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 1b0j_1_A DATA FIRST_RESID 2 DATA SEQUENCE RAKVAMSHFE PHEYIRYDLL EKNIDIVRKR LNRPLTLSEK IVYGHLDDPA DATA SEQUENCE NQEIERGKTY LRLRPDRVAM QDATAQMAML QFISSGLPKV AVPSTIHCDH DATA SEQUENCE LIEAQLGGEK DLRRAKDINQ EVYNFLATAG AKYGVGFWRP GSGIIHQIIL DATA SEQUENCE ENYAYPGVLL IGTDSHTPNG GGLGGICIGV GGADAVDVMA GIPWELKCPK DATA SEQUENCE VIGVKLTGSL SGWTSPKDVI LKVAGILTVK GGTGAIVEYH GPGVDSISCT DATA SEQUENCE GMATICNMGA EIGATTSVFP YNHRMKKYLS KTGRADIANL ADEFKDHLVP DATA SEQUENCE DPGCHYDQVI EINLSELKPH INGPFTPDLA HPVAEVGSVA EKEGWPLDIR DATA SEQUENCE VGLIGSCTNS SYEDMGRSAA VAKQALAHGL KCKSQFTITP GSEQIRATIE DATA SEQUENCE RDGYAQVLRD VGGIVLANAC GPCIGQWDRK DIKKGEKNTI VTSYNRNFTG DATA SEQUENCE RNDANPETHA FVTSPEIVTA LAIAGTLKFN PETDFLTGKD GKKFKLEAPD DATA SEQUENCE ADELPRAEFD PGQDTYQHPP KDSSGQRVDV SPTSQRLQLL EPFDKWDGKD DATA SEQUENCE LEDLQILIKV KGKCTTDHIS AAGPWLKFRG HLDNISNNLL IGAINIENRK DATA SEQUENCE ANSVRNAVTQ EFGPVPDTAR YYKQHGIRWV VIGDENYGEG ASREHSALEP DATA SEQUENCE RHLGGRAIIT KSFARIHETN LKKQGLLPLT FADPADYNKI HPVDKLTIQG DATA SEQUENCE LKDFAPGKPL KCIIKHPNGT QETILLNHTF NETQIEWFRA GSALNRMKEL DATA SEQUENCE QQK 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 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.290 176.300 -0.017 0.000 0.893 2 R CA 0.000 56.118 56.100 0.031 0.000 0.921 2 R CB 0.000 30.354 30.300 0.090 0.000 0.687 3 A N 1.015 123.825 122.820 -0.016 0.000 2.271 3 A HA 0.602 4.923 4.320 0.001 0.000 0.288 3 A C -1.038 176.406 177.584 -0.232 0.000 1.094 3 A CA -0.141 51.847 52.037 -0.083 0.000 0.828 3 A CB 0.646 19.633 19.000 -0.023 0.000 1.091 3 A HN 0.401 nan 8.150 nan 0.000 0.493 4 K N 0.963 121.151 120.400 -0.352 0.000 2.540 4 K HA 0.476 4.796 4.320 0.001 0.000 0.218 4 K C -1.531 174.805 176.600 -0.440 0.000 1.017 4 K CA -0.109 55.707 56.287 -0.786 0.000 1.029 4 K CB 1.412 33.325 32.500 -0.979 0.000 1.348 4 K HN 0.359 nan 8.250 nan 0.000 0.508 5 V N 2.091 121.887 119.914 -0.195 0.000 2.417 5 V HA 0.541 4.661 4.120 0.001 0.000 0.291 5 V C -0.047 176.111 176.094 0.107 0.000 1.024 5 V CA -0.916 61.357 62.300 -0.046 0.000 0.861 5 V CB 1.523 33.271 31.823 -0.125 0.000 0.985 5 V HN 0.719 nan 8.190 nan 0.000 0.436 6 A N 4.725 127.613 122.820 0.114 0.000 2.295 6 A HA 0.654 4.974 4.320 0.001 0.000 0.318 6 A C 0.978 178.498 177.584 -0.107 0.000 1.134 6 A CA -0.601 51.468 52.037 0.052 0.000 0.827 6 A CB 0.762 19.758 19.000 -0.006 0.000 1.136 6 A HN 0.886 nan 8.150 nan 0.000 0.493 7 M N 0.965 120.487 119.600 -0.129 0.000 2.346 7 M HA -0.074 4.406 4.480 0.001 0.000 0.263 7 M C 0.438 176.725 176.300 -0.021 0.000 1.064 7 M CA 1.586 56.833 55.300 -0.090 0.000 1.083 7 M CB -0.519 32.122 32.600 0.068 0.000 1.399 7 M HN 0.861 nan 8.290 nan 0.000 0.435 8 S N -3.210 112.450 115.700 -0.067 0.000 2.615 8 S HA 0.274 4.744 4.470 0.001 0.000 0.268 8 S C -0.049 174.432 174.600 -0.198 0.000 1.146 8 S CA -1.069 57.036 58.200 -0.159 0.000 0.818 8 S CB 0.514 63.660 63.200 -0.092 0.000 1.111 8 S HN 0.137 nan 8.310 nan 0.000 0.465 9 H N 0.231 118.972 119.070 -0.548 0.000 2.518 9 H HA 0.160 4.716 4.556 0.001 0.000 0.289 9 H C 0.623 175.505 175.328 -0.743 0.000 1.051 9 H CA 1.120 56.756 56.048 -0.686 0.000 1.280 9 H CB -0.395 28.796 29.762 -0.951 0.000 1.380 9 H HN 0.606 nan 8.280 nan 0.000 0.566 10 F N -0.294 119.643 119.950 -0.023 0.000 2.720 10 F HA 0.245 4.772 4.527 0.001 0.000 0.301 10 F C 0.252 176.079 175.800 0.045 0.000 1.103 10 F CA -0.089 57.894 58.000 -0.029 0.000 1.291 10 F CB 0.580 39.527 39.000 -0.089 0.000 1.086 10 F HN -0.088 nan 8.300 nan 0.000 0.592 11 E N 1.700 121.934 120.200 0.056 0.000 2.593 11 E HA 0.194 4.544 4.350 0.001 0.000 0.232 11 E C -1.996 174.360 176.600 -0.406 0.000 1.026 11 E CA -1.543 54.718 56.400 -0.231 0.000 0.772 11 E CB 1.149 30.754 29.700 -0.158 0.000 1.310 11 E HN -0.079 nan 8.360 nan 0.000 0.413 12 P HA -0.091 nan 4.420 nan 0.000 0.245 12 P C 0.122 177.303 177.300 -0.197 0.000 1.212 12 P CA 0.838 63.839 63.100 -0.164 0.000 0.774 12 P CB 0.107 31.788 31.700 -0.032 0.000 0.999 13 H N -3.516 115.419 119.070 -0.225 0.000 2.755 13 H HA 0.369 4.925 4.556 0.001 0.000 0.273 13 H C 0.142 175.057 175.328 -0.689 0.000 1.055 13 H CA -0.358 55.444 56.048 -0.409 0.000 1.191 13 H CB -0.116 29.550 29.762 -0.160 0.000 1.536 13 H HN -0.108 nan 8.280 nan 0.000 0.529 14 E N 1.589 121.347 120.200 -0.737 0.000 2.113 14 E HA 0.193 4.543 4.350 0.001 0.000 0.273 14 E C -1.143 175.173 176.600 -0.472 0.000 0.924 14 E CA -0.606 55.523 56.400 -0.452 0.000 0.764 14 E CB 1.159 30.710 29.700 -0.248 0.000 1.104 14 E HN 0.342 nan 8.360 nan 0.000 0.406 15 Y N 1.041 121.314 120.300 -0.045 0.000 2.420 15 Y HA 0.386 4.936 4.550 0.001 0.000 0.334 15 Y C 1.003 176.821 175.900 -0.137 0.000 1.094 15 Y CA -1.097 56.942 58.100 -0.101 0.000 1.126 15 Y CB 