463 167 V N 2.706 122.768 119.914 0.246 0.000 2.417 167 V HA 0.362 4.200 4.120 -0.470 0.000 0.291 167 V C -1.482 174.843 176.094 0.385 0.000 1.024 167 V CA -0.479 61.949 62.300 0.213 0.000 0.861 167 V CB 1.296 33.179 31.823 0.100 0.000 0.985 167 V HN 0.851 nan 8.190 nan 0.000 0.436 168 W N 5.386 126.786 121.300 0.166 0.000 2.900 168 W HA 0.462 4.841 4.660 -0.469 0.000 0.336 168 W C 0.308 176.876 176.519 0.083 0.000 1.064 168 W CA -0.942 56.466 57.345 0.105 0.000 1.237 168 W CB 1.171 30.648 29.460 0.029 0.000 1.391 168 W HN 0.785 nan 8.180 nan 0.000 0.468 169 N N 5.124 123.504 118.700 -0.533 0.000 2.727 169 N HA -0.347 4.111 4.740 -0.470 0.000 0.249 169 N C 0.114 175.466 175.510 -0.263 0.000 1.048 169 N CA 1.030 53.746 53.050 -0.555 0.000 0.714 169 N CB -1.251 36.695 38.487 -0.902 0.000 0.959 169 N HN 0.820 nan 8.380 nan 0.000 0.544 170 N N -2.076 116.533 118.700 -0.152 0.000 2.778 170 N HA -0.193 4.265 4.740 -0.470 0.000 0.249 170 N C -1.263 174.177 175.510 -0.118 0.000 1.069 170 N CA 1.139 54.117 53.050 -0.120 0.000 0.831 170 N CB -0.319 38.041 38.487 -0.213 0.000 1.142 170 N HN 0.478 nan 8.380 nan 0.000 0.573 171 D N 0.251 120.592 120.400 -0.099 0.000 2.340 171 D HA 0.497 4.855 4.640 -0.470 0.000 0.240 171 D C 0.161 176.315 176.300 -0.243 0.000 1.001 171 D CA -0.397 53.462 54.000 -0.234 0.000 0.888 171 D CB 1.727 42.333 40.800 -0.324 0.000 1.310 171 D HN -0.003 nan 8.370 nan 0.000 0.474 172 I N 1.066 121.318 120.570 -0.531 0.000 2.566 172 I HA 0.314 4.202 4.170 -0.470 0.000 0.303 172 I C -0.785 174.845 176.117 -0.812 0.000 0.983 172 I CA -0.544 60.439 61.300 -0.528 0.000 1.235 172 I CB 0.791 38.412 38.000 -0.632 0.000 1.386 172 I HN 0.200 nan 8.210 nan 0.000 0.494 173 Y N 2.842 122.731 120.300 -0.684 0.000 2.553 173 Y HA 0.603 4.871 4.550 -0.471 0.000 0.347 173 Y C -0.572 174.985 175.900 -0.571 0.000 1.019 173 Y CA -0.916 56.737 58.100 -0.744 0.000 1.032 173 Y CB 2.089 39.799 38.460 -1.251 0.000 1.284 173 Y HN 0.072 nan 8.280 nan 0.000 0.466 174 V N 2.603 122.424 119.914 -0.154 0.000 2.531 174 V HA 0.451 4.289 4.120 -0.470 0.000 0.301 174 V C -0.891 175.258 176.094 0.093 0.000 1.034 174 V CA -1.366 60.935 62.300 0.002 0.000 0.865 174 V CB 1.862 33.706 31.823 0.034 0.000 0.995 174 V HN 0.608 nan 8.190 nan 0.000 0.424 175 K N 3.451 123.940 120.400 0.149 0.000 2.389 175 K HA 0.439 4.477 4.320 -0.470 0.000 0.261 175 K C 0.705 177.374 176.600 0.116 0.000 1.014 175 K CA -0.273 56.087 56.287 0.122 0.000 0.920 175 K CB 1.293 33.853 32.500 0.099 0.000 1.149 175 K HN 0.630 nan 8.250 nan 0.000 0.444 176 N N 1.469 120.229 118.700 0.101 0.000 2.142 176 N HA -0.096 4.362 4.740 -0.470 0.000 0.186 176 N C -0.186 175.388 175.510 0.106 0.000 1.023 176 N CA 0.904 54.005 53.050 0.085 0.000 0.852 176 N CB 0.389 38.919 38.487 0.070 0.000 0.998 176 N HN 0.452 nan 8.380 nan 0.000 0.424 177 E N -0.543 119.710 120.200 0.089 0.000 2.238 177 E HA 0.200 4.268 4.350 -0.470 0.000 0.267 177 E C -1.950 174.623 176.600 -0.044 0.000 0.887 177 E CA -1.907 54.534 56.400 0.069 0.000 0.769 177 E CB 1.925 31.674 29.700 0.081 0.000 1.187 177 E HN -0.083 nan 8.360 nan 0.000 0.416 178 P HA -0.146 nan 4.420 nan 0.000 0.218 178 P C 0.831 178.078 177.300 -0.089 0.000 1.148 178 P CA 1.223 64.194 63.100 -0.215 0.000 0.822 178 P CB 0.320 31.742 31.700 -0.464 0.000 0.784 179 N N -1.565 117.105 118.700 -0.049 0.000 2.373 179 N HA -0.013 4.445 4.740 -0.470 0.000 0.181 179 N C 0.319 175.831 175.510 0.002 0.000 1.082 179 N CA 0.523 53.570 53.050 -0.006 0.000 0.885 179 N CB -0.229 38.269 38.487 0.018 0.000 0.977 179 N HN 0.113 nan 8.380 nan 0.000 0.462 180 L N 1.090 122.318 121.223 0.007 0.000 2.360 180 L HA 0.271 4.329 4.340 -0.470 0.000 0.271 180 L C 0.906 177.789 176.870 0.021 0.000 1.057 180 L CA -0.440 54.413 54.840 0.020 0.000 0.803 180 L CB 1.527 43.606 42.059 0.035 0.000 1.207 180 L HN 0.073 nan 8.230 nan 0.000 0.445 181 S N 1.289 117.005 115.700 0.027 0.000 2.559 181 S HA 0.061 4.249 4.470 -0.470 0.000 0.282 181 S C 0.519 175.153 174.600 0.056 0.000 1.336 181 S CA -0.287 57.932 58.200 0.033 0.000 1.037 181 S CB 0.459 63.683 63.200 0.039 0.000 0.853 181 S HN 0.730 nan 8.310 nan 0.000 0.523 182 S N 2.227 117.972 115.700 0.076 0.000 2.681 182 S HA 0.489 4.677 4.470 -0.470 0.000 0.270 182 S C -0.492 174.179 174.600 0.118 0.000 1.209 182 S CA -0.637 57.635 58.200 0.120 0.000 0.988 182 S CB 1.045 64.366 63.200 0.202 0.000 1.006 182 S HN 0.822 nan 8.310 nan 0.000 0.558 183 Q N 0.497 120.355 119.800 0.096 0.000 2.320 183 Q HA 0.386 4.443 4.340 -0.470 0.000 0.268 183 Q C -0.711 175.249 176.000 -0.067 0.000 1.023 183 Q CA -0.412 55.425 55.803 0.058 0.000 0.744 183 Q CB 1.297 30.065 28.738 0.050 0.000 1.246 183 Q HN 0.732 nan 8.270 nan 0.000 0.462 184 R N 4.413 124.822 120.500 -0.152 0.000 2.489 184 R HA 0.103 4.161 4.340 -0.470 0.000 0.287 184 R C 0.111 176.097 176.300 -0.525 0.000 1.053 184 R CA 0.109 55.773 56.100 -0.728 0.000 1.036 184 R CB 0.429 30.073 30.300 -1.093 0.000 0.966 184 R HN 0.792 nan 8.270 nan 0.000 0.432 185 I N 1.903 122.041 120.570 -0.721 0.000 3.039 185 I HA 0.004 3.892 4.170 -0.470 0.000 0.270 185 I C 1.103 176.969 176.117 -0.418 0.000 1.150 185 I CA 0.845 61.889 61.300 -0.426 0.000 1.448 185 I CB -0.829 36.898 38.000 -0.455 0.000 1.197 185 I HN 0.662 nan 8.210 nan 0.000 0.450 186 T N -3.316 110.809 114.554 -0.715 0.000 2.912 186 T HA 0.396 4.464 4.350 -0.470 0.000 0.288 186 T C -0.545 173.691 174.700 -0.773 0.000 1.030 186 T CA -0.474 61.322 62.100 -0.506 0.000 1.020 186 T CB 1.953 70.557 68.868 -0.441 0.000 1.056 186 T HN 0.195 nan 8.240 nan 0.000 0.480 187 W N 0.255 121.441 121.300 -0.189 0.000 2.714 187 W HA 0.224 4.602 4.660 -0.470 0.000 0.353 187 W C 1.991 178.451 176.519 -0.098 0.000 0.999 187 W CA -0.074 57.193 57.345 -0.131 0.000 1.629 187 W CB 0.019 29.419 29.460 -0.100 0.000 1.106 187 W HN 0.903 nan 8.180 nan 0.000 0.545 188 T N -2.420 112.152 114.554 0.030 0.000 3.129 188 T HA 0.228 4.296 4.350 -0.470 0.000 0.251 188 T C 1.306 175.985 174.700 -0.035 0.000 1.117 188 T CA 0.228 62.336 62.100 0.013 0.000 1.034 188 T CB -0.314 68.563 68.868 0.015 0.000 0.968 188 T HN 0.032 nan 8.240 nan 0.000 0.526 189 G N 1.478 110.224 108.800 -0.089 0.000 2.150 189 G HA2 0.269 3.947 3.960 -0.470 0.000 0.250 189 G HA3 0.269 3.947 3.960 -0.470 0.000 0.250 189 G C -0.537 174.287 174.900 -0.127 0.000 1.179 189 G CA -0.280 44.745 45.100 -0.125 0.000 0.934 189 G HN 0.564 nan 8.290 nan 0.000 0.453 190 K N 2.122 122.427 120.400 -0.158 0.000 2.535 190 K HA 0.209 4.247 4.320 -0.470 0.000 0.250 190 K C -0.173 176.291 176.600 -0.227 0.000 0.948 190 K CA -0.712 55.486 56.287 -0.149 0.000 0.796 190 K CB 1.827 34.278 32.500 -0.082 0.000 1.216 190 K HN 0.612 nan 8.250 nan 0.000 0.432 191 E N 3.110 123.193 120.200 -0.196 0.000 2.465 191 E HA -0.129 3.939 4.350 -0.470 0.000 0.260 191 E C -0.292 176.219 176.600 -0.149 0.000 0.980 191 E CA 0.940 57.221 56.400 -0.198 0.000 0.927 191 E CB 0.129 29.750 29.700 -0.132 0.000 0.934 191 E HN 0.798 nan 8.360 nan 0.000 0.459 192 N N 1.426 120.039 118.700 -0.145 0.000 2.765 192 N HA -0.283 4.175 4.740 -0.470 0.000 0.248 192 N C 0.254 175.833 175.510 0.116 0.000 1.063 192 N CA 0.608 53.698 53.050 0.066 0.000 0.862 192 N CB -0.388 38.144 38.487 0.076 0.000 1.145 192 N HN 0.268 nan 8.380 nan 0.000 0.581 193 V N -0.678 119.218 119.914 -0.030 0.000 3.264 193 V HA 0.270 4.108 4.120 -0.470 0.000 0.217 193 V C 0.482 176.662 176.094 0.144 0.000 1.236 193 V CA 0.365 62.714 62.300 0.082 0.000 1.287 193 V CB 0.539 32.374 31.823 0.020 0.000 1.241 193 V HN 0.065 nan 8.190 nan 0.000 0.518 194 I N 1.132 121.693 120.570 -0.015 0.000 2.354 194 I HA 0.425 4.312 4.170 -0.470 0.000 0.292 194 I C -1.442 174.668 176.117 -0.011 0.000 0.989 194 I CA -0.348 61.002 61.300 0.084 0.000 1.188 194 I CB 1.006 39.028 38.000 0.036 0.000 1.342 194 I HN 0.288 nan 8.210 nan 0.000 0.457 195 Y N 4.798 125.175 120.300 0.129 0.000 2.338 195 Y HA 0.391 4.658 4.550 -0.472 0.000 0.328 195 Y C 0.255 176.230 175.900 0.124 0.000 0.965 195 Y CA -0.897 57.286 58.100 0.139 0.000 1.208 195 Y CB 0.988 39.584 38.460 0.227 0.000 1.132 195 Y HN 0.416 nan 8.280 nan 0.000 0.469 196 N N 1.822 120.610 118.700 0.147 0.000 2.408 196 N HA 0.391 4.849 4.740 -0.470 0.000 0.280 196 N C 0.913 176.419 175.510 -0.007 0.000 1.002 196 N CA 0.454 53.549 53.050 0.074 0.000 0.907 196 N CB 1.981 40.400 38.487 -0.113 0.000 1.161 196 N HN 0.935 nan 8.380 nan 0.000 0.488 197 G N 0.320 109.151 108.800 0.052 0.000 2.205 197 G HA2 -0.274 3.404 3.960 -0.470 0.000 0.261 197 G HA3 -0.274 3.404 3.960 -0.470 0.000 0.261 197 G C -0.014 174.788 174.900 -0.163 0.000 0.980 197 G CA 0.811 45.866 45.100 -0.075 0.000 0.632 197 G HN 0.810 nan 8.290 nan 0.000 0.533 198 V N -1.911 117.954 119.914 -0.081 0.000 2.971 198 V HA 0.892 4.730 4.120 -0.470 0.000 0.309 198 V C 0.393 176.478 176.094 -0.014 0.000 1.130 198 V CA 0.100 62.227 62.300 -0.289 0.000 0.964 198 V CB 1.366 32.746 31.823 -0.738 0.000 1.029 198 V HN 1.264 nan 8.190 nan 0.000 0.427 199 T N 0.608 115.057 114.554 -0.175 0.000 2.748 199 T HA 0.371 4.439 4.350 -0.470 0.000 0.304 199 T C 0.061 174.442 174.700 -0.531 0.000 1.041 199 T CA 0.315 62.077 62.100 -0.563 0.000 1.033 199 T CB 0.695 69.244 68.868 -0.532 0.000 0.995 199 T HN 1.156 nan 8.240 nan 0.000 0.536 200 D N -0.383 119.451 120.400 -0.943 0.000 2.507 200 D HA 0.061 4.419 4.640 -0.470 0.000 0.280 200 D C 0.923 177.071 176.300 -0.254 0.000 1.219 200 D CA -1.139 52.380 54.000 -0.801 0.000 1.085 200 D CB -0.056 40.242 40.800 -0.836 0.000 1.134 200 D HN 0.711 nan 8.370 nan 0.000 0.583 201 W N -0.205 120.961 121.300 -0.224 0.000 2.358 201 W HA -0.134 4.248 4.660 -0.463 0.000 0.303 201 W C 2.038 178.402 176.519 -0.259 0.000 1.208 201 W CA 1.658 58.887 57.345 -0.193 0.000 1.274 201 W CB -0.231 29.060 29.460 -0.283 0.000 1.138 201 W HN 0.168 nan 8.180 nan 0.000 0.515 202 V N -0.092 119.880 119.914 0.096 0.000 2.548 202 V HA -0.259 3.578 4.120 -0.470 0.000 0.249 202 V C 1.734 177.630 176.094 -0.330 0.000 1.055 202 V CA 1.753 64.007 62.300 -0.076 0.000 1.065 202 V CB -0.650 31.125 31.823 -0.080 0.000 0.681 202 V HN 0.258 nan 8.190 nan 0.000 0.462 203 Y N 0.448 120.460 120.300 -0.479 0.000 2.395 203 Y HA -0.078 4.189 4.550 -0.471 0.000 0.293 203 Y C 2.530 178.133 175.900 -0.496 0.000 1.123 203 Y CA 1.808 59.545 58.100 -0.604 0.000 1.227 203 Y CB 0.067 37.870 38.460 -1.095 0.000 1.012 203 Y HN 0.368 nan 8.280 nan 0.000 0.552 204 E N 0.279 120.299 120.200 -0.300 0.000 2.028 204 E HA -0.252 3.816 4.350 -0.470 0.000 0.190 204 E C 1.935 178.441 176.600 -0.157 0.000 0.984 204 E CA 1.376 57.672 56.400 -0.172 0.000 0.800 204 E CB 0.078 29.712 29.700 -0.111 0.000 0.758 204 E HN 0.377 nan 8.360 nan 0.000 0.448 205 E N 0.248 120.169 120.200 -0.465 0.000 2.112 205 E HA -0.142 3.926 4.350 -0.470 0.000 0.190 205 E C 1.569 178.064 176.600 -0.176 0.000 0.979 205 E CA 1.388 57.532 56.400 -0.428 0.000 0.814 205 E CB 0.216 29.291 29.700 -1.043 0.000 0.762 205 E HN 0.235 nan 8.360 nan 0.000 0.460 206 E N -0.823 119.256 120.200 -0.201 0.000 2.413 206 E HA 0.090 4.158 4.350 -0.470 0.000 0.203 206 E C 1.801 178.357 176.600 -0.073 0.000 0.957 206 E CA 0.459 56.809 56.400 -0.083 0.000 0.950 206 E CB 0.845 30.469 29.700 -0.126 0.000 0.957 206 E HN 0.193 nan 8.360 nan 0.000 0.497 207 V N 0.088 119.935 119.914 -0.110 0.000 2.721 207 V HA 0.022 3.860 4.120 -0.470 0.000 0.236 207 V C 1.580 177.907 176.094 0.389 0.000 1.116 207 V CA 0.769 63.101 62.300 0.052 0.000 1.148 207 V CB -0.240 31.512 31.823 -0.118 0.000 0.886 207 V HN 0.028 nan 8.190 nan 0.000 0.490 208 F N 0.753 120.703 119.950 -0.001 0.000 2.698 208 F HA 0.283 4.528 4.527 -0.469 0.000 0.295 208 F C 1.652 177.402 175.800 -0.083 0.000 1.124 208 F CA -0.148 57.863 58.000 0.019 0.000 1.426 208 F CB -1.010 38.033 39.000 0.071 0.000 1.120 208 F HN 0.133 nan 8.300 nan 0.000 0.583 209 S N 0.291 116.031 115.700 0.067 0.000 3.521 209 S HA 0.011 4.199 4.470 -0.470 0.000 0.362 209 S C 0.216 174.350 174.600 -0.777 0.000 1.044 209 S CA 0.509 58.594 58.200 -0.193 0.000 1.091 209 S CB -1.814 61.352 63.200 -0.056 0.000 0.908 209 S HN 0.668 nan 8.310 nan 0.000 0.473 210 A N -0.605 122.018 122.820 -0.329 0.000 2.608 210 A HA 0.704 4.741 4.320 -0.470 0.000 0.292 210 A C -0.329 177.284 177.584 0.047 0.000 1.066 210 A CA -0.488 51.429 52.037 -0.201 0.000 0.676 210 A CB 0.367 19.308 19.000 -0.099 0.000 1.277 210 A HN 0.369 nan 8.150 nan 0.000 0.413 211 Y N 1.442 121.672 120.300 -0.116 0.000 2.436 211 Y HA 0.242 4.511 4.550 -0.468 0.000 0.288 211 Y C 1.492 177.209 175.900 -0.304 0.000 1.112 211 Y CA 0.918 58.949 58.100 -0.116 0.000 1.220 211 Y CB -0.014 38.434 38.460 -0.019 0.000 1.073 211 Y HN 0.682 nan 8.280 nan 0.000 0.552 212 S N 0.744 116.054 115.700 -0.649 0.000 2.549 212 S HA 0.395 4.583 4.470 -0.470 0.000 0.286 212 S C 0.330 174.535 174.600 -0.658 0.000 1.314 212 S CA 0.330 57.789 58.200 -1.235 0.000 1.062 212 S CB 0.265 62.352 63.200 -1.856 0.000 0.865 212 S HN 0.485 nan 8.310 nan 0.000 0.498 213 A N 4.364 126.759 122.820 -0.708 0.000 2.843 213 A HA 0.508 4.545 4.320 -0.470 0.000 0.248 213 A C -0.970 176.082 177.584 -0.886 0.000 0.904 213 A CA -0.602 51.130 52.037 -0.508 0.000 1.091 213 A CB -0.255 18.798 19.000 0.088 0.000 1.208 213 A HN 0.859 nan 8.150 nan 0.000 0.476 214 L N -4.753 115.690 121.223 -1.300 0.000 2.434 214 L HA 0.881 4.938 4.340 -0.470 0.000 0.260 214 L C -1.364 175.049 176.870 -0.762 0.000 0.983 214 L CA -1.610 52.794 54.840 -0.727 0.000 0.820 214 L CB 0.776 42.660 42.059 -0.292 0.000 1.361 214 L HN 0.222 nan 8.230 nan 0.000 0.410 215 W N 1.298 122.680 121.300 0.136 0.000 2.756 215 W HA 0.370 4.748 4.660 -0.471 0.000 0.333 215 W C -1.552 175.239 176.519 0.454 0.000 1.025 215 W CA -0.658 56.880 57.345 0.322 0.000 1.246 215 W CB 1.708 31.377 29.460 0.348 0.000 1.358 215 W HN 0.607 nan 8.180 nan 0.000 0.444 216 W N 2.309 123.879 121.300 0.451 0.000 2.251 216 W HA 0.284 4.662 4.660 -0.470 0.000 0.329 216 W C 1.185 177.609 176.519 -0.159 0.000 1.234 216 W CA 0.120 57.589 57.345 0.207 0.000 1.228 216 W CB 1.033 30.561 29.460 0.114 0.000 1.135 216 W HN 0.177 nan 8.180 nan 0.000 0.576 217 S N 2.370 117.839 115.700 -0.385 0.000 2.614 217 S HA 0.213 4.401 4.470 -0.470 0.000 0.265 217 S C -1.813 172.512 174.600 -0.458 0.000 1.303 217 S CA -0.997 56.347 58.200 -1.427 0.000 1.000 217 S CB 1.072 63.453 63.200 -1.364 0.000 0.935 217 S HN 0.280 nan 8.310 nan 0.000 0.551 218 P HA -0.169 nan 4.420 nan 0.000 0.219 218 P C 0.856 178.108 177.300 -0.081 0.000 1.161 218 P CA 1.644 64.697 63.100 -0.078 0.000 0.909 218 P CB -0.071 31.625 31.700 -0.007 0.000 0.793 219 N N -2.576 116.053 118.700 -0.117 0.000 2.270 219 N HA 0.157 4.614 4.740 -0.470 0.000 0.198 219 N C 0.793 176.208 175.510 -0.159 0.000 1.117 219 N CA 0.712 53.693 53.050 -0.116 0.000 0.845 219 N CB -0.349 38.081 38.487 -0.096 0.000 0.980 219 N HN 0.073 nan 8.380 nan 0.000 0.486 220 G N -0.990 107.719 108.800 -0.152 0.000 2.143 220 G HA2 -0.313 3.364 3.960 -0.470 0.000 0.248 220 G HA3 -0.313 3.364 3.960 -0.470 0.000 0.248 220 G C 1.113 176.003 174.900 -0.016 0.000 0.991 220 G CA 0.962 46.000 45.100 -0.102 0.000 0.689 220 G HN 0.372 nan 8.290 nan 0.000 0.522 221 T N -0.290 114.141 114.554 -0.205 0.000 2.737 221 T HA 0.225 4.293 4.350 -0.470 0.000 0.265 221 T C 0.753 175.174 174.700 -0.465 0.000 1.038 221 T CA 1.384 63.212 62.100 -0.453 0.000 1.144 221 T CB -0.075 68.284 68.868 -0.849 0.000 0.866 221 T HN 0.327 nan 8.240 nan 0.000 0.434 222 F N 0.277 120.272 119.950 0.074 0.000 2.492 222 F HA 0.651 4.896 4.527 -0.471 0.000 0.327 222 F C -0.356 175.556 175.800 0.187 0.000 1.079 222 F CA -1.808 56.291 58.000 0.166 0.000 0.967 222 F CB 1.258 40.428 39.000 0.283 0.000 1.169 222 F HN -0.150 nan 8.300 nan 0.000 0.472 223 L N 2.819 124.228 121.223 0.311 0.000 2.377 223 L HA 0.837 4.894 4.340 -0.470 0.000 0.270 223 L C -0.752 176.232 176.870 0.189 0.000 0.991 223 L CA -0.578 54.265 54.840 0.005 0.000 0.851 223 L CB 0.612 42.359 42.059 -0.520 0.000 1.218 223 L HN 0.677 nan 8.230 nan 0.000 0.420 224 A N 4.627 127.642 122.820 0.325 0.000 2.312 224 A HA 0.799 4.837 4.320 -0.470 0.000 0.326 224 A C -1.338 176.359 177.584 0.189 0.000 1.172 224 A CA -0.287 51.813 52.037 0.106 0.000 0.821 224 A CB 0.636 19.651 19.000 0.025 0.000 1.166 224 A HN 0.872 nan 8.150 nan 0.000 0.493 225 Y N -1.374 118.776 120.300 -0.250 0.000 2.655 225 Y HA 0.810 5.078 4.550 -0.471 0.000 0.336 225 Y C -0.350 175.453 175.900 -0.163 0.000 1.154 225 Y CA -1.167 56.909 58.100 -0.040 0.000 1.055 225 Y CB 0.931 39.326 38.460 -0.109 0.000 1.295 225 Y HN 0.938 nan 8.280 nan 0.000 0.465 226 A N 1.531 124.421 122.820 0.115 0.000 2.355 226 A HA 0.677 4.714 4.320 -0.470 0.000 0.324 226 A C -1.279 176.177 177.584 -0.214 0.000 1.117 226 A CA -0.858 51.089 52.037 -0.150 0.000 0.785 226 A CB 1.802 20.791 19.000 -0.018 0.000 1.254 226 A HN 0.820 nan 8.150 nan 0.000 0.453 227 Q N 0.760 120.348 119.800 -0.353 0.000 2.342 227 Q HA 0.664 4.722 4.340 -0.470 0.000 0.267 227 Q C -2.060 173.643 176.000 -0.495 0.000 1.038 227 Q CA -0.434 55.271 55.803 -0.163 0.000 0.832 227 Q CB 1.259 30.107 28.738 0.182 0.000 1.323 227 Q HN 0.598 nan 8.270 nan 0.000 0.448 228 F N 2.126 122.128 119.950 0.085 0.000 2.507 228 F HA 0.393 4.639 4.527 -0.468 0.000 0.325 228 F C 0.207 176.097 175.800 0.150 0.000 1.116 228 F CA -0.931 57.075 58.000 0.009 0.000 0.930 228 F CB 1.621 40.511 39.000 -0.182 0.000 1.146 228 F HN 0.422 nan 8.300 nan 0.000 0.447 229 N N 2.054 120.917 118.700 0.273 0.000 2.476 229 N HA 0.204 4.662 4.740 -0.470 0.000 0.257 229 N C -0.629 175.016 175.510 0.226 0.000 0.970 229 N CA -0.182 53.006 53.050 0.229 0.000 0.938 229 N CB 1.205 39.781 38.487 0.148 0.000 1.144 229 N HN 0.606 nan 8.380 nan 0.000 0.500 230 D N 1.171 121.728 120.400 0.263 0.000 2.369 230 D HA 0.109 4.467 4.640 -0.470 0.000 0.211 230 D C 1.287 177.682 176.300 0.160 0.000 1.077 230 D CA 0.208 54.340 54.000 0.221 0.000 0.842 230 D CB 0.605 41.588 40.800 0.304 0.000 0.947 230 D HN 0.480 nan 8.370 nan 0.000 0.509 231 T N 0.581 115.215 114.554 0.134 0.000 2.567 231 T HA -0.274 3.794 4.350 -0.470 0.000 0.261 231 T C 1.378 176.123 174.700 0.074 0.000 1.123 231 T CA 1.519 63.674 62.100 0.091 0.000 1.166 231 T CB -0.186 68.725 68.868 0.073 0.000 0.860 231 T HN 0.304 nan 8.240 nan 0.000 0.436 232 E N 0.356 120.598 120.200 0.071 0.000 2.476 232 E HA 0.137 4.205 4.350 -0.470 0.000 0.191 232 E C -0.304 176.332 176.600 0.060 0.000 1.064 232 E CA -0.293 56.140 56.400 0.056 0.000 0.866 232 E CB 0.311 30.039 29.700 0.045 0.000 0.952 232 E HN 0.231 nan 8.360 nan 0.000 0.492 233 V N 3.189 123.149 119.914 0.077 0.000 2.488 233 V HA 0.111 3.949 4.120 -0.470 0.000 0.277 233 V C -2.015 174.119 176.094 0.067 0.000 1.046 233 V CA -1.654 60.693 62.300 0.078 0.000 0.986 233 V CB 0.676 32.557 31.823 0.097 0.000 0.989 233 V HN 0.023 nan 8.190 nan 0.000 0.475 234 P HA 0.228 nan 4.420 nan 0.000 0.270 234 P C -0.761 176.560 177.300 0.033 0.000 1.223 234 P CA -0.169 62.955 63.100 0.040 0.000 0.785 234 P CB 0.478 32.203 31.700 0.042 0.000 0.923 235 L N 2.367 123.589 121.223 -0.002 0.000 2.295 235 L HA 0.463 4.520 4.340 -0.470 0.000 0.285 235 L C 0.312 177.120 176.870 -0.103 0.000 1.035 235 L CA -0.956 53.862 54.840 -0.037 0.000 0.806 235 L CB 1.041 43.074 42.059 -0.044 0.000 1.214 235 L HN 0.295 nan 8.230 nan 0.000 0.426 236 I N 2.688 123.149 120.570 -0.182 0.000 2.365 236 I HA 0.258 4.146 4.170 -0.470 0.000 0.291 236 I C -0.303 175.647 176.117 -0.279 0.000 1.004 236 I CA 0.377 61.477 61.300 -0.332 0.000 1.311 236 I CB 0.795 38.359 38.000 -0.727 0.000 1.401 236 I HN 0.586 nan 8.210 nan 0.000 0.491 237 E N 7.225 127.288 120.200 -0.229 0.000 2.288 237 E HA 0.596 4.664 4.350 -0.470 0.000 0.268 237 E C -1.774 174.752 176.600 -0.122 0.000 0.885 237 E CA -0.671 55.585 56.400 -0.240 0.000 0.767 237 E CB 2.245 31.837 29.700 -0.181 0.000 1.220 237 E HN 0.586 nan 8.360 nan 0.000 0.427 238 Y N -2.291 117.907 120.300 -0.171 0.000 2.641 238 Y HA 0.477 4.731 4.550 -0.494 0.000 0.333 238 Y C -0.994 174.822 175.900 -0.140 0.000 1.174 238 Y CA -1.266 56.741 58.100 -0.156 0.000 1.057 238 Y CB 0.718 39.086 38.460 -0.153 0.000 1.322 238 Y HN 0.259 nan 8.280 nan 0.000 0.457 239 S N 1.907 117.600 115.700 -0.012 0.000 2.565 239 S HA 0.493 4.680 4.470 -0.470 0.000 0.274 239 S C -1.381 173.097 174.600 -0.203 0.000 1.309 239 S CA -0.379 57.669 58.200 -0.254 0.000 1.043 239 S CB 0.612 63.482 63.200 -0.550 0.000 0.939 239 S HN 0.550 nan 8.310 nan 0.000 0.504 240 F N 2.587 122.291 119.950 -0.410 0.000 2.610 240 F HA 0.386 4.634 4.527 -0.464 0.000 0.355 240 F C -0.210 175.412 175.800 -0.296 0.000 1.140 240 F CA -0.960 56.913 58.000 -0.211 0.000 1.037 240 F CB 0.492 39.470 39.000 -0.037 0.000 1.287 240 F HN 0.640 nan 8.300 nan 0.000 0.457 241 Y N 2.561 122.722 120.300 -0.233 0.000 2.421 241 Y HA -0.004 4.178 4.550 -0.614 0.000 0.292 241 Y C 1.853 177.697 175.900 -0.093 0.000 1.136 241 Y CA 1.146 59.160 58.100 -0.142 0.000 1.255 241 Y CB -0.855 37.495 38.460 -0.183 0.000 0.991 