0.950 39.361 38.460 -0.082 0.000 1.217 15 Y HN 0.342 nan 8.280 nan 0.000 0.462 16 I N 4.295 124.817 120.570 -0.079 0.000 2.598 16 I HA 0.076 4.246 4.170 0.001 0.000 0.284 16 I C 0.172 176.133 176.117 -0.259 0.000 1.140 16 I CA -0.076 61.034 61.300 -0.316 0.000 1.420 16 I CB 0.301 37.860 38.000 -0.734 0.000 1.387 16 I HN 0.382 nan 8.210 nan 0.000 0.553 17 R N 6.842 127.244 120.500 -0.163 0.000 3.559 17 R HA 0.146 4.486 4.340 0.001 0.000 0.273 17 R C 0.118 176.361 176.300 -0.096 0.000 1.423 17 R CA -0.475 55.562 56.100 -0.104 0.000 1.581 17 R CB -0.344 29.942 30.300 -0.023 0.000 1.338 17 R HN 0.557 nan 8.270 nan 0.000 0.667 18 Y N 1.081 121.173 120.300 -0.346 0.000 2.421 18 Y HA -0.160 4.391 4.550 0.001 0.000 0.292 18 Y C 1.911 177.501 175.900 -0.517 0.000 1.136 18 Y CA 0.673 58.393 58.100 -0.633 0.000 1.255 18 Y CB -0.077 37.536 38.460 -1.411 0.000 0.991 18 Y HN 0.410 nan 8.280 nan 0.000 0.552 19 D N -0.918 119.413 120.400 -0.115 0.000 2.149 19 D HA -0.151 4.489 4.640 0.001 0.000 0.201 19 D C 1.999 178.302 176.300 0.005 0.000 0.972 19 D CA 0.786 54.807 54.000 0.036 0.000 0.835 19 D CB -0.422 40.422 40.800 0.073 0.000 0.966 19 D HN 0.186 nan 8.370 nan 0.000 0.476 20 L N 0.360 121.569 121.223 -0.023 0.000 2.109 20 L HA -0.032 4.308 4.340 0.001 0.000 0.207 20 L C 2.582 179.413 176.870 -0.064 0.000 1.086 20 L CA 0.666 55.488 54.840 -0.029 0.000 0.760 20 L CB -1.014 41.027 42.059 -0.030 0.000 0.910 20 L HN 0.114 nan 8.230 nan 0.000 0.437 21 L N 0.372 121.537 121.223 -0.097 0.000 1.989 21 L HA -0.242 4.098 4.340 0.001 0.000 0.211 21 L C 2.528 179.323 176.870 -0.125 0.000 1.071 21 L CA 1.959 56.727 54.840 -0.121 0.000 0.749 21 L CB -0.592 41.410 42.059 -0.096 0.000 0.890 21 L HN 0.299 nan 8.230 nan 0.000 0.431 22 E N -0.407 119.680 120.200 -0.189 0.000 2.033 22 E HA -0.331 4.019 4.350 0.001 0.000 0.199 22 E C 2.316 178.878 176.600 -0.063 0.000 1.011 22 E CA 1.793 58.045 56.400 -0.246 0.000 0.815 22 E CB -0.272 29.351 29.700 -0.129 0.000 0.755 22 E HN 0.468 nan 8.360 nan 0.000 0.451 23 K N 0.030 120.422 120.400 -0.013 0.000 2.127 23 K HA -0.222 4.099 4.320 0.001 0.000 0.208 23 K C 1.649 178.262 176.600 0.021 0.000 1.047 23 K CA 1.824 58.121 56.287 0.017 0.000 0.927 23 K CB -0.053 32.459 32.500 0.021 0.000 0.716 23 K HN 0.127 nan 8.250 nan 0.000 0.450 24 N N 0.526 119.234 118.700 0.013 0.000 2.336 24 N HA -0.010 4.730 4.740 0.001 0.000 0.177 24 N C 1.906 177.452 175.510 0.061 0.000 1.018 24 N CA 0.693 53.764 53.050 0.035 0.000 0.878 24 N CB -0.087 38.421 38.487 0.035 0.000 0.997 24 N HN 0.205 nan 8.380 nan 0.000 0.433 25 I N 1.146 121.753 120.570 0.061 0.000 2.208 25 I HA -0.284 3.886 4.170 0.001 0.000 0.245 25 I C 2.026 178.205 176.117 0.103 0.000 1.097 25 I CA 1.395 62.759 61.300 0.107 0.000 1.363 25 I CB -0.137 37.929 38.000 0.110 0.000 1.051 25 I HN 0.077 nan 8.210 nan 0.000 0.413 26 D N 1.084 121.533 120.400 0.081 0.000 2.097 26 D HA -0.182 4.459 4.640 0.001 0.000 0.195 26 D C 2.199 178.535 176.300 0.059 0.000 0.989 26 D CA 1.344 55.391 54.000 0.077 0.000 0.827 26 D CB -0.017 40.826 40.800 0.072 0.000 0.966 26 D HN 0.273 nan 8.370 nan 0.000 0.456 27 I N -0.115 120.484 120.570 0.049 0.000 2.208 27 I HA -0.252 3.918 4.170 0.001 0.000 0.245 27 I C 2.263 178.399 176.117 0.032 0.000 1.097 27 I CA 0.636 61.957 61.300 0.036 0.000 1.363 27 I CB -0.210 37.807 38.000 0.030 0.000 1.051 27 I HN 0.068 nan 8.210 nan 0.000 0.413 28 V N 1.674 121.615 119.914 0.046 0.000 2.323 28 V HA -0.238 3.883 4.120 0.001 0.000 0.244 28 V C 2.549 178.672 176.094 0.049 0.000 1.041 28 V CA 2.180 64.502 62.300 0.037 0.000 1.025 28 V CB -0.781 31.090 31.823 0.080 0.000 0.656 28 V HN 0.531 nan 8.190 nan 0.000 0.451 29 R N 0.326 120.871 120.500 0.074 0.000 2.189 29 R HA -0.100 4.240 4.340 0.001 0.000 0.218 29 R C 2.022 178.346 176.300 0.041 0.000 1.074 29 R CA 1.114 57.254 56.100 0.067 0.000 0.991 29 R CB -0.406 29.941 30.300 0.077 0.000 0.883 29 R HN 0.260 nan 8.270 nan 0.000 0.457 30 K N 1.077 121.498 120.400 0.034 0.000 2.148 30 K HA 0.013 4.334 4.320 0.001 0.000 0.204 30 K C 2.014 178.621 176.600 0.012 0.000 1.050 30 K CA 1.286 57.587 56.287 0.022 0.000 0.942 30 K CB 0.059 32.572 32.500 0.021 0.000 0.724 30 K HN 0.213 nan 8.250 nan 0.000 0.446 31 R N -0.460 120.044 120.500 0.006 0.000 2.119 31 R HA 0.091 4.432 4.340 0.001 0.000 0.222 31 R C 1.763 178.057 176.300 -0.009 0.000 1.088 31 R CA 0.897 56.993 56.100 -0.007 0.000 0.984 31 R CB 0.017 30.305 30.300 -0.020 0.000 0.884 31 R HN 0.142 nan 8.270 nan 0.000 0.447 32 L N -0.180 121.043 121.223 -0.001 0.000 2.470 32 L HA 0.126 4.467 4.340 0.001 0.000 0.219 32 L C -0.090 176.784 176.870 0.006 0.000 1.071 32 L CA -0.165 54.676 54.840 0.001 0.000 0.850 32 L CB -0.089 41.978 42.059 0.015 0.000 1.040 32 L HN 0.152 nan 8.230 nan 0.000 0.475 