241 Y HN 0.711 nan 8.280 nan 0.000 0.552 242 S N -0.243 115.398 115.700 -0.099 0.000 3.251 242 S HA -0.302 3.886 4.470 -0.470 0.000 0.633 242 S C -0.029 174.613 174.600 0.070 0.000 2.788 242 S CA 0.440 58.708 58.200 0.113 0.000 3.086 242 S CB -1.322 62.050 63.200 0.287 0.000 0.327 242 S HN 0.631 nan 8.310 nan 0.000 1.718 243 D N 1.271 121.735 120.400 0.107 0.000 2.424 243 D HA 0.104 4.462 4.640 -0.470 0.000 0.244 243 D C 1.451 177.783 176.300 0.053 0.000 1.134 243 D CA 0.668 54.710 54.000 0.070 0.000 0.881 243 D CB 0.852 41.697 40.800 0.075 0.000 1.191 243 D HN 0.615 nan 8.370 nan 0.000 0.445 244 E N 1.891 122.109 120.200 0.031 0.000 2.312 244 E HA -0.323 3.745 4.350 -0.470 0.000 0.209 244 E C 1.456 178.069 176.600 0.022 0.000 1.047 244 E CA 1.798 58.209 56.400 0.018 0.000 0.840 244 E CB 0.061 29.764 29.700 0.006 0.000 0.738 244 E HN 0.529 nan 8.360 nan 0.000 0.478 245 S N -0.381 115.338 115.700 0.031 0.000 2.527 245 S HA 0.027 4.215 4.470 -0.470 0.000 0.222 245 S C 1.001 175.626 174.600 0.041 0.000 0.985 245 S CA -0.260 57.958 58.200 0.030 0.000 0.921 245 S CB 0.016 63.235 63.200 0.032 0.000 0.772 245 S HN 0.228 nan 8.310 nan 0.000 0.529 246 L N 2.244 123.500 121.223 0.056 0.000 2.410 246 L HA 0.187 4.245 4.340 -0.470 0.000 0.273 246 L C 1.520 178.427 176.870 0.060 0.000 1.144 246 L CA 0.046 54.930 54.840 0.073 0.000 0.863 246 L CB 1.152 43.267 42.059 0.093 0.000 1.140 246 L HN 0.402 nan 8.230 nan 0.000 0.463 247 Q N 3.719 123.566 119.800 0.078 0.000 2.187 247 Q HA -0.061 3.997 4.340 -0.470 0.000 0.199 247 Q C -0.768 175.175 176.000 -0.095 0.000 0.957 247 Q CA 1.153 56.963 55.803 0.013 0.000 0.857 247 Q CB 0.290 29.074 28.738 0.076 0.000 0.929 247 Q HN 0.584 nan 8.270 nan 0.000 0.453 248 Y N 0.260 120.568 120.300 0.013 0.000 2.350 248 Y HA 0.384 4.651 4.550 -0.473 0.000 0.338 248 Y C -2.124 173.772 175.900 -0.007 0.000 0.961 248 Y CA -2.943 55.159 58.100 0.002 0.000 1.100 248 Y CB 1.470 39.924 38.460 -0.011 0.000 1.179 248 Y HN 0.077 nan 8.280 nan 0.000 0.454 249 P HA 0.054 nan 4.420 nan 0.000 0.267 249 P C -0.845 176.438 177.300 -0.027 0.000 1.200 249 P CA -0.415 62.660 63.100 -0.042 0.000 0.772 249 P CB 0.553 32.123 31.700 -0.218 0.000 0.855 250 K N 0.310 120.690 120.400 -0.033 0.000 2.106 250 K HA 0.579 4.617 4.320 -0.470 0.000 0.246 250 K C -0.778 175.766 176.600 -0.092 0.000 0.987 250 K CA -0.630 55.640 56.287 -0.029 0.000 0.904 250 K CB 0.615 33.120 32.500 0.007 0.000 1.071 250 K HN 0.188 nan 8.250 nan 0.000 0.453 251 T N 1.515 116.000 114.554 -0.115 0.000 2.786 251 T HA 0.244 4.312 4.350 -0.470 0.000 0.283 251 T C -0.630 173.929 174.700 -0.235 0.000 0.992 251 T CA -0.711 61.282 62.100 -0.178 0.000 0.954 251 T CB 1.260 70.037 68.868 -0.152 0.000 0.934 251 T HN 0.374 nan 8.240 nan 0.000 0.440 252 V N 5.215 124.890 119.914 -0.399 0.000 2.498 252 V HA 0.439 4.276 4.120 -0.470 0.000 0.279 252 V C 0.323 176.120 176.094 -0.496 0.000 1.048 252 V CA -0.483 61.529 62.300 -0.480 0.000 0.967 252 V CB 0.940 32.340 31.823 -0.705 0.000 0.988 252 V HN 0.705 nan 8.190 nan 0.000 0.473 253 R N 5.441 125.781 120.500 -0.266 0.000 2.439 253 R HA 0.691 4.749 4.340 -0.470 0.000 0.310 253 R C -1.286 174.967 176.300 -0.078 0.000 0.955 253 R CA -0.475 55.514 56.100 -0.186 0.000 0.853 253 R CB 1.858 32.087 30.300 -0.118 0.000 1.171 253 R HN 0.601 nan 8.270 nan 0.000 0.449 254 I N 3.676 124.192 120.570 -0.091 0.000 2.436 254 I HA 0.352 4.239 4.170 -0.470 0.000 0.289 254 I C -2.365 173.760 176.117 0.012 0.000 1.010 254 I CA -2.773 58.526 61.300 -0.001 0.000 1.098 254 I CB 2.457 40.382 38.000 -0.125 0.000 1.266 254 I HN 0.233 nan 8.210 nan 0.000 0.434 255 P HA 0.080 nan 4.420 nan 0.000 0.271 255 P C -1.466 175.898 177.300 0.106 0.000 1.233 255 P CA 0.205 63.370 63.100 0.108 0.000 0.764 255 P CB 0.060 31.861 31.700 0.170 0.000 0.825 256 Y N 6.340 126.575 120.300 -0.108 0.000 2.330 256 Y HA 0.433 4.709 4.550 -0.457 0.000 0.324 256 Y C -2.901 172.941 175.900 -0.098 0.000 1.093 256 Y CA -2.889 55.094 58.100 -0.194 0.000 1.103 256 Y CB 1.878 40.089 38.460 -0.415 0.000 1.183 256 Y HN 0.278 nan 8.280 nan 0.000 0.433 257 P HA 0.334 nan 4.420 nan 0.000 0.292 257 P C -1.232 176.111 177.300 0.073 0.000 1.287 257 P CA -0.370 62.761 63.100 0.051 0.000 0.800 257 P CB 2.039 33.747 31.700 0.014 0.000 0.945 258 K N 1.572 122.078 120.400 0.178 0.000 2.132 258 K HA 0.591 4.629 4.320 -0.470 0.000 0.241 258 K C 0.229 176.916 176.600 0.144 0.000 1.000 258 K CA -0.952 55.460 56.287 0.208 0.000 0.911 258 K CB 0.961 33.604 32.500 0.238 0.000 1.093 258 K HN 0.460 nan 8.250 nan 0.000 0.460 259 A N 0.815 123.746 122.820 0.184 0.000 2.572 259 A HA 0.210 4.247 4.320 -0.470 0.000 0.256 259 A C 1.233 178.849 177.584 0.053 0.000 1.041 259 A CA 1.323 53.458 52.037 0.163 0.000 0.790 259 A CB -1.468 17.684 19.000 0.254 0.000 0.947 259 A HN 0.932 nan 8.150 nan 0.000 0.518 260 G N 1.430 110.256 108.800 0.043 0.000 2.320 260 G HA2 0.066 3.744 3.960 -0.470 0.000 0.242 260 G HA3 0.066 3.744 3.960 -0.470 0.000 0.242 260 G C 0.915 175.826 174.900 0.019 0.000 1.033 260 G CA 0.857 45.959 45.100 0.003 0.000 0.620 260 G HN 2.298 nan 8.290 nan 0.000 0.517 261 A N 0.162 123.007 122.820 0.041 0.000 2.407 261 A HA 0.536 4.573 4.320 -0.470 0.000 0.257 261 A C 0.585 178.194 177.584 0.042 0.000 1.131 261 A CA 1.068 53.131 52.037 0.045 0.000 0.803 261 A CB 0.062 19.102 19.000 0.067 0.000 1.083 261 A HN 0.650 nan 8.150 nan 0.000 0.512 262 E N 0.452 120.677 120.200 0.042 0.000 2.338 262 E HA 0.227 4.295 4.350 -0.470 0.000 0.272 262 E C -0.422 176.213 176.600 0.057 0.000 1.029 262 E CA 0.090 56.514 56.400 0.040 0.000 0.872 262 E CB 0.283 30.007 29.700 0.039 0.000 1.015 262 E HN 0.546 nan 8.360 nan 0.000 0.417 263 N N 3.715 122.450 118.700 0.058 0.000 2.477 263 N HA 0.430 4.888 4.740 -0.470 0.000 0.284 263 N C -2.418 173.162 175.510 0.116 0.000 1.182 263 N CA -1.514 51.593 53.050 0.096 0.000 0.949 263 N CB 0.820 39.374 38.487 0.111 0.000 1.204 263 N HN 0.355 nan 8.380 nan 0.000 0.526 264 P HA 0.098 nan 4.420 nan 0.000 0.272 264 P C -0.301 177.124 177.300 0.209 0.000 1.240 264 P CA -0.089 63.131 63.100 0.200 0.000 0.791 264 P CB 0.452 32.296 31.700 0.241 0.000 0.978 265 T N -2.387 112.271 114.554 0.172 0.000 2.949 265 T HA 0.636 4.704 4.350 -0.470 0.000 0.287 265 T C -0.402 174.375 174.700 0.128 0.000 1.034 265 T CA -0.839 61.323 62.100 0.105 0.000 1.018 265 T CB 1.479 70.376 68.868 0.049 0.000 1.135 265 T HN 0.356 nan 8.240 nan 0.000 0.532 266 V N -0.010 119.944 119.914 0.067 0.000 3.007 266 V HA 0.793 4.631 4.120 -0.470 0.000 0.311 266 V C -1.758 174.339 176.094 0.004 0.000 1.120 266 V CA -0.894 61.379 62.300 -0.044 0.000 0.980 266 V CB 2.170 33.960 31.823 -0.055 0.000 1.033 266 V HN 1.094 nan 8.190 nan 0.000 0.429 267 K N 3.950 124.278 120.400 -0.120 0.000 2.477 267 K HA 0.570 4.608 4.320 -0.470 0.000 0.255 267 K C -1.988 174.389 176.600 -0.370 0.000 0.952 267 K CA -0.455 55.718 56.287 -0.191 0.000 0.826 267 K CB 2.872 35.299 32.500 -0.121 0.000 1.331 267 K HN 0.554 nan 8.250 nan 0.000 0.437 268 F N 2.271 121.766 119.950 -0.759 0.000 2.529 268 F HA 0.581 4.825 4.527 -0.471 0.000 0.320 268 F C -1.559 173.563 175.800 -1.130 0.000 1.118 268 F CA -0.681 56.890 58.000 -0.715 0.000 0.915 268 F CB 0.928 39.706 39.000 -0.369 0.000 1.161 268 F HN 0.393 nan 8.300 nan 0.000 0.445 269 F N 4.144 123.411 119.950 -1.139 0.000 2.588 269 F HA 0.695 4.939 4.527 -0.471 0.000 0.314 269 F C -0.979 174.378 175.800 -0.738 0.000 1.069 269 F CA -1.280 56.266 58.000 -0.757 0.000 0.931 269 F CB 2.019 40.592 39.000 -0.712 0.000 1.260 269 F HN 0.091 nan 8.300 nan 0.000 0.465 270 V N 3.167 123.001 119.914 -0.134 0.000 2.407 270 V HA 0.481 4.318 4.120 -0.470 0.000 0.291 270 V C -0.562 175.668 176.094 0.226 0.000 1.018 270 V CA -0.814 61.435 62.300 -0.085 0.000 0.842 270 V CB 1.474 32.999 31.823 -0.496 0.000 0.996 270 V HN 0.550 nan 8.190 nan 0.000 0.426 271 V N 3.180 123.271 119.914 0.295 0.000 2.481 271 V HA 0.346 4.184 4.120 -0.470 0.000 0.286 271 V C 0.177 176.556 176.094 0.475 0.000 1.042 271 V CA -0.449 62.052 62.300 0.335 0.000 0.928 271 V CB 1.881 33.833 31.823 0.214 0.000 0.986 271 V HN 0.888 nan 8.190 nan 0.000 0.462 272 D N 3.230 123.920 120.400 0.483 0.000 2.494 272 D HA 0.057 4.415 4.640 -0.470 0.000 0.217 272 D C 1.504 177.944 176.300 0.235 0.000 1.153 272 D CA 0.091 54.389 54.000 0.496 0.000 0.954 272 D CB 1.168 42.276 40.800 0.513 0.000 1.034 272 D HN 0.771 nan 8.370 nan 0.000 0.518 273 T N 1.166 115.822 114.554 0.169 0.000 2.996 273 T HA -0.149 3.919 4.350 -0.470 0.000 0.271 273 T C 1.632 176.384 174.700 0.086 0.000 1.126 273 T CA 0.732 62.910 62.100 0.130 0.000 1.103 273 T CB -0.108 68.879 68.868 0.198 0.000 0.870 273 T HN 0.308 nan 8.240 nan 0.000 0.528 274 R N 0.983 121.509 120.500 0.044 0.000 2.120 274 R HA -0.038 4.020 4.340 -0.470 0.000 0.234 274 R C 2.653 178.988 176.300 0.058 0.000 1.123 274 R CA 1.819 57.935 56.100 0.026 0.000 0.975 274 R CB -0.567 29.727 30.300 -0.010 0.000 0.866 274 R HN 0.716 nan 8.270 nan 0.000 0.446 275 T N -1.302 113.303 114.554 0.086 0.000 3.100 275 T HA 0.179 4.247 4.350 -0.470 0.000 0.253 275 T C 0.898 175.645 174.700 0.079 0.000 1.118 275 T CA -0.182 61.969 62.100 0.085 0.000 1.058 275 T CB -0.023 68.907 68.868 0.104 0.000 0.953 275 T HN 0.002 nan 8.240 nan 0.000 0.515 276 L N 2.460 123.732 121.223 0.081 0.000 2.615 276 L HA 0.221 4.279 4.340 -0.470 0.000 0.284 276 L C 0.424 177.334 176.870 0.067 0.000 1.237 276 L CA 0.396 55.281 54.840 0.074 0.000 0.905 276 L CB 0.178 42.282 42.059 0.075 0.000 1.149 276 L HN 0.329 nan 8.230 nan 0.000 0.499 277 S N 3.826 119.566 115.700 0.066 0.000 2.604 277 S HA 0.286 4.474 4.470 -0.470 0.000 0.296 277 S C -1.921 172.717 174.600 0.063 0.000 1.097 277 S CA -0.945 57.291 58.200 0.060 0.000 0.883 277 S CB 1.592 64.824 63.200 0.053 0.000 1.081 277 S HN 0.396 nan 8.310 nan 0.000 0.448 278 P HA -0.176 nan 4.420 nan 0.000 0.219 278 P C 0.256 177.589 177.300 0.056 0.000 1.161 278 P CA 1.601 64.742 63.100 0.068 0.000 0.909 278 P CB -0.151 31.584 31.700 0.060 0.000 0.793 279 N N -0.129 118.596 118.700 0.041 0.000 2.451 279 N HA 0.360 4.818 4.740 -0.470 0.000 0.264 279 N C -0.017 175.507 175.510 0.023 0.000 1.167 279 N CA 0.042 53.107 53.050 0.025 0.000 0.898 279 N CB 0.667 39.166 38.487 0.020 0.000 1.176 279 N HN 0.172 nan 8.380 nan 0.000 0.507 280 A N 0.219 123.059 122.820 0.033 0.000 2.435 280 A HA 0.633 4.671 4.320 -0.470 0.000 0.304 280 A C 0.319 177.925 177.584 0.037 0.000 1.064 280 A CA -0.587 51.472 52.037 0.035 0.000 0.727 280 A CB 1.127 20.155 19.000 0.048 0.000 1.284 280 A HN 0.175 nan 8.150 nan 0.000 0.415 281 S N 0.132 115.851 115.700 0.031 0.000 2.624 281 S HA 0.522 4.710 4.470 -0.470 0.000 0.263 281 S C 0.022 174.661 174.600 0.065 0.000 1.287 281 S CA -0.536 57.682 58.200 0.030 0.000 0.990 281 S CB 0.856 64.064 63.200 0.015 0.000 0.950 281 S HN 0.928 nan 8.310 nan 0.000 0.561 282 V N 1.998 121.956 119.914 0.075 0.000 2.427 282 V HA 0.225 4.063 4.120 -0.470 0.000 0.268 282 V C 0.437 176.598 176.094 0.111 0.000 1.046 282 V CA -0.370 61.985 62.300 0.093 0.000 0.970 282 V CB 0.408 32.282 31.823 0.086 0.000 1.001 282 V HN 0.981 nan 8.190 nan 0.000 0.476 283 T N 5.240 119.880 114.554 0.144 0.000 2.727 283 T HA 0.423 4.491 4.350 -0.470 0.000 0.295 283 T C 0.279 175.127 174.700 0.247 0.000 0.915 283 T CA -0.127 62.087 62.100 0.190 0.000 1.066 283 T CB 0.384 69.378 68.868 0.210 0.000 0.891 283 T HN 0.933 nan 8.240 nan 0.000 0.516 284 S N 3.192 119.044 115.700 0.254 0.000 2.627 284 S HA 0.757 4.945 4.470 -0.470 0.000 0.283 284 S C -1.578 173.259 174.600 0.395 0.000 1.127 284 S CA -0.989 57.399 58.200 0.313 0.000 0.863 284 S CB 1.671 65.007 63.200 0.226 0.000 1.121 284 S HN 0.588 nan 8.310 nan 0.000 0.479 285 Y N 0.543 121.022 120.300 0.299 0.000 2.477 285 Y HA 0.522 4.790 4.550 -0.470 0.000 0.347 285 Y C -0.658 175.368 175.900 0.210 0.000 0.981 285 Y CA -0.520 57.752 58.100 0.286 0.000 1.033 285 Y CB 2.014 40.718 38.460 0.406 0.000 1.245 285 Y HN 0.885 nan 8.280 nan 0.000 0.455 286 Q N 6.016 125.504 119.800 -0.520 0.000 2.314 286 Q HA 0.534 4.592 4.340 -0.470 0.000 0.259 286 Q C -1.433 174.344 176.000 -0.372 0.000 0.951 286 Q CA -0.580 54.958 55.803 -0.442 0.000 0.909 286 Q CB 0.983 29.508 28.738 -0.355 0.000 1.236 286 Q HN 0.732 nan 8.270 nan 0.000 0.444 287 I N 4.731 125.231 120.570 -0.118 0.000 2.339 287 I HA 0.293 4.181 4.170 -0.470 0.000 0.290 287 I C 0.086 176.200 176.117 -0.005 0.000 0.994 287 I CA -0.945 60.392 61.300 0.062 0.000 1.191 287 I CB 1.465 39.570 38.000 0.176 0.000 1.343 287 I HN 0.377 nan 8.210 nan 0.000 0.458 288 V N 5.108 124.949 119.914 -0.122 0.000 2.834 288 V HA 0.672 4.509 4.120 -0.470 0.000 0.313 288 V C -2.413 173.308 176.094 -0.621 0.000 1.060 288 V CA -2.108 59.985 62.300 -0.345 0.000 0.989 288 V CB 1.185 32.826 31.823 -0.303 0.000 1.041 288 V HN 0.517 nan 8.190 nan 0.000 0.459 289 P HA 0.341 nan 4.420 nan 0.000 0.272 289 P C -2.760 174.086 177.300 -0.756 0.000 1.230 289 P CA -1.214 60.893 63.100 -1.654 0.000 0.788 289 P CB -0.273 30.136 31.700 -2.153 0.000 0.949 290 P HA -0.009 nan 4.420 nan 0.000 0.270 290 P C 0.884 178.024 177.300 -0.268 0.000 1.227 290 P CA 0.156 63.097 63.100 -0.265 0.000 0.788 290 P CB 0.084 31.700 31.700 -0.141 0.000 0.926 291 A N 1.697 124.406 122.820 -0.185 0.000 1.908 291 A HA -0.217 3.821 4.320 -0.470 0.000 0.218 291 A C 2.122 179.609 177.584 -0.163 0.000 1.181 291 A CA 2.451 54.385 52.037 -0.170 0.000 0.627 291 A CB -1.961 16.968 19.000 -0.120 0.000 0.818 291 A HN 0.632 nan 8.150 nan 0.000 0.445 292 S N -0.843 114.788 115.700 -0.115 0.000 2.462 292 S HA -0.097 4.090 4.470 -0.470 0.000 0.243 292 S C 1.391 175.880 174.600 -0.186 0.000 1.003 292 S CA 1.598 59.725 58.200 -0.122 0.000 0.970 292 S CB -0.457 62.755 63.200 0.020 0.000 0.762 292 S HN 0.332 nan 8.310 nan 0.000 0.510 293 V N 0.265 120.074 119.914 -0.175 0.000 3.307 293 V HA 0.290 4.128 4.120 -0.470 0.000 0.244 293 V C 2.047 177.955 176.094 -0.311 0.000 1.196 293 V CA 0.277 62.462 62.300 -0.193 0.000 1.132 293 V CB -0.285 31.450 31.823 -0.147 0.000 0.875 293 V HN 0.401 nan 8.190 nan 0.000 0.468 294 L N 1.186 122.173 121.223 -0.393 0.000 2.191 294 L HA -0.145 3.913 4.340 -0.470 0.000 0.212 294 L C 2.474 179.225 176.870 -0.198 0.000 1.103 294 L CA 1.786 56.387 54.840 -0.398 0.000 0.769 294 L CB -0.220 41.621 42.059 -0.364 0.000 0.908 294 L HN 0.469 nan 8.230 nan 0.000 0.438 295 I N -2.389 118.082 120.570 -0.164 0.000 2.300 295 I HA -0.106 3.782 4.170 -0.470 0.000 0.252 295 I C 1.201 177.272 176.117 -0.077 0.000 1.119 295 I CA 1.310 62.541 61.300 -0.114 0.000 1.384 295 I CB -0.917 37.010 38.000 -0.121 0.000 1.062 295 I HN 0.214 nan 8.210 nan 0.000 0.426 296 G N -0.039 108.725 108.800 -0.060 0.000 3.021 296 G HA2 0.328 4.006 3.960 -0.470 0.000 0.290 296 G HA3 0.328 4.006 3.960 -0.470 0.000 0.290 296 G C -1.690 173.238 174.900 0.047 0.000 1.291 296 G CA -0.489 44.596 45.100 -0.025 0.000 0.834 296 G HN 0.062 nan 8.290 nan 0.000 0.564 297 D N 1.322 121.711 120.400 -0.018 0.000 2.425 297 D HA 0.365 4.723 4.640 -0.470 0.000 0.247 297 D C 0.355 176.585 176.300 -0.116 0.000 1.147 297 D CA 0.521 54.462 54.000 -0.098 0.000 0.879 297 D CB 0.498 41.192 40.800 -0.176 0.000 1.179 297 D HN 0.491 nan 8.370 nan 0.000 0.456 298 H N -0.252 118.674 119.070 -0.241 0.000 2.960 298 H HA 0.550 4.824 4.556 -0.469 0.000 0.303 298 H C -1.202 173.981 175.328 -0.242 0.000 1.412 298 H CA -0.835 55.092 56.048 -0.202 0.000 1.227 298 H CB 0.599 30.369 29.762 0.014 0.000 1.912 298 H HN 0.272 nan 8.280 nan 0.000 0.583 299 Y N 0.038 120.576 120.300 0.397 0.000 2.470 299 Y HA 0.296 4.564 4.550 -0.470 0.000 0.341 299 Y C -0.476 175.731 175.900 0.512 0.000 1.021 299 Y CA -1.033 57.299 58.100 0.386 0.000 1.025 299 Y CB 1.978 40.502 38.460 0.107 0.000 1.266 299 Y HN 0.499 nan 8.280 nan 0.000 0.448 300 L N 3.952 125.609 121.223 0.723 0.000 2.319 300 L HA 0.421 4.479 4.340 -0.470 0.000 0.280 300 L C 0.491 177.583 176.870 0.370 0.000 1.099 300 L CA -0.134 54.791 54.840 0.142 0.000 0.828 300 L CB 0.436 42.470 42.059 -0.042 0.000 1.150 300 L HN 0.966 nan 8.230 nan 0.000 0.442 301 C N 1.843 121.166 119.300 0.038 0.000 3.642 301 C HA 0.848 5.026 4.460 -0.470 0.000 0.305 301 C C 0.552 175.422 174.990 -0.200 0.000 1.492 301 C CA 0.020 59.103 59.018 0.109 0.000 1.809 301 C CB -0.711 27.093 27.740 0.108 0.000 2.639 301 C HN 1.005 nan 8.230 nan 0.000 0.672 302 G N 0.318 108.861 108.800 -0.429 0.000 2.733 302 G HA2 0.582 4.260 3.960 -0.470 0.000 0.297 302 G HA3 0.582 4.260 3.960 -0.470 0.000 0.297 302 G C -1.829 172.623 174.900 -0.746 0.000 1.452 302 G CA -0.190 44.597 45.100 -0.522 0.000 0.940 302 G HN 0.443 nan 8.290 nan 0.000 0.547 303 V N 0.747 120.175 119.914 -0.809 0.000 2.686 303 V HA 0.822 4.659 4.120 -0.470 0.000 0.306 303 V C -0.436 175.248 176.094 -0.683 0.000 1.065 303 V CA -0.723 60.949 62.300 -1.046 0.000 0.894 303 V CB 2.218 32.914 31.823 -1.879 0.000 1.004 303 V HN 0.902 nan 8.190 nan 0.000 0.424 304 T N 2.924 117.127 114.554 -0.585 0.000 3.170 304 T HA 0.306 4.374 4.350 -0.470 0.000 0.315 304 T C -0.865 173.649 174.700 -0.311 0.000 0.967 304 T CA -0.413 61.502 62.100 -0.308 0.000 1.024 304 T CB 0.605 69.370 68.868 -0.172 0.000 1.018 304 T HN 0.556 nan 8.240 nan 0.000 0.449 305 W N 2.540 123.773 121.300 -0.112 0.000 2.210 305 W HA 0.295 4.673 4.660 -0.470 0.000 0.330 305 W C 1.142 177.579 176.519 -0.136 0.000 1.334 305 W CA -0.287 57.013 57.345 -0.074 0.000 1.227 305 W CB 0.683 30.188 29.460 0.074 0.000 1.178 305 W HN 0.467 nan 8.180 nan 0.000 0.560 306 V N 1.436 121.406 119.914 0.093 0.000 2.806 306 V HA 0.138 3.976 4.120 -0.470 0.000 0.239 306 V C 0.744 176.907 176.094 0.114 0.000 1.113 306 V CA 1.286 63.519 62.300 -0.111 0.000 1.137 306 V CB -0.084 31.435 31.823 -0.507 0.000 0.865 306 V HN 0.654 nan 8.190 nan 0.000 0.482 307 T N -4.164 110.529 114.554 0.231 0.000 2.762 307 T HA 0.327 4.395 4.350 -0.470 0.000 0.301 307 T C 0.340 175.237 174.700 0.328 0.000 1.299 307 T CA -0.494 61.741 62.100 0.225 0.000 1.005 307 T CB 2.038 71.013 68.868 0.178 0.000 1.377 307 T HN -0.052 nan 8.240 nan 0.000 0.504 308 E N 0.564 120.900 120.200 0.226 0.000 2.209 308 E HA -0.117 3.951 4.350 -0.470 0.000 0.196 308 E C 1.141 178.062 176.600 0.535 0.000 0.993 308 E CA 1.402 57.960 56.400 0.263 0.000 0.819 308 E CB 0.086 29.865 29.700 0.133 0.000 0.745 308 E HN 0.786 nan 8.360 nan 0.000 0.477 309 E N -0.048 120.391 120.200 0.398 0.000 2.501 309 E HA 0.126 4.194 4.350 -0.470 0.000 0.201 309 E C 0.484 177.302 176.600 0.362 0.000 1.016 309 E CA -0.173 56.410 56.400 0.305 0.000 0.920 309 E CB 0.758 30.571 29.700 0.188 0.000 1.023 309 E HN -0.095 nan 8.360 nan 0.000 0.474 310 R N 1.507 122.300 120.500 0.488 0.000 2.515 310 R HA 0.465 4.523 4.340 -0.470 0.000 0.291 310 R C -1.746 174.694 176.300 0.233 0.000 1.046 310 R CA -0.381 55.913 56.100 0.323 0.000 0.914 310 R CB 1.214 31.590 30.300 0.127 0.000 1.191 310 R HN 0.022 nan 8.270 nan 0.000 0.435 311 I N 2.213 122.802 120.570 0.032 0.000 2.646 311 I HA 0.395 4.283 4.170 -0.470 0.000 0.299 311 I C -1.060 174.785 176.117 -0.453 0.000 1.036 311 I CA -0.533 60.499 61.300 -0.446 0.000 1.074 311 I CB 2.352 39.708 38.000 -1.073 0.000 1.258 311 I HN 0.645 nan 8.210 nan 0.000 0.430 312 S N 7.555 122.913 115.700 -0.570 0.000 2.530 312 S HA 0.602 4.790 4.470 -0.470 0.000 0.322 312 S C -0.991 173.277 174.600 -0.554 0.000 1.085 312 S CA -0.690 57.235 58.200 -0.457 0.000 1.096 312 S CB 0.509 63.490 63.200 -0.365 0.000 0.988 312 S HN 0.491 nan 8.310 nan 0.000 0.466 313 L N 4.263 125.170 121.223 -0.526 0.000 2.322 313 L HA 0.584 4.641 4.340 -0.470 0.000 0.279 313 L C 0.065 176.596 176.870 -0.565 0.000 1.036 313 L CA -0.634 53.759 54.840 -0.744 0.000 0.807 313 L CB 1.776 43.361 42.059 -0.790 0.000 1.226 313 L HN 0.643 nan 8.230 nan 0.000 0.433 314 Q N 2.181 121.564 119.800 -0.694 0.000 2.339 314 Q HA 0.355 4.413 4.340 -0.470 0.000 0.268 314 Q C -1.844 173.898 176.000 -0.429 0.000 1.027 314 Q CA -0.573 54.988 55.803 -0.403 0.000 0.759 314 Q CB 1.356 29.915 28.738 -0.298 0.000 1.244 314 Q HN 0.464 nan 8.270 nan 0.000 0.464 315 W N 3.753 125.012 121.300 -0.068 0.000 2.655 315 W HA 0.731 5.108 4.660 -0.471 0.000 0.358 315 W C -0.387 176.179 176.519 0.078 0.000 1.100 315 W CA -0.657 56.704 57.345 0.027 0.000 1.195 315 W CB 1.237 30.690 29.460 -0.011 0.000 1.403 315 W HN 0.501 nan 8.180 nan 0.000 0.589 316 I N 0.876 121.695 120.570 0.415 0.000 2.775 316 I HA 0.398 4.286 4.170 -0.470 0.000 0.295 316 I C -0.356 175.957 176.117 0.327 0.000 1.287 316 I CA -1.148 60.348 61.300 0.327 0.000 1.029 316 I CB 1.502 39.662 38.000 0.266 0.000 1.282 316 I HN 0.435 nan 8.210 nan 0.000 0.426 317 R N 4.129 124.787 120.500 0.264 0.000 2.738 317 R HA 0.226 4.283 4.340 -0.470 0.000 0.268 317 R C 1.049 177.392 176.300 0.072 0.000 1.062 317 R CA -0.249 55.931 56.100 0.133 0.000 1.158 317 R CB 0.434 30.779 30.300 0.074 0.000 1.046 317 R HN 0.574 nan 8.270 nan 0.000 0.493 318 R N 1.411 121.848 120.500 -0.106 0.000 2.200 318 R HA -0.170 3.888 4.340 -0.470 0.000 