33 N N 2.622 121.329 118.700 0.012 0.000 2.667 33 N HA -0.198 4.542 4.740 0.001 0.000 0.263 33 N C -0.417 175.095 175.510 0.004 0.000 1.038 33 N CA 0.957 54.012 53.050 0.008 0.000 0.749 33 N CB -0.694 37.794 38.487 0.001 0.000 0.892 33 N HN 0.609 nan 8.380 nan 0.000 0.546 34 R N -2.590 117.917 120.500 0.012 0.000 2.728 34 R HA 0.584 4.924 4.340 0.001 0.000 0.274 34 R C -3.322 172.984 176.300 0.011 0.000 1.032 34 R CA -1.422 54.681 56.100 0.004 0.000 0.866 34 R CB 0.427 30.728 30.300 0.001 0.000 1.263 34 R HN -0.213 nan 8.270 nan 0.000 0.475 35 P HA 0.151 nan 4.420 nan 0.000 0.268 35 P C -0.904 176.390 177.300 -0.009 0.000 1.205 35 P CA -0.195 62.895 63.100 -0.017 0.000 0.771 35 P CB 0.493 32.164 31.700 -0.049 0.000 0.858 36 L N 1.865 123.087 121.223 -0.001 0.000 2.334 36 L HA 0.446 4.786 4.340 0.001 0.000 0.276 36 L C 1.231 178.073 176.870 -0.047 0.000 1.014 36 L CA -0.766 54.078 54.840 0.006 0.000 0.815 36 L CB 1.691 43.780 42.059 0.049 0.000 1.268 36 L HN 0.427 nan 8.230 nan 0.000 0.428 37 T N -1.208 113.300 114.554 -0.077 0.000 2.729 37 T HA 0.125 4.476 4.350 0.001 0.000 0.298 37 T C 0.925 175.612 174.700 -0.021 0.000 1.013 37 T CA -0.521 61.537 62.100 -0.069 0.000 0.957 37 T CB 0.832 69.685 68.868 -0.025 0.000 1.130 37 T HN 0.466 nan 8.240 nan 0.000 0.526 38 L N 1.014 122.255 121.223 0.032 0.000 2.027 38 L HA -0.012 4.328 4.340 0.001 0.000 0.206 38 L C 2.807 179.682 176.870 0.009 0.000 1.074 38 L CA 2.550 57.415 54.840 0.042 0.000 0.745 38 L CB -1.361 40.747 42.059 0.082 0.000 0.898 38 L HN 0.939 nan 8.230 nan 0.000 0.433 39 S N -1.110 114.585 115.700 -0.009 0.000 2.370 39 S HA -0.231 4.239 4.470 0.001 0.000 0.226 39 S C 1.789 176.283 174.600 -0.177 0.000 1.033 39 S CA 1.346 59.516 58.200 -0.050 0.000 1.011 39 S CB -0.885 62.295 63.200 -0.034 0.000 0.852 39 S HN 0.646 nan 8.310 nan 0.000 0.457 40 E N 1.552 121.570 120.200 -0.305 0.000 2.077 40 E HA -0.131 4.219 4.350 0.001 0.000 0.193 40 E C 2.233 178.503 176.600 -0.550 0.000 0.989 40 E CA 1.185 57.114 56.400 -0.783 0.000 0.800 40 E CB -0.169 29.149 29.700 -0.636 0.000 0.746 40 E HN 0.607 nan 8.360 nan 0.000 0.452 41 K N 0.574 120.871 120.400 -0.172 0.000 2.002 41 K HA -0.124 4.196 4.320 0.001 0.000 0.209 41 K C 2.196 178.829 176.600 0.055 0.000 1.048 41 K CA 1.174 57.459 56.287 -0.003 0.000 0.930 41 K CB -0.136 32.403 32.500 0.064 0.000 0.714 41 K HN 0.081 nan 8.250 nan 0.000 0.438 42 I N 0.533 121.140 120.570 0.063 0.000 2.179 42 I HA -0.268 3.903 4.170 0.001 0.000 0.242 42 I C 2.223 178.484 176.117 0.241 0.000 1.088 42 I CA 0.972 62.374 61.300 0.170 0.000 1.357 42 I CB -0.208 37.865 38.000 0.123 0.000 1.051 42 I HN -0.046 nan 8.210 nan 0.000 0.409 43 V N 0.166 120.130 119.914 0.083 0.000 2.261 43 V HA -0.289 3.831 4.120 0.001 0.000 0.246 43 V C 2.318 178.585 176.094 0.289 0.000 1.047 43 V CA 1.849 64.227 62.300 0.129 0.000 1.015 43 V CB -0.764 31.062 31.823 0.006 0.000 0.642 43 V HN 0.298 nan 8.190 nan 0.000 0.446 44 Y N 1.365 121.741 120.300 0.127 0.000 2.352 44 Y HA 0.028 4.578 4.550 0.001 0.000 0.292 44 Y C 2.559 178.521 175.900 0.103 0.000 1.136 44 Y CA 0.517 58.677 58.100 0.100 0.000 1.227 44 Y CB -1.585 36.917 38.460 0.070 0.000 0.991 44 Y HN 0.266 nan 8.280 nan 0.000 0.545 45 G N -0.981 107.972 108.800 0.256 0.000 2.450 45 G HA2 -0.258 3.702 3.960 0.001 0.000 0.220 45 G HA3 -0.258 3.702 3.960 0.001 0.000 0.220 45 G C 0.744 175.689 174.900 0.076 0.000 1.130 45 G CA 0.902 46.078 45.100 0.128 0.000 0.760 45 G HN 0.467 nan 8.290 nan 0.000 0.557 46 H N -0.448 118.707 119.070 0.141 0.000 2.537 46 H HA 0.407 4.963 4.556 0.001 0.000 0.295 46 H C 0.445 175.856 175.328 0.139 0.000 1.054 46 H CA -0.472 55.657 56.048 0.135 0.000 1.156 46 H CB -0.031 29.817 29.762 0.144 0.000 1.468 46 H HN 0.160 nan 8.280 nan 0.000 0.551 47 L N 0.122 121.467 121.223 0.202 0.000 2.417 47 L HA 0.060 4.400 4.340 0.001 0.000 0.268 47 L C 1.536 178.475 176.870 0.115 0.000 1.158 47 L CA -0.047 54.885 54.840 0.153 0.000 0.819 47 L CB 0.954 43.077 42.059 0.106 0.000 1.112 47 L HN 0.214 nan 8.230 nan 0.000 0.458 48 D N 0.369 120.832 120.400 0.106 0.000 2.144 48 D HA -0.161 4.479 4.640 0.001 0.000 0.200 48 D C 0.252 176.588 176.300 0.061 0.000 0.978 48 D CA 1.133 55.185 54.000 0.088 0.000 0.833 48 D CB 0.337 41.191 40.800 0.089 0.000 0.961 48 D HN 0.461 nan 8.370 nan 0.000 0.470 49 D N -1.224 119.205 120.400 0.048 0.000 2.363 49 D HA 0.175 4.816 4.640 0.001 0.000 0.258 49 D C -1.969 174.342 176.300 0.018 0.000 1.259 49 D CA -1.860 52.158 54.000 0.031 0.000 0.921 49 D CB 1.630 42.444 40.800 0.023 0.000 1.201 49 D HN 0.003 nan 8.370 nan 0.000 0.524 50 P HA -0.033 nan 4.420 nan 0.000 0.221 50 P C 1.086 178.383 177.300 -0.005 0.000 1.150 50 P CA 0.447 63.553 63.100 0.010 0.000 0.800 50 P CB 0.436 32.154 31.700 0.030 0.000 0.787 51 A N 0.120 122.941 122.820 0.002 0.000 2.014 51 A HA -0.085 4.236 4.320 0.001 0.000 0.218 51 A C 1.993 179.570 177.584 -0.012 0.000 1.163 51 A CA 1.303 53.339 52.037 -0.003 0.000 0.652 51 A CB -0.762 18.241 19.000 0.004 0.000 0.808 51 A HN 0.138 nan 8.150 nan 0.000 0.449 52 N N -1.081 117.612 118.700 -0.012 0.000 2.348 52 N HA 0.054 4.795 4.740 0.001 0.000 0.183 52 N C 0.540 176.034 175.510 -0.027 0.000 1.094 52 N CA 0.117 53.157 53.050 -0.016 0.000 0.885 52 N CB -0.120 38.363 38.487 -0.007 0.000 1.065 52 N HN 0.511 nan 8.380 nan 0.000 0.472 53 Q N 2.449 122.229 119.800 -0.034 0.000 2.247 53 Q HA -0.026 4.314 4.340 0.001 0.000 0.288 53 Q C -0.674 175.279 176.000 -0.078 0.000 1.079 53 Q CA 0.601 56.374 55.803 -0.051 0.000 0.932 53 Q CB 0.151 28.855 28.738 -0.056 0.000 1.133 53 Q HN 0.155 nan 8.270 nan 0.000 0.377 54 E N 4.489 124.647 120.200 -0.069 0.000 2.299 54 E HA 0.187 4.537 4.350 0.001 0.000 0.272 54 E C -0.477 176.055 176.600 -0.112 0.000 1.043 54 E CA 0.063 56.416 56.400 -0.079 0.000 0.895 54 E CB 0.608 30.274 29.700 -0.058 0.000 1.011 54 E HN 0.562 nan 8.360 nan 0.000 0.432 55 I N 3.252 123.735 120.570 -0.145 0.000 2.389 55 I HA 0.269 4.439 4.170 0.001 0.000 0.288 55 I C -0.079 175.970 176.117 -0.115 0.000 0.999 55 I CA -0.413 60.769 61.300 -0.197 0.000 1.129 55 I CB 1.225 38.990 38.000 -0.391 0.000 1.288 55 I HN 0.366 nan 8.210 nan 0.000 0.444 56 E N 6.393 126.546 120.200 -0.077 0.000 2.313 56 E HA 0.279 4.630 4.350 0.001 0.000 0.280 56 E C -1.110 175.474 176.600 -0.027 0.000 0.898 56 E CA -0.764 55.608 56.400 -0.046 0.000 0.803 56 E CB 2.227 31.892 29.700 -0.057 0.000 1.286 56 E HN 0.527 nan 8.360 nan 0.000 0.401 57 R N 0.255 120.765 120.500 0.017 0.000 2.449 57 R HA 0.272 4.613 4.340 0.001 0.000 0.296 57 R C 1.137 177.431 176.300 -0.010 0.000 1.047 57 R CA 1.019 57.137 56.100 0.030 0.000 1.018 57 R CB 0.300 30.638 30.300 0.063 0.000 0.962 57 R HN 0.868 nan 8.270 nan 0.000 0.428 58 G N 2.153 110.930 108.800 -0.037 0.000 2.205 58 G HA2 -0.336 3.624 3.960 0.001 0.000 0.261 58 G HA3 -0.336 3.624 3.960 0.001 0.000 0.261 58 G C 0.752 175.585 174.900 -0.112 0.000 0.980 58 G CA 0.625 45.688 45.100 -0.063 0.000 0.632 58 G HN 0.612 nan 8.290 nan 0.000 0.533 59 K N -0.386 119.937 120.400 -0.128 0.000 2.353 59 K HA 0.172 4.493 4.320 0.001 0.000 0.206 59 K C 1.385 177.838 176.600 -0.245 0.000 1.191 59 K CA 0.947 57.136 56.287 -0.164 0.000 0.897 59 K CB 0.286 32.723 32.500 -0.106 0.000 1.283 59 K HN 0.480 nan 8.250 nan 0.000 0.477 60 T N -0.744 113.688 114.554 -0.204 0.000 2.899 60 T HA 0.274 4.625 4.350 0.001 0.000 0.284 60 T C -0.382 174.143 174.700 -0.293 0.000 1.004 60 T CA -0.466 61.514 62.100 -0.201 0.000 1.043 60 T CB 0.608 69.410 68.868 -0.111 0.000 1.013 60 T HN -0.080 nan 8.240 nan 0.000 0.518 61 Y N 0.903 121.150 120.300 -0.088 0.000 2.335 61 Y HA 0.471 5.021 4.550 0.001 0.000 0.339 61 Y C 0.193 176.030 175.900 -0.105 0.000 0.987 61 Y CA -1.252 56.779 58.100 -0.115 0.000 1.140 61 Y CB 0.831 39.206 38.460 -0.142 0.000 1.173 61 Y HN 0.509 nan 8.280 nan 0.000 0.486 62 L N 5.205 126.447 121.223 0.032 0.000 2.326 62 L HA 0.514 4.854 4.340 0.001 0.000 0.278 62 L C 0.073 176.939 176.870 -0.007 0.000 1.092 62 L CA -0.693 54.153 54.840 0.010 0.000 0.810 62 L CB 0.600 42.676 42.059 0.029 0.000 1.153 62 L HN 0.443 nan 8.230 nan 0.000 0.439 63 R N 4.945 125.457 120.500 0.021 0.000 2.204 63 R HA 0.532 4.873 4.340 0.001 0.000 0.341 63 R C -0.960 175.398 176.300 0.097 0.000 1.035 63 R CA -0.492 55.631 56.100 0.038 0.000 0.887 63 R CB 0.636 30.964 30.300 0.045 0.000 1.114 63 R HN 0.525 nan 8.270 nan 0.000 0.473 64 L N 2.831 124.145 121.223 0.152 0.000 2.334 64 L HA 0.532 4.872 4.340 0.001 0.000 0.270 64 L C 0.487 177.531 176.870 0.291 0.000 1.018 64 L CA -1.174 53.816 54.840 0.252 0.000 0.811 64 L CB 1.170 43.437 42.059 0.345 0.000 1.271 64 L HN 0.272 nan 8.230 nan 0.000 0.443 65 R N 1.776 122.441 120.500 0.274 0.000 2.332 65 R HA 0.377 4.718 4.340 0.001 0.000 0.306 65 R C -2.536 173.912 176.300 0.247 0.000 1.117 65 R CA -2.074 54.169 56.100 0.238 0.000 1.108 65 R CB 0.635 31.049 30.300 0.190 0.000 1.126 65 R HN 0.250 nan 8.270 nan 0.000 0.548 66 P HA 0.087 nan 4.420 nan 0.000 0.269 66 P C 0.269 177.611 177.300 0.071 0.000 1.215 66 P CA -0.174 62.953 63.100 0.045 0.000 0.780 66 P CB 1.043 32.674 31.700 -0.116 0.000 0.898 67 D N 0.931 121.364 120.400 0.056 0.000 2.183 67 D HA -0.003 4.637 4.640 0.001 0.000 0.205 67 D C 0.920 177.248 176.300 0.047 0.000 0.962 67 D CA 1.177 55.236 54.000 0.097 0.000 0.849 67 D CB 0.439 41.327 40.800 0.147 0.000 0.978 67 D HN 0.497 nan 8.370 nan 0.000 0.488 68 R N -1.040 119.450 120.500 -0.017 0.000 2.766 68 R HA 0.621 4.962 4.340 0.001 0.000 0.270 68 R C -1.661 174.580 176.300 -0.098 0.000 1.035 68 R CA -0.826 55.254 