0.234 318 R C 1.601 177.938 176.300 0.061 0.000 1.127 318 R CA 1.720 57.720 56.100 -0.167 0.000 0.989 318 R CB -0.157 29.996 30.300 -0.245 0.000 0.869 318 R HN 0.746 nan 8.270 nan 0.000 0.459 319 A N 0.192 123.037 122.820 0.041 0.000 2.014 319 A HA -0.122 3.916 4.320 -0.470 0.000 0.218 319 A C 0.911 178.537 177.584 0.069 0.000 1.163 319 A CA 1.244 53.309 52.037 0.046 0.000 0.652 319 A CB -0.017 19.000 19.000 0.027 0.000 0.808 319 A HN 0.590 nan 8.150 nan 0.000 0.449 320 Q N -2.117 117.756 119.800 0.122 0.000 2.460 320 Q HA -0.223 3.835 4.340 -0.470 0.000 0.248 320 Q C -0.036 176.036 176.000 0.120 0.000 0.847 320 Q CA 0.823 56.700 55.803 0.123 0.000 1.214 320 Q CB -1.740 27.026 28.738 0.046 0.000 1.523 320 Q HN 0.961 nan 8.270 nan 0.000 0.602 321 N N -0.547 118.232 118.700 0.131 0.000 2.200 321 N HA 0.104 4.562 4.740 -0.470 0.000 0.224 321 N C -0.829 174.781 175.510 0.167 0.000 1.179 321 N CA 0.009 53.127 53.050 0.114 0.000 0.877 321 N CB 0.401 38.933 38.487 0.076 0.000 1.072 321 N HN 0.323 nan 8.380 nan 0.000 0.519 322 Y N 1.360 121.687 120.300 0.045 0.000 2.301 322 Y HA 0.498 4.766 4.550 -0.471 0.000 0.325 322 Y C -1.160 174.778 175.900 0.062 0.000 1.103 322 Y CA -1.133 56.992 58.100 0.042 0.000 1.182 322 Y CB 0.900 39.375 38.460 0.026 0.000 1.139 322 Y HN 0.155 nan 8.280 nan 0.000 0.443 323 S N 6.199 121.847 115.700 -0.087 0.000 2.634 323 S HA 0.868 5.056 4.470 -0.470 0.000 0.296 323 S C -1.355 173.166 174.600 -0.131 0.000 1.104 323 S CA -0.790 57.422 58.200 0.020 0.000 0.920 323 S CB 2.441 65.668 63.200 0.044 0.000 1.111 323 S HN 0.778 nan 8.310 nan 0.000 0.493 324 I N 0.507 121.087 120.570 0.017 0.000 2.827 324 I HA 0.556 4.444 4.170 -0.470 0.000 0.298 324 I C -1.873 174.272 176.117 0.048 0.000 1.235 324 I CA -1.389 59.911 61.300 0.001 0.000 1.021 324 I CB 1.832 39.864 38.000 0.053 0.000 1.259 324 I HN 0.784 nan 8.210 nan 0.000 0.427 325 I N 5.019 125.599 120.570 0.017 0.000 2.354 325 I HA 0.307 4.195 4.170 -0.470 0.000 0.292 325 I C -1.253 174.893 176.117 0.047 0.000 0.989 325 I CA -0.314 60.975 61.300 -0.019 0.000 1.188 325 I CB 1.569 39.492 38.000 -0.128 0.000 1.342 325 I HN 0.445 nan 8.210 nan 0.000 0.457 326 D N 7.643 128.062 120.400 0.032 0.000 2.440 326 D HA 0.416 4.774 4.640 -0.470 0.000 0.239 326 D C -0.673 175.618 176.300 -0.015 0.000 1.084 326 D CA -0.279 53.747 54.000 0.042 0.000 0.843 326 D CB 1.106 41.966 40.800 0.100 0.000 1.097 326 D HN 0.270 nan 8.370 nan 0.000 0.531 327 I N 4.363 124.947 120.570 0.023 0.000 2.287 327 I HA 0.245 4.133 4.170 -0.470 0.000 0.290 327 I C -0.185 175.950 176.117 0.029 0.000 1.069 327 I CA -0.627 60.674 61.300 0.002 0.000 1.237 327 I CB 0.522 38.576 38.000 0.090 0.000 1.418 327 I HN 0.274 nan 8.210 nan 0.000 0.481 328 C N 4.427 123.743 119.300 0.026 0.000 2.365 328 C HA 0.413 4.590 4.460 -0.470 0.000 0.351 328 C C 0.136 175.249 174.990 0.206 0.000 1.240 328 C CA -0.743 58.347 59.018 0.120 0.000 2.062 328 C CB 0.492 28.339 27.740 0.179 0.000 2.387 328 C HN 0.585 nan 8.230 nan 0.000 0.537 329 D N 0.389 120.864 120.400 0.125 0.000 2.248 329 D HA 0.205 4.563 4.640 -0.470 0.000 0.246 329 D C -0.731 175.463 176.300 -0.177 0.000 1.027 329 D CA -0.230 53.800 54.000 0.050 0.000 0.853 329 D CB 1.374 42.180 40.800 0.010 0.000 1.243 329 D HN 0.604 nan 8.370 nan 0.000 0.462 330 Y N 1.538 121.488 120.300 -0.584 0.000 2.496 330 Y HA 0.108 4.376 4.550 -0.470 0.000 0.334 330 Y C -0.027 175.552 175.900 -0.534 0.000 1.080 330 Y CA -0.255 57.210 58.100 -1.058 0.000 1.355 330 Y CB 0.553 38.258 38.460 -1.258 0.000 1.193 330 Y HN 0.158 nan 8.280 nan 0.000 0.523 331 D N 5.366 125.128 120.400 -1.065 0.000 2.428 331 D HA 0.109 4.467 4.640 -0.470 0.000 0.221 331 D C 0.644 176.419 176.300 -0.874 0.000 1.123 331 D CA -0.025 53.550 54.000 -0.708 0.000 0.869 331 D CB 0.661 41.174 40.800 -0.477 0.000 1.032 331 D HN 0.764 nan 8.370 nan 0.000 0.506 332 E N 1.404 121.276 120.200 -0.546 0.000 2.171 332 E HA -0.224 3.844 4.350 -0.470 0.000 0.197 332 E C 1.644 178.124 176.600 -0.200 0.000 0.997 332 E CA 1.443 57.672 56.400 -0.286 0.000 0.810 332 E CB 0.099 29.777 29.700 -0.037 0.000 0.738 332 E HN 0.615 nan 8.360 nan 0.000 0.467 333 S N -0.111 115.473 115.700 -0.194 0.000 2.428 333 S HA -0.093 4.095 4.470 -0.470 0.000 0.230 333 S C 2.024 176.555 174.600 -0.115 0.000 1.014 333 S CA 1.421 59.550 58.200 -0.117 0.000 0.957 333 S CB -0.092 63.051 63.200 -0.095 0.000 0.784 333 S HN 0.333 nan 8.310 nan 0.000 0.499 334 T N -4.348 110.092 114.554 -0.190 0.000 3.004 334 T HA 0.555 4.623 4.350 -0.470 0.000 0.266 334 T C 1.483 176.093 174.700 -0.149 0.000 0.986 334 T CA 0.624 62.643 62.100 -0.134 0.000 0.902 334 T CB 0.204 68.999 68.868 -0.122 0.000 1.118 334 T HN 1.142 nan 8.240 nan 0.000 0.522 335 G N 2.865 111.475 108.800 -0.316 0.000 2.184 335 G HA2 -0.284 3.394 3.960 -0.470 0.000 0.264 335 G HA3 -0.284 3.394 3.960 -0.470 0.000 0.264 335 G C 0.165 174.872 174.900 -0.321 0.000 0.975 335 G CA 0.251 45.222 45.100 -0.215 0.000 0.642 335 G HN 0.987 nan 8.290 nan 0.000 0.536 336 R N -1.109 119.034 120.500 -0.595 0.000 2.596 336 R HA 0.627 4.685 4.340 -0.470 0.000 0.267 336 R C -0.875 174.844 176.300 -0.968 0.000 1.026 336 R CA -1.029 54.471 56.100 -1.000 0.000 1.087 336 R CB 0.896 30.623 30.300 -0.956 0.000 1.132 336 R HN 0.131 nan 8.270 nan 0.000 0.531 337 W N 1.779 122.522 121.300 -0.928 0.000 2.282 337 W HA 0.434 4.813 4.660 -0.469 0.000 0.322 337 W C -0.405 175.994 176.519 -0.200 0.000 1.011 337 W CA -0.515 56.630 57.345 -0.334 0.000 1.392 337 W CB 0.556 29.949 29.460 -0.113 0.000 1.215 337 W HN 0.363 nan 8.180 nan 0.000 0.394 338 I N 2.689 123.232 120.570 -0.044 0.000 2.472 338 I HA 0.291 4.179 4.170 -0.470 0.000 0.290 338 I C 0.818 176.960 176.117 0.041 0.000 1.016 338 I CA -0.124 61.173 61.300 -0.004 0.000 1.348 338 I CB 1.043 39.004 38.000 -0.065 0.000 1.417 338 I HN 0.186 nan 8.210 nan 0.000 0.521 339 S N 2.561 118.285 115.700 0.039 0.000 2.745 339 S HA 0.704 4.892 4.470 -0.470 0.000 0.292 339 S C -0.471 174.134 174.600 0.008 0.000 1.133 339 S CA -0.595 57.622 58.200 0.028 0.000 0.998 339 S CB 1.736 64.947 63.200 0.017 0.000 1.087 339 S HN 0.711 nan 8.310 nan 0.000 0.551 340 S N -0.135 115.566 115.700 0.001 0.000 2.548 340 S HA 0.246 4.434 4.470 -0.470 0.000 0.278 340 S C 0.349 174.936 174.600 -0.023 0.000 1.150 340 S CA -0.733 57.462 58.200 -0.008 0.000 0.907 340 S CB 0.642 63.843 63.200 0.001 0.000 1.108 340 S HN 0.291 nan 8.310 nan 0.000 0.459 341 V N 3.814 123.710 119.914 -0.032 0.000 2.568 341 V HA -0.096 3.742 4.120 -0.470 0.000 0.253 341 V C 2.853 178.906 176.094 -0.070 0.000 1.072 341 V CA 2.428 64.700 62.300 -0.048 0.000 1.084 341 V CB -1.460 30.340 31.823 -0.039 0.000 0.676 341 V HN 0.946 nan 8.190 nan 0.000 0.469 342 A N 0.203 122.996 122.820 -0.046 0.000 1.930 342 A HA -0.132 3.906 4.320 -0.470 0.000 0.217 342 A C 2.223 179.768 177.584 -0.065 0.000 1.175 342 A CA 1.156 53.167 52.037 -0.044 0.000 0.627 342 A CB -0.347 18.651 19.000 -0.004 0.000 0.815 342 A HN 0.525 nan 8.150 nan 0.000 0.443 343 R N 0.053 120.537 120.500 -0.027 0.000 2.391 343 R HA 0.119 4.176 4.340 -0.470 0.000 0.249 343 R C -0.429 175.835 176.300 -0.061 0.000 0.957 343 R CA 0.039 56.166 56.100 0.044 0.000 1.093 343 R CB 0.100 30.463 30.300 0.105 0.000 1.156 343 R HN 0.644 nan 8.270 nan 0.000 0.526 344 Q N 0.284 119.924 119.800 -0.267 0.000 2.282 344 Q HA 0.295 4.353 4.340 -0.470 0.000 0.260 344 Q C -1.028 174.648 176.000 -0.540 0.000 0.964 344 Q CA -0.511 55.152 55.803 -0.233 0.000 0.880 344 Q CB 1.947 30.619 28.738 -0.110 0.000 1.286 344 Q HN 0.210 nan 8.270 nan 0.000 0.445 345 H N 0.904 119.983 119.070 0.015 0.000 2.744 345 H HA 0.427 4.701 4.556 -0.470 0.000 0.339 345 H C -0.680 174.615 175.328 -0.055 0.000 1.004 345 H CA -0.394 55.665 56.048 0.018 0.000 1.257 345 H CB 1.132 30.921 29.762 0.045 0.000 1.552 345 H HN 0.438 nan 8.280 nan 0.000 0.522 346 I N 2.008 122.579 120.570 0.001 0.000 2.499 346 I HA 0.278 4.165 4.170 -0.470 0.000 0.296 346 I C 0.146 176.201 176.117 -0.104 0.000 0.992 346 I CA -0.327 60.890 61.300 -0.139 0.000 1.297 346 I CB 1.499 39.378 38.000 -0.201 0.000 1.410 346 I HN 0.625 nan 8.210 nan 0.000 0.507 347 E N 6.476 126.560 120.200 -0.194 0.000 2.263 347 E HA 0.622 4.690 4.350 -0.470 0.000 0.268 347 E C -1.565 174.934 176.600 -0.167 0.000 0.884 347 E CA -0.653 55.683 56.400 -0.107 0.000 0.766 347 E CB 2.056 31.720 29.700 -0.060 0.000 1.196 347 E HN 0.551 nan 8.360 nan 0.000 0.416 348 I N 0.503 121.019 120.570 -0.090 0.000 2.994 348 I HA 0.684 4.572 4.170 -0.470 0.000 0.306 348 I C -1.175 174.940 176.117 -0.004 0.000 1.195 348 I CA -0.641 60.628 61.300 -0.052 0.000 1.001 348 I CB 2.402 40.387 38.000 -0.026 0.000 1.244 348 I HN 0.318 nan 8.210 nan 0.000 0.437 349 S N 0.779 116.486 115.700 0.012 0.000 2.532 349 S HA 0.605 4.793 4.470 -0.470 0.000 0.299 349 S C 0.407 175.007 174.600 0.000 0.000 1.105 349 S CA 0.161 58.359 58.200 -0.002 0.000 1.018 349 S CB 1.278 64.457 63.200 -0.035 0.000 1.021 349 S HN 1.010 nan 8.310 nan 0.000 0.483 350 T N -0.089 114.465 114.554 0.000 0.000 3.001 350 T HA 0.081 4.149 4.350 -0.470 0.000 0.251 350 T C 1.372 176.065 174.700 -0.012 0.000 1.040 350 T CA 0.801 62.902 62.100 0.002 0.000 0.985 350 T CB -0.254 68.619 68.868 0.009 0.000 1.011 350 T HN 0.661 nan 8.240 nan 0.000 0.509 351 T N -2.356 112.191 114.554 -0.013 0.000 3.001 351 T HA 0.641 4.709 4.350 -0.470 0.000 0.251 351 T C 1.116 175.730 174.700 -0.142 0.000 1.040 351 T CA 0.424 62.521 62.100 -0.004 0.000 0.985 351 T CB 0.507 69.423 68.868 0.080 0.000 1.011 351 T HN 0.639 nan 8.240 nan 0.000 0.509 352 G N 0.646 109.234 108.800 -0.354 0.000 2.637 352 G HA2 0.438 4.115 3.960 -0.470 0.000 0.112 352 G HA3 0.438 4.115 3.960 -0.470 0.000 0.112 352 G C -1.736 172.940 174.900 -0.374 0.000 1.181 352 G CA -0.459 44.248 45.100 -0.655 0.000 1.150 352 G HN 0.530 nan 8.290 nan 0.000 0.561 353 W N 0.330 121.293 121.300 -0.561 0.000 2.497 353 W HA 0.792 5.172 4.660 -0.467 0.000 0.359 353 W C -0.337 176.128 176.519 -0.091 0.000 1.131 353 W CA -1.362 55.831 57.345 -0.253 0.000 1.280 353 W CB 1.061 30.355 29.460 -0.277 0.000 1.319 353 W HN 0.284 nan 8.180 nan 0.000 0.626 354 V N 3.622 123.629 119.914 0.155 0.000 2.546 354 V HA 0.600 4.438 4.120 -0.470 0.000 0.284 354 V C 1.004 177.192 176.094 0.157 0.000 1.050 354 V CA 0.790 63.141 62.300 0.085 0.000 0.981 354 V CB 0.051 31.918 31.823 0.073 0.000 0.990 354 V HN 1.292 nan 8.190 nan 0.000 0.474 355 G N 5.486 114.329 108.800 0.072 0.000 2.645 355 G HA2 -0.247 3.430 3.960 -0.470 0.000 0.239 355 G HA3 -0.247 3.430 3.960 -0.470 0.000 0.239 355 G C 0.414 175.405 174.900 0.152 0.000 1.331 355 G CA 0.625 45.785 45.100 0.101 0.000 0.890 355 G HN 0.657 nan 8.290 nan 0.000 0.572 356 R N -1.733 118.866 120.500 0.165 0.000 2.102 356 R HA 0.389 4.447 4.340 -0.470 0.000 0.208 356 R C 1.454 177.684 176.300 -0.117 0.000 1.131 356 R CA 1.290 57.447 56.100 0.095 0.000 1.054 356 R CB 0.190 30.546 30.300 0.093 0.000 0.954 356 R HN 0.374 nan 8.270 nan 0.000 0.465 357 F N 0.702 120.791 119.950 0.231 0.000 2.859 357 F HA 0.350 4.595 4.527 -0.471 0.000 0.324 357 F C -0.331 175.526 175.800 0.095 0.000 1.158 357 F CA -0.528 57.566 58.000 0.156 0.000 1.147 357 F CB 0.778 39.887 39.000 0.182 0.000 1.137 357 F HN -0.089 nan 8.300 nan 0.000 0.516 358 R N -1.323 119.309 120.500 0.220 0.000 3.529 358 R HA 0.178 4.235 4.340 -0.470 0.000 0.278 358 R C -3.554 172.829 176.300 0.137 0.000 0.963 358 R CA -1.381 54.808 56.100 0.148 0.000 0.863 358 R CB -0.260 30.123 30.300 0.138 0.000 1.335 358 R HN -0.291 nan 8.270 nan 0.000 0.543 359 P HA 0.181 nan 4.420 nan 0.000 0.275 359 P C -0.161 177.177 177.300 0.062 0.000 1.228 359 P CA -0.043 63.098 63.100 0.068 0.000 0.786 359 P CB 1.033 32.754 31.700 0.034 0.000 0.927 360 A N 3.338 126.200 122.820 0.070 0.000 2.475 360 A HA 0.087 4.125 4.320 -0.470 0.000 0.239 360 A C 0.597 178.214 177.584 0.055 0.000 1.087 360 A CA 0.050 52.142 52.037 0.091 0.000 0.779 360 A CB -0.234 18.830 19.000 0.106 0.000 1.036 360 A HN 0.520 nan 8.150 nan 0.000 0.506 361 E N 1.149 121.401 120.200 0.086 0.000 2.277 361 E HA 0.414 4.482 4.350 -0.470 0.000 0.274 361 E C -2.451 174.170 176.600 0.035 0.000 1.022 361 E CA -1.745 54.657 56.400 0.003 0.000 0.853 361 E CB 0.870 30.544 29.700 -0.044 0.000 1.086 361 E HN 0.491 nan 8.360 nan 0.000 0.397 362 P HA 0.230 nan 4.420 nan 0.000 0.281 362 P C -0.697 176.550 177.300 -0.089 0.000 1.249 362 P CA -0.271 62.785 63.100 -0.073 0.000 0.810 362 P CB 1.133 32.525 31.700 -0.512 0.000 1.008 363 H N 1.797 120.912 119.070 0.074 0.000 2.708 363 H HA 0.304 4.578 4.556 -0.470 0.000 0.320 363 H C -0.353 175.101 175.328 0.211 0.000 0.991 363 H CA -0.294 55.865 56.048 0.185 0.000 1.243 363 H CB 0.482 30.349 29.762 0.174 0.000 1.446 363 H HN 0.295 nan 8.280 nan 0.000 0.502 364 F N 1.518 121.629 119.950 0.268 0.000 2.371 364 F HA 0.120 4.364 4.527 -0.471 0.000 0.329 364 F C 1.599 177.564 175.800 0.274 0.000 1.107 364 F CA -0.543 57.631 58.000 0.290 0.000 1.137 364 F CB 0.979 40.086 39.000 0.178 0.000 1.214 364 F HN 0.366 nan 8.300 nan 0.000 0.536 365 T N -2.143 112.691 114.554 0.467 0.000 2.788 365 T HA 0.076 4.144 4.350 -0.470 0.000 0.287 365 T C 1.267 176.142 174.700 0.291 0.000 1.007 365 T CA -0.427 61.873 62.100 0.333 0.000 1.005 365 T CB 1.072 70.120 68.868 0.301 0.000 1.012 365 T HN 0.543 nan 8.240 nan 0.000 0.530 366 S N 0.448 116.276 115.700 0.214 0.000 2.419 366 S HA -0.133 4.055 4.470 -0.470 0.000 0.235 366 S C 1.620 176.325 174.600 0.175 0.000 1.019 366 S CA 1.575 59.883 58.200 0.180 0.000 0.982 366 S CB -0.737 62.547 63.200 0.140 0.000 0.789 366 S HN 0.871 nan 8.310 nan 0.000 0.490 367 D N -1.141 119.371 120.400 0.186 0.000 2.327 367 D HA 0.146 4.504 4.640 -0.470 0.000 0.205 367 D C 1.430 177.850 176.300 0.200 0.000 0.989 367 D CA 0.936 55.038 54.000 0.170 0.000 0.873 367 D CB -0.466 40.423 40.800 0.149 0.000 0.955 367 D HN 0.481 nan 8.370 nan 0.000 0.515 368 G N 1.435 110.403 108.800 0.280 0.000 2.143 368 G HA2 -0.322 3.356 3.960 -0.470 0.000 0.249 368 G HA3 -0.322 3.356 3.960 -0.470 0.000 0.249 368 G C 0.607 175.737 174.900 0.383 0.000 0.981 368 G CA 0.349 45.663 45.100 0.357 0.000 0.665 368 G HN 0.448 nan 8.290 nan 0.000 0.528 369 N N -0.103 118.781 118.700 0.307 0.000 2.422 369 N HA 0.278 4.736 4.740 -0.470 0.000 0.181 369 N C 0.875 176.550 175.510 0.275 0.000 1.080 369 N CA 0.674 53.878 53.050 0.257 0.000 0.893 369 N CB 0.211 38.807 38.487 0.180 0.000 0.973 369 N HN 0.690 nan 8.380 nan 0.000 0.456 370 S N -0.158 115.741 115.700 0.331 0.000 2.596 370 S HA 0.675 4.863 4.470 -0.470 0.000 0.270 370 S C -1.206 173.549 174.600 0.257 0.000 1.155 370 S CA -1.080 57.265 58.200 0.241 0.000 0.827 370 S CB 1.343 64.691 63.200 0.245 0.000 1.130 370 S HN 0.178 nan 8.310 nan 0.000 0.467 371 F N -1.631 118.213 119.950 -0.177 0.000 2.711 371 F HA 0.863 5.108 4.527 -0.470 0.000 0.313 371 F C -2.255 173.383 175.800 -0.269 0.000 1.141 371 F CA -1.473 56.324 58.000 -0.339 0.000 0.941 371 F CB 0.751 39.043 39.000 -1.181 0.000 1.349 371 F HN 0.587 nan 8.300 nan 0.000 0.464 372 Y N 1.110 121.437 120.300 0.046 0.000 2.409 372 Y HA 0.690 4.957 4.550 -0.471 0.000 0.343 372 Y C -0.362 175.625 175.900 0.144 0.000 0.973 372 Y CA -1.051 57.062 58.100 0.023 0.000 1.064 372 Y CB 2.254 40.687 38.460 -0.045 0.000 1.207 372 Y HN 0.783 nan 8.280 nan 0.000 0.452 373 K N 2.658 123.212 120.400 0.256 0.000 2.551 373 K HA 0.629 4.667 4.320 -0.470 0.000 0.269 373 K C -1.881 174.835 176.600 0.192 0.000 0.949 373 K CA -0.611 55.808 56.287 0.219 0.000 0.849 373 K CB 1.865 34.435 32.500 0.118 0.000 1.411 373 K HN 0.726 nan 8.250 nan 0.000 0.432 374 I N 5.328 125.986 120.570 0.147 0.000 2.365 374 I HA 0.396 4.284 4.170 -0.470 0.000 0.291 374 I C 0.150 176.341 176.117 0.122 0.000 1.004 374 I CA -0.640 60.731 61.300 0.119 0.000 1.311 374 I CB 0.851 38.895 38.000 0.074 0.000 1.401 374 I HN 0.532 nan 8.210 nan 0.000 0.491 375 I N 0.846 121.511 120.570 0.158 0.000 3.181 375 I HA 0.479 4.367 4.170 -0.470 0.000 0.311 375 I C -0.691 175.504 176.117 0.130 0.000 1.287 375 I CA -0.829 60.556 61.300 0.143 0.000 0.958 375 I CB 2.162 40.286 38.000 0.206 0.000 1.294 375 I HN 0.263 nan 8.210 nan 0.000 0.467 376 S N 2.668 118.403 115.700 0.058 0.000 2.548 376 S HA 0.260 4.447 4.470 -0.470 0.000 0.277 376 S C -0.121 174.522 174.600 0.072 0.000 1.315 376 S CA -0.525 57.665 58.200 -0.016 0.000 1.050 376 S CB 0.361 63.509 63.200 -0.087 0.000 0.918 376 S HN 0.763 nan 8.310 nan 0.000 0.497 377 N N 1.866 120.521 118.700 -0.073 0.000 2.448 377 N HA 0.220 4.677 4.740 -0.470 0.000 0.274 377 N C 0.593 176.054 175.510 -0.081 0.000 1.239 377 N CA -0.684 52.246 53.050 -0.200 0.000 0.982 377 N CB 0.029 37.977 38.487 -0.898 0.000 1.199 377 N HN 0.359 nan 8.380 nan 0.000 0.576 378 E N -0.262 119.900 120.200 -0.063 0.000 2.147 378 E HA -0.240 3.828 4.350 -0.470 0.000 0.199 378 E C 0.899 177.474 176.600 -0.041 0.000 1.005 378 E CA 1.890 58.273 56.400 -0.029 0.000 0.810 378 E CB -0.426 29.259 29.700 -0.026 0.000 0.736 378 E HN 0.775 nan 8.360 nan 0.000 0.460 379 E N -0.880 119.288 120.200 -0.053 0.000 2.481 379 E HA 0.169 4.237 4.350 -0.470 0.000 0.195 379 E C 0.946 177.574 176.600 0.047 0.000 1.047 379 E CA 0.487 56.898 56.400 0.018 0.000 0.867 379 E CB 0.275 29.997 29.700 0.036 0.000 0.858 379 E HN 0.374 nan 8.360 nan 0.000 0.513 380 G N 0.090 108.862 108.800 -0.046 0.000 2.141 380 G HA2 -0.272 3.406 3.960 -0.470 0.000 0.231 380 G HA3 -0.272 3.406 3.960 -0.470 0.000 0.231 380 G C -0.511 174.174 174.900 -0.357 0.000 0.984 380 G CA -0.322 44.656 45.100 -0.203 0.000 0.660 380 G HN 0.205 nan 8.290 nan 0.000 0.525 381 Y N 0.865 121.033 120.300 -0.220 0.000 2.360 381 Y HA 0.548 4.817 4.550 -0.470 0.000 0.337 381 Y C 0.873 176.548 175.900 -0.375 0.000 1.039 381 Y CA -0.907 57.023 58.100 -0.283 0.000 1.109 381 Y CB 1.250 39.566 38.460 -0.239 0.000 1.201 381 Y HN -0.024 nan 8.280 nan 0.000 0.458 382 K N 4.600 124.801 120.400 -0.331 0.000 2.349 382 K HA 0.255 4.293 4.320 -0.470 0.000 0.288 382 K C -0.719 175.499 176.600 -0.636 0.000 1.058 382 K CA -0.154 55.942 56.287 -0.318 0.000 0.953 382 K CB 0.335 32.721 32.500 -0.191 0.000 0.997 382 K HN 0.675 nan 8.250 nan 0.000 0.477 383 H N 1.233 120.223 119.070 -0.134 0.000 2.941 383 H HA 0.385 4.660 4.556 -0.470 0.000 0.344 383 H C -0.054 175.289 175.328 0.026 0.000 1.235 383 H CA -0.918 55.018 56.048 -0.186 0.000 1.149 383 H CB 1.363 30.886 29.762 -0.397 0.000 1.885 383 H HN 0.345 nan 8.280 nan 0.000 0.558 384 I N 1.164 121.798 120.570 0.106 0.000 2.441 384 I HA 0.091 3.979 4.170 -0.470 0.000 0.287 384 I C 0.333 176.527 176.117 0.128 0.000 1.049 384 I CA 0.002 61.351 61.300 0.082 0.000 1.381 384 I CB 0.521 38.477 38.000 -0.075 0.000 1.409 384 I HN 0.118 nan 8.210 nan 0.000 0.523 385 c N 6.159 124.769 118.600 0.018 0.000 2.456 385 c HA 0.328 4.616 4.570 -0.470 0.000 0.325 385 c C 0.012 173.891 174.090 -0.352 0.000 1.217 385 c CA -0.439 55.662 56.329 -0.381 0.000 1.687 385 c CB 0.862 42.920 42.510 -0.753 0.000 2.270 385 c HN 0.799 nan 8.230 nan 0.000 0.499 386 H N 3.785 122.434 119.070 -0.702 0.000 2.652 386 H HA 0.468 4.742 4.556 -0.470 0.000 0.298 386 H C -1.163 173.576 175.328 -0.983 0.000 1.076 386 H CA -0.385 55.125 56.048 -0.897 0.000 1.360 386 H CB 0.379 29.713 29.762 -0.712 0.000 1.421 386 H HN 0.569 nan 8.280 nan 0.000 0.464 387 F N 2.829 122.203 119.950 -0.960 0.000 2.422 387 F HA 0.133 4.378 4.527 -0.470 0.000 0.333 387 F C 0.314 175.590 175.800 -0.873 0.000 1.095 387 F CA -0.779 56.524 58.000 -1.162 0.000 1.038 387 F CB 1.669 39.359 39.000 -2.184 0.000 1.156 387 F HN 0.544 nan 8.300 nan 0.000 0.483 388 Q N 1.244 120.817 119.800 -0.378 0.000 2.322 388 Q HA 0.232 4.290 4.340 -0.470 0.000 0.256 388 Q C 0.914 176.993 176.000 0.131 0.000 0.960 388 Q CA 0.155 55.871 55.803 -0.145 0.000 0.934 388 Q CB 1.368 30.030 28.738 -0.128 0.000 1.200 388 Q HN 0.787 nan 8.270 nan 0.000 0.435 389 T N 2.082 116.787 114.554 0.251 0.000 2.685 389 T HA -0.198 3.870 4.350 -0.470 0.000 0.268 389 T C 0.529 175.495 174.700 0.444 0.000 1.034 389 T CA 1.938 64.306 62.100 0.447 0.000 1.149 389 T CB -0.106 69.018 68.868 0.426 0.000 0.860 389 T HN 0.789 nan 8.240 nan 0.000 0.449 390 D N -0.038 120.523 120.400 0.269 0.000 2.427 390 D HA 0.137 4.494 4.640 -0.470 0.000 0.224 390 D C 0.278 176.656 176.300 0.130 0.000 1.157 390 D CA -0.170 53.940 54.000 0.184 0.000 0.828 390 D CB 0.215 41.084 40.800 0.114 0.000 0.974 390 D HN 0.081 nan 8.370 nan 0.000 0.498 391 K N -0.363 120.146 120.400 0.181 0.000 2.443 391 K HA 0.308 4.346 4.320 -0.470 0.000 0.251 391 K C 0.706 177.398 176.600 0.154 0.000 0.972 391 K CA -0.493 55.848 56.287 0.090 0.000 0.833 391 K CB 1.972 34.480 32.500 0.014 0.000 1.317 391 K HN -0.024 nan 8.250 nan 0.000 0.441 392 S N -0.368 115.369 115.700 0.061 0.000 2.456 392 S HA -0.060 4.128 4.470 -0.470 0.000 0.224 392 S C 0.466 175.097 174.600 0.052 0.000 1.035 392 S CA 0.089 58.348 58.200 0.099 0.000 0.940 392 S CB -0.535 62.675 63.200 0.015 0.000 0.799 392 S HN 0.712 nan 8.310 nan 0.000 0.508 