56.100 -0.034 0.000 0.911 68 R CB 1.425 31.721 30.300 -0.007 0.000 1.243 68 R HN -0.256 nan 8.270 nan 0.000 0.460 69 V N 0.373 120.224 119.914 -0.106 0.000 2.540 69 V HA 0.799 4.920 4.120 0.001 0.000 0.302 69 V C -0.668 175.352 176.094 -0.122 0.000 1.035 69 V CA -0.503 61.716 62.300 -0.135 0.000 0.873 69 V CB 1.558 33.300 31.823 -0.134 0.000 0.992 69 V HN 0.967 nan 8.190 nan 0.000 0.428 70 A N 6.099 128.849 122.820 -0.117 0.000 2.401 70 A HA 1.009 5.330 4.320 0.001 0.000 0.310 70 A C -0.814 176.742 177.584 -0.047 0.000 1.075 70 A CA -0.651 51.338 52.037 -0.080 0.000 0.746 70 A CB 1.699 20.621 19.000 -0.130 0.000 1.277 70 A HN 0.786 nan 8.150 nan 0.000 0.425 71 M N 1.064 120.679 119.600 0.024 0.000 2.550 71 M HA 0.420 4.901 4.480 0.001 0.000 0.292 71 M C -0.896 175.435 176.300 0.052 0.000 1.221 71 M CA -0.719 54.587 55.300 0.011 0.000 0.873 71 M CB 2.567 35.171 32.600 0.007 0.000 1.727 71 M HN 0.873 nan 8.290 nan 0.000 0.459 72 Q N -0.454 119.330 119.800 -0.026 0.000 2.297 72 Q HA 0.397 4.738 4.340 0.001 0.000 0.269 72 Q C -0.039 175.941 176.000 -0.034 0.000 1.051 72 Q CA -0.830 54.946 55.803 -0.044 0.000 0.869 72 Q CB 0.870 29.494 28.738 -0.189 0.000 1.346 72 Q HN 0.668 nan 8.270 nan 0.000 0.457 73 D N 1.046 121.459 120.400 0.021 0.000 2.149 73 D HA -0.222 4.419 4.640 0.001 0.000 0.198 73 D C 1.330 177.674 176.300 0.072 0.000 0.990 73 D CA 1.672 55.736 54.000 0.107 0.000 0.839 73 D CB -0.605 40.324 40.800 0.215 0.000 0.948 73 D HN 0.583 nan 8.370 nan 0.000 0.460 74 A N 0.098 122.888 122.820 -0.049 0.000 2.067 74 A HA -0.015 4.305 4.320 0.001 0.000 0.219 74 A C 2.174 179.737 177.584 -0.035 0.000 1.158 74 A CA 2.028 54.031 52.037 -0.056 0.000 0.661 74 A CB -0.650 18.270 19.000 -0.133 0.000 0.801 74 A HN 0.469 nan 8.150 nan 0.000 0.452 75 T N -4.854 109.679 114.554 -0.036 0.000 3.010 75 T HA 0.495 4.845 4.350 0.001 0.000 0.257 75 T C 1.642 176.400 174.700 0.098 0.000 1.020 75 T CA 0.790 62.934 62.100 0.073 0.000 0.938 75 T CB 0.192 69.088 68.868 0.047 0.000 1.049 75 T HN 0.386 nan 8.240 nan 0.000 0.522 76 A N 1.869 124.739 122.820 0.082 0.000 2.015 76 A HA -0.032 4.288 4.320 0.001 0.000 0.219 76 A C 2.367 180.055 177.584 0.174 0.000 1.163 76 A CA 1.127 53.225 52.037 0.102 0.000 0.646 76 A CB -0.583 18.482 19.000 0.108 0.000 0.806 76 A HN 0.608 nan 8.150 nan 0.000 0.448 77 Q N -1.598 118.335 119.800 0.221 0.000 1.993 77 Q HA -0.190 4.150 4.340 0.001 0.000 0.202 77 Q C 2.135 178.268 176.000 0.221 0.000 0.984 77 Q CA 1.724 57.704 55.803 0.294 0.000 0.837 77 Q CB -0.312 28.547 28.738 0.202 0.000 0.902 77 Q HN 0.587 nan 8.270 nan 0.000 0.423 78 M N 0.678 120.379 119.600 0.168 0.000 2.159 78 M HA -0.076 4.404 4.480 0.001 0.000 0.263 78 M C 1.970 178.308 176.300 0.064 0.000 1.063 78 M CA 1.607 56.958 55.300 0.085 0.000 1.110 78 M CB -0.455 32.155 32.600 0.016 0.000 1.374 78 M HN 0.225 nan 8.290 nan 0.000 0.411 79 A N -0.288 122.578 122.820 0.076 0.000 1.902 79 A HA -0.174 4.147 4.320 0.001 0.000 0.217 79 A C 2.064 179.687 177.584 0.064 0.000 1.181 79 A CA 1.929 53.993 52.037 0.046 0.000 0.623 79 A CB -0.580 18.437 19.000 0.027 0.000 0.818 79 A HN 0.502 nan 8.150 nan 0.000 0.443 80 M N -0.526 119.132 119.600 0.097 0.000 2.200 80 M HA 0.044 4.524 4.480 0.001 0.000 0.265 80 M C 2.114 178.519 176.300 0.174 0.000 1.066 80 M CA 1.036 56.396 55.300 0.100 0.000 1.127 80 M CB -1.439 31.230 32.600 0.116 0.000 1.379 80 M HN 0.375 nan 8.290 nan 0.000 0.420 81 L N -0.329 121.021 121.223 0.212 0.000 2.131 81 L HA -0.249 4.091 4.340 0.001 0.000 0.210 81 L C 2.497 179.397 176.870 0.049 0.000 1.092 81 L CA 1.199 56.124 54.840 0.143 0.000 0.759 81 L CB -0.520 41.575 42.059 0.059 0.000 0.903 81 L HN 0.420 nan 8.230 nan 0.000 0.435 82 Q N -1.286 118.532 119.800 0.030 0.000 2.172 82 Q HA -0.175 4.165 4.340 0.001 0.000 0.200 82 Q C 2.111 178.107 176.000 -0.006 0.000 0.964 82 Q CA 1.191 56.985 55.803 -0.014 0.000 0.855 82 Q CB -0.076 28.649 28.738 -0.021 0.000 0.918 82 Q HN 0.384 nan 8.270 nan 0.000 0.444 83 F N 1.328 121.195 119.950 -0.137 0.000 2.134 83 F HA -0.167 4.361 4.527 0.001 0.000 0.299 83 F C 1.866 177.520 175.800 -0.244 0.000 1.097 83 F CA 1.109 58.978 58.000 -0.217 0.000 1.264 83 F CB -0.027 38.774 39.000 -0.331 0.000 1.001 83 F HN -0.049 nan 8.300 nan 0.000 0.479 84 I N -0.624 119.902 120.570 -0.073 0.000 2.264 84 I HA -0.337 3.834 4.170 0.001 0.000 0.248 84 I C 2.269 178.329 176.117 -0.095 0.000 1.111 84 I CA 1.533 62.798 61.300 -0.059 0.000 1.382 84 I CB -0.638 37.418 38.000 0.093 0.000 1.060 84 I HN 0.035 nan 8.210 nan 0.000 0.418 85 S N 0.388 116.029 115.700 -0.099 0.000 2.423 85 S HA -0.147 4.324 4.470 0.001 0.000 0.231 85 S C 2.148 176.655 174.600 -0.155 0.000 1.014 85 S CA 1.326 59.461 58.200 -0.109 0.000 0.965 85 S CB -0.375 62.760 63.200 -0.108 0.000 0.785 85 S HN 0.639 nan 8.310 nan 0.000 0.495 86 S N 1.381 116.933 115.700 -0.246 0.000 2.382 86 S HA 0.110 4.580 4.470 0.001 0.000 0.228 86 S C 1.762 176.217 174.600 -0.241 0.000 1.027 86 S CA 1.045 59.081 58.200 -0.274 0.000 0.991 86 S CB -0.901 62.038 63.200 -0.434 0.000 0.823 86 S HN 0.977 nan 8.310 nan 0.000 0.469 87 G N 0.704 109.347 108.800 -0.262 0.000 2.132 87 G HA2 -0.186 3.775 3.960 0.001 0.000 0.228 87 G HA3 -0.186 3.775 3.960 0.001 0.000 0.228 87 G C -0.173 174.633 174.900 -0.158 0.000 1.000 87 G CA 0.204 45.212 45.100 -0.153 0.000 0.693 87 G HN 0.551 nan 8.290 nan 0.000 0.515 88 L N 0.737 121.764 121.223 -0.327 0.000 2.334 88 L HA 0.387 4.727 4.340 0.001 0.000 0.277 88 L C -0.098 176.785 176.870 0.022 0.000 1.075 88 L CA -1.840 52.872 54.840 -0.213 0.000 0.804 88 L CB 1.549 43.404 42.059 -0.341 0.000 1.174 88 L HN -0.001 nan 8.230 nan 0.000 0.438 89 P HA -0.038 nan 4.420 nan 0.000 0.221 89 P C -0.138 177.395 177.300 0.388 0.000 1.155 89 P CA 0.812 64.063 63.100 0.251 0.000 0.812 89 P CB 0.572 32.338 31.700 0.110 0.000 0.801 90 K N 0.661 121.293 120.400 0.386 0.000 2.523 90 K HA 0.358 4.678 4.320 0.001 0.000 0.257 90 K C -1.005 175.786 176.600 0.318 0.000 0.932 90 K CA -1.063 55.404 56.287 0.301 0.000 0.812 90 K CB 1.876 34.463 32.500 0.145 0.000 1.326 90 K HN -0.163 nan 8.250 nan 0.000 0.433 91 V N 1.763 121.768 119.914 0.152 0.000 2.811 91 V HA 0.544 4.664 4.120 0.001 0.000 0.302 91 V C 0.769 176.906 176.094 0.072 0.000 1.063 91 V CA 0.708 63.027 62.300 0.032 0.000 1.088 91 V CB 0.932 32.654 31.823 -0.169 0.000 0.982 91 V HN 0.853 nan 8.190 nan 0.000 0.485 92 A N 3.871 126.739 122.820 0.080 0.000 2.147 92 A HA 0.517 4.837 4.320 0.001 0.000 0.211 92 A C 0.886 178.504 177.584 0.056 0.000 1.160 92 A CA 0.896 52.978 52.037 0.076 0.000 0.781 92 A CB -0.322 18.731 19.000 0.087 0.000 0.842 92 A HN 1.732 nan 8.150 nan 0.000 0.475 93 V N -4.419 115.515 119.914 0.033 0.000 3.074 93 V HA 0.586 4.707 4.120 0.001 0.000 0.314 93 V C -3.111 172.998 176.094 0.024 0.000 1.117 93 V CA -3.084 59.236 62.300 0.034 0.000 1.014 93 V CB 1.289 33.126 31.823 0.023 0.000 1.057 93 V HN 0.028 nan 8.190 nan 0.000 0.438 94 P HA 0.196 nan 4.420 nan 0.000 0.260 94 P C -0.358 176.938 177.300 -0.008 0.000 1.185 94 P CA 0.706 63.834 63.100 0.046 0.000 0.763 94 P CB 0.329 32.080 31.700 0.085 0.000 0.776 95 S N 1.554 117.237 115.700 -0.028 0.000 2.548 95 S HA 0.729 5.200 4.470 0.001 0.000 0.286 95 S C -0.284 174.282 174.600 -0.056 0.000 1.098 95 S CA -0.563 57.595 58.200 -0.070 0.000 0.930 95 S CB 1.988 65.126 63.200 -0.105 0.000 1.070 95 S HN 0.581 nan 8.310 nan 0.000 0.480 96 T N -0.479 114.039 114.554 -0.060 0.000 2.909 96 T HA 0.780 5.131 4.350 0.001 0.000 0.299 96 T C -0.806 173.895 174.700 0.001 0.000 1.073 96 T CA -0.642 61.444 62.100 -0.024 0.000 0.999 96 T CB 0.773 69.607 68.868 -0.056 0.000 1.098 96 T HN 0.445 nan 8.240 nan 0.000 0.477 97 I N 2.053 122.593 120.570 -0.049 0.000 2.474 97 I HA 0.421 4.591 4.170 0.001 0.000 0.294 97 I C -0.294 175.655 176.117 -0.281 0.000 1.005 97 I CA -0.943 60.340 61.300 -0.029 0.000 1.113 97 I CB 1.662 39.722 38.000 0.101 0.000 1.289 97 I HN 0.620 nan 8.210 nan 0.000 0.436 98 H N 4.570 123.583 119.070 -0.096 0.000 2.547 98 H HA 0.306 4.862 4.556 0.001 0.000 0.342 98 H C -1.199 174.044 175.328 -0.142 0.000 1.048 98 H CA -0.551 55.414 56.048 -0.140 0.000 1.204 98 H CB 2.134 31.791 29.762 -0.174 0.000 1.493 98 H HN 0.522 nan 8.280 nan 0.000 0.511 99 C N 3.815 123.045 119.300 -0.117 0.000 2.125 99 C HA 0.089 4.550 4.460 0.001 0.000 0.355 99 C C 1.115 176.099 174.990 -0.010 0.000 1.047 99 C CA -0.631 58.334 59.018 -0.087 0.000 1.501 99 C CB -1.258 26.284 27.740 -0.329 0.000 1.783 99 C HN 0.810 nan 8.230 nan 0.000 0.455 100 D N -0.783 119.669 120.400 0.085 0.000 2.489 100 D HA 0.006 4.646 4.640 0.001 0.000 0.231 100 D C 1.045 177.417 176.300 0.119 0.000 1.114 100 D CA 0.393 54.441 54.000 0.080 0.000 0.842 100 D CB -0.254 40.573 40.800 0.045 0.000 1.133 100 D HN 0.468 nan 8.370 nan 0.000 0.506 101 H N 0.147 119.230 119.070 0.021 0.000 2.562 101 H HA 0.391 4.947 4.556 0.001 0.000 0.267 101 H C 1.279 176.632 175.328 0.041 0.000 0.959 101 H CA 0.466 56.524 56.048 0.017 0.000 1.204 101 H CB 0.454 30.227 29.762 0.019 0.000 1.430 101 H HN 0.053 nan 8.280 nan 0.000 0.545 102 L N 0.760 122.102 121.223 0.198 0.000 2.685 102 L HA 0.255 4.595 4.340 0.001 0.000 0.233 102 L C -0.354 176.585 176.870 0.115 0.000 1.173 102 L CA 0.062 54.983 54.840 0.136 0.000 0.961 102 L CB 0.236 42.376 42.059 0.135 0.000 1.217 102 L HN 0.109 nan 8.230 nan 0.000 0.478 103 I N 0.359 120.988 120.570 0.098 0.000 2.347 103 I HA 0.129 4.300 4.170 0.001 0.000 0.283 103 I C 0.659 176.798 176.117 0.037 0.000 1.058 103 I CA -0.171 61.177 61.300 0.079 0.000 1.202 103 I CB 0.877 38.920 