393 N N 1.297 119.952 118.700 -0.076 0.000 2.525 393 N HA 0.428 4.885 4.740 -0.470 0.000 0.271 393 N C -0.095 175.165 175.510 -0.417 0.000 1.194 393 N CA -0.471 52.458 53.050 -0.201 0.000 0.964 393 N CB 0.852 39.235 38.487 -0.173 0.000 1.126 393 N HN 0.534 nan 8.380 nan 0.000 0.452 394 c N -0.351 117.855 118.600 -0.657 0.000 2.779 394 c HA 0.716 5.004 4.570 -0.470 0.000 0.314 394 c C -0.323 173.284 174.090 -0.805 0.000 1.231 394 c CA -0.731 54.975 56.329 -1.038 0.000 1.652 394 c CB 1.087 42.346 42.510 -2.085 0.000 2.198 394 c HN 0.740 nan 8.230 nan 0.000 0.483 395 T N 2.378 116.507 114.554 -0.710 0.000 2.779 395 T HA 0.501 4.569 4.350 -0.470 0.000 0.280 395 T C -0.643 173.764 174.700 -0.487 0.000 0.987 395 T CA 0.057 61.873 62.100 -0.472 0.000 0.966 395 T CB 0.483 69.212 68.868 -0.232 0.000 0.933 395 T HN 0.494 nan 8.240 nan 0.000 0.442 396 F N 3.250 123.039 119.950 -0.267 0.000 2.543 396 F HA 0.224 4.469 4.527 -0.471 0.000 0.375 396 F C 1.631 177.227 175.800 -0.340 0.000 1.075 396 F CA -1.067 56.770 58.000 -0.271 0.000 1.225 396 F CB 0.257 39.123 39.000 -0.222 0.000 1.099 396 F HN 0.577 nan 8.300 nan 0.000 0.561 397 I N -0.316 120.111 120.570 -0.238 0.000 3.956 397 I HA 0.241 4.129 4.170 -0.470 0.000 0.333 397 I C 0.159 176.160 176.117 -0.194 0.000 1.302 397 I CA 0.119 61.113 61.300 -0.509 0.000 1.122 397 I CB -0.058 37.399 38.000 -0.906 0.000 1.013 397 I HN 0.488 nan 8.210 nan 0.000 0.405 398 T N -0.910 113.557 114.554 -0.145 0.000 2.900 398 T HA 0.611 4.679 4.350 -0.470 0.000 0.303 398 T C -0.890 173.461 174.700 -0.582 0.000 1.142 398 T CA -0.694 61.287 62.100 -0.199 0.000 1.007 398 T CB 2.893 71.684 68.868 -0.128 0.000 1.156 398 T HN 0.320 nan 8.240 nan 0.000 0.490 399 K N 0.388 120.289 120.400 -0.831 0.000 2.575 399 K HA 0.675 4.713 4.320 -0.470 0.000 0.279 399 K C -0.784 175.164 176.600 -1.086 0.000 0.969 399 K CA -0.099 55.446 56.287 -1.237 0.000 0.868 399 K CB 1.699 33.834 32.500 -0.608 0.000 1.457 399 K HN 1.565 nan 8.250 nan 0.000 0.426 400 G N 0.068 108.241 108.800 -1.044 0.000 2.351 400 G HA2 0.317 3.995 3.960 -0.470 0.000 0.353 400 G HA3 0.317 3.995 3.960 -0.470 0.000 0.353 400 G C -1.427 172.947 174.900 -0.876 0.000 1.358 400 G CA -0.359 44.334 45.100 -0.679 0.000 0.995 400 G HN 0.662 nan 8.290 nan 0.000 0.611 401 A N 0.993 123.461 122.820 -0.587 0.000 3.168 401 A HA 0.658 4.696 4.320 -0.470 0.000 0.260 401 A C 0.228 177.718 177.584 -0.157 0.000 1.598 401 A CA 0.530 52.014 52.037 -0.923 0.000 1.285 401 A CB -1.099 17.606 19.000 -0.492 0.000 1.149 401 A HN 1.708 nan 8.150 nan 0.000 0.630 402 W N -0.982 120.273 121.300 -0.075 0.000 2.895 402 W HA 0.651 5.028 4.660 -0.471 0.000 0.377 402 W C -1.151 175.443 176.519 0.124 0.000 1.191 402 W CA -0.807 56.614 57.345 0.128 0.000 1.179 402 W CB 0.333 29.833 29.460 0.066 0.000 1.469 402 W HN 0.252 nan 8.180 nan 0.000 0.577 403 E N 0.678 121.072 120.200 0.323 0.000 2.340 403 E HA 0.431 4.499 4.350 -0.470 0.000 0.273 403 E C -1.239 175.464 176.600 0.173 0.000 0.891 403 E CA -1.151 55.215 56.400 -0.057 0.000 0.757 403 E CB 3.382 33.070 29.700 -0.020 0.000 1.231 403 E HN 0.150 nan 8.360 nan 0.000 0.439 404 V N 3.903 123.798 119.914 -0.033 0.000 2.508 404 V HA -0.011 3.827 4.120 -0.470 0.000 0.281 404 V C 1.231 177.409 176.094 0.140 0.000 1.041 404 V CA 0.016 62.397 62.300 0.134 0.000 1.016 404 V CB 0.506 32.292 31.823 -0.062 0.000 0.984 404 V HN 0.700 nan 8.190 nan 0.000 0.478 405 I N 3.347 124.037 120.570 0.201 0.000 2.500 405 I HA 0.207 4.095 4.170 -0.470 0.000 0.252 405 I C 1.124 177.350 176.117 0.182 0.000 1.142 405 I CA 1.221 62.634 61.300 0.190 0.000 1.451 405 I CB -1.072 36.991 38.000 0.105 0.000 1.093 405 I HN 0.787 nan 8.210 nan 0.000 0.430 406 G N 0.463 109.367 108.800 0.173 0.000 2.411 406 G HA2 0.413 4.091 3.960 -0.470 0.000 0.295 406 G HA3 0.413 4.091 3.960 -0.470 0.000 0.295 406 G C -1.241 173.723 174.900 0.108 0.000 1.542 406 G CA -0.736 44.449 45.100 0.142 0.000 0.814 406 G HN -0.041 nan 8.290 nan 0.000 0.557 407 I N 1.582 122.128 120.570 -0.040 0.000 2.325 407 I HA 0.240 4.128 4.170 -0.470 0.000 0.291 407 I C 0.951 176.965 176.117 -0.173 0.000 1.019 407 I CA -0.515 60.649 61.300 -0.228 0.000 1.302 407 I CB 1.689 39.254 38.000 -0.726 0.000 1.401 407 I HN 0.537 nan 8.210 nan 0.000 0.485 408 E N 4.678 124.847 120.200 -0.051 0.000 2.099 408 E HA 0.247 4.315 4.350 -0.470 0.000 0.191 408 E C 0.260 176.773 176.600 -0.145 0.000 0.962 408 E CA 0.449 56.834 56.400 -0.024 0.000 0.826 408 E CB 0.674 30.388 29.700 0.024 0.000 0.788 408 E HN 0.731 nan 8.360 nan 0.000 0.461 409 A N 0.354 122.998 122.820 -0.294 0.000 2.594 409 A HA 0.662 4.700 4.320 -0.470 0.000 0.291 409 A C -1.821 175.695 177.584 -0.113 0.000 1.105 409 A CA -0.571 51.264 52.037 -0.337 0.000 0.694 409 A CB 1.585 19.972 19.000 -1.022 0.000 1.291 409 A HN 0.060 nan 8.150 nan 0.000 0.410 410 L N 0.899 122.106 121.223 -0.027 0.000 2.562 410 L HA 0.721 4.779 4.340 -0.470 0.000 0.266 410 L C 0.024 176.932 176.870 0.063 0.000 0.949 410 L CA 0.477 55.327 54.840 0.017 0.000 0.879 410 L CB 2.045 44.120 42.059 0.025 0.000 1.278 410 L HN 1.219 nan 8.230 nan 0.000 0.404 411 T N -0.321 114.282 114.554 0.082 0.000 2.804 411 T HA 0.443 4.511 4.350 -0.470 0.000 0.272 411 T C 1.011 175.740 174.700 0.049 0.000 0.986 411 T CA 0.111 62.270 62.100 0.099 0.000 0.999 411 T CB 1.146 70.116 68.868 0.170 0.000 1.307 411 T HN 0.693 nan 8.240 nan 0.000 0.586 412 S N -0.549 115.179 115.700 0.045 0.000 2.453 412 S HA -0.031 4.157 4.470 -0.470 0.000 0.231 412 S C 0.818 175.376 174.600 -0.069 0.000 1.005 412 S CA 0.843 59.052 58.200 0.015 0.000 0.949 412 S CB -0.495 62.722 63.200 0.028 0.000 0.774 412 S HN 0.694 nan 8.310 nan 0.000 0.510 413 D N -0.551 119.769 120.400 -0.134 0.000 2.431 413 D HA 0.251 4.609 4.640 -0.470 0.000 0.227 413 D C -0.334 175.595 176.300 -0.618 0.000 1.030 413 D CA 0.577 54.324 54.000 -0.422 0.000 0.897 413 D CB 0.205 40.637 40.800 -0.614 0.000 1.058 413 D HN 0.460 nan 8.370 nan 0.000 0.500 414 Y N -0.090 120.153 120.300 -0.094 0.000 2.602 414 Y HA 0.502 4.770 4.550 -0.470 0.000 0.342 414 Y C -0.416 175.327 175.900 -0.261 0.000 1.029 414 Y CA -1.299 56.669 58.100 -0.220 0.000 1.080 414 Y CB 2.118 40.352 38.460 -0.377 0.000 1.284 414 Y HN -0.266 nan 8.280 nan 0.000 0.485 415 L N 2.353 123.474 121.223 -0.170 0.000 2.381 415 L HA 0.544 4.601 4.340 -0.470 0.000 0.274 415 L C -2.023 174.727 176.870 -0.201 0.000 0.988 415 L CA -1.293 53.438 54.840 -0.183 0.000 0.824 415 L CB 0.740 42.643 42.059 -0.261 0.000 1.263 415 L HN 0.634 nan 8.230 nan 0.000 0.410 416 Y N 5.570 125.785 120.300 -0.142 0.000 2.409 416 Y HA 0.644 4.912 4.550 -0.470 0.000 0.339 416 Y C -0.159 175.727 175.900 -0.023 0.000 1.033 416 Y CA -0.363 57.638 58.100 -0.166 0.000 1.094 416 Y CB 1.641 39.814 38.460 -0.478 0.000 1.210 416 Y HN 0.604 nan 8.280 nan 0.000 0.456 417 Y N 0.123 120.477 120.300 0.089 0.000 2.744 417 Y HA 0.808 5.076 4.550 -0.471 0.000 0.330 417 Y C -2.002 173.983 175.900 0.142 0.000 1.263 417 Y CA -1.778 56.364 58.100 0.069 0.000 1.065 417 Y CB 1.156 39.632 38.460 0.027 0.000 1.306 417 Y HN 0.310 nan 8.280 nan 0.000 0.459 418 I N 2.527 123.282 120.570 0.309 0.000 2.646 418 I HA 0.700 4.588 4.170 -0.470 0.000 0.299 418 I C -0.556 175.744 176.117 0.304 0.000 1.036 418 I CA -0.518 60.904 61.300 0.203 0.000 1.074 418 I CB 1.873 39.957 38.000 0.140 0.000 1.258 418 I HN 0.904 nan 8.210 nan 0.000 0.430 419 S N 2.911 118.720 115.700 0.181 0.000 2.587 419 S HA 0.322 4.510 4.470 -0.470 0.000 0.269 419 S C -0.663 173.981 174.600 0.072 0.000 1.154 419 S CA -0.883 57.433 58.200 0.193 0.000 0.824 419 S CB 1.650 65.059 63.200 0.349 0.000 1.118 419 S HN 0.616 nan 8.310 nan 0.000 0.462 420 N N 0.205 118.968 118.700 0.104 0.000 2.378 420 N HA 0.123 4.581 4.740 -0.470 0.000 0.243 420 N C 0.623 176.140 175.510 0.012 0.000 1.137 420 N CA -0.022 53.050 53.050 0.037 0.000 0.862 420 N CB 0.204 38.708 38.487 0.027 0.000 1.116 420 N HN 0.847 nan 8.380 nan 0.000 0.499 421 E N 0.441 120.522 120.200 -0.198 0.000 2.028 421 E HA -0.239 3.828 4.350 -0.470 0.000 0.191 421 E C -0.049 176.392 176.600 -0.265 0.000 0.988 421 E CA 0.421 56.448 56.400 -0.621 0.000 0.799 421 E CB -0.251 28.459 29.700 -1.650 0.000 0.755 421 E HN 0.510 nan 8.360 nan 0.000 0.447 422 H N 0.769 119.749 119.070 -0.151 0.000 3.195 422 H HA -0.089 4.185 4.556 -0.470 0.000 0.302 422 H C 0.179 175.481 175.328 -0.044 0.000 0.950 422 H CA 1.379 57.391 56.048 -0.060 0.000 1.398 422 H CB 0.241 29.994 29.762 -0.014 0.000 1.377 422 H HN 0.192 nan 8.280 nan 0.000 0.572 423 K N 2.831 122.960 120.400 -0.452 0.000 3.445 423 K HA -0.218 3.820 4.320 -0.470 0.000 0.316 423 K C 1.020 177.593 176.600 -0.045 0.000 1.278 423 K CA 1.433 57.556 56.287 -0.275 0.000 0.976 423 K CB -1.443 30.905 32.500 -0.252 0.000 1.238 423 K HN 1.129 nan 8.250 nan 0.000 0.430 424 G N 0.377 109.161 108.800 -0.027 0.000 2.198 424 G HA2 -0.343 3.335 3.960 -0.470 0.000 0.260 424 G HA3 -0.343 3.335 3.960 -0.470 0.000 0.260 424 G C -0.012 174.990 174.900 0.171 0.000 1.025 424 G CA 0.738 45.894 45.100 0.092 0.000 0.769 424 G HN 0.520 nan 8.290 nan 0.000 0.507 425 M N -1.226 118.378 119.600 0.008 0.000 2.072 425 M HA 0.524 4.722 4.480 -0.470 0.000 0.331 425 M C -1.228 174.866 176.300 -0.343 0.000 1.004 425 M CA -2.300 52.806 55.300 -0.323 0.000 0.952 425 M CB 2.061 34.363 32.600 -0.496 0.000 1.511 425 M HN -0.096 nan 8.290 nan 0.000 0.422 426 P HA -0.133 nan 4.420 nan 0.000 0.217 426 P C 1.259 178.441 177.300 -0.196 0.000 1.148 426 P CA 2.014 65.019 63.100 -0.158 0.000 0.828 426 P CB -0.120 31.543 31.700 -0.062 0.000 0.783 427 G N -0.410 108.179 108.800 -0.351 0.000 2.882 427 G HA2 0.186 3.864 3.960 -0.470 0.000 0.206 427 G HA3 0.186 3.864 3.960 -0.470 0.000 0.206 427 G C 0.745 175.640 174.900 -0.008 0.000 1.155 427 G CA 0.255 45.262 45.100 -0.155 0.000 0.800 427 G HN 0.497 nan 8.290 nan 0.000 0.524 428 G N -0.471 108.275 108.800 -0.089 0.000 2.454 428 G HA2 0.648 4.326 3.960 -0.470 0.000 0.329 428 G HA3 0.648 4.326 3.960 -0.470 0.000 0.329 428 G C -0.885 173.906 174.900 -0.181 0.000 1.177 428 G CA -0.808 44.275 45.100 -0.029 0.000 0.951 428 G HN 0.066 nan 8.290 nan 0.000 0.485 429 R N 1.069 121.422 120.500 -0.244 0.000 2.575 429 R HA 0.509 4.567 4.340 -0.470 0.000 0.293 429 R C -1.172 175.114 176.300 -0.023 0.000 0.983 429 R CA -0.888 55.056 56.100 -0.261 0.000 0.887 429 R CB 2.007 31.922 30.300 -0.643 0.000 1.184 429 R HN 0.575 nan 8.270 nan 0.000 0.445 430 N N 1.405 120.115 118.700 0.017 0.000 2.329 430 N HA 0.302 4.760 4.740 -0.470 0.000 0.282 430 N C -1.407 174.086 175.510 -0.028 0.000 1.198 430 N CA -0.766 52.239 53.050 -0.075 0.000 0.790 430 N CB 2.703 41.093 38.487 -0.162 0.000 1.579 430 N HN 0.264 nan 8.380 nan 0.000 0.475 431 L N 2.463 123.528 121.223 -0.263 0.000 2.276 431 L HA 0.488 4.546 4.340 -0.470 0.000 0.286 431 L C -1.431 175.196 176.870 -0.405 0.000 1.061 431 L CA 0.033 54.753 54.840 -0.201 0.000 0.807 431 L CB -0.145 41.798 42.059 -0.194 0.000 1.177 431 L HN 0.392 nan 8.230 nan 0.000 0.429 432 Y N 4.128 124.102 120.300 -0.543 0.000 2.536 432 Y HA 0.638 4.906 4.550 -0.470 0.000 0.347 432 Y C -0.201 175.395 175.900 -0.507 0.000 1.000 432 Y CA -0.824 56.908 58.100 -0.614 0.000 1.051 432 Y CB 1.625 39.500 38.460 -0.975 0.000 1.259 432 Y HN 0.521 nan 8.280 nan 0.000 0.468 433 R N 3.152 123.525 120.500 -0.212 0.000 2.480 433 R HA 0.658 4.715 4.340 -0.470 0.000 0.306 433 R C -1.788 174.459 176.300 -0.088 0.000 0.958 433 R CA -0.597 55.297 56.100 -0.344 0.000 0.861 433 R CB 1.279 31.241 30.300 -0.564 0.000 1.171 433 R HN 0.895 nan 8.270 nan 0.000 0.445 434 I N 2.962 123.541 120.570 0.014 0.000 2.441 434 I HA 0.247 4.135 4.170 -0.470 0.000 0.295 434 I C -0.469 175.730 176.117 0.135 0.000 0.994 434 I CA -0.725 60.665 61.300 0.149 0.000 1.144 434 I CB 1.933 40.080 38.000 0.246 0.000 1.314 434 I HN 0.626 nan 8.210 nan 0.000 0.445 435 Q N 5.521 125.409 119.800 0.146 0.000 2.296 435 Q HA 0.107 4.165 4.340 -0.470 0.000 0.263 435 Q C 0.615 176.598 176.000 -0.029 0.000 1.026 435 Q CA -0.419 55.406 55.803 0.036 0.000 0.912 435 Q CB 1.521 30.267 28.738 0.013 0.000 1.198 435 Q HN 0.664 nan 8.270 nan 0.000 0.407 436 L N 3.626 124.776 121.223 -0.120 0.000 2.127 436 L HA -0.261 3.796 4.340 -0.470 0.000 0.211 436 L C 1.880 178.607 176.870 -0.238 0.000 1.089 436 L CA 1.861 56.662 54.840 -0.066 0.000 0.757 436 L CB -0.525 41.472 42.059 -0.103 0.000 0.899 436 L HN 0.685 nan 8.230 nan 0.000 0.434 437 N N -2.428 116.118 118.700 -0.257 0.000 2.424 437 N HA -0.063 4.395 4.740 -0.470 0.000 0.178 437 N C 0.047 175.355 175.510 -0.336 0.000 1.060 437 N CA 0.533 53.419 53.050 -0.273 0.000 0.901 437 N CB -0.005 38.372 38.487 -0.183 0.000 0.979 437 N HN 0.169 nan 8.380 nan 0.000 0.451 438 D N -0.514 119.701 120.400 -0.308 0.000 2.381 438 D HA 0.093 4.451 4.640 -0.470 0.000 0.245 438 D C -0.494 175.748 176.300 -0.097 0.000 1.297 438 D CA -0.665 53.201 54.000 -0.222 0.000 0.931 438 D CB -0.180 40.560 40.800 -0.100 0.000 1.334 438 D HN -0.055 nan 8.370 nan 0.000 0.535 439 Y N 0.742 121.055 120.300 0.023 0.000 2.738 439 Y HA -0.129 4.139 4.550 -0.470 0.000 0.293 439 Y C 2.509 178.437 175.900 0.046 0.000 1.156 439 Y CA 1.423 59.545 58.100 0.038 0.000 1.410 439 Y CB -0.939 37.546 38.460 0.043 0.000 0.966 439 Y HN 0.386 nan 8.280 nan 0.000 0.568 440 T N -3.080 111.564 114.554 0.150 0.000 3.054 440 T HA 0.030 4.098 4.350 -0.470 0.000 0.259 440 T C 0.718 175.477 174.700 0.097 0.000 1.092 440 T CA -0.048 62.118 62.100 0.110 0.000 1.121 440 T CB -0.107 68.800 68.868 0.065 0.000 0.912 440 T HN 0.127 nan 8.240 nan 0.000 0.489 441 K N 2.053 122.505 120.400 0.088 0.000 2.183 441 K HA 0.525 4.563 4.320 -0.470 0.000 0.272 441 K C -1.129 175.535 176.600 0.107 0.000 1.113 441 K CA -0.358 55.977 56.287 0.080 0.000 0.949 441 K CB 1.240 33.775 32.500 0.059 0.000 1.365 441 K HN 0.193 nan 8.250 nan 0.000 0.420 442 V N 2.489 122.470 119.914 0.112 0.000 2.540 442 V HA 0.403 4.241 4.120 -0.470 0.000 0.302 442 V C -0.786 175.357 176.094 0.082 0.000 1.035 442 V CA -0.221 62.158 62.300 0.132 0.000 0.873 442 V CB 2.030 33.981 31.823 0.214 0.000 0.992 442 V HN 0.644 nan 8.190 nan 0.000 0.428 443 T N 5.171 119.735 114.554 0.016 0.000 2.925 443 T HA 0.376 4.443 4.350 -0.470 0.000 0.285 443 T C -0.604 173.980 174.700 -0.193 0.000 1.021 443 T CA -0.360 61.697 62.100 -0.072 0.000 1.042 443 T CB 1.391 70.194 68.868 -0.109 0.000 1.037 443 T HN 0.874 nan 8.240 nan 0.000 0.481 444 C N 4.354 123.452 119.300 -0.337 0.000 2.258 444 C HA 0.464 4.642 4.460 -0.470 0.000 0.321 444 C C 1.616 176.295 174.990 -0.518 0.000 1.168 444 C CA -0.752 57.822 59.018 -0.739 0.000 1.531 444 C CB -2.180 25.015 27.740 -0.908 0.000 2.095 444 C HN 0.987 nan 8.230 nan 0.000 0.449 445 L N 4.158 125.109 121.223 -0.454 0.000 2.362 445 L HA 0.006 4.064 4.340 -0.470 0.000 0.219 445 L C 2.099 178.750 176.870 -0.365 0.000 1.134 445 L CA 1.499 56.158 54.840 -0.300 0.000 0.807 445 L CB -0.262 41.680 42.059 -0.195 0.000 0.927 445 L HN 0.878 nan 8.230 nan 0.000 0.447 446 S N -4.030 111.329 115.700 -0.570 0.000 2.787 446 S HA 0.053 4.240 4.470 -0.470 0.000 0.255 446 S C 1.424 175.585 174.600 -0.733 0.000 1.051 446 S CA -0.378 57.390 58.200 -0.720 0.000 1.124 446 S CB -0.334 62.144 63.200 -1.204 0.000 1.104 446 S HN 0.279 nan 8.310 nan 0.000 0.623 447 C N 1.601 120.496 119.300 -0.674 0.000 2.435 447 C HA 0.180 4.358 4.460 -0.470 0.000 0.279 447 C C 2.336 177.062 174.990 -0.439 0.000 1.321 447 C CA 0.972 59.550 59.018 -0.735 0.000 1.752 447 C CB -0.932 26.234 27.740 -0.958 0.000 1.959 447 C HN 0.629 nan 8.230 nan 0.000 0.500 448 E N -0.011 120.016 120.200 -0.288 0.000 2.489 448 E HA 0.196 4.264 4.350 -0.470 0.000 0.204 448 E C 1.883 178.433 176.600 -0.083 0.000 1.006 448 E CA -0.082 56.236 56.400 -0.138 0.000 0.936 448 E CB -0.171 29.468 29.700 -0.102 0.000 1.002 448 E HN 0.505 nan 8.360 nan 0.000 0.488 449 L N 0.022 121.187 121.223 -0.096 0.000 2.021 449 L HA -0.171 3.887 4.340 -0.470 0.000 0.215 449 L C 0.681 177.562 176.870 0.018 0.000 1.074 449 L CA 1.352 56.182 54.840 -0.017 0.000 0.760 449 L CB -0.180 41.895 42.059 0.028 0.000 0.889 449 L HN 0.101 nan 8.230 nan 0.000 0.433 450 N N -1.954 116.769 118.700 0.039 0.000 2.805 450 N HA 0.077 4.535 4.740 -0.470 0.000 0.216 450 N C -1.987 173.553 175.510 0.048 0.000 1.447 450 N CA -0.509 52.563 53.050 0.036 0.000 0.785 450 N CB 0.909 39.416 38.487 0.033 0.000 1.458 450 N HN -0.157 nan 8.380 nan 0.000 0.547 451 P HA -0.260 nan 4.420 nan 0.000 0.217 451 P C 0.567 177.905 177.300 0.064 0.000 1.158 451 P CA 1.593 64.730 63.100 0.060 0.000 0.887 451 P CB 0.403 32.138 31.700 0.059 0.000 0.792 452 E N -0.643 119.580 120.200 0.039 0.000 2.112 452 E HA -0.111 3.957 4.350 -0.470 0.000 0.190 452 E C 2.320 178.929 176.600 0.015 0.000 0.979 452 E CA 0.688 57.105 56.400 0.029 0.000 0.814 452 E CB -0.448 29.260 29.700 0.014 0.000 0.762 452 E HN 0.351 nan 8.360 nan 0.000 0.460 453 R N -0.136 120.363 120.500 -0.001 0.000 2.127 453 R HA 0.045 4.103 4.340 -0.470 0.000 0.217 453 R C -0.011 176.267 176.300 -0.037 0.000 1.074 453 R CA 0.594 56.673 56.100 -0.036 0.000 0.991 453 R CB 0.360 30.622 30.300 -0.063 0.000 0.895 453 R HN 0.019 nan 8.270 nan 0.000 0.450 454 c N 0.639 119.247 118.600 0.013 0.000 2.346 454 c HA 0.410 4.697 4.570 -0.470 0.000 0.326 454 c C 0.093 174.297 174.090 0.189 0.000 1.224 454 c CA -0.719 55.627 56.329 0.029 0.000 1.408 454 c CB 1.536 44.026 42.510 -0.032 0.000 2.089 454 c HN 0.520 nan 8.230 nan 0.000 0.456 455 Q N 0.244 120.152 119.800 0.181 0.000 2.157 455 Q HA 0.187 4.245 4.340 -0.470 0.000 0.235 455 Q C -0.817 175.352 176.000 0.281 0.000 0.803 455 Q CA 0.183 56.121 55.803 0.227 0.000 0.967 455 Q CB 1.210 30.050 28.738 0.170 0.000 1.150 455 Q HN 0.797 nan 8.270 nan 0.000 0.482 456 Y N 0.618 121.001 120.300 0.137 0.000 2.426 456 Y HA 0.381 4.649 4.550 -0.470 0.000 0.325 456 Y C -1.471 174.532 175.900 0.171 0.000 0.989 456 Y CA -1.029 57.163 58.100 0.153 0.000 1.284 456 Y CB 0.612 39.143 38.460 0.117 0.000 1.104 456 Y HN -0.097 nan 8.280 nan 0.000 0.481 457 Y N 2.004 122.338 120.300 0.057 0.000 2.549 457 Y HA 0.675 4.943 4.550 -0.470 0.000 0.339 457 Y C 0.016 176.000 175.900 0.140 0.000 1.053 457 Y CA -0.681 57.482 58.100 0.105 0.000 1.105 457 Y CB 2.293 40.742 38.460 -0.020 0.000 1.258 457 Y HN 0.493 nan 8.280 nan 0.000 0.478 458 S N 0.693 116.640 115.700 0.411 0.000 2.564 458 S HA 0.978 5.166 4.470 -0.470 0.000 0.274 458 S C -1.163 173.623 174.600 0.311 0.000 1.124 458 S CA -0.608 57.807 58.200 0.358 0.000 0.869 458 S CB 1.916 65.406 63.200 0.483 0.000 1.105 458 S HN 0.974 nan 8.310 nan 0.000 0.472 459 A N 0.713 123.702 122.820 0.283 0.000 2.483 459 A HA 0.966 5.004 4.320 -0.470 0.000 0.286 459 A C -0.432 177.341 177.584 0.315 0.000 1.207 459 A CA -0.743 51.453 52.037 0.265 0.000 0.764 459 A CB 1.553 20.701 19.000 0.247 0.000 1.341 459 A HN 1.788 nan 8.150 nan 0.000 0.428 460 S N -0.366 115.518 115.700 0.307 0.000 2.545 460 S HA 0.597 4.784 4.470 -0.470 0.000 0.259 460 S C -1.673 173.134 174.600 0.346 0.000 1.092 460 S CA -0.474 57.969 58.200 0.404 0.000 1.054 460 S CB -0.197 63.261 63.200 0.430 0.000 1.146 460 S HN 0.508 nan 8.310 nan 0.000 0.447 461 F N 2.858 122.837 119.950 0.047 0.000 2.378 461 F HA 0.608 4.852 4.527 -0.471 0.000 0.325 461 F C 1.415 176.802 175.800 -0.688 0.000 1.097 461 F CA -0.331 57.526 58.000 -0.238 0.000 1.079 461 F CB 1.502 40.343 39.000 -0.265 0.000 1.240 461 F HN 0.637 nan 8.300 nan 0.000 0.519 462 S N 0.238 115.376 115.700 -0.937 0.000 2.671 462 S HA 0.357 4.545 4.470 -0.470 0.000 0.272 462 S C -0.295 174.151 174.600 -0.256 0.000 1.174 462 S CA -1.016 56.530 58.200 -1.091 0.000 1.004 462 S CB 0.136 62.632 63.200 -1.172 0.000 1.077 462 S HN 0.618 nan 8.310 nan 0.000 0.553 463 N N 1.383 120.050 118.700 -0.054 0.000 2.492 463 N HA 0.133 4.591 4.740 -0.470 0.000 0.260 463 N C -0.146 175.387 175.510 0.039 0.000 1.215 463 N CA -0.254 52.828 53.050 0.052 0.000 0.923 463 N CB 0.153 38.709 38.487 0.114 0.000 1.092 463 N HN 0.570 nan 8.380 nan 0.000 0.448 464 K N 0.619 121.052 120.400 0.055 0.000 3.472 464 K HA -0.302 3.736 4.320 -0.470 0.000 0.315 464 K C 0.164 176.787 176.600 0.039 0.000 1.320 464 K CA 0.695 57.017 56.287 0.058 0.000 0.962 464 K CB -1.772 30.768 32.500 0.068 0.000 1.251 464 K HN 0.922 nan 8.250 nan 0.000 0.443 465 A N 0.191 123.020 122.820 0.015 0.000 2.783 465 A HA -0.319 3.718 4.320 -0.470 0.000 0.292 465 A C 1.214 178.827 177.584 0.048 0.000 1.495 465 A CA 2.106 54.181 52.037 0.062 0.000 0.787 465 A CB -1.571 17.379 19.000 -0.084 0.000 1.017 465 A HN 0.552 nan 8.150 nan 0.000 0.516 466 K N -2.105 118.251 120.400 -0.073 0.000 2.155 466 K HA 0.100 4.138 4.320 -0.470 0.000 0.203 466 K C 0.206 176.509 176.600 -0.495 0.000 1.052 466 K CA 1.421 57.550 56.287 -0.263 0.000 0.948 466 K CB 0.058 32.371 32.500 -0.312 0.000 0.728 466 K HN 0.726 nan 8.250 nan 0.000 0.448 467 Y N -1.124 119.088 120.300 -0.145 0.000 2.638 467 Y HA 0.344 4.612 4.550 -0.470 0.000 0.339 467 Y C -0.967 174.734 175.900 -0.332 0.000 1.084 467 Y CA -1.602 56.378 58.100 -0.200 0.000 1.068 467 Y CB 1.715 40.082 38.460 -0.155 0.000 1.294 467 Y HN -0.050 nan 8.280 nan 0.000 0.480 468 Y N -1.171 118.983 120.300 -0.243 0.000 2.480 468 Y HA 0.439 4.706 4.550 -0.470 0.000 0.329 468 Y C -1.265 174.592 175.900 -0.072 0.000 1.127 468 Y CA -1.493 56.309 58.100 -0.496 0.000 1.037 468 Y CB 1.202 38.698 38.460 -1.607 0.000 1.320 468 Y HN 0.601 nan 8.280 nan 0.000 0.446 469 Q N 3.962 123.882 119.800 0.199 0.000 2.256 469 Q HA 0.558 4.616 4.340 -0.470 0.000 0.254 469 Q C -1.603 174.483 176.000 0.142 0.000 0.916 469 Q CA -0.638 55.255 55.803 0.149 0.000 0.932 469 Q CB 1.309 30.131 28.738 0.141 0.000 1.207 469 Q HN 0.970 nan 8.270 nan 0.000 0.426 470 L N 4.072 125.365 121.223 0.116 0.000 2.343 470 L HA 0.534 4.592 4.340 -0.470 0.000 0.275 470 L C -0.284 176.603 176.870 0.028 0.000 1.056 470 L CA -0.631 54.287 54.840 0.131 0.000 0.804 470 L CB 1.292 43.431 42.059 0.132 0.000 1.203 470 L HN 0.681 nan 8.230 nan 0.000 0.440 471 R N 2.263 122.741 120.500 -0.036 0.000 2.467 471 R HA 0.268 4.326 4.340 -0.470 0.000 0.299 471 R C -1.172 174.640 176.300 -0.813 0.000 1.120 471 R CA -0.520 55.298 56.100 -0.471 0.000 0.940 471 R CB 1.483 31.694 30.300 -0.149 0.000 1.161 471 R HN 0.564 nan 8.270 nan 0.000 0.506 472 c N 4.180 122.096 118.600 -1.140 0.000 2.303 472 c HA 0.446 4.734 4.570 -0.470 0.000 0.341 472 c C 0.475 174.015 174.090 -0.915 0.000 1.244 472 c CA -0.476 55.177 56.329 -1.127 0.000 1.765 472 c CB -0.874 41.003 42.510 -1.056 0.000 2.379 472 c HN 0.929 nan 8.230 nan 0.000 0.530 473 F N 4.480 124.303 119.950 -0.212 0.000 2.653 473 F HA 0.482 4.727 4.527 -0.469 0.000 0.304 473 F C 1.406 177.181 175.800 -0.040 0.000 1.092 473 F CA 0.640 58.582 58.000 -0.095 0.000 1.279 473 F CB 0.120 39.086 39.000 -0.057 0.000 1.044 473 F HN 1.020 nan 8.300 nan 0.000 0.564 474 G N 0.112 108.948 108.800 0.059 0.000 2.337 474 G HA2 0.106 3.784 3.960 -0.470 0.000 0.298 474 G HA3 0.106 3.784 3.960 -0.470 0.000 0.298 474 G C -2.510 172.423 174.900 0.055 0.000 1.335 474 G CA -0.726 44.422 45.100 0.081 0.000 0.875 474 G HN -0.301 nan 8.290 nan 0.000 0.579 475 P HA 0.092 nan 4.420 nan 0.000 0.223 475 P C 1.310 178.627 177.300 0.029 0.000 1.151 475 P CA 1.584 64.728 63.100 0.073 0.000 0.787 475 P CB 0.190 31.925 31.700 0.057 0.000 0.788 476 G N 0.357 109.105 108.800 -0.086 0.000 2.543 476 G HA2 0.394 4.072 3.960 -0.470 0.000 0.290 476 G HA3 0.394 4.072 3.960 -0.470 0.000 0.290 476 G C -0.146 174.483 174.900 -0.452 0.000 1.310 476 G CA -0.780 44.168 45.100 -0.253 0.000 1.025 476 G HN 0.017 nan 8.290 nan 0.000 0.502 477 L N 1.074 121.927 121.223 -0.618 0.000 2.640 477 L HA 0.031 4.089 4.340 -0.470 0.000 0.280 477 L C -1.847 174.843 176.870 -0.300 0.000 1.229 477 L CA -0.887 53.593 54.840 -0.599 0.000 0.919 477 L CB -0.177 41.647 42.059 -0.392 0.000 1.168 477 L HN 0.241 nan 8.230 nan 0.000 0.496 478 P HA 0.006 nan 4.420 nan 0.000 0.267 478 P C -0.746 176.388 177.300 -0.277 0.000 1.195 478 P CA 0.106 63.065 63.100 -0.235 0.000 0.773 478 P CB 0.525 32.190 31.700 -0.058 0.000 0.837 479 L N 3.798 124.713 121.223 -0.513 0.000 2.470 479 L HA 0.476 4.533 4.340 -0.470 0.000 0.268 479 L C -1.911 174.636 176.870 -0.539 0.000 0.964 479 L CA -0.570 54.055 54.840 -0.358 0.000 0.839 479 L CB 1.093 43.000 42.059 -0.253 0.000 1.276 479 L HN 0.198 nan 8.230 nan 0.000 0.403 480 Y N 2.814 123.011 120.300 -0.171 0.000 2.331 480 Y HA 0.767 5.035 4.550 -0.471 0.000 0.338 480 Y C 0.584 176.366 175.900 -0.197 0.000 0.992 480 Y CA -0.352 57.644 58.100 -0.175 0.000 1.121 480 Y CB 2.033 40.408 38.460 -0.141 0.000 1.184 480 Y HN 0.703 nan 8.280 nan 0.000 0.469 481 T N 0.777 115.322 114.554 -0.014 0.000 2.901 481 T HA 0.736 4.804 4.350 -0.470 0.000 0.293 481 T C -1.539 173.161 174.700 -0.000 0.000 1.084 481 T CA -0.885 61.188 62.100 -0.046 0.000 1.008 481 T CB 1.971 70.862 68.868 0.039 0.000 1.170 481 T HN 0.401 nan 8.240 nan 0.000 0.509 482 L N 1.241 122.364 121.223 -0.167 0.000 2.342 482 L HA 0.825 4.883 4.340 -0.470 0.000 0.271 482 L C -1.247 175.430 176.870 -0.322 0.000 1.008 482 L CA -0.231 54.548 54.840 -0.102 0.000 0.818 482 L CB 1.573 43.546 42.059 -0.144 0.000 1.296 482 L HN 0.963 nan 8.230 nan 0.000 0.427 483 H N 0.348 119.182 119.070 -0.393 0.000 2.960 483 H HA 0.679 4.952 4.556 -0.470 0.000 0.338 483 H C -1.123 174.020 175.328 -0.307 0.000 1.261 483 H CA -0.712 55.054 56.048 -0.470 0.000 1.136 483 H CB 1.709 30.936 29.762 -0.890 0.000 1.875 483 H HN 0.509 nan 8.280 nan 0.000 0.550 484 S N -0.638 115.035 115.700 -0.044 0.000 2.537 484 S HA 0.377 4.564 4.470 -0.470 0.000 0.301 484 S C 0.408 175.010 174.600 0.003 0.000 1.092 484 S CA -0.471 57.738 58.200 0.015 0.000 1.048 484 S CB 1.095 64.321 63.200 0.043 0.000 1.053 484 S HN 0.575 nan 8.310 nan 0.000 0.501 485 S N 2.024 117.712 115.700 -0.019 0.000 2.458 485 S HA -0.028 4.160 4.470 -0.470 0.000 0.223 485 S C 2.067 176.687 174.600 0.033 0.000 1.019 485 S CA 0.880 59.166 58.200 0.145 0.000 0.937 485 S CB -0.157 63.128 63.200 0.142 0.000 0.788 485 S HN 0.872 nan 8.310 nan 0.000 0.511 486 S N 2.019 117.693 115.700 -0.044 0.000 2.387 486 S HA -0.049 4.139 4.470 -0.470 0.000 0.226 486 S C 1.802 176.397 174.600 -0.007 0.000 1.026 486 S CA 1.288 59.473 58.200 -0.026 0.000 0.972 486 S CB -0.342 62.830 63.200 -0.046 0.000 0.814 486 S HN 0.536 nan 8.310 nan 0.000 0.477 487 S N -0.253 115.445 115.700 -0.003 0.000 2.559 487 S HA 0.228 4.416 4.470 -0.470 0.000 0.226 487 S C 0.095 174.707 174.600 0.020 0.000 1.030 487 S CA 0.292 58.497 58.200 0.008 0.000 0.956 487 S CB -0.057 63.148 63.200 0.007 0.000 0.900 487 S HN 0.268 nan 8.310 nan 0.000 0.510 488 D N 1.282 121.708 120.400 0.043 0.000 2.983 488 D HA -0.153 4.205 4.640 -0.470 0.000 0.225 488 D C -0.034 176.301 176.300 0.060 0.000 1.174 488 D CA 1.067 55.118 54.000 0.085 0.000 0.831 488 D CB -1.112 39.735 40.800 0.078 0.000 1.104 488 D HN 0.647 nan 8.370 nan 0.000 0.421 489 K N 0.998 121.406 120.400 0.014 0.000 2.237 489 K HA 0.095 4.133 4.320 -0.470 0.000 0.270 489 K C 0.656 177.191 176.600 -0.109 0.000 1.015 489 K CA -0.173 56.098 56.287 -0.027 0.000 0.949 489 K CB 0.697 33.182 32.500 -0.025 0.000 0.976 489 K HN -0.073 nan 8.250 nan 0.000 0.472 490 E N 5.780 125.868 120.200 -0.185 0.000 2.545 490 E HA -0.013 4.055 4.350 -0.470 0.000 0.271 490 E C 0.965 177.345 176.600 -0.368 0.000 1.508 490 E CA -0.092 56.033 56.400 -0.458 0.000 1.774 490 E CB -0.313 29.169 29.700 -0.362 0.000 1.460 490 E HN 0.697 nan 8.360 nan 0.000 0.449 491 L N 0.067 121.140 121.223 -0.250 0.000 2.403 491 L HA -0.398 3.660 4.340 -0.470 0.000 0.237 491 L C 1.399 178.174 176.870 -0.158 0.000 1.138 491 L CA 2.289 57.033 54.840 -0.161 0.000 0.841 491 L CB -1.326 40.650 42.059 -0.138 0.000 0.979 491 L HN 0.487 nan 8.230 nan 0.000 0.435 492 R N -2.509 117.864 120.500 -0.212 0.000 2.741 492 R HA 0.635 4.693 4.340 -0.470 0.000 0.274 492 R C -1.552 174.619 176.300 -0.215 0.000 1.029 492 R CA -1.036 54.959 56.100 -0.175 0.000 0.880 492 R CB 1.783 32.007 30.300 -0.126 0.000 1.264 492 R HN -0.175 nan 8.270 nan 0.000 0.465 493 V N 2.398 122.204 119.914 -0.179 0.000 2.370 493 V HA 0.237 4.075 4.120 -0.470 0.000 0.279 493 V C 1.109 177.054 176.094 -0.248 0.000 1.029 493 V CA -0.533 61.657 62.300 -0.183 0.000 0.870 493 V CB 1.341 33.089 31.823 -0.124 0.000 0.984 493 V HN 0.640 nan 8.190 nan 0.000 0.451 494 L N 2.856 123.862 121.223 -0.361 0.000 2.307 494 L HA 0.283 4.341 4.340 -0.470 0.000 0.211 494 L C 0.617 177.222 176.870 -0.442 0.000 1.099 494 L CA 0.690 55.107 54.840 -0.704 0.000 0.816 494 L CB 0.250 41.561 42.059 -1.248 0.000 0.952 494 L HN 0.705 nan 8.230 nan 0.000 0.455 495 E N -0.340 119.767 120.200 -0.155 0.000 2.597 495 E HA 0.056 4.124 4.350 -0.470 0.000 0.310 495 E C -1.258 175.380 176.600 0.063 0.000 0.970 495 E CA -0.288 56.120 56.400 0.014 0.000 0.819 495 E CB 0.894 30.657 29.700 0.105 0.000 1.267 495 E HN 0.158 nan 8.360 nan 0.000 0.411 496 D N 2.870 123.283 120.400 0.021 0.000 2.500 496 D HA 0.198 4.556 4.640 -0.470 0.000 0.217 496 D C -0.203 176.092 176.300 -0.008 0.000 1.159 496 D CA -0.168 53.827 54.000 -0.008 0.000 0.828 496 D CB 0.073 40.851 40.800 -0.038 0.000 1.039 496 D HN 0.432 nan 8.370 nan 0.000 0.512 497 N N 0.386 119.100 118.700 0.024 0.000 2.725 497 N HA -0.224 4.233 4.740 -0.470 0.000 0.249 497 N C 0.964 176.473 175.510 -0.002 0.000 1.103 497 N CA 0.906 53.968 53.050 0.019 0.000 0.707 497 N CB -1.217 37.282 38.487 0.020 0.000 1.043 497 N HN 0.496 nan 8.380 nan 0.000 0.553 498 S N -1.105 114.593 115.700 -0.004 0.000 2.399 498 S HA -0.079 4.109 4.470 -0.470 0.000 0.231 498 S C 2.106 176.714 174.600 0.013 0.000 1.022 498 S CA 1.057 59.254 58.200 -0.006 0.000 0.983 498 S CB -0.161 63.036 63.200 -0.005 0.000 0.803 498 S HN 0.523 nan 8.310 nan 0.000 0.480 499 A N 2.688 125.523 122.820 0.025 0.000 1.841 499 A HA -0.018 4.020 4.320 -0.470 0.000 0.216 499 A C 2.257 179.884 177.584 0.072 0.000 1.199 499 A CA 1.783 53.846 52.037 0.043 0.000 0.621 499 A CB -1.219 17.804 19.000 0.039 0.000 0.835 499 A HN 0.550 nan 8.150 nan 0.000 0.445 500 L N 0.540 121.813 121.223 0.083 0.000 2.021 500 L HA -0.252 3.806 4.340 -0.470 0.000 0.215 500 L C 1.939 178.862 176.870 0.088 0.000 1.074 500 L CA 3.044 57.963 54.840 0.132 0.000 0.760 500 L CB -1.082 41.053 42.059 0.126 0.000 0.889 500 L HN 0.572 nan 8.230 nan 0.000 0.433 501 D N -1.011 119.400 120.400 0.019 0.000 2.133 501 D HA -0.289 4.069 4.640 -0.470 0.000 0.195 501 D C 2.155 178.466 176.300 0.017 0.000 0.997 501 D CA 1.587 55.577 54.000 -0.016 0.000 0.840 501 D CB -0.034 40.740 40.800 -0.042 0.000 0.947 501 D HN 0.264 nan 8.370 nan 0.000 0.452 502 K N 0.003 120.427 120.400 0.040 0.000 1.987 502 K HA -0.171 3.867 4.320 -0.470 0.000 0.216 502 K C 2.102 178.756 176.600 0.090 0.000 1.051 502 K CA 1.604 57.923 56.287 0.054 0.000 0.942 502 K CB -0.490 32.043 32.500 0.055 0.000 0.722 502 K HN 0.217 nan 8.250 nan 0.000 0.444 503 M N 0.106 119.798 119.600 0.153 0.000 2.110 503 M HA -0.234 3.964 4.480 -0.470 0.000 0.257 503 M C 2.095 178.523 176.300 0.213 0.000 1.071 503 M CA 1.942 57.408 55.300 0.276 0.000 1.096 503 M CB -0.581 32.325 32.600 0.510 0.000 1.300 503 M HN 0.138 nan 8.290 nan 0.000 0.411 504 L N -0.218 121.042 121.223 0.061 0.000 2.351 504 L HA -0.264 3.793 4.340 -0.470 0.000 0.220 504 L C 2.505 179.355 176.870 -0.034 0.000 1.127 504 L CA 1.059 55.832 54.840 -0.112 0.000 0.786 504 L CB -0.768 41.207 42.059 -0.139 0.000 0.914 504 L HN 0.475 nan 8.230 nan 0.000 0.443 505 Q N -0.431 119.380 119.800 0.017 0.000 2.046 505 Q HA -0.232 3.826 4.340 -0.470 0.000 0.200 505 Q C 1.830 177.853 176.000 0.038 0.000 0.975 505 Q CA 1.544 57.359 55.803 0.020 0.000 0.836 505 Q CB -0.155 28.600 28.738 0.028 0.000 0.896 505 Q HN 0.447 nan 8.270 nan 0.000 0.428 506 D N 0.195 120.636 120.400 0.068 0.000 2.310 506 D HA -0.054 4.304 4.640 -0.470 0.000 0.212 506 D C 0.035 176.386 176.300 0.085 0.000 0.965 506 D CA 0.203 54.251 54.000 0.081 0.000 0.879 506 D CB 0.348 41.209 40.800 0.102 0.000 0.921 506 D HN -0.050 nan 8.370 nan 0.000 0.510 507 V N 0.933 120.892 119.914 0.075 0.000 2.612 507 V HA 0.180 4.018 4.120 -0.470 0.000 0.301 507 V C -0.439 175.663 176.094 0.014 0.000 1.046 507 V CA -0.530 61.810 62.300 0.067 0.000 0.946 507 V CB 1.797 33.664 31.823 0.073 0.000 1.003 507 V HN -0.065 nan 8.190 nan 0.000 0.459 508 Q N 6.068 125.879 119.800 0.018 0.000 2.844 508 Q HA 0.300 4.358 4.340 -0.470 0.000 0.235 508 Q C -0.282 175.685 176.000 -0.055 0.000 1.336 508 Q CA -0.250 55.530 55.803 -0.038 0.000 1.026 508 Q CB 0.454 29.152 28.738 -0.067 0.000 1.513 508 Q HN 0.596 nan 8.270 nan 0.000 0.577 509 M N 2.811 122.366 119.600 -0.074 0.000 2.207 509 M HA 0.270 4.468 4.480 -0.470 0.000 0.311 509 M C -1.945 174.291 176.300 -0.107 0.000 1.127 509 M CA -1.946 53.295 55.300 -0.099 0.000 1.181 509 M CB -0.531 32.002 32.600 -0.112 0.000 1.409 509 M HN 0.284 nan 8.290 nan 0.000 0.461 510 P HA 0.324 nan 4.420 nan 0.000 0.283 510 P C -1.186 176.041 177.300 -0.122 0.000 1.271 510 P CA -0.509 62.510 63.100 -0.135 0.000 0.841 510 P CB 1.037 32.643 31.700 -0.156 0.000 1.122 511 S N -0.040 115.576 115.700 -0.139 0.000 2.608 511 S HA 0.490 4.678 4.470 -0.470 0.000 0.291 511 S C -0.259 174.258 174.600 -0.139 0.000 1.146 511 S CA -0.777 57.353 58.200 -0.118 0.000 1.043 511 S CB 1.395 64.525 63.200 -0.116 0.000 1.037 511 S HN 0.477 nan 8.310 nan 0.000 0.520 512 K N 1.517 121.861 120.400 -0.093 0.000 2.527 512 K HA 0.285 4.323 4.320 -0.470 0.000 0.240 512 K C -0.729 175.828 176.600 -0.070 0.000 0.989 512 K CA -0.419 55.816 56.287 -0.086 0.000 0.985 512 K CB 0.652 33.122 32.500 -0.049 0.000 1.221 512 K HN 0.736 nan 8.250 nan 0.000 0.458 513 K N 4.494 124.831 120.400 -0.106 0.000 2.143 513 K HA 0.289 4.327 4.320 -0.470 0.000 0.272 513 K C -1.196 175.355 176.600 -0.081 0.000 1.001 513 K CA -0.595 55.640 56.287 -0.087 0.000 0.915 513 K CB 0.750 33.176 32.500 -0.123 0.000 1.047 513 K HN 0.392 nan 8.250 nan 0.000 0.458 514 L N 3.281 124.474 121.223 -0.049 0.000 2.362 514 L HA 0.468 4.526 4.340 -0.470 0.000 0.271 514 L C -0.480 176.340 176.870 -0.084 0.000 1.002 514 L CA -0.005 54.814 54.840 -0.034 0.000 0.818 514 L CB 1.900 44.036 42.059 0.130 0.000 1.298 514 L HN 0.902 nan 8.230 nan 0.000 0.420 515 D N 0.945 121.152 120.400 -0.322 0.000 3.376 515 D HA 0.603 4.961 4.640 -0.470 0.000 0.344 515 D C -1.761 174.248 176.300 -0.484 0.000 1.428 515 D CA -0.097 53.670 54.000 -0.388 0.000 0.949 515 D CB 1.713 42.320 40.800 -0.322 0.000 1.451 515 D HN 0.195 nan 8.370 nan 0.000 0.578 516 V N 0.640 120.388 119.914 -0.276 0.000 3.147 516 V HA 0.676 4.514 4.120 -0.470 0.000 0.306 516 V C -0.537 175.665 176.094 0.180 0.000 1.209 516 V CA -0.639 61.575 62.300 -0.144 0.000 1.023 516 V CB 2.372 33.816 31.823 -0.632 0.000 1.059 516 V HN 0.599 nan 8.190 nan 0.000 0.435 517 I N 0.011 120.722 120.570 0.235 0.000 3.352 517 I HA 0.722 4.610 4.170 -0.470 0.000 0.316 517 I C -1.415 174.784 176.117 0.135 0.000 1.214 517 I CA -0.941 60.462 61.300 0.172 0.000 0.934 517 I CB 2.733 40.812 38.000 0.132 0.000 1.310 517 I HN 0.509 nan 8.210 nan 0.000 0.475 518 N N 1.434 120.171 118.700 0.061 0.000 2.342 518 N HA 0.772 5.230 4.740 -0.470 0.000 0.293 518 N C -1.676 173.832 175.510 -0.003 0.000 1.026 518 N CA -0.373 52.699 53.050 0.037 0.000 0.857 518 N CB 2.116 40.595 38.487 -0.013 0.000 1.256 518 N HN 0.513 nan 8.380 nan 0.000 0.484 519 L N 2.607 123.828 121.223 -0.003 0.000 2.439 519 L HA 0.352 4.410 4.340 -0.470 0.000 0.270 519 L C -0.620 175.851 176.870 -0.664 0.000 0.972 519 L CA -0.962 53.644 54.840 -0.391 0.000 0.836 519 L CB 1.373 43.173 42.059 -0.432 0.000 1.255 519 L HN 0.836 nan 8.230 nan 0.000 0.404 520 H N 0.588 119.723 119.070 0.108 0.000 2.557 520 H HA -0.183 4.091 4.556 -0.471 0.000 0.319 520 H C 0.985 176.344 175.328 0.051 0.000 1.102 520 H CA 0.632 56.718 56.048 0.063 0.000 1.126 520 H CB -1.980 27.805 29.762 0.040 0.000 1.498 520 H HN 1.067 nan 8.280 nan 0.000 0.411 521 G N -1.419 107.415 108.800 0.057 0.000 2.143 521 G HA2 -0.261 3.417 3.960 -0.470 0.000 0.248 521 G HA3 -0.261 3.417 3.960 -0.470 0.000 0.248 521 G C 0.212 175.112 174.900 -0.001 0.000 0.991 521 G CA 0.409 45.528 45.100 0.031 0.000 0.689 521 G HN 0.937 nan 8.290 nan 0.000 0.522 522 T N -0.078 114.459 114.554 -0.030 0.000 2.893 522 T HA 0.567 4.635 4.350 -0.470 0.000 0.293 522 T C -0.055 174.439 174.700 -0.343 0.000 1.027 522 T CA -0.298 61.675 62.100 -0.211 0.000 0.988 522 T CB 1.779 70.458 68.868 -0.314 0.000 1.043 522 T HN 0.666 nan 8.240 nan 0.000 0.461 523 K N 2.390 122.568 120.400 -0.370 0.000 2.211 523 K HA 0.655 4.693 4.320 -0.470 0.000 0.275 523 K C -1.387 175.010 176.600 -0.338 0.000 1.024 523 K CA -0.451 55.691 56.287 -0.243 0.000 0.887 523 K CB 0.576 32.978 32.500 -0.163 0.000 1.084 523 K HN 0.349 nan 8.250 nan 0.000 0.463 524 F N 1.820 121.891 119.950 0.200 0.000 2.561 524 F HA 0.470 4.716 4.527 -0.469 0.000 0.321 524 F C -0.541 175.485 175.800 0.377 0.000 1.065 524 F CA -0.837 57.349 58.000 0.310 0.000 0.934 524 F CB 1.146 40.344 39.000 0.330 0.000 1.215 524 F HN 0.485 nan 8.300 nan 0.000 0.471 525 W N 1.786 123.340 121.300 0.423 0.000 2.375 525 W HA 0.530 4.908 4.660 -0.471 0.000 0.336 525 W C -0.660 176.166 176.519 0.511 0.000 1.160 525 W CA -0.547 57.011 57.345 0.355 0.000 1.266 525 W CB 0.664 30.236 29.460 0.186 0.000 1.195 525 W HN 0.429 nan 8.180 nan 0.000 0.599 526 Y N -0.547 120.147 120.300 0.656 0.000 2.677 526 Y HA 0.710 4.977 4.550 -0.471 0.000 0.334 526 Y C -1.047 175.071 175.900 0.363 0.000 1.154 526 Y CA -1.865 56.592 58.100 0.594 0.000 1.070 526 Y CB 1.185 40.104 38.460 0.765 0.000 1.294 526 Y HN 0.554 nan 8.280 nan 0.000 0.475 527 Q N 1.630 121.664 119.800 0.390 0.000 2.416 527 Q HA 0.737 4.795 4.340 -0.470 0.000 0.281 527 Q C -1.928 174.170 176.000 0.163 0.000 1.067 527 Q CA -1.134 54.756 55.803 0.145 0.000 0.809 527 Q CB 3.272 32.076 28.738 0.110 0.000 1.418 527 Q HN 0.848 nan 8.270 nan 0.000 0.411 528 M N 2.285 121.901 119.600 0.027 0.000 2.393 528 M HA 0.469 4.667 4.480 -0.470 0.000 0.299 528 M C -1.312 174.903 176.300 -0.143 0.000 1.103 528 M CA -0.949 54.308 55.300 -0.071 0.000 0.910 528 M CB 2.294 34.812 32.600 -0.136 0.000 1.659 528 M HN 0.621 nan 8.290 nan 0.000 0.445 529 I N 5.039 125.516 120.570 -0.156 0.000 2.306 529 I HA 0.388 4.276 4.170 -0.470 0.000 0.288 529 I C -0.483 175.467 176.117 -0.278 0.000 1.036 529 I CA -0.336 60.854 61.300 -0.183 0.000 1.221 529 I CB 0.409 38.324 38.000 -0.142 0.000 1.385 529 I HN 0.619 nan 8.210 nan 0.000 0.472 530 L N 8.243 129.247 121.223 -0.364 0.000 2.343 530 L HA 0.507 4.565 4.340 -0.470 0.000 0.275 530 L C -2.212 174.463 176.870 -0.325 0.000 1.056 530 L CA -1.729 52.796 54.840 -0.526 0.000 0.804 530 L CB 0.946 42.487 42.059 -0.864 0.000 1.203 530 L HN 0.284 nan 8.230 nan 0.000 0.440 531 P HA 0.205 nan 4.420 nan 0.000 0.274 531 P C -2.554 174.701 177.300 -0.075 0.000 1.246 531 P CA -1.256 61.768 63.100 -0.126 0.000 0.795 531 P CB -0.068 31.609 31.700 -0.037 0.000 1.006 532 P HA 0.020 nan 4.420 nan 0.000 0.269 532 P C -0.504 176.708 177.300 -0.147 0.000 1.215 532 P CA 0.357 63.315 63.100 -0.236 0.000 0.780 532 P CB -0.323 31.136 31.700 -0.402 0.000 0.898 533 H N -1.884 117.230 119.070 0.073 0.000 2.741 533 H HA -0.226 4.048 4.556 -0.470 0.000 0.305 533 H C -0.086 175.309 175.328 0.110 0.000 1.169 533 H CA -0.498 55.594 56.048 0.074 0.000 1.144 533 H CB -2.154 27.644 29.762 0.059 0.000 1.397 533 H HN 0.305 nan 8.280 nan 0.000 0.409 534 F N 2.855 122.823 119.950 0.031 0.000 2.514 534 F HA -0.003 4.242 4.527 -0.470 0.000 0.399 534 F C 0.213 176.051 175.800 0.064 0.000 1.011 534 F CA -0.394 57.582 58.000 -0.040 0.000 1.109 534 F CB 0.228 39.093 39.000 -0.224 0.000 0.980 534 F HN 0.108 nan 8.300 nan 0.000 0.538 535 D N 6.288 126.465 120.400 -0.371 0.000 2.428 535 D HA 0.147 4.504 4.640 -0.470 0.000 0.221 535 D C 0.805 176.765 176.300 -0.566 0.000 1.123 535 D CA -0.464 53.340 54.000 -0.327 0.000 0.869 535 D CB 0.992 41.727 40.800 -0.108 0.000 1.032 535 D HN 0.410 nan 8.370 nan 0.000 0.506 536 K N 0.257 120.318 120.400 -0.564 0.000 2.362 536 K HA -0.233 3.805 4.320 -0.470 0.000 0.202 536 K C 1.637 178.206 176.600 -0.052 0.000 1.045 536 K CA 1.040 57.150 56.287 -0.294 0.000 0.936 536 K CB -0.434 32.041 32.500 -0.042 0.000 0.747 536 K HN 0.250 nan 8.250 nan 0.000 0.467 537 S N 0.333 115.979 115.700 -0.089 0.000 2.329 537 S HA -0.091 4.097 4.470 -0.470 0.000 0.215 537 S C 0.929 175.501 174.600 -0.047 0.000 1.031 537 S CA 0.215 58.388 58.200 -0.045 0.000 0.985 537 S CB -0.181 62.983 63.200 -0.060 0.000 0.917 537 S HN 0.470 nan 8.310 nan 0.000 0.441 538 K N 1.246 121.579 120.400 -0.110 0.000 2.234 538 K HA 0.050 4.087 4.320 -0.470 0.000 0.251 538 K C -0.805 175.703 176.600 -0.153 0.000 1.011 538 K CA 0.280 56.448 56.287 -0.198 0.000 0.889 538 K CB 0.253 32.527 32.500 -0.378 0.000 1.011 538 K HN 0.191 nan 8.250 nan 0.000 0.505 539 K N 2.390 122.661 120.400 -0.214 0.000 2.274 539 K HA 0.235 4.273 4.320 -0.470 0.000 0.262 539 K C -1.402 175.106 176.600 -0.153 0.000 0.961 539 K CA -0.614 55.637 56.287 -0.060 0.000 0.833 539 K CB 1.057 33.532 32.500 -0.043 0.000 1.102 539 K HN 0.351 nan 8.250 nan 0.000 0.436 540 Y N 2.285 122.622 120.300 0.062 0.000 2.528 540 Y HA 0.346 4.613 4.550 -0.471 0.000 0.335 540 Y C -2.077 173.770 175.900 -0.089 0.000 1.093 540 Y CA -2.845 55.260 58.100 0.008 0.000 1.134 540 Y CB 0.760 39.275 38.460 0.092 0.000 1.253 540 Y HN 0.458 nan 8.280 nan 0.000 0.478 541 P HA 0.177 nan 4.420 nan 0.000 0.279 541 P C -0.974 176.170 177.300 -0.259 0.000 1.239 541 P CA -0.115 62.713 63.100 -0.453 0.000 0.789 541 P CB 1.658 32.736 31.700 -1.038 0.000 0.933 542 L N 3.932 125.049 121.223 -0.177 0.000 2.334 542 L HA 0.556 4.614 4.340 -0.470 0.000 0.276 542 L C -0.712 176.287 176.870 0.216 0.000 1.014 542 L CA -1.230 53.632 54.840 0.036 0.000 0.815 542 L CB 1.547 43.648 42.059 0.070 0.000 1.268 542 L HN 0.317 nan 8.230 nan 0.000 0.428 543 L N 5.514 126.897 121.223 0.266 0.000 2.376 543 L HA 0.460 4.518 4.340 -0.470 