38.000 0.073 0.000 1.386 103 I HN 0.136 nan 8.210 nan 0.000 0.475 104 E N 4.694 124.918 120.200 0.040 0.000 2.398 104 E HA 0.379 4.729 4.350 0.001 0.000 0.263 104 E C -0.499 176.135 176.600 0.056 0.000 1.046 104 E CA -0.338 56.090 56.400 0.047 0.000 0.908 104 E CB 1.187 30.912 29.700 0.042 0.000 0.963 104 E HN 0.665 nan 8.360 nan 0.000 0.431 105 A N 3.661 126.533 122.820 0.087 0.000 2.304 105 A HA 0.276 4.597 4.320 0.001 0.000 0.323 105 A C 0.133 177.823 177.584 0.177 0.000 1.195 105 A CA -0.289 51.801 52.037 0.089 0.000 0.826 105 A CB 1.576 20.586 19.000 0.016 0.000 1.184 105 A HN 0.850 nan 8.150 nan 0.000 0.496 106 Q N 1.418 121.292 119.800 0.123 0.000 2.102 106 Q HA 0.126 4.467 4.340 0.001 0.000 0.157 106 Q C -0.093 175.959 176.000 0.087 0.000 0.620 106 Q CA -0.023 55.851 55.803 0.119 0.000 0.880 106 Q CB -0.035 28.752 28.738 0.081 0.000 1.113 106 Q HN 0.572 nan 8.270 nan 0.000 0.320 107 L N 0.899 122.158 121.223 0.060 0.000 2.513 107 L HA 0.452 4.792 4.340 0.001 0.000 0.222 107 L C 0.632 177.524 176.870 0.036 0.000 1.096 107 L CA 1.549 56.417 54.840 0.046 0.000 0.857 107 L CB 1.073 43.154 42.059 0.036 0.000 1.026 107 L HN 0.495 nan 8.230 nan 0.000 0.469 108 G N -2.325 106.493 108.800 0.030 0.000 2.629 108 G HA2 0.210 4.170 3.960 0.001 0.000 0.686 108 G HA3 0.210 4.170 3.960 0.001 0.000 0.686 108 G C 0.656 175.562 174.900 0.011 0.000 1.232 108 G CA -0.426 44.682 45.100 0.013 0.000 0.803 108 G HN 0.524 nan 8.290 nan 0.000 0.638 109 G N 0.993 109.793 108.800 0.001 0.000 3.376 109 G HA2 -0.294 3.667 3.960 0.001 0.000 0.286 109 G HA3 -0.294 3.667 3.960 0.001 0.000 0.286 109 G C 1.541 176.447 174.900 0.011 0.000 0.909 109 G CA 2.747 47.849 45.100 0.003 0.000 0.769 109 G HN 2.257 nan 8.290 nan 0.000 1.194 110 E N 0.197 120.406 120.200 0.015 0.000 2.077 110 E HA -0.015 4.335 4.350 0.001 0.000 0.193 110 E C 2.346 178.960 176.600 0.023 0.000 0.989 110 E CA 1.560 57.971 56.400 0.019 0.000 0.800 110 E CB -0.292 29.419 29.700 0.018 0.000 0.746 110 E HN 0.632 nan 8.360 nan 0.000 0.452 111 K N 0.680 121.093 120.400 0.023 0.000 2.001 111 K HA -0.181 4.139 4.320 0.001 0.000 0.214 111 K C 1.922 178.540 176.600 0.030 0.000 1.050 111 K CA 1.837 58.139 56.287 0.026 0.000 0.934 111 K CB -0.263 32.252 32.500 0.025 0.000 0.718 111 K HN 0.153 nan 8.250 nan 0.000 0.443 112 D N 0.827 121.245 120.400 0.030 0.000 2.149 112 D HA -0.166 4.474 4.640 0.001 0.000 0.198 112 D C 1.834 178.161 176.300 0.045 0.000 0.990 112 D CA 0.815 54.836 54.000 0.036 0.000 0.839 112 D CB -0.215 40.603 40.800 0.031 0.000 0.948 112 D HN 0.031 nan 8.370 nan 0.000 0.460 113 L N 1.074 122.322 121.223 0.041 0.000 2.056 113 L HA -0.100 4.241 4.340 0.001 0.000 0.207 113 L C 2.174 179.085 176.870 0.067 0.000 1.078 113 L CA 1.574 56.446 54.840 0.053 0.000 0.749 113 L CB -0.232 41.847 42.059 0.034 0.000 0.901 113 L HN -0.137 nan 8.230 nan 0.000 0.433 114 R N -0.824 119.707 120.500 0.052 0.000 2.073 114 R HA -0.167 4.173 4.340 0.001 0.000 0.234 114 R C 2.453 178.789 176.300 0.059 0.000 1.134 114 R CA 1.615 57.746 56.100 0.053 0.000 0.952 114 R CB -0.492 29.831 30.300 0.038 0.000 0.850 114 R HN 0.376 nan 8.270 nan 0.000 0.433 115 R N 0.760 121.289 120.500 0.049 0.000 2.081 115 R HA -0.105 4.236 4.340 0.001 0.000 0.235 115 R C 2.135 178.467 176.300 0.053 0.000 1.131 115 R CA 1.545 57.670 56.100 0.041 0.000 0.960 115 R CB -0.222 30.097 30.300 0.032 0.000 0.856 115 R HN 0.219 nan 8.270 nan 0.000 0.436 116 A N 1.110 123.978 122.820 0.080 0.000 1.972 116 A HA -0.141 4.180 4.320 0.001 0.000 0.219 116 A C 1.926 179.629 177.584 0.199 0.000 1.169 116 A CA 1.374 53.481 52.037 0.117 0.000 0.635 116 A CB -0.239 18.865 19.000 0.173 0.000 0.810 116 A HN 0.332 nan 8.150 nan 0.000 0.446 117 K N -0.638 119.899 120.400 0.228 0.000 2.217 117 K HA -0.129 4.192 4.320 0.001 0.000 0.202 117 K C 1.646 178.350 176.600 0.174 0.000 1.051 117 K CA 1.208 57.681 56.287 0.309 0.000 0.952 117 K CB -0.092 32.529 32.500 0.203 0.000 0.736 117 K HN 0.550 nan 8.250 nan 0.000 0.453 118 D N 1.307 121.762 120.400 0.092 0.000 2.084 118 D HA -0.089 4.552 4.640 0.001 0.000 0.199 118 D C 1.748 178.048 176.300 -0.000 0.000 0.981 118 D CA 1.092 55.119 54.000 0.044 0.000 0.841 118 D CB -0.091 40.730 40.800 0.034 0.000 0.997 118 D HN 0.014 nan 8.370 nan 0.000 0.454 119 I N 0.451 121.009 120.570 -0.021 0.000 2.185 119 I HA -0.255 3.915 4.170 0.001 0.000 0.246 119 I C 1.338 177.374 176.117 -0.135 0.000 1.088 119 I CA 1.122 62.383 61.300 -0.066 0.000 1.347 119 I CB -0.309 37.653 38.000 -0.063 0.000 1.041 119 I HN 0.120 nan 8.210 nan 0.000 0.415 120 N N 0.165 118.725 118.700 -0.233 0.000 2.235 120 N HA -0.017 4.724 4.740 0.001 0.000 0.209 120 N C 1.442 176.672 175.510 -0.466 0.000 1.122 120 N CA 0.018 52.776 53.050 -0.487 0.000 0.845 120 N CB 0.301 38.204 