0.000 0.275 543 L C -1.053 176.049 176.870 0.387 0.000 0.987 543 L CA -0.726 54.357 54.840 0.404 0.000 0.828 543 L CB 1.851 44.122 42.059 0.354 0.000 1.249 543 L HN 0.503 nan 8.230 nan 0.000 0.409 544 I N 4.163 125.024 120.570 0.485 0.000 2.312 544 I HA 0.257 4.145 4.170 -0.470 0.000 0.291 544 I C 0.256 176.626 176.117 0.422 0.000 1.031 544 I CA -0.068 61.505 61.300 0.454 0.000 1.293 544 I CB 1.391 39.719 38.000 0.547 0.000 1.403 544 I HN 0.668 nan 8.210 nan 0.000 0.484 545 E N 6.178 126.588 120.200 0.350 0.000 2.146 545 E HA 0.509 4.577 4.350 -0.470 0.000 0.282 545 E C -1.561 175.104 176.600 0.108 0.000 0.989 545 E CA -0.391 56.121 56.400 0.186 0.000 0.799 545 E CB 1.904 31.796 29.700 0.319 0.000 1.088 545 E HN 0.418 nan 8.360 nan 0.000 0.397 546 V N 5.197 125.102 119.914 -0.015 0.000 2.962 546 V HA 0.363 4.201 4.120 -0.470 0.000 0.313 546 V C -1.331 174.844 176.094 0.136 0.000 1.099 546 V CA -0.376 61.984 62.300 0.100 0.000 0.971 546 V CB 1.753 33.653 31.823 0.127 0.000 1.028 546 V HN 0.915 nan 8.190 nan 0.000 0.430 547 Y N 4.247 124.597 120.300 0.084 0.000 3.183 547 Y HA 0.589 4.856 4.550 -0.472 0.000 0.200 547 Y C 1.475 177.484 175.900 0.182 0.000 0.912 547 Y CA 1.467 59.649 58.100 0.136 0.000 1.642 547 Y CB 0.098 38.618 38.460 0.101 0.000 1.447 547 Y HN 1.142 nan 8.280 nan 0.000 0.421 548 A N 0.740 123.646 122.820 0.143 0.000 2.861 548 A HA -0.145 3.893 4.320 -0.470 0.000 0.261 548 A C 0.899 178.224 177.584 -0.432 0.000 1.351 548 A CA 0.953 52.976 52.037 -0.023 0.000 0.904 548 A CB -2.439 16.601 19.000 0.067 0.000 1.076 548 A HN 0.981 nan 8.150 nan 0.000 0.729 549 G N -0.322 107.979 108.800 -0.833 0.000 2.539 549 G HA2 0.515 4.192 3.960 -0.470 0.000 0.258 549 G HA3 0.515 4.192 3.960 -0.470 0.000 0.258 549 G C -1.831 172.725 174.900 -0.573 0.000 1.202 549 G CA -0.773 43.423 45.100 -1.507 0.000 0.851 549 G HN 0.384 nan 8.290 nan 0.000 0.556 550 P HA -0.077 nan 4.420 nan 0.000 0.259 550 P C 0.733 177.917 177.300 -0.193 0.000 1.163 550 P CA 0.394 63.210 63.100 -0.473 0.000 0.760 550 P CB 0.485 31.428 31.700 -1.263 0.000 0.762 551 C N 2.586 121.862 119.300 -0.040 0.000 4.432 551 C HA -0.141 4.037 4.460 -0.470 0.000 0.294 551 C C 0.900 175.953 174.990 0.106 0.000 1.398 551 C CA 1.073 60.047 59.018 -0.074 0.000 1.988 551 C CB -2.669 24.917 27.740 -0.256 0.000 1.251 551 C HN 0.817 nan 8.230 nan 0.000 0.791 552 S N -0.022 115.792 115.700 0.189 0.000 2.646 552 S HA 0.634 4.821 4.470 -0.470 0.000 0.276 552 S C -0.663 174.111 174.600 0.289 0.000 1.222 552 S CA -0.116 58.281 58.200 0.329 0.000 1.014 552 S CB 1.767 65.250 63.200 0.472 0.000 0.991 552 S HN 0.798 nan 8.310 nan 0.000 0.533 553 Q N 0.415 120.396 119.800 0.302 0.000 2.414 553 Q HA 0.349 4.407 4.340 -0.470 0.000 0.256 553 Q C -0.542 175.554 176.000 0.161 0.000 0.974 553 Q CA -0.609 55.351 55.803 0.261 0.000 0.723 553 Q CB 0.813 29.754 28.738 0.338 0.000 1.281 553 Q HN 0.633 nan 8.270 nan 0.000 0.470 554 K N 1.906 122.399 120.400 0.155 0.000 2.374 554 K HA 0.209 4.247 4.320 -0.470 0.000 0.196 554 K C -0.426 176.251 176.600 0.129 0.000 1.023 554 K CA 0.223 56.589 56.287 0.132 0.000 1.103 554 K CB 1.044 33.649 32.500 0.174 0.000 0.848 554 K HN 0.364 nan 8.250 nan 0.000 0.528 555 V N 3.405 123.400 119.914 0.135 0.000 2.304 555 V HA 0.162 4.000 4.120 -0.470 0.000 0.278 555 V C -0.629 175.505 176.094 0.066 0.000 1.018 555 V CA -0.919 61.462 62.300 0.135 0.000 0.814 555 V CB 1.133 33.087 31.823 0.218 0.000 1.021 555 V HN 0.252 nan 8.190 nan 0.000 0.440 556 D N 2.165 122.584 120.400 0.031 0.000 2.744 556 D HA 0.409 4.767 4.640 -0.470 0.000 0.304 556 D C 0.514 176.812 176.300 -0.003 0.000 1.179 556 D CA -0.090 53.919 54.000 0.015 0.000 1.024 556 D CB 1.598 42.400 40.800 0.004 0.000 1.453 556 D HN 0.310 nan 8.370 nan 0.000 0.529 557 T N -2.257 112.319 114.554 0.037 0.000 3.214 557 T HA 0.362 4.430 4.350 -0.470 0.000 0.264 557 T C 0.265 174.960 174.700 -0.008 0.000 1.012 557 T CA -0.456 61.672 62.100 0.048 0.000 0.901 557 T CB -0.736 68.202 68.868 0.117 0.000 1.070 557 T HN 0.252 nan 8.240 nan 0.000 0.561 558 V N 2.348 122.145 119.914 -0.196 0.000 2.775 558 V HA 0.370 4.208 4.120 -0.470 0.000 0.299 558 V C 0.060 176.134 176.094 -0.034 0.000 1.062 558 V CA -0.866 61.287 62.300 -0.245 0.000 1.063 558 V CB 0.453 31.972 31.823 -0.507 0.000 0.994 558 V HN 0.598 nan 8.190 nan 0.000 0.483 559 F N 5.903 125.811 119.950 -0.070 0.000 2.411 559 F HA 0.579 4.825 4.527 -0.469 0.000 0.350 559 F C 0.388 176.171 175.800 -0.027 0.000 1.114 559 F CA -0.427 57.546 58.000 -0.045 0.000 1.135 559 F CB 0.363 39.348 39.000 -0.026 0.000 1.120 559 F HN 0.391 nan 8.300 nan 0.000 0.495 560 R N 6.504 126.494 120.500 -0.851 0.000 2.538 560 R HA 0.385 4.443 4.340 -0.470 0.000 0.292 560 R C -1.758 174.119 176.300 -0.704 0.000 1.008 560 R CA -1.215 54.514 56.100 -0.619 0.000 0.896 560 R CB 1.876 32.003 30.300 -0.289 0.000 1.187 560 R HN 0.495 nan 8.270 nan 0.000 0.440 561 L N 3.271 124.211 121.223 -0.472 0.000 2.328 561 L HA 0.202 4.260 4.340 -0.470 0.000 0.280 561 L C 0.174 176.999 176.870 -0.074 0.000 1.111 561 L CA 0.325 54.978 54.840 -0.312 0.000 0.909 561 L CB 0.284 42.326 42.059 -0.028 0.000 1.277 561 L HN 0.698 nan 8.230 nan 0.000 0.433 562 S N 1.205 116.778 115.700 -0.211 0.000 2.726 562 S HA 0.261 4.449 4.470 -0.470 0.000 0.308 562 S C 0.654 174.972 174.600 -0.471 0.000 1.115 562 S CA -0.746 57.274 58.200 -0.301 0.000 0.965 562 S CB 0.639 63.743 63.200 -0.161 0.000 1.145 562 S HN 0.550 nan 8.310 nan 0.000 0.532 563 W N 1.340 121.997 121.300 -1.071 0.000 2.350 563 W HA -0.044 4.337 4.660 -0.464 0.000 0.289 563 W C 2.186 178.614 176.519 -0.152 0.000 1.215 563 W CA 1.882 58.795 57.345 -0.720 0.000 1.236 563 W CB -0.934 28.192 29.460 -0.556 0.000 1.130 563 W HN 0.840 nan 8.180 nan 0.000 0.541 564 A N -0.569 122.152 122.820 -0.166 0.000 1.969 564 A HA -0.158 3.880 4.320 -0.470 0.000 0.218 564 A C 1.939 179.388 177.584 -0.223 0.000 1.169 564 A CA 2.179 54.067 52.037 -0.248 0.000 0.635 564 A CB -1.242 17.711 19.000 -0.078 0.000 0.810 564 A HN 0.273 nan 8.150 nan 0.000 0.445 565 T N -1.160 113.297 114.554 -0.162 0.000 2.803 565 T HA -0.193 3.874 4.350 -0.470 0.000 0.269 565 T C 1.758 176.492 174.700 0.057 0.000 1.052 565 T CA 1.777 63.781 62.100 -0.161 0.000 1.136 565 T CB -0.399 68.219 68.868 -0.416 0.000 0.864 565 T HN 0.732 nan 8.240 nan 0.000 0.467 566 Y N 1.540 121.912 120.300 0.119 0.000 2.286 566 Y HA 0.203 4.470 4.550 -0.471 0.000 0.293 566 Y C 1.838 177.714 175.900 -0.040 0.000 1.124 566 Y CA 0.462 58.655 58.100 0.154 0.000 1.178 566 Y CB -0.643 37.910 38.460 0.154 0.000 1.010 566 Y HN 0.095 nan 8.280 nan 0.000 0.536 567 L N 0.198 120.939 121.223 -0.802 0.000 2.131 567 L HA -0.177 3.881 4.340 -0.470 0.000 0.210 567 L C 2.652 179.250 176.870 -0.454 0.000 1.092 567 L CA 1.288 55.615 54.840 -0.856 0.000 0.759 567 L CB -0.820 40.783 42.059 -0.760 0.000 0.903 567 L HN 0.446 nan 8.230 nan 0.000 0.435 568 A N -1.161 121.477 122.820 -0.303 0.000 1.871 568 A HA -0.134 3.904 4.320 -0.470 0.000 0.211 568 A C 2.475 179.982 177.584 -0.128 0.000 1.207 568 A CA 1.252 53.174 52.037 -0.192 0.000 0.620 568 A CB -0.606 18.281 19.000 -0.188 0.000 0.860 568 A HN 0.285 nan 8.150 nan 0.000 0.450 569 S N -0.579 115.067 115.700 -0.090 0.000 2.359 569 S HA -0.170 4.018 4.470 -0.470 0.000 0.223 569 S C 1.954 176.565 174.600 0.019 0.000 1.039 569 S CA 2.620 60.815 58.200 -0.009 0.000 1.042 569 S CB -0.530 62.730 63.200 0.099 0.000 0.915 569 S HN 0.572 nan 8.310 nan 0.000 0.439 570 T N 0.989 115.553 114.554 0.016 0.000 3.010 570 T HA 0.195 4.263 4.350 -0.470 0.000 0.252 570 T C 1.302 175.993 174.700 -0.015 0.000 1.047 570 T CA 0.556 62.695 62.100 0.065 0.000 1.140 570 T CB -0.058 68.977 68.868 0.278 0.000 0.885 570 T HN 0.356 nan 8.240 nan 0.000 0.464 571 E N 1.109 121.203 120.200 -0.177 0.000 2.481 571 E HA 0.192 4.260 4.350 -0.470 0.000 0.198 571 E C -0.087 176.489 176.600 -0.040 0.000 1.027 571 E CA -0.144 56.185 56.400 -0.118 0.000 0.900 571 E CB -0.157 29.404 29.700 -0.231 0.000 0.993 571 E HN 0.380 nan 8.360 nan 0.000 0.482 572 N N 0.793 119.480 118.700 -0.022 0.000 2.727 572 N HA -0.192 4.266 4.740 -0.470 0.000 0.249 572 N C -0.909 174.668 175.510 0.113 0.000 1.048 572 N CA 0.479 53.580 53.050 0.086 0.000 0.714 572 N CB -1.124 37.478 38.487 0.191 0.000 0.959 572 N HN 0.262 nan 8.380 nan 0.000 0.544 573 I N 0.498 121.055 120.570 -0.022 0.000 2.412 573 I HA 0.349 4.237 4.170 -0.470 0.000 0.296 573 I C 0.586 176.652 176.117 -0.085 0.000 0.987 573 I CA -0.870 60.416 61.300 -0.022 0.000 1.180 573 I CB 1.336 39.329 38.000 -0.012 0.000 1.340 573 I HN 0.008 nan 8.210 nan 0.000 0.455 574 I N 6.255 126.783 120.570 -0.070 0.000 2.371 574 I HA 0.190 4.078 4.170 -0.470 0.000 0.290 574 I C -0.513 175.575 176.117 -0.049 0.000 1.028 574 I CA -0.400 60.824 61.300 -0.127 0.000 1.345 574 I CB 1.229 39.160 38.000 -0.114 0.000 1.407 574 I HN 0.179 nan 8.210 nan 0.000 0.501 575 V N 6.798 126.671 119.914 -0.067 0.000 2.350 575 V HA 0.595 4.433 4.120 -0.470 0.000 0.285 575 V C 0.244 176.357 176.094 0.032 0.000 1.014 575 V CA -0.484 61.831 62.300 0.025 0.000 0.831 575 V CB 1.225 33.056 31.823 0.014 0.000 1.000 575 V HN 0.821 nan 8.190 nan 0.000 0.433 576 A N 3.880 126.750 122.820 0.084 0.000 2.337 576 A HA 0.928 4.966 4.320 -0.470 0.000 0.331 576 A C -0.109 177.616 177.584 0.234 0.000 1.137 576 A CA -0.473 51.607 52.037 0.072 0.000 0.807 576 A CB 1.620 20.531 19.000 -0.148 0.000 1.250 576 A HN 0.663 nan 8.150 nan 0.000 0.468 577 S N -0.079 115.797 115.700 0.294 0.000 2.548 577 S HA 0.764 4.951 4.470 -0.470 0.000 0.286 577 S C -1.545 173.387 174.600 0.553 0.000 1.098 577 S CA -0.274 58.146 58.200 0.366 0.000 0.930 577 S CB 1.240 64.597 63.200 0.262 0.000 1.070 577 S HN 0.750 nan 8.310 nan 0.000 0.480 578 F N 2.038 122.203 119.950 0.358 0.000 2.574 578 F HA 0.473 4.717 4.527 -0.471 0.000 0.313 578 F C -1.601 174.370 175.800 0.285 0.000 1.130 578 F CA -0.967 57.268 58.000 0.392 0.000 0.936 578 F CB 1.520 40.756 39.000 0.393 0.000 1.219 578 F HN 0.375 nan 8.300 nan 0.000 0.445 579 D N 4.697 124.737 120.400 -0.600 0.000 2.467 579 D HA 0.390 4.747 4.640 -0.470 0.000 0.220 579 D C 0.420 176.172 176.300 -0.913 0.000 1.103 579 D CA 0.134 53.848 54.000 -0.477 0.000 0.886 579 D CB 1.398 42.179 40.800 -0.033 0.000 1.025 579 D HN 0.765 nan 8.370 nan 0.000 0.514 580 G N 1.261 109.499 108.800 -0.937 0.000 2.773 580 G HA2 0.277 3.954 3.960 -0.470 0.000 0.186 580 G HA3 0.277 3.954 3.960 -0.470 0.000 0.186 580 G C 0.163 174.796 174.900 -0.446 0.000 1.411 580 G CA -0.691 43.801 45.100 -1.014 0.000 1.054 580 G HN 0.276 nan 8.290 nan 0.000 0.579 581 R N -0.634 119.690 120.500 -0.293 0.000 2.623 581 R HA 0.373 4.431 4.340 -0.470 0.000 0.271 581 R C 1.245 177.591 176.300 0.076 0.000 1.043 581 R CA 1.314 57.447 56.100 0.055 0.000 1.083 581 R CB 0.482 30.866 30.300 0.140 0.000 0.974 581 R HN 1.032 nan 8.270 nan 0.000 0.436 582 G N 0.986 109.852 108.800 0.109 0.000 2.268 582 G HA2 -0.345 3.333 3.960 -0.470 0.000 0.240 582 G HA3 -0.345 3.333 3.960 -0.470 0.000 0.240 582 G C 0.204 175.127 174.900 0.038 0.000 1.010 582 G CA 0.205 45.355 45.100 0.084 0.000 0.618 582 G HN 0.736 nan 8.290 nan 0.000 0.516 583 S N 0.587 116.307 115.700 0.033 0.000 2.589 583 S HA 0.607 4.795 4.470 -0.470 0.000 0.265 583 S C 1.061 175.666 174.600 0.007 0.000 1.342 583 S CA 0.576 58.800 58.200 0.040 0.000 1.005 583 S CB 1.541 64.779 63.200 0.063 0.000 0.909 583 S HN 1.678 nan 8.310 nan 0.000 0.555 584 G N -0.880 107.897 108.800 -0.039 0.000 2.583 584 G HA2 0.458 4.135 3.960 -0.470 0.000 0.280 584 G HA3 0.458 4.135 3.960 -0.470 0.000 0.280 584 G C -0.847 173.950 174.900 -0.171 0.000 1.376 584 G CA -1.005 43.926 45.100 -0.282 0.000 1.043 584 G HN 0.906 nan 8.290 nan 0.000 0.538 585 Y N -1.844 118.473 120.300 0.028 0.000 3.978 585 Y HA -0.214 4.053 4.550 -0.471 0.000 0.219 585 Y C 1.237 177.161 175.900 0.040 0.000 1.153 585 Y CA 1.220 59.340 58.100 0.033 0.000 1.718 585 Y CB -2.127 36.372 38.460 0.064 0.000 1.541 585 Y HN 0.493 nan 8.280 nan 0.000 0.640 586 Q N -0.418 119.396 119.800 0.023 0.000 2.038 586 Q HA 0.477 4.535 4.340 -0.470 0.000 0.240 586 Q C 0.841 176.659 176.000 -0.303 0.000 0.831 586 Q CA 0.114 55.936 55.803 0.031 0.000 1.068 586 Q CB 1.363 30.162 28.738 0.101 0.000 1.241 586 Q HN 0.592 nan 8.270 nan 0.000 0.435 587 G N 0.854 109.346 108.800 -0.513 0.000 2.758 587 G HA2 -0.215 3.463 3.960 -0.470 0.000 0.686 587 G HA3 -0.215 3.463 3.960 -0.470 0.000 0.686 587 G C -0.240 174.261 174.900 -0.664 0.000 1.389 587 G CA -0.395 44.144 45.100 -0.936 0.000 0.845 587 G HN 0.212 nan 8.290 nan 0.000 0.572 588 D N 0.079 120.059 120.400 -0.700 0.000 2.219 588 D HA -0.065 4.293 4.640 -0.470 0.000 0.205 588 D C 2.163 178.140 176.300 -0.540 0.000 0.970 588 D CA 1.344 54.847 54.000 -0.829 0.000 0.851 588 D CB -0.017 40.252 40.800 -0.884 0.000 0.943 588 D HN 0.641 nan 8.370 nan 0.000 0.488 589 K N 0.679 120.861 120.400 -0.365 0.000 2.063 589 K HA -0.116 3.922 4.320 -0.470 0.000 0.208 589 K C 1.993 178.529 176.600 -0.106 0.000 1.048 589 K CA 0.916 57.092 56.287 -0.184 0.000 0.928 589 K CB 0.034 32.453 32.500 -0.134 0.000 0.713 589 K HN 0.075 nan 8.250 nan 0.000 0.442 590 I N 0.511 121.009 120.570 -0.120 0.000 2.277 590 I HA -0.221 3.667 4.170 -0.470 0.000 0.243 590 I C 2.640 178.760 176.117 0.005 0.000 1.094 590 I CA 0.997 62.313 61.300 0.026 0.000 1.393 590 I CB -0.386 37.660 38.000 0.077 0.000 1.078 590 I HN 0.358 nan 8.210 nan 0.000 0.417 591 M N 0.290 119.806 119.600 -0.140 0.000 2.159 591 M HA -0.213 3.985 4.480 -0.470 0.000 0.263 591 M C 1.912 178.219 176.300 0.011 0.000 1.063 591 M CA 1.935 57.166 55.300 -0.116 0.000 1.110 591 M CB -0.295 32.125 32.600 -0.300 0.000 1.374 591 M HN 0.259 nan 8.290 nan 0.000 0.411 592 H N -0.881 118.057 119.070 -0.220 0.000 2.539 592 H HA 0.207 4.481 4.556 -0.470 0.000 0.267 592 H C 1.912 177.257 175.328 0.028 0.000 0.982 592 H CA 0.094 56.029 56.048 -0.190 0.000 1.146 592 H CB 0.201 29.770 29.762 -0.323 0.000 1.382 592 H HN 0.521 nan 8.280 nan 0.000 0.577 593 A N 1.732 124.665 122.820 0.189 0.000 1.948 593 A HA -0.174 3.864 4.320 -0.470 0.000 0.220 593 A C 2.080 179.893 177.584 0.381 0.000 1.177 593 A CA 1.410 53.607 52.037 0.267 0.000 0.636 593 A CB -0.723 18.420 19.000 0.237 0.000 0.815 593 A HN 0.582 nan 8.150 nan 0.000 0.449 594 I N -2.857 117.875 120.570 0.269 0.000 3.861 594 I HA 0.144 4.032 4.170 -0.470 0.000 0.329 594 I C 0.439 176.604 176.117 0.080 0.000 1.321 594 I CA -0.414 60.957 61.300 0.119 0.000 1.126 594 I CB -0.802 37.234 38.000 0.059 0.000 1.018 594 I HN 0.256 nan 8.210 nan 0.000 0.407 595 N N 2.857 121.659 118.700 0.169 0.000 2.357 595 N HA -0.078 4.380 4.740 -0.470 0.000 0.257 595 N C 0.186 175.686 175.510 -0.015 0.000 1.250 595 N CA 0.170 53.311 53.050 0.152 0.000 0.862 595 N CB 0.326 38.875 38.487 0.103 0.000 1.066 595 N HN 0.366 nan 8.380 nan 0.000 0.468 596 R N 0.267 120.725 120.500 -0.070 0.000 3.932 596 R HA -0.211 3.847 4.340 -0.470 0.000 0.318 596 R C -0.263 175.910 176.300 -0.213 0.000 1.219 596 R CA 1.524 57.521 56.100 -0.172 0.000 0.889 596 R CB -1.510 28.681 30.300 -0.183 0.000 1.309 596 R HN 0.775 nan 8.270 nan 0.000 0.537 597 R N -0.421 119.986 120.500 -0.155 0.000 2.533 597 R HA 0.243 4.301 4.340 -0.470 0.000 0.268 597 R C -0.551 175.692 176.300 -0.094 0.000 1.303 597 R CA -0.692 55.365 56.100 -0.072 0.000 1.429 597 R CB 0.174 30.411 30.300 -0.105 0.000 1.361 597 R HN -0.028 nan 8.270 nan 0.000 0.745 598 L N 1.017 122.163 121.223 -0.127 0.000 2.485 598 L HA 0.257 4.315 4.340 -0.470 0.000 0.275 598 L C 1.226 178.216 176.870 0.200 0.000 1.207 598 L CA 1.465 56.292 54.840 -0.023 0.000 0.855 598 L CB 0.630 42.513 42.059 -0.293 0.000 1.114 598 L HN 0.861 nan 8.230 nan 0.000 0.485 599 G N 0.838 109.809 108.800 0.285 0.000 2.175 599 G HA2 -0.301 3.377 3.960 -0.470 0.000 0.244 599 G HA3 -0.301 3.377 3.960 -0.470 0.000 0.244 599 G C 0.519 175.433 174.900 0.023 0.000 0.982 599 G CA 0.563 45.772 45.100 0.182 0.000 0.641 599 G HN 0.794 nan 8.290 nan 0.000 0.527 600 T N -2.610 111.923 114.554 -0.036 0.000 3.507 600 T HA 0.472 4.540 4.350 -0.470 0.000 0.197 600 T C 1.762 176.449 174.700 -0.022 0.000 0.847 600 T CA 1.136 63.156 62.100 -0.135 0.000 1.531 600 T CB -0.225 68.398 68.868 -0.409 0.000 1.834 600 T HN 0.168 nan 8.240 nan 0.000 0.433 601 F N 3.515 123.494 119.950 0.049 0.000 2.126 601 F HA 0.036 4.281 4.527 -0.469 0.000 0.299 601 F C 2.843 178.666 175.800 0.039 0.000 1.096 601 F CA 1.192 59.210 58.000 0.031 0.000 1.255 601 F CB -1.029 37.977 39.000 0.010 0.000 0.997 601 F HN 0.511 nan 8.300 nan 0.000 0.479 602 E N 1.117 121.440 120.200 0.205 0.000 2.110 602 E HA -0.146 3.922 4.350 -0.470 0.000 0.193 602 E C 2.132 178.805 176.600 0.121 0.000 0.988 602 E CA 1.655 58.135 56.400 0.133 0.000 0.804 602 E CB -1.206 28.554 29.700 0.100 0.000 0.745 602 E HN 0.296 nan 8.360 nan 0.000 0.458 603 V N 1.764 121.735 119.914 0.094 0.000 2.307 603 V HA -0.215 3.623 4.120 -0.470 0.000 0.245 603 V C 2.427 178.559 176.094 0.063 0.000 1.045 603 V CA 2.175 64.496 62.300 0.036 0.000 1.024 603 V CB -0.617 31.183 31.823 -0.039 0.000 0.651 603 V HN 0.230 nan 8.190 nan 0.000 0.449 604 E N 0.079 120.341 120.200 0.102 0.000 2.077 604 E HA -0.235 3.833 4.350 -0.470 0.000 0.193 604 E C 1.945 178.624 176.600 0.132 0.000 0.989 604 E CA 1.470 57.943 56.400 0.122 0.000 0.800 604 E CB -0.205 29.602 29.700 0.179 0.000 0.746 604 E HN 0.579 nan 8.360 nan 0.000 0.452 605 D N 0.496 120.996 120.400 0.167 0.000 2.178 605 D HA -0.138 4.220 4.640 -0.470 0.000 0.201 605 D C 1.993 178.394 176.300 0.169 0.000 0.980 605 D CA 0.784 54.890 54.000 0.177 0.000 0.842 605 D CB -0.124 40.782 40.800 0.176 0.000 0.948 605 D HN 0.108 nan 8.370 nan 0.000 0.472 606 Q N 0.127 120.046 119.800 0.198 0.000 2.124 606 Q HA -0.047 4.010 4.340 -0.470 0.000 0.202 606 Q C 2.521 178.594 176.000 0.120 0.000 0.977 606 Q CA 0.543 56.473 55.803 0.212 0.000 0.850 606 Q CB -0.044 28.808 28.738 0.190 0.000 0.901 606 Q HN 0.443 nan 8.270 nan 0.000 0.429 607 I N 0.638 121.273 120.570 0.109 0.000 2.315 607 I HA -0.209 3.679 4.170 -0.470 0.000 0.248 607 I C 2.237 178.347 176.117 -0.012 0.000 1.117 607 I CA 0.860 62.241 61.300 0.135 0.000 1.404 607 I CB -0.169 37.902 38.000 0.118 0.000 1.071 607 I HN 0.115 nan 8.210 nan 0.000 0.419 608 E N 1.107 121.261 120.200 -0.077 0.000 2.046 608 E HA -0.144 3.924 4.350 -0.470 0.000 0.190 608 E C 2.348 178.710 176.600 -0.396 0.000 0.982 608 E CA 1.330 57.625 56.400 -0.174 0.000 0.800 608 E CB -0.226 29.399 29.700 -0.125 0.000 0.756 608 E HN 0.432 nan 8.360 nan 0.000 0.449 609 A N 0.897 123.361 122.820 -0.594 0.000 1.859 609 A HA -0.232 3.806 4.320 -0.470 0.000 0.217 609 A C 2.506 179.274 177.584 -1.361 0.000 1.198 609 A CA 2.617 53.944 52.037 -1.183 0.000 0.629 609 A CB -1.201 16.851 19.000 -1.580 0.000 0.830 609 A HN 0.277 nan 8.150 nan 0.000 0.446 610 T N -0.897 113.199 114.554 -0.763 0.000 2.684 610 T HA -0.184 3.883 4.350 -0.470 0.000 0.267 610 T C 2.041 176.528 174.700 -0.355 0.000 1.036 610 T CA 1.678 63.536 62.100 -0.404 0.000 1.148 610 T CB -0.268 68.588 68.868 -0.020 0.000 0.863 610 T HN 0.507 nan 8.240 nan 0.000 0.436 611 R N 0.661 120.982 120.500 -0.300 0.000 2.154 611 R HA -0.149 3.909 4.340 -0.470 0.000 0.248 611 R C 2.580 178.735 176.300 -0.243 0.000 1.155 611 R CA 1.545 57.510 56.100 -0.225 0.000 0.979 611 R CB -0.082 30.117 30.300 -0.169 0.000 0.869 611 R HN 0.558 nan 8.270 nan 0.000 0.452 612 Q N -1.284 118.297 119.800 -0.365 0.000 2.061 612 Q HA -0.075 3.983 4.340 -0.470 0.000 0.195 612 Q C 1.868 177.747 176.000 -0.202 0.000 0.967 612 Q CA 1.030 56.648 55.803 -0.310 0.000 0.829 612 Q CB -0.075 28.423 28.738 -0.399 0.000 0.900 612 Q HN 0.243 nan 8.270 nan 0.000 0.450 613 F N 1.646 121.438 119.950 -0.264 0.000 2.111 613 F HA -0.281 3.963 4.527 -0.471 0.000 0.300 613 F C 2.738 178.386 175.800 -0.252 0.000 1.088 613 F CA 1.568 59.411 58.000 -0.262 0.000 1.243 613 F CB -1.488 37.385 39.000 -0.212 0.000 0.996 613 F HN 0.118 nan 8.300 nan 0.000 0.483 614 S N -0.257 115.422 115.700 -0.036 0.000 2.399 614 S HA -0.194 3.994 4.470 -0.470 0.000 0.231 614 S C 1.738 176.256 174.600 -0.136 0.000 1.022 614 S CA 1.096 59.238 58.200 -0.097 0.000 0.983 614 S CB -0.604 62.525 63.200 -0.119 0.000 0.803 614 S HN 0.454 nan 8.310 nan 0.000 0.480 615 K N 0.514 120.829 120.400 -0.141 0.000 2.486 615 K HA 0.278 4.316 4.320 -0.470 0.000 0.194 615 K C 1.595 178.086 176.600 -0.181 0.000 1.033 615 K CA 0.388 56.593 56.287 -0.138 0.000 1.004 615 K CB -0.252 32.179 32.500 -0.114 0.000 0.798 615 K HN 0.438 nan 8.250 nan 0.000 0.495 616 M N -0.207 119.222 119.600 -0.284 0.000 2.700 616 M HA -0.057 4.141 4.480 -0.470 0.000 0.249 616 M C 1.284 177.264 176.300 -0.533 0.000 1.082 616 M CA 1.091 56.107 55.300 -0.472 0.000 1.077 616 M CB -0.170 31.944 32.600 -0.810 0.000 1.477 616 M HN 0.517 nan 8.290 nan 0.000 0.529 617 G N 0.948 109.551 108.800 -0.328 0.000 2.328 617 G HA2 -0.346 3.332 3.960 -0.470 0.000 0.256 617 G HA3 -0.346 3.332 3.960 -0.470 0.000 0.256 617 G C 0.571 175.440 174.900 -0.052 0.000 1.014 617 G CA 0.735 45.739 45.100 -0.161 0.000 0.620 617 G HN 0.626 nan 8.290 nan 0.000 0.530 618 F N 0.446 120.469 119.950 0.121 0.000 2.695 618 F HA 0.739 4.984 4.527 -0.471 0.000 0.303 618 F C 0.556 176.508 175.800 0.253 0.000 1.091 618 F CA -1.137 56.984 58.000 0.201 0.000 1.300 618 F CB -0.132 39.065 39.000 0.327 0.000 1.071 618 F HN 0.113 nan 8.300 nan 0.000 0.578 619 V N 2.035 122.011 119.914 0.103 0.000 2.472 619 V HA 0.217 4.055 4.120 -0.470 0.000 0.290 619 V C -0.698 175.412 176.094 0.028 0.000 1.037 619 V CA -0.747 61.621 62.300 0.113 0.000 0.908 619 V CB 1.475 33.284 31.823 -0.023 0.000 0.985 619 V HN 0.125 nan 8.190 nan 0.000 0.454 620 D N 3.606 124.018 120.400 0.020 0.000 2.380 620 D HA 0.091 4.449 4.640 -0.470 0.000 0.230 620 D C 1.048 177.312 176.300 -0.061 0.000 1.154 620 D CA -0.499 53.479 54.000 -0.037 0.000 0.859 620 D CB 1.122 41.884 40.800 -0.064 0.000 1.045 620 D HN 0.691 nan 8.370 nan 0.000 0.495 621 D N 3.258 123.621 120.400 -0.062 0.000 2.351 621 D HA -0.187 4.171 4.640 -0.470 0.000 0.216 621 D C 0.788 177.052 176.300 -0.060 0.000 0.968 621 D CA 0.628 54.584 54.000 -0.074 0.000 0.899 621 D CB 0.137 40.891 40.800 -0.076 0.000 0.907 621 D HN 0.416 nan 8.370 nan 0.000 0.514 622 K N -0.185 120.188 120.400 -0.046 0.000 2.418 622 K HA 0.109 4.147 4.320 -0.470 0.000 0.195 622 K C 0.631 177.232 176.600 0.002 0.000 1.035 622 K CA 0.195 56.470 56.287 -0.020 0.000 1.003 622 K CB 0.458 32.948 32.500 -0.016 0.000 0.793 622 K HN 0.024 nan 8.250 nan 0.000 0.494 623 R N 1.211 121.683 120.500 -0.045 0.000 2.629 623 R HA 0.351 4.409 4.340 -0.470 0.000 0.277 623 R C -0.957 175.285 176.300 -0.098 0.000 1.637 623 R CA -0.132 55.930 56.100 -0.063 0.000 1.663 623 R CB 0.641 30.766 30.300 -0.292 0.000 1.228 623 R HN -0.006 nan 8.270 nan 0.000 0.632 624 I N 0.965 121.603 120.570 0.113 0.000 2.433 624 I HA 0.651 4.539 4.170 -0.470 0.000 0.292 624 I C -0.065 176.297 176.117 0.409 0.000 1.001 624 I CA -0.851 60.534 61.300 0.141 0.000 1.119 624 I CB 2.019 39.926 38.000 -0.154 0.000 1.289 624 I HN 0.328 nan 8.210 nan 0.000 0.438 625 A N 6.703 129.885 122.820 0.604 0.000 2.532 625 A HA 0.902 4.940 4.320 -0.470 0.000 0.290 625 A C -1.370 176.655 177.584 0.736 0.000 1.143 625 A CA -0.610 51.825 52.037 0.663 0.000 0.728 625 A CB 2.226 21.497 19.000 0.452 0.000 1.317 625 A HN 0.715 nan 8.150 nan 0.000 0.414 626 I N 0.699 121.622 120.570 0.588 0.000 2.686 626 I HA 0.721 4.609 4.170 -0.470 0.000 0.295 626 I C -1.864 174.530 176.117 0.462 0.000 1.114 626 I CA -0.621 60.938 61.300 0.431 0.000 1.038 626 I CB 1.704 39.686 38.000 -0.030 0.000 1.238 626 I HN 0.923 nan 8.210 nan 0.000 0.420 627 W N 7.137 128.594 121.300 0.261 0.000 3.167 627 W HA 0.833 5.208 4.660 -0.475 0.000 0.324 627 W C -1.490 175.192 176.519 0.272 0.000 1.230 627 W CA -0.973 56.526 57.345 0.258 0.000 1.184 627 W CB 1.198 30.865 29.460 0.345 0.000 1.414 627 W HN 0.782 nan 8.180 nan 0.000 0.551 628 G N 1.154 109.887 108.800 -0.112 0.000 2.623 628 G HA2 0.507 4.185 3.960 -0.470 0.000 0.290 628 G HA3 0.507 4.185 3.960 -0.470 0.000 0.290 628 G C -2.809 172.047 174.900 -0.073 0.000 1.437 628 G CA -0.710 44.184 45.100 -0.343 0.000 0.798 628 G HN 0.595 nan 8.290 nan 0.000 0.488 629 W N 1.001 122.194 121.300 -0.179 0.000 2.702 629 W HA 0.555 4.937 4.660 -0.463 0.000 0.331 629 W C 0.856 177.431 176.519 0.092 0.000 1.049 629 W CA 0.319 57.651 57.345 -0.021 0.000 1.230 629 W CB 1.903 31.357 29.460 -0.011 0.000 1.408 629 W HN 1.438 nan 8.180 nan 0.000 0.492 630 S N 3.483 119.413 115.700 0.384 0.000 4.150 630 S HA -0.446 3.742 4.470 -0.470 0.000 0.575 630 S C 1.148 175.837 174.600 0.148 0.000 1.878 630 S CA 2.014 60.427 58.200 0.355 0.000 4.245 630 S CB -1.869 61.693 63.200 0.605 0.000 0.231 630 S HN 0.754 nan 8.310 nan 0.000 0.469 631 Y N 2.758 123.077 120.300 0.032 0.000 2.207 631 Y HA 0.072 4.341 4.550 -0.468 0.000 0.287 631 Y C 2.611 178.458 175.900 -0.088 0.000 1.156 631 Y CA 2.718 60.734 58.100 -0.139 0.000 1.182 631 Y CB -1.139 36.957 38.460 -0.607 0.000 0.979 631 Y HN 0.609 nan 8.280 nan 0.000 0.521 632 G N -1.017 107.849 108.800 0.110 0.000 2.422 632 G HA2 -0.242 3.435 3.960 -0.470 0.000 0.218 632 G HA3 -0.242 3.435 3.960 -0.470 0.000 0.218 632 G C 1.942 176.882 174.900 0.067 0.000 1.146 632 G CA 0.772 45.940 45.100 0.114 0.000 0.769 632 G HN 0.579 nan 8.290 nan 0.000 0.547 633 G N -0.281 108.564 108.800 0.076 0.000 2.408 633 G HA2 -0.225 3.453 3.960 -0.470 0.000 0.217 633 G HA3 -0.225 3.453 3.960 -0.470 0.000 0.217 633 G C 1.608 176.545 174.900 0.062 0.000 1.150 633 G CA 1.146 46.278 45.100 0.053 0.000 0.776 633 G HN 0.434 nan 8.290 nan 0.000 0.542 634 Y N 1.331 121.542 120.300 -0.148 0.000 2.109 634 Y HA -0.067 4.200 4.550 -0.472 0.000 0.285 634 Y C 2.773 178.598 175.900 -0.126 0.000 1.131 634 Y CA 1.424 59.389 58.100 -0.224 0.000 1.121 634 Y CB -0.586 37.579 38.460 -0.492 0.000 0.987 634 Y HN 0.016 nan 8.280 nan 0.000 0.495 635 V N 0.032 119.801 119.914 -0.243 0.000 2.287 635 V HA -0.369 3.469 4.120 -0.470 0.000 0.248 635 V C 2.354 178.339 176.094 -0.181 0.000 1.053 635 V CA 2.537 64.695 62.300 -0.236 0.000 1.027 635 V CB -1.327 30.518 31.823 0.036 0.000 0.646 635 V HN 0.512 nan 8.190 nan 0.000 0.447 636 T N -0.077 114.432 114.554 -0.076 0.000 2.635 636 T HA -0.239 3.829 4.350 -0.470 0.000 0.267 636 T C 2.135 176.802 174.700 -0.054 0.000 1.040 636 T CA 2.134 64.205 62.100 -0.048 0.000 1.156 636 T CB -0.339 68.574 68.868 0.075 0.000 0.863 636 T HN 0.536 nan 8.240 nan 0.000 0.430 637 S N 0.999 116.710 115.700 0.017 0.000 2.359 637 S HA -0.063 4.125 4.470 -0.470 0.000 0.224 637 S C 2.153 176.723 174.600 -0.050 0.000 1.035 637 S CA 1.076 59.330 58.200 0.090 0.000 1.018 637 S CB -0.314 62.970 63.200 0.140 0.000 0.876 637 S HN 0.327 nan 8.310 nan 0.000 0.448 638 M N 0.903 120.371 119.600 -0.219 0.000 2.159 638 M HA -0.027 4.171 4.480 -0.470 0.000 0.263 638 M C 2.226 178.380 176.300 -0.244 0.000 1.063 638 M CA 1.008 56.155 55.300 -0.256 0.000 1.110 638 M CB -1.521 30.827 32.600 -0.420 0.000 1.374 638 M HN 0.170 nan 8.290 nan 0.000 0.411 639 V N 0.707 120.466 119.914 -0.259 0.000 2.295 639 V HA -0.252 3.586 4.120 -0.470 0.000 0.246 639 V C 2.544 178.438 176.094 -0.333 0.000 1.049 639 V CA 1.491 63.620 62.300 -0.285 0.000 1.024 639 V CB -0.638 30.938 31.823 -0.411 0.000 0.648 639 V HN 0.407 nan 8.190 nan 0.000 0.447 640 L N 0.297 121.279 121.223 -0.402 0.000 2.191 640 L HA -0.076 3.982 4.340 -0.470 0.000 0.212 640 L C 2.352 178.745 176.870 -0.794 0.000 1.103 640 L CA 1.489 56.026 54.840 -0.505 0.000 0.769 640 L CB -0.815 40.938 42.059 -0.510 0.000 0.908 640 L HN 0.500 nan 8.230 nan 0.000 0.438 641 G N -1.212 107.098 108.800 -0.816 0.000 2.920 641 G HA2 0.061 3.739 3.960 -0.470 0.000 0.208 641 G HA3 0.061 3.739 3.960 -0.470 0.000 0.208 641 G C 1.637 176.355 174.900 -0.303 0.000 1.159 641 G CA 0.573 45.260 45.100 -0.688 0.000 0.784 641 G HN 0.409 nan 8.290 nan 0.000 0.535 642 A N 0.229 122.903 122.820 -0.243 0.000 1.929 642 A HA 0.407 4.445 4.320 -0.470 0.000 0.216 642 A C 2.118 179.647 177.584 -0.092 0.000 1.176 642 A CA 1.617 53.578 52.037 -0.127 0.000 0.628 642 A CB -0.538 18.408 19.000 -0.089 0.000 0.816 642 A HN 1.534 nan 8.150 nan 0.000 0.444 643 G N -0.540 108.197 108.800 -0.105 0.000 2.171 643 G HA2 -0.221 3.457 3.960 -0.470 0.000 0.238 643 G HA3 -0.221 3.457 3.960 -0.470 0.000 0.238 643 G C 0.828 175.720 174.900 -0.014 0.000 1.039 643 G CA 1.168 46.233 45.100 -0.059 0.000 0.759 643 G HN 1.509 nan 8.290 nan 0.000 0.501 644 S N -0.739 114.970 115.700 0.016 0.000 2.561 644 S HA 0.350 4.538 4.470 -0.470 0.000 0.225 644 S C 2.475 177.099 174.600 0.040 0.000 0.977 644 S CA 1.412 59.638 58.200 0.044 0.000 0.926 644 S CB -0.031 63.231 63.200 0.102 0.000 0.769 644 S HN 2.368 nan 8.310 nan 0.000 0.533 645 G N 0.458 109.283 108.800 0.042 0.000 2.228 645 G HA2 -0.345 3.333 3.960 -0.470 0.000 0.270 645 G HA3 -0.345 3.333 3.960 -0.470 0.000 0.270 645 G C 0.862 175.776 174.900 0.023 0.000 0.976 645 G CA 0.609 45.727 45.100 0.030 0.000 0.636 645 G HN 0.661 nan 8.290 nan 0.000 0.542 646 V N -0.271 119.662 119.914 0.033 0.000 2.323 646 V HA 0.194 4.032 4.120 -0.470 0.000 0.244 646 V C 1.440 177.398 176.094 -0.227 0.000 1.041 646 V CA 1.695 63.921 62.300 -0.123 0.000 1.025 646 V CB -0.435 31.262 31.823 -0.210 0.000 0.656 646 V HN 0.283 nan 8.190 nan 0.000 0.451 647 F N 0.215 120.194 119.950 0.048 0.000 2.394 647 F HA 0.357 4.603 4.527 -0.468 0.000 0.340 647 F C 1.164 177.022 175.800 0.097 0.000 1.105 647 F CA -0.308 57.748 58.000 0.094 0.000 1.124 647 F CB 1.033 40.093 39.000 0.100 0.000 1.145 647 F HN -0.189 nan 8.300 nan 0.000 0.505 648 K N 1.590 122.160 120.400 0.284 0.000 2.166 648 K HA 0.129 4.166 4.320 -0.470 0.000 0.201 648 K C -0.131 176.612 176.600 0.238 0.000 1.052 648 K CA 0.812 57.231 56.287 0.219 0.000 0.969 648 K CB 0.292 32.915 32.500 0.205 0.000 0.761 648 K HN 0.804 nan 8.250 nan 0.000 0.459 649 c N -2.669 116.115 118.600 0.307 0.000 3.332 649 c HA 0.910 5.198 4.570 -0.470 0.000 0.329 649 c C -0.217 174.128 174.090 0.425 0.000 1.434 649 c CA -0.648 55.885 56.329 0.340 0.000 1.314 649 c CB 1.105 43.745 42.510 0.216 0.000 1.664 649 c HN 0.342 nan 8.230 nan 0.000 0.457 650 G N -0.088 109.017 108.800 0.509 0.000 2.632 650 G HA2 0.692 4.370 3.960 -0.470 0.000 0.292 650 G HA3 0.692 4.370 3.960 -0.470 0.000 0.292 650 G C -1.975 173.123 174.900 0.330 0.000 1.465 650 G CA -0.665 44.698 45.100 0.437 0.000 0.824 650 G HN 0.995 nan 8.290 nan 0.000 0.509 651 I N 0.824 121.554 120.570 0.267 0.000 2.466 651 I HA 0.624 4.512 4.170 -0.470 0.000 0.289 651 I C 0.168 176.372 176.117 0.146 0.000 1.026 651 I CA -0.961 60.364 61.300 0.041 0.000 1.078 651 I CB 2.152 40.168 38.000 0.028 0.000 1.249 651 I HN 0.668 nan 8.210 nan 0.000 0.429 652 A N 6.353 129.144 122.820 -0.048 0.000 2.331 652 A HA 0.837 4.875 4.320 -0.470 0.000 0.320 652 A C -0.835 176.657 177.584 -0.153 0.000 1.138 652 A CA -0.528 51.508 52.037 -0.002 0.000 0.790 652 A CB 1.435 20.495 19.000 0.100 0.000 1.206 652 A HN 0.443 nan 8.150 nan 0.000 0.470 653 V N 1.799 121.580 119.914 -0.222 0.000 2.487 653 V HA 0.597 4.434 4.120 -0.470 0.000 0.298 653 V C 0.808 176.524 176.094 -0.630 0.000 1.028 653 V CA 0.273 62.255 62.300 -0.530 0.000 0.860 653 V CB 1.011 32.250 31.823 -0.972 0.000 0.991 653 V HN 2.195 nan 8.190 nan 0.000 0.427 654 A N 5.378 127.757 122.820 -0.735 0.000 2.511 654 A HA -0.099 3.938 4.320 -0.470 0.000 0.297 654 A C -1.826 175.534 177.584 -0.374 0.000 1.476 654 A CA 0.557 51.972 52.037 -1.038 0.000 0.757 654 A CB -1.519 17.112 19.000 -0.616 0.000 1.072 654 A HN 0.600 nan 8.150 nan 0.000 0.413 655 P HA 0.472 nan 4.420 nan 0.000 0.281 655 P C 0.158 177.426 177.300 -0.054 0.000 1.249 655 P CA -0.258 62.811 63.100 -0.052 0.000 0.810 655 P CB 1.568 33.272 31.700 0.005 0.000 1.008 656 V N 2.248 122.024 119.914 -0.229 0.000 2.834 656 V HA 0.161 3.999 4.120 -0.470 0.000 0.301 656 V C 1.572 177.436 176.094 -0.383 0.000 1.066 656 V CA 0.918 62.928 62.300 -0.483 0.000 1.052 656 V CB 1.020 32.162 31.823 -1.135 0.000 1.021 656 V HN 0.882 nan 8.190 nan 0.000 0.480 657 S N 1.815 117.310 115.700 -0.341 0.000 2.648 657 S HA 0.310 4.498 4.470 -0.470 0.000 0.270 657 S C 0.166 174.609 174.600 -0.261 0.000 1.082 657 S CA -0.320 57.780 58.200 -0.166 0.000 1.116 657 S CB 0.292 63.471 63.200 -0.034 0.000 1.040 657 S HN 0.621 nan 8.310 nan 0.000 0.572 658 K N -0.129 120.022 120.400 -0.414 0.000 2.619 658 K HA 0.318 4.356 4.320 -0.470 0.000 0.251 658 K C -1.001 175.297 176.600 -0.504 0.000 0.987 658 K CA -0.648 55.348 56.287 -0.485 0.000 0.844 658 K CB 0.727 32.823 32.500 -0.674 0.000 1.237 658 K HN 0.163 nan 8.250 nan 0.000 0.447 659 W N 2.136 123.352 121.300 -0.140 0.000 2.364 659 W HA -0.137 4.246 4.660 -0.461 0.000 0.281 659 W C 1.215 177.837 176.519 0.171 0.000 1.219 659 W CA 0.749 58.103 57.345 0.016 0.000 1.220 659 W CB 0.247 29.700 29.460 -0.012 0.000 1.127 659 W HN 0.750 nan 8.180 nan 0.000 0.556 660 E N -1.184 119.134 120.200 0.195 0.000 2.401 660 E HA -0.188 3.880 4.350 -0.470 0.000 0.199 660 E C 1.262 177.948 176.600 0.142 0.000 1.023 660 E CA 0.936 57.391 56.400 0.092 0.000 0.859 660 E CB -0.343 29.295 29.700 -0.103 0.000 0.780 660 E HN 0.370 nan 8.360 nan 0.000 0.523 661 Y N -1.613 118.766 120.300 0.131 0.000 2.517 661 Y HA 0.092 4.372 4.550 -0.450 0.000 0.281 661 Y C 0.540 176.525 175.900 0.142 0.000 1.125 661 Y CA -0.381 57.768 58.100 0.081 0.000 1.283 661 Y CB -0.347 38.107 38.460 -0.010 0.000 1.042 661 Y HN 0.016 nan 8.280 nan 0.000 0.547 662 Y N 1.986 122.427 120.300 0.235 0.000 2.326 662 Y HA 0.265 4.530 4.550 -0.475 0.000 0.324 662 Y C 0.470 176.565 175.900 0.324 0.000 1.291 662 Y CA -2.041 56.203 58.100 0.241 0.000 1.348 662 Y CB 0.346 38.988 38.460 0.303 0.000 1.294 662 Y HN 0.213 nan 8.280 nan 0.000 0.525 663 D N -0.458 119.731 120.400 -0.352 0.000 2.361 663 D HA 0.077 4.435 4.640 -0.470 0.000 0.239 663 D C 1.028 177.332 176.300 0.007 0.000 1.200 663 D CA 0.400 54.245 54.000 -0.258 0.000 0.915 663 D CB 0.714 41.077 40.800 -0.727 0.000 1.170 663 D HN 0.480 nan 8.370 nan 0.000 0.444 664 S N 0.697 116.398 115.700 0.002 0.000 2.343 664 S HA -0.233 3.955 4.470 -0.470 0.000 0.219 664 S C 1.979 176.622 174.600 0.072 0.000 1.033 664 S CA 1.230 59.479 58.200 0.082 0.000 1.014 664 S CB -1.095 62.157 63.200 0.087 0.000 0.915 664 S HN 0.431 nan 8.310 nan 0.000 0.435 665 V N 1.061 120.957 119.914 -0.030 0.000 2.252 665 V HA -0.212 3.625 4.120 -0.470 0.000 0.249 665 V C 2.334 178.372 176.094 -0.094 0.000 1.056 665 V CA 2.446 64.639 62.300 -0.179 0.000 1.022 665 V CB -1.079 30.476 31.823 -0.446 0.000 0.641 665 V HN 0.644 nan 8.190 nan 0.000 0.445 666 Y N 1.112 121.376 120.300 -0.060 0.000 2.130 666 Y HA -0.200 4.070 4.550 -0.467 0.000 0.287 666 Y C 2.721 178.645 175.900 0.039 0.000 1.124 666 Y CA 2.266 60.401 58.100 0.058 0.000 1.118 666 Y CB -0.718 37.982 38.460 0.399 0.000 0.994 666 Y HN 0.232 nan 8.280 nan 0.000 0.497 667 T N 0.463 115.295 114.554 0.463 0.000 2.622 667 T HA -0.239 3.829 4.350 -0.470 0.000 0.266 667 T C 1.619 176.323 174.700 0.008 0.000 1.047 667 T CA 2.049 64.340 62.100 0.319 0.000 1.159 667 T CB -0.408 68.782 68.868 0.536 0.000 0.863 667 T HN 0.417 nan 8.240 nan 0.000 0.422 668 E N 0.472 120.701 120.200 0.049 0.000 2.118 668 E HA -0.157 3.911 4.350 -0.470 0.000 0.195 668 E C 2.339 178.829 176.600 -0.184 0.000 0.992 668 E CA 0.797 57.203 56.400 0.009 0.000 0.804 668 E CB -0.159 29.582 29.700 0.069 0.000 0.741 668 E HN 0.323 nan 8.360 nan 0.000 0.458 669 R N -0.171 120.094 120.500 -0.393 0.000 2.133 669 R HA -0.227 3.831 4.340 -0.470 0.000 0.247 669 R C 1.224 177.010 176.300 -0.857 0.000 1.151 669 R CA 1.809 57.485 56.100 -0.707 0.000 0.971 669 R CB -0.076 29.508 30.300 -1.193 0.000 0.866 669 R HN 0.272 nan 8.270 nan 0.000 0.447 670 Y N -2.691 117.286 120.300 -0.538 0.000 2.498 670 Y HA 0.245 4.512 4.550 -0.472 0.000 0.259 670 Y C 1.690 177.354 175.900 -0.394 0.000 1.086 670 Y CA -0.108 57.655 58.100 -0.563 0.000 1.287 670 Y CB 0.454 38.429 38.460 -0.807 0.000 1.146 670 Y HN -0.031 nan 8.280 nan 0.000 0.523 671 M N -0.607 118.836 119.600 -0.261 0.000 2.421 671 M HA 0.380 4.577 4.480 -0.470 0.000 0.258 671 M C 1.081 177.324 176.300 -0.095 0.000 1.122 671 M CA 0.921 56.033 55.300 -0.314 0.000 1.078 671 M CB -0.144 32.031 32.600 -0.708 0.000 1.380 671 M HN 0.352 nan 8.290 nan 0.000 0.499 672 G N 1.570 110.369 108.800 -0.002 0.000 2.584 672 G HA2 -0.185 3.493 3.960 -0.470 0.000 0.229 672 G HA3 -0.185 3.493 3.960 -0.470 0.000 0.229 672 G C -0.960 174.075 174.900 0.224 0.000 1.320 672 G CA -0.868 44.283 45.100 0.085 0.000 0.891 672 G HN 0.209 nan 8.290 nan 0.000 0.573 673 L N 2.636 123.959 121.223 0.166 0.000 2.334 673 L HA 0.536 4.593 4.340 -0.470 0.000 0.277 673 L C -1.300 175.588 176.870 0.031 0.000 1.075 673 L CA -1.809 53.087 54.840 0.093 0.000 0.804 673 L CB 1.309 43.384 42.059 0.027 0.000 1.174 673 L HN 0.428 nan 8.230 nan 0.000 0.438 674 P HA 0.094 nan 4.420 nan 0.000 0.218 674 P C -0.635 176.518 177.300 -0.245 0.000 1.793 674 P CA -0.161 62.533 63.100 -0.677 0.000 0.941 674 P CB -0.414 30.521 31.700 -1.274 0.000 1.919 675 T N -2.934 111.569 114.554 -0.085 0.000 2.932 675 T HA 0.478 4.546 4.350 -0.470 0.000 0.289 675 T C -2.072 172.634 174.700 0.011 0.000 1.039 675 T CA -2.338 59.740 62.100 -0.036 0.000 1.024 675 T CB 2.130 70.984 68.868 -0.022 0.000 1.090 675 T HN -0.186 nan 8.240 nan 0.000 0.496 676 P HA 0.058 nan 4.420 nan 0.000 0.225 676 P C 0.648 177.967 177.300 0.032 0.000 1.156 676 P CA 0.752 63.871 63.100 0.033 0.000 0.787 676 P CB 0.155 31.869 31.700 0.024 0.000 0.802 677 E N -0.556 119.655 120.200 0.019 0.000 2.418 677 E HA -0.072 3.996 4.350 -0.470 0.000 0.197 677 E C 1.305 177.917 176.600 0.019 0.000 1.026 677 E CA 0.730 57.139 56.400 0.015 0.000 0.862 677 E CB -0.203 29.500 29.700 0.005 0.000 0.799 677 E HN 0.315 nan 8.360 nan 0.000 0.518 678 D N -0.913 119.506 120.400 0.031 0.000 3.351 678 D HA 0.112 4.470 4.640 -0.470 0.000 0.189 678 D C 0.187 176.528 176.300 0.068 0.000 1.205 678 D CA -0.204 53.820 54.000 0.040 0.000 1.458 678 D CB -0.133 40.694 40.800 0.044 0.000 1.026 678 D HN -0.027 nan 8.370 nan 0.000 0.166 679 N N 0.184 118.959 118.700 0.127 0.000 2.200 679 N HA 0.026 4.484 4.740 -0.470 0.000 0.224 679 N C 1.585 177.303 175.510 0.346 0.000 1.179 679 N CA -0.104 53.063 53.050 0.195 0.000 0.877 679 N CB 0.831 39.417 38.487 0.166 0.000 1.072 679 N HN 0.030 nan 8.380 nan 0.000 0.519 680 L N 1.375 122.740 121.223 0.237 0.000 2.151 680 L HA -0.235 3.823 4.340 -0.470 0.000 0.215 680 L C 1.418 178.434 176.870 0.244 0.000 1.084 680 L CA 1.897 56.855 54.840 0.196 0.000 0.764 680 L CB -0.415 41.678 42.059 0.058 0.000 0.891 680 L HN 0.164 nan 8.230 nan 0.000 0.435 681 D N -1.291 119.254 120.400 0.241 0.000 2.123 681 D HA -0.224 4.133 4.640 -0.470 0.000 0.196 681 D C 1.949 178.361 176.300 0.186 0.000 0.992 681 D CA 1.696 55.819 54.000 0.205 0.000 0.833 681 D CB -0.214 40.728 40.800 0.237 0.000 0.954 681 D HN 0.465 nan 8.370 nan 0.000 0.455 682 Y N -0.786 119.567 120.300 0.088 0.000 2.519 682 Y HA -0.029 4.239 4.550 -0.471 0.000 0.287 682 Y C 1.921 177.859 175.900 0.063 0.000 1.128 682 Y CA 0.033 58.156 58.100 0.038 0.000 1.282 682 Y CB -0.436 38.004 38.460 -0.033 0.000 1.027 682 Y HN 0.043 nan 8.280 nan 0.000 0.551 683 Y N -0.176 120.230 120.300 0.177 0.000 2.263 683 Y HA -0.166 4.101 4.550 -0.472 0.000 0.292 683 Y C 2.401 178.362 175.900 0.102 0.000 1.130 683 Y CA 1.391 59.580 58.100 0.149 0.000 1.179 683 Y CB -0.075 38.449 38.460 0.108 0.000 0.998 683 Y HN -0.070 nan 8.280 nan 0.000 0.532 684 R N 0.172 120.803 120.500 0.219 0.000 2.062 684 R HA -0.104 3.954 4.340 -0.470 0.000 0.229 684 R C 1.637 177.964 176.300 0.046 0.000 1.128 684 R CA 1.338 57.497 56.100 0.099 0.000 0.960 684 R CB -0.401 29.935 30.300 0.061 0.000 0.855 684 R HN 0.384 nan 8.270 nan 0.000 0.432 685 N N 0.500 119.200 118.700 0.001 0.000 2.449 685 N HA -0.063 4.395 4.740 -0.470 0.000 0.191 685 N C 0.354 175.863 175.510 -0.001 0.000 1.161 685 N CA 0.734 53.760 53.050 -0.039 0.000 0.863 685 N CB 0.366 38.776 38.487 -0.127 0.000 0.980 685 N HN 0.074 nan 8.380 nan 0.000 0.458 686 S N -1.466 114.281 115.700 0.079 0.000 2.568 686 S HA 0.077 4.265 4.470 -0.470 0.000 0.232 686 S C 0.539 175.280 174.600 0.236 0.000 0.975 686 S CA -0.473 57.835 58.200 0.181 0.000 0.949 686 S CB -0.649 62.719 63.200 0.280 0.000 0.829 686 S HN 0.352 nan 8.310 nan 0.000 0.479 687 T N -1.005 113.619 114.554 0.117 0.000 2.913 687 T HA 0.497 4.565 4.350 -0.470 0.000 0.287 687 T C 1.328 176.076 174.700 0.079 0.000 1.008 687 T CA -0.575 61.561 62.100 0.061 0.000 1.067 687 T CB 1.336 70.192 68.868 -0.020 0.000 0.996 687 T HN -0.049 nan 8.240 nan 0.000 0.513 688 V N 1.913 121.871 119.914 0.075 0.000 2.427 688 V HA -0.131 3.707 4.120 -0.470 0.000 0.248 688 V C 2.590 178.681 176.094 -0.004 0.000 1.051 688 V CA 1.594 63.923 62.300 0.048 0.000 1.048 688 V CB -0.989 30.851 31.823 0.028 0.000 0.666 688 V HN 0.822 nan 8.190 nan 0.000 0.456 689 M N 1.225 120.798 119.600 -0.046 0.000 2.202 689 M HA -0.170 4.028 4.480 -0.470 0.000 0.262 689 M C 2.347 178.630 176.300 -0.027 0.000 1.063 689 M CA 2.107 57.365 55.300 -0.070 0.000 1.097 689 M CB -1.069 31.496 32.600 -0.059 0.000 1.382 689 M HN 0.529 nan 8.290 nan 0.000 0.413 690 S N -0.156 115.541 115.700 -0.004 0.000 2.440 690 S HA -0.126 4.062 4.470 -0.470 0.000 0.238 690 S C 1.864 176.473 174.600 0.015 0.000 1.010 690 S CA 0.967 59.169 58.200 0.003 0.000 0.972 690 S CB -0.472 62.730 63.200 0.003 0.000 0.774 690 S HN 0.553 nan 8.310 nan 0.000 0.501 691 R N 0.327 120.853 120.500 0.045 0.000 2.432 691 R HA 0.458 4.516 4.340 -0.470 0.000 0.260 691 R C 2.196 178.598 176.300 0.171 0.000 0.935 691 R CA 0.411 56.552 56.100 0.069 0.000 1.080 691 R CB -0.184 30.144 30.300 0.046 0.000 1.155 691 R HN 0.469 nan 8.270 nan 0.000 0.531 692 A N 1.556 124.453 122.820 0.128 0.000 1.940 692 A HA -0.303 3.735 4.320 -0.470 0.000 0.221 692 A C 1.972 179.659 177.584 0.172 0.000 1.190 692 A CA 1.979 54.084 52.037 0.114 0.000 0.647 692 A CB -0.310 18.642 19.000 -0.080 0.000 0.821 692 A HN 0.250 nan 8.150 nan 0.000 0.457 693 E N 0.318 120.569 120.200 0.085 0.000 2.171 693 E HA -0.206 3.862 4.350 -0.470 0.000 0.197 693 E C 1.623 178.263 176.600 0.068 0.000 0.997 693 E CA 1.925 58.362 56.400 0.063 0.000 0.810 693 E CB -0.520 29.200 29.700 0.032 0.000 0.738 693 E HN 0.817 nan 8.360 nan 0.000 0.467 694 N N -1.453 117.277 118.700 0.050 0.000 2.457 694 N HA -0.043 4.415 4.740 -0.470 0.000 0.180 694 N C 0.833 176.294 175.510 -0.081 0.000 1.050 694 N CA 0.178 53.205 53.050 -0.039 0.000 0.906 694 N CB -0.075 38.338 38.487 -0.123 0.000 0.968 694 N HN 0.126 nan 8.380 nan 0.000 0.445 695 F N 1.611 121.508 119.950 -0.088 0.000 2.546 695 F HA -0.020 4.229 4.527 -0.463 0.000 0.298 695 F C 1.833 177.626 175.800 -0.012 0.000 1.120 695 F CA 0.808 58.750 58.000 -0.097 0.000 1.456 695 F CB -0.020 38.857 39.000 -0.206 0.000 1.088 695 F HN -0.069 nan 8.300 nan 0.000 0.572 696 K N -0.011 120.480 120.400 0.151 0.000 2.360 696 K HA -0.171 3.866 4.320 -0.470 0.000 0.201 696 K C 1.158 177.817 176.600 0.098 0.000 1.046 696 K CA 1.014 57.374 56.287 0.122 0.000 0.945 696 K CB -0.232 32.320 32.500 0.086 0.000 0.750 696 K HN 0.438 nan 8.250 nan 0.000 0.464 697 Q N 0.519 120.358 119.800 0.065 0.000 2.220 697 Q HA 0.087 4.145 4.340 -0.470 0.000 0.205 697 Q C -0.309 175.733 176.000 0.070 0.000 0.865 697 Q CA -0.244 55.591 55.803 0.053 0.000 0.960 697 Q CB 0.920 29.671 28.738 0.021 0.000 1.097 697 Q HN 0.096 nan 8.270 nan 0.000 0.493 698 V N -3.616 116.363 119.914 0.108 0.000 3.087 698 V HA 0.428 4.266 4.120 -0.470 0.000 0.306 698 V C -1.298 174.952 176.094 0.259 0.000 1.187 698 V CA -1.244 61.149 62.300 0.154 0.000 0.999 698 V CB 2.336 34.223 31.823 0.107 0.000 1.049 698 V HN 0.016 nan 8.190 nan 0.000 0.431 699 E N 2.421 122.790 120.200 0.282 0.000 2.129 699 E HA 0.340 4.408 4.350 -0.470 0.000 0.283 699 E C -1.654 175.306 176.600 0.600 0.000 1.080 699 E CA -0.138 56.486 56.400 0.373 0.000 0.867 699 E CB 1.097 30.930 29.700 0.223 0.000 1.056 699 E HN 0.665 nan 8.360 nan 0.000 0.404 700 Y N 3.446 124.012 120.300 0.444 0.000 2.446 700 Y HA 0.469 4.737 4.550 -0.471 0.000 0.338 700 Y C -1.198 174.846 175.900 0.240 0.000 1.055 700 Y CA -1.231 57.096 58.100 0.378 0.000 1.101 700 Y CB 1.044 39.745 38.460 0.403 0.000 1.221 700 Y HN 0.400 nan 8.280 nan 0.000 0.460 701 L N 7.675 128.586 121.223 -0.519 0.000 2.415 701 L HA 0.428 4.486 4.340 -0.470 0.000 0.268 701 L C -1.811 174.584 176.870 -0.792 0.000 0.984 701 L CA -0.582 53.842 54.840 -0.693 0.000 0.853 701 L CB 0.913 42.211 42.059 -1.268 0.000 1.215 701 L HN 0.638 nan 8.230 nan 0.000 0.419 702 L N 5.793 126.667 121.223 -0.581 0.000 2.275 702 L HA 0.558 4.616 4.340 -0.470 0.000 0.288 702 L C -0.746 176.010 176.870 -0.191 0.000 1.046 702 L CA -0.373 54.225 54.840 -0.404 0.000 0.805 702 L CB 1.435 43.411 42.059 -0.138 0.000 1.193 702 L HN 0.578 nan 8.230 nan 0.000 0.426 703 I N 3.934 124.401 120.570 -0.171 0.000 2.533 703 I HA 0.457 4.345 4.170 -0.470 0.000 0.290 703 I C -0.840 175.261 176.117 -0.027 0.000 1.056 703 I CA -0.701 60.543 61.300 -0.092 0.000 1.057 703 I CB 2.013 39.925 38.000 -0.147 0.000 1.240 703 I HN 0.529 nan 8.210 nan 0.000 0.423 704 H N 2.836 121.950 119.070 0.072 0.000 3.046 704 H HA 0.479 4.767 4.556 -0.446 0.000 0.361 704 H C -0.888 174.650 175.328 0.349 0.000 1.235 704 H CA -0.594 55.550 56.048 0.159 0.000 1.146 704 H CB 2.647 32.464 29.762 0.092 0.000 1.859 704 H HN 0.728 nan 8.280 nan 0.000 0.548 705 G N 0.859 110.033 108.800 0.622 0.000 2.319 705 G HA2 0.247 3.925 3.960 -0.470 0.000 0.308 705 G HA3 0.247 3.925 3.960 -0.470 0.000 0.308 705 G C 1.090 176.213 174.900 0.371 0.000 1.117 705 G CA 0.127 45.499 45.100 0.454 0.000 0.903 705 G HN 0.656 nan 8.290 nan 0.000 0.436 706 T N -0.174 114.420 114.554 0.067 0.000 2.897 706 T HA -0.096 3.972 4.350 -0.470 0.000 0.271 706 T C 1.801 176.401 174.700 -0.167 0.000 1.084 706 T CA 1.506 63.392 62.100 -0.357 0.000 1.123 706 T CB 0.077 68.644 68.868 -0.502 0.000 0.865 706 T HN 0.682 nan 8.240 nan 0.000 0.496 707 A N 0.854 123.686 122.820 0.020 0.000 2.507 707 A HA 0.278 4.316 4.320 -0.470 0.000 0.270 707 A C 0.558 178.136 177.584 -0.010 0.000 1.318 707 A CA -0.459 51.602 52.037 0.039 0.000 0.924 707 A CB -0.243 19.015 19.000 0.430 0.000 1.061 707 A HN 0.413 nan 8.150 nan 0.000 0.516 708 D N 1.597 122.015 120.400 0.031 0.000 2.342 708 D HA -0.027 4.331 4.640 -0.470 0.000 0.260 708 D C 0.279 176.590 176.300 0.018 0.000 1.278 708 D CA 0.200 54.323 54.000 0.205 0.000 0.910 708 D CB 0.629 41.718 40.800 0.481 0.000 1.079 708 D HN 0.560 nan 8.370 nan 0.000 0.496 709 D N 2.500 122.968 120.400 0.113 0.000 2.347 709 D HA -0.136 4.222 4.640 -0.470 0.000 0.213 709 D C 0.916 177.270 176.300 0.089 0.000 0.985 709 D CA -0.067 53.966 54.000 0.055 0.000 0.879 709 D CB 0.401 41.243 40.800 0.071 0.000 0.919 709 D HN 0.229 nan 8.370 nan 0.000 0.526 710 N N 0.854 119.670 118.700 0.193 0.000 2.349 710 N HA -0.048 4.410 4.740 -0.470 0.000 0.202 710 N C -0.017 175.466 175.510 -0.045 0.000 1.041 710 N CA 0.470 53.640 53.050 0.202 0.000 0.970 710 N CB 0.301 38.779 38.487 -0.014 0.000 1.173 710 N HN -0.104 nan 8.380 nan 0.000 0.493 711 V N 3.148 123.048 119.914 -0.022 0.000 2.322 711 V HA 0.160 3.997 4.120 -0.470 0.000 0.258 711 V C -0.378 175.805 176.094 0.147 0.000 1.074 711 V CA -0.298 62.057 62.300 0.093 0.000 0.909 711 V CB -0.715 31.212 31.823 0.173 0.000 1.090 711 V HN 0.305 nan 8.190 nan 0.000 0.486 712 H N 3.132 122.173 119.070 -0.049 0.000 3.016 712 H HA -0.074 4.199 4.556 -0.471 0.000 0.345 712 H C 0.815 175.940 175.328 -0.338 0.000 1.066 712 H CA 0.041 55.956 56.048 -0.222 0.000 1.390 712 H CB 0.719 30.272 29.762 -0.349 0.000 1.344 712 H HN 0.618 nan 8.280 nan 0.000 0.605 713 F N 2.007 121.699 119.950 -0.431 0.000 2.202 713 F HA -0.274 4.157 4.527 -0.160 0.000 0.301 713 F C 2.602 178.116 175.800 -0.476 0.000 1.082 713 F CA 1.744 59.335 58.000 -0.683 0.000 1.313 713 F CB -0.233 38.529 39.000 -0.398 0.000 1.024 713 F HN 0.669 nan 8.300 nan 0.000 0.495 714 Q N 0.143 119.765 119.800 -0.296 0.000 2.173 714 Q HA -0.312 3.746 4.340 -0.470 0.000 0.208 714 Q C 2.046 177.754 176.000 -0.487 0.000 0.989 714 Q CA 2.217 57.793 55.803 -0.378 0.000 0.872 714 Q CB -0.417 28.069 28.738 -0.421 0.000 0.909 714 Q HN 0.575 nan 8.270 nan 0.000 0.420 715 Q N -0.111 119.440 119.800 -0.416 0.000 2.030 715 Q HA -0.135 3.922 4.340 -0.470 0.000 0.204 715 Q C 2.294 178.170 176.000 -0.206 0.000 0.986 715 Q CA 1.870 57.544 55.803 -0.215 0.000 0.843 715 Q CB -0.142 28.566 28.738 -0.050 0.000 0.904 715 Q HN 0.373 nan 8.270 nan 0.000 0.420 716 S N 0.431 115.920 115.700 -0.351 0.000 2.428 716 S HA -0.001 4.187 4.470 -0.470 0.000 0.230 716 S C 1.935 176.311 174.600 -0.373 0.000 1.014 716 S CA 0.679 58.700 58.200 -0.298 0.000 0.957 716 S CB -0.022 63.007 63.200 -0.285 0.000 0.784 716 S HN 0.445 nan 8.310 nan 0.000 0.499 717 A N 1.370 123.870 122.820 -0.534 0.000 1.898 717 A HA -0.084 3.954 4.320 -0.470 0.000 0.216 717 A C 2.143 179.622 177.584 -0.175 0.000 1.181 717 A CA 0.962 52.795 52.037 -0.338 0.000 0.620 717 A CB -0.387 18.441 19.000 -0.287 0.000 0.819 717 A HN 0.334 nan 8.150 nan 0.000 0.442 718 Q N -0.896 118.804 119.800 -0.166 0.000 2.119 718 Q HA -0.114 3.944 4.340 -0.470 0.000 0.201 718 Q C 2.071 178.034 176.000 -0.062 0.000 0.972 718 Q CA 1.244 57.010 55.803 -0.061 0.000 0.847 718 Q CB -0.526 28.245 28.738 0.057 0.000 0.903 718 Q HN 0.589 nan 8.270 nan 0.000 0.433 719 L N 1.164 122.329 121.223 -0.095 0.000 2.093 719 L HA -0.128 3.930 4.340 -0.470 0.000 0.208 719 L C 2.297 179.037 176.870 -0.216 0.000 1.085 719 L CA 2.225 56.975 54.840 -0.151 0.000 0.755 719 L CB -0.864 41.110 42.059 -0.142 0.000 0.904 719 L HN 0.204 nan 8.230 nan 0.000 0.435 720 S N -0.966 114.651 115.700 -0.138 0.000 2.383 720 S HA -0.257 3.931 4.470 -0.470 0.000 0.227 720 S C 2.117 176.700 174.600 -0.028 0.000 1.026 720 S CA 1.217 59.381 58.200 -0.060 0.000 0.981 720 S CB -0.607 62.708 63.200 0.191 0.000 0.818 720 S HN 0.535 nan 8.310 nan 0.000 0.472 721 K N 1.912 122.294 120.400 -0.030 0.000 2.063 721 K HA 0.006 4.044 4.320 -0.470 0.000 0.208 721 K C 2.264 178.839 176.600 -0.041 0.000 1.048 721 K CA 1.244 57.523 56.287 -0.012 0.000 0.928 721 K CB -0.761 31.729 32.500 -0.016 0.000 0.713 721 K HN 0.429 nan 8.250 nan 0.000 0.442 722 A N 1.125 123.892 122.820 -0.089 0.000 1.858 722 A HA -0.146 3.892 4.320 -0.470 0.000 0.216 722 A C 2.142 179.647 177.584 -0.131 0.000 1.190 722 A CA 1.683 53.659 52.037 -0.101 0.000 0.617 722 A CB -0.815 18.109 19.000 -0.127 0.000 0.827 722 A HN 0.326 nan 8.150 nan 0.000 0.443 723 L N -0.464 120.609 121.223 -0.250 0.000 1.990 723 L HA -0.216 3.842 4.340 -0.470 0.000 0.213 723 L C 2.536 179.362 176.870 -0.074 0.000 1.072 723 L CA 1.491 56.153 54.840 -0.298 0.000 0.755 723 L CB -0.890 40.715 42.059 -0.757 0.000 0.889 723 L HN 0.248 nan 8.230 nan 0.000 0.432 724 V N -0.043 119.890 119.914 0.032 0.000 2.324 724 V HA -0.328 3.510 4.120 -0.470 0.000 0.250 724 V C 2.163 178.294 176.094 0.061 0.000 1.060 724 V CA 2.069 64.445 62.300 0.127 0.000 1.042 724 V CB -0.618 31.290 31.823 0.142 0.000 0.650 724 V HN 0.470 nan 8.190 nan 0.000 0.450 725 D N 0.379 120.792 120.400 0.022 0.000 2.144 725 D HA -0.081 4.277 4.640 -0.470 0.000 0.200 725 D C 2.152 178.460 176.300 0.013 0.000 0.978 725 D CA 1.600 55.608 54.000 0.014 0.000 0.833 725 D CB -0.276 40.525 40.800 0.001 0.000 0.961 725 D HN 0.479 nan 8.370 nan 0.000 0.470 726 A N -0.085 122.735 122.820 -0.000 0.000 2.119 726 A HA 0.302 4.340 4.320 -0.470 0.000 0.217 726 A C 1.727 179.329 177.584 0.031 0.000 1.153 726 A CA 1.357 53.399 52.037 0.008 0.000 0.692 726 A CB -0.264 18.732 19.000 -0.007 0.000 0.799 726 A HN 0.291 nan 8.150 nan 0.000 0.458 727 G N -1.480 107.348 108.800 0.047 0.000 2.165 727 G HA2 -0.133 3.545 3.960 -0.470 0.000 0.226 727 G HA3 -0.133 3.545 3.960 -0.470 0.000 0.226 727 G C -0.050 174.910 174.900 0.099 0.000 1.035 727 G CA 0.013 45.155 45.100 0.071 0.000 0.744 727 G HN 0.771 nan 8.290 nan 0.000 0.501 728 V N 0.679 120.659 119.914 0.110 0.000 2.432 728 V HA 0.477 4.315 4.120 -0.470 0.000 0.275 728 V C 0.479 176.768 176.094 0.325 0.000 1.043 728 V CA -0.334 62.060 62.300 0.157 0.000 0.925 728 V CB 1.672 33.527 31.823 0.053 0.000 0.985 728 V HN 0.419 nan 8.190 nan 0.000 0.466 729 D N 4.088 124.672 120.400 0.307 0.000 2.255 729 D HA 0.639 4.997 4.640 -0.470 0.000 0.249 729 D C -0.664 175.952 176.300 0.525 0.000 1.078 729 D CA 0.082 54.291 54.000 0.350 0.000 0.896 729 D CB 0.908 41.819 40.800 0.183 0.000 1.194 729 D HN 0.330 nan 8.370 nan 0.000 0.429 730 F N -0.571 119.463 119.950 0.140 0.000 2.773 730 F HA 0.438 4.676 4.527 -0.481 0.000 0.314 730 F C -1.269 174.606 175.800 0.125 0.000 1.160 730 F CA -1.125 56.988 58.000 0.188 0.000 0.920 730 F CB 0.651 39.805 39.000 0.257 0.000 1.323 730 F HN 0.207 nan 8.300 nan 0.000 0.457 731 Q N 0.631 120.482 119.800 0.084 0.000 2.266 731 Q HA 0.721 4.778 4.340 -0.470 0.000 0.261 731 Q C -1.033 174.900 176.000 -0.112 0.000 0.985 731 Q CA -0.861 54.904 55.803 -0.064 0.000 0.873 731 Q CB 2.376 31.166 28.738 0.088 0.000 1.306 731 Q HN 0.843 nan 8.270 nan 0.000 0.447 732 T N 1.161 115.623 114.554 -0.154 0.000 2.887 732 T HA 0.756 4.824 4.350 -0.470 0.000 0.292 732 T C -1.672 172.936 174.700 -0.153 0.000 1.087 732 T CA -0.585 61.451 62.100 -0.108 0.000 1.009 732 T CB 1.229 70.053 68.868 -0.074 0.000 1.203 732 T HN 0.534 nan 8.240 nan 0.000 0.518 733 M N 2.648 122.152 119.600 -0.160 0.000 2.362 733 M HA 0.450 4.648 4.480 -0.470 0.000 0.242 733 M C -2.368 173.763 176.300 -0.282 0.000 0.995 733 M CA -0.465 54.600 55.300 -0.391 0.000 0.904 733 M CB 0.837 33.164 32.600 -0.455 0.000 2.202 733 M HN 0.710 nan 8.290 nan 0.000 0.464 734 W N 4.324 125.417 121.300 -0.344 0.000 2.578 734 W HA 0.826 5.344 4.660 -0.236 0.000 0.353 734 W C -2.035 174.162 176.519 -0.536 0.000 1.088 734 W CA -0.907 56.316 57.345 -0.203 0.000 1.235 734 W CB 0.486 29.900 29.460 -0.077 0.000 1.362 734 W HN 0.598 nan 8.180 nan 0.000 0.592 735 Y N 1.962 122.401 120.300 0.231 0.000 2.363 735 Y HA 0.317 4.587 4.550 -0.467 0.000 0.325 735 Y C 0.375 176.353 175.900 0.131 0.000 0.984 735 Y CA -1.364 56.782 58.100 0.077 0.000 1.248 735 Y CB 1.427 39.895 38.460 0.014 0.000 1.116 735 Y HN 0.434 nan 8.280 nan 0.000 0.470 736 T N 4.631 119.330 114.554 0.241 0.000 2.871 736 T HA -0.021 4.047 4.350 -0.470 0.000 0.296 736 T C 0.271 174.991 174.700 0.034 0.000 0.998 736 T CA 0.580 62.728 62.100 0.080 0.000 1.162 736 T CB -0.038 68.825 68.868 -0.009 0.000 0.947 736 T HN 0.697 nan 8.240 nan 0.000 0.536 737 D N 0.708 121.087 120.400 -0.035 0.000 3.070 737 D HA -0.130 4.228 4.640 -0.470 0.000 0.220 737 D C 0.219 176.596 176.300 0.128 0.000 1.176 737 D CA 1.116 55.028 54.000 -0.146 0.000 0.924 737 D CB -0.328 40.167 40.800 -0.508 0.000 1.124 737 D HN 0.573 nan 8.370 nan 0.000 0.411 738 E N 1.199 121.507 120.200 0.179 0.000 2.301 738 E HA 0.237 4.305 4.350 -0.470 0.000 0.275 738 E C 0.760 177.528 176.600 0.280 0.000 1.030 738 E CA -0.302 56.234 56.400 0.227 0.000 0.852 738 E CB 1.210 31.035 29.700 0.209 0.000 1.060 738 E HN 0.330 nan 8.360 nan 0.000 0.401 739 D N 0.375 120.961 120.400 0.310 0.000 2.469 739 D HA -0.047 4.311 4.640 -0.470 0.000 0.278 739 D C 1.129 177.665 176.300 0.393 0.000 1.231 739 D CA -0.162 54.054 54.000 0.360 0.000 1.075 739 D CB 0.020 41.055 40.800 0.391 0.000 1.121 739 D HN 0.427 nan 8.370 nan 0.000 0.571 740 H N -1.383 117.882 119.070 0.325 0.000 2.426 740 H HA -0.015 4.255 4.556 -0.476 0.000 0.298 740 H C 1.860 177.455 175.328 0.444 0.000 1.107 740 H CA 2.426 58.686 56.048 0.353 0.000 1.298 740 H CB -0.445 29.521 29.762 0.340 0.000 1.377 740 H HN 0.513 nan 8.280 nan 0.000 0.519 741 G N -0.485 108.512 108.800 0.328 0.000 2.880 741 G HA2 0.060 3.738 3.960 -0.470 0.000 0.209 741 G HA3 0.060 3.738 3.960 -0.470 0.000 0.209 741 G C 0.577 175.719 174.900 0.402 0.000 1.157 741 G CA 0.259 45.524 45.100 0.275 0.000 0.779 741 G HN 0.528 nan 8.290 nan 0.000 0.539 742 I N -0.059 120.702 120.570 0.318 0.000 6.313 742 I HA -0.331 3.556 4.170 -0.470 0.000 0.126 742 I C 1.597 177.832 176.117 0.196 0.000 1.598 742 I CA 0.173 61.594 61.300 0.201 0.000 2.457 742 I CB -1.334 36.728 38.000 0.103 0.000 3.027 742 I HN 0.265 nan 8.210 nan 0.000 0.280 743 A N 1.124 124.042 122.820 0.163 0.000 2.308 743 A HA 0.240 4.278 4.320 -0.470 0.000 0.217 743 A C 1.277 178.902 177.584 0.069 0.000 1.216 743 A CA 0.616 52.708 52.037 0.092 0.000 0.864 743 A CB 0.084 19.113 19.000 0.050 0.000 0.902 743 A HN 0.687 nan 8.150 nan 0.000 0.499 744 S N -0.263 115.492 115.700 0.091 0.000 2.576 744 S HA 0.055 4.243 4.470 -0.470 0.000 0.272 744 S C 0.863 175.512 174.600 0.081 0.000 1.352 744 S CA 0.401 58.648 58.200 0.078 0.000 1.021 744 S CB 0.373 63.623 63.200 0.083 0.000 0.887 744 S HN 0.416 nan 8.310 nan 0.000 0.542 745 N N 1.099 119.839 118.700 0.067 0.000 2.006 745 N HA -0.105 4.353 4.740 -0.470 0.000 0.196 745 N C 1.942 177.512 175.510 0.099 0.000 1.057 745 N CA 2.199 55.299 53.050 0.083 0.000 0.853 745 N CB -0.366 38.152 38.487 0.052 0.000 1.051 745 N HN 0.590 nan 8.380 nan 0.000 0.423 746 M N 0.495 120.135 119.600 0.067 0.000 2.106 746 M HA -0.111 4.087 4.480 -0.470 0.000 0.259 746 M C 2.155 178.493 176.300 0.064 0.000 1.068 746 M CA 1.379 56.718 55.300 0.066 0.000 1.100 746 M CB -1.691 30.941 32.600 0.053 0.000 1.351 746 M HN 0.265 nan 8.290 nan 0.000 0.404 747 A N -0.725 122.106 122.820 0.020 0.000 1.883 747 A HA -0.239 3.799 4.320 -0.470 0.000 0.217 747 A C 2.085 179.594 177.584 -0.126 0.000 1.186 747 A CA 2.336 54.297 52.037 -0.127 0.000 0.624 747 A CB -1.163 17.756 19.000 -0.135 0.000 0.822 747 A HN 0.606 nan 8.150 nan 0.000 0.444 748 H N -0.065 118.969 119.070 -0.059 0.000 2.319 748 H HA -0.156 4.117 4.556 -0.472 0.000 0.299 748 H C 2.121 177.504 175.328 0.093 0.000 1.092 748 H CA 2.394 58.467 56.048 0.041 0.000 1.302 748 H CB -0.305 29.498 29.762 0.070 0.000 1.373 748 H HN 0.607 nan 8.280 nan 0.000 0.497 749 Q N -0.989 118.782 119.800 -0.047 0.000 2.084 749 Q HA -0.192 3.866 4.340 -0.470 0.000 0.202 749 Q C 2.251 178.226 176.000 -0.041 0.000 0.978 749 Q CA 1.326 57.070 55.803 -0.098 0.000 0.844 749 Q CB -0.256 28.469 28.738 -0.021 0.000 0.898 749 Q HN 0.639 nan 8.270 nan 0.000 0.426 750 H N 0.896 119.920 119.070 -0.077 0.000 2.353 750 H HA -0.076 4.201 4.556 -0.465 0.000 0.300 750 H C 2.013 177.322 175.328 -0.031 0.000 1.090 750 H CA 1.338 57.370 56.048 -0.026 0.000 1.327 750 H CB -0.040 29.734 29.762 0.019 0.000 1.383 750 H HN 0.274 nan 8.280 nan 0.000 0.508 751 I N 0.047 120.563 120.570 -0.089 0.000 2.252 751 I HA -0.313 3.575 4.170 -0.470 0.000 0.245 751 I C 1.794 177.694 176.117 -0.361 0.000 1.102 751 I CA 1.145 62.331 61.300 -0.191 0.000 1.385 751 I CB -0.237 37.479 38.000 -0.474 0.000 1.064 751 I HN 0.118 nan 8.210 nan 0.000 0.414 752 Y N 0.969 121.109 120.300 -0.267 0.000 2.200 752 Y HA -0.201 4.070 4.550 -0.465 0.000 0.290 752 Y C 2.750 178.551 175.900 -0.166 0.000 1.137 752 Y CA 1.878 59.725 58.100 -0.421 0.000 1.163 752 Y CB -1.052 37.160 38.460 -0.413 0.000 0.988 752 Y HN 0.132 nan 8.280 nan 0.000 0.518 753 T N -1.437 113.135 114.554 0.030 0.000 2.684 753 T HA -0.266 3.801 4.350 -0.470 0.000 0.267 753 T C 1.586 176.395 174.700 0.181 0.000 1.036 753 T CA 2.031 64.182 62.100 0.084 0.000 1.148 753 T CB -0.517 68.359 68.868 0.013 0.000 0.863 753 T HN 0.398 nan 8.240 nan 0.000 0.436 754 H N 0.721 119.772 119.070 -0.032 0.000 2.353 754 H HA 0.108 4.385 4.556 -0.465 0.000 0.300 754 H C 2.140 177.515 175.328 0.079 0.000 1.090 754 H CA 1.481 57.541 56.048 0.021 0.000 1.327 754 H CB -0.249 29.504 29.762 -0.015 0.000 1.383 754 H HN 0.292 nan 8.280 nan 0.000 0.508 755 M N -1.072 118.532 119.600 0.007 0.000 2.254 755 M HA -0.126 4.072 4.480 -0.470 0.000 0.265 755 M C 2.361 178.809 176.300 0.247 0.000 1.066 755 M CA 1.208 56.502 55.300 -0.009 0.000 1.123 755 M CB 0.110 32.492 32.600 -0.363 0.000 1.388 755 M HN 0.165 nan 8.290 nan 0.000 0.425 756 S N -0.361 115.521 115.700 0.303 0.000 2.356 756 S HA -0.166 4.022 4.470 -0.470 0.000 0.223 756 S C 1.610 176.259 174.600 0.082 0.000 1.032 756 S CA 1.410 59.808 58.200 0.331 0.000 1.005 756 S CB -0.529 62.877 63.200 0.344 0.000 0.867 756 S HN 0.528 nan 8.310 nan 0.000 0.449 757 H N -0.246 118.888 119.070 0.106 0.000 2.387 757 H HA 0.006 4.280 4.556 -0.471 0.000 0.299 757 H C 1.790 177.115 175.328 -0.006 0.000 1.090 757 H CA 1.562 57.626 56.048 0.026 0.000 1.332 757 H CB -0.308 29.431 29.762 -0.038 0.000 1.386 757 H HN 0.367 nan 8.280 nan 0.000 0.516 758 F N 0.841 120.768 119.950 -0.039 0.000 2.046 758 F HA -0.232 4.016 4.527 -0.465 0.000 0.297 758 F C 2.160 177.902 175.800 -0.097 0.000 1.123 758 F CA 1.311 59.258 58.000 -0.088 0.000 1.199 758 F CB -0.582 38.348 39.000 -0.116 0.000 0.972 758 F HN 0.070 nan 8.300 nan 0.000 0.474 759 L N 0.267 121.515 121.223 0.042 0.000 1.956 759 L HA -0.318 3.740 4.340 -0.470 0.000 0.216 759 L C 2.550 179.212 176.870 -0.347 0.000 1.073 759 L CA 2.148 56.835 54.840 -0.254 0.000 0.762 759 L CB -0.692 41.300 42.059 -0.112 0.000 0.889 759 L HN 0.153 nan 8.230 nan 0.000 0.433 760 K N -0.520 119.817 120.400 -0.105 0.000 2.113 760 K HA -0.292 3.746 4.320 -0.470 0.000 0.208 760 K C 2.015 178.590 176.600 -0.042 0.000 1.047 760 K CA 2.025 58.304 56.287 -0.012 0.000 0.928 760 K CB -0.258 32.253 32.500 0.019 0.000 0.716 760 K HN 0.487 nan 8.250 nan 0.000 0.446 761 Q N 0.816 120.548 119.800 -0.113 0.000 2.119 761 Q HA -0.207 3.851 4.340 -0.470 0.000 0.201 761 Q C 2.336 178.225 176.000 -0.185 0.000 0.972 761 Q CA 1.765 57.492 55.803 -0.128 0.000 0.847 761 Q CB -0.452 28.191 28.738 -0.158 0.000 0.903 761 Q HN 0.424 nan 8.270 nan 0.000 0.433 762 c N 0.131 118.518 118.600 -0.355 0.000 2.446 762 c HA -0.038 4.250 4.570 -0.470 0.000 0.277 762 c C 2.064 176.144 174.090 -0.017 0.000 1.275 762 c CA 0.203 56.344 56.329 -0.312 0.000 1.727 762 c CB -1.253 40.932 42.510 -0.542 0.000 2.010 762 c HN 0.652 nan 8.230 nan 0.000 0.486 763 F N 2.132 122.054 119.950 -0.047 0.000 2.811 763 F HA 0.202 4.448 4.527 -0.468 0.000 0.301 763 F C 1.638 177.429 175.800 -0.015 0.000 1.151 763 F CA 0.656 58.648 58.000 -0.014 0.000 1.412 763 F CB -1.197 37.804 39.000 0.002 0.000 1.113 763 F HN 0.306 nan 8.300 nan 0.000 0.579 764 S N 0.613 116.399 115.700 0.143 0.000 3.783 764 S HA -0.195 3.993 4.470 -0.470 0.000 0.360 764 S C -0.262 174.387 174.600 0.081 0.000 1.006 764 S CA 0.033 58.281 58.200 0.080 0.000 1.115 764 S CB -2.319 60.920 63.200 0.065 0.000 0.893 764 S HN 0.262 nan 8.310 nan 0.000 0.475 765 L N 1.933 123.211 121.223 0.092 0.000 2.325 765 L HA 0.555 4.613 4.340 -0.470 0.000 0.281 765 L C -1.392 175.515 176.870 0.062 0.000 1.004 765 L CA -1.786 53.103 54.840 0.082 0.000 0.823 765 L CB 1.369 43.497 42.059 0.115 0.000 1.236 765 L HN 0.086 nan 8.230 nan 0.000 0.415 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.131 63.100 0.052 0.000 0.800 766 P CB 0.000 31.725 31.700 0.042 0.000 0.726