38.487 -0.973 0.000 1.004 120 N HN 0.436 nan 8.380 nan 0.000 0.499 121 Q N 1.311 121.018 119.800 -0.156 0.000 2.173 121 Q HA -0.211 4.129 4.340 0.001 0.000 0.208 121 Q C 1.585 177.599 176.000 0.025 0.000 0.989 121 Q CA 1.462 57.272 55.803 0.011 0.000 0.872 121 Q CB 0.152 28.912 28.738 0.037 0.000 0.909 121 Q HN 0.499 nan 8.270 nan 0.000 0.420 122 E N -0.748 119.440 120.200 -0.019 0.000 2.031 122 E HA -0.167 4.184 4.350 0.001 0.000 0.193 122 E C 2.034 178.677 176.600 0.073 0.000 0.994 122 E CA 1.476 57.889 56.400 0.022 0.000 0.800 122 E CB 0.134 29.831 29.700 -0.005 0.000 0.752 122 E HN 0.181 nan 8.360 nan 0.000 0.447 123 V N 0.567 120.491 119.914 0.017 0.000 2.295 123 V HA -0.251 3.870 4.120 0.001 0.000 0.246 123 V C 2.221 178.486 176.094 0.284 0.000 1.049 123 V CA 1.776 64.143 62.300 0.111 0.000 1.024 123 V CB -0.739 31.075 31.823 -0.015 0.000 0.648 123 V HN 0.349 nan 8.190 nan 0.000 0.447 124 Y N 0.555 120.961 120.300 0.177 0.000 2.274 124 Y HA -0.190 4.360 4.550 0.001 0.000 0.290 124 Y C 2.412 178.378 175.900 0.111 0.000 1.145 124 Y CA 1.348 59.576 58.100 0.212 0.000 1.203 124 Y CB -1.255 37.325 38.460 0.199 0.000 0.984 124 Y HN 0.343 nan 8.280 nan 0.000 0.533 125 N N -0.477 118.360 118.700 0.228 0.000 2.142 125 N HA -0.192 4.549 4.740 0.001 0.000 0.186 125 N C 1.715 177.262 175.510 0.061 0.000 1.023 125 N CA 1.039 54.141 53.050 0.088 0.000 0.852 125 N CB -0.445 38.095 38.487 0.088 0.000 0.998 125 N HN 0.237 nan 8.380 nan 0.000 0.424 126 F N 0.857 120.821 119.950 0.023 0.000 2.113 126 F HA -0.011 4.516 4.527 0.001 0.000 0.297 126 F C 1.672 177.479 175.800 0.011 0.000 1.103 126 F CA 1.158 59.171 58.000 0.022 0.000 1.248 126 F CB -0.327 38.703 39.000 0.051 0.000 0.999 126 F HN 0.008 nan 8.300 nan 0.000 0.475 127 L N 0.203 121.407 121.223 -0.031 0.000 2.083 127 L HA -0.175 4.165 4.340 0.001 0.000 0.209 127 L C 2.843 179.486 176.870 -0.379 0.000 1.083 127 L CA 1.135 55.906 54.840 -0.115 0.000 0.752 127 L CB -1.205 41.053 42.059 0.332 0.000 0.899 127 L HN 0.307 nan 8.230 nan 0.000 0.433 128 A N -0.486 121.922 122.820 -0.685 0.000 1.933 128 A HA -0.177 4.144 4.320 0.001 0.000 0.218 128 A C 2.314 179.556 177.584 -0.569 0.000 1.175 128 A CA 2.262 53.637 52.037 -1.104 0.000 0.628 128 A CB -0.719 17.671 19.000 -1.017 0.000 0.814 128 A HN 0.399 nan 8.150 nan 0.000 0.444 129 T N -0.250 114.069 114.554 -0.391 0.000 2.978 129 T HA 0.193 4.544 4.350 0.001 0.000 0.262 129 T C 2.160 176.690 174.700 -0.283 0.000 1.063 129 T CA 1.024 62.951 62.100 -0.287 0.000 1.140 129 T CB -0.201 68.548 68.868 -0.199 0.000 0.886 129 T HN 0.541 nan 8.240 nan 0.000 0.470 130 A N 1.525 124.132 122.820 -0.354 0.000 1.929 130 A HA 0.260 4.580 4.320 0.001 0.000 0.216 130 A C 2.501 180.046 177.584 -0.066 0.000 1.176 130 A CA 1.551 53.468 52.037 -0.200 0.000 0.628 130 A CB -1.295 17.425 19.000 -0.466 0.000 0.816 130 A HN 0.469 nan 8.150 nan 0.000 0.444 131 G N -0.073 108.616 108.800 -0.185 0.000 2.552 131 G HA2 -0.061 3.899 3.960 0.001 0.000 0.216 131 G HA3 -0.061 3.899 3.960 0.001 0.000 0.216 131 G C 1.835 176.628 174.900 -0.177 0.000 1.240 131 G CA 1.820 46.828 45.100 -0.154 0.000 0.796 131 G HN 0.855 nan 8.290 nan 0.000 0.568 132 A N 0.545 123.221 122.820 -0.240 0.000 1.927 132 A HA -0.167 4.153 4.320 0.001 0.000 0.220 132 A C 2.251 179.705 177.584 -0.218 0.000 1.185 132 A CA 2.482 54.388 52.037 -0.219 0.000 0.639 132 A CB -0.493 18.375 19.000 -0.219 0.000 0.820 132 A HN 0.465 nan 8.150 nan 0.000 0.451 133 K N -2.069 118.163 120.400 -0.279 0.000 2.062 133 K HA -0.122 4.198 4.320 0.001 0.000 0.205 133 K C 1.434 177.722 176.600 -0.521 0.000 1.051 133 K CA 1.569 57.594 56.287 -0.436 0.000 0.941 133 K CB -0.206 31.925 32.500 -0.615 0.000 0.719 133 K HN 0.557 nan 8.250 nan 0.000 0.440 134 Y N -0.650 119.599 120.300 -0.084 0.000 2.462 134 Y HA 0.256 4.807 4.550 0.001 0.000 0.261 134 Y C 0.889 176.728 175.900 -0.100 0.000 1.146 134 Y CA 0.367 58.431 58.100 -0.060 0.000 1.283 134 Y CB 1.167 39.560 38.460 -0.111 0.000 1.090 134 Y HN 0.295 nan 8.280 nan 0.000 0.526 135 G N 0.731 109.513 108.800 -0.029 0.000 2.356 135 G HA2 -0.144 3.817 3.960 0.001 0.000 0.233 135 G HA3 -0.144 3.817 3.960 0.001 0.000 0.233 135 G C -0.904 173.946 174.900 -0.084 0.000 1.105 135 G CA -0.140 44.917 45.100 -0.071 0.000 0.861 135 G HN 0.078 nan 8.290 nan 0.000 0.493 136 V N 0.235 120.091 119.914 -0.096 0.000 2.448 136 V HA 0.814 4.934 4.120 0.001 0.000 0.295 136 V C 1.152 177.191 176.094 -0.092 0.000 1.025 136 V CA -0.194 62.056 62.300 -0.083 0.000 0.859 136 V CB 1.777 33.553 31.823 -0.079 0.000 0.988 136 V HN 0.930 nan 8.190 nan 0.000 0.431 137 G N 2.821 111.586 108.800 -0.058 0.000 2.491 137 G HA2 0.408 4.369 3.960 0.001 0.000 0.242 137 G HA3 0.408 4.369 3.960 0.001 0.000 0.242 137 G C -1.114 173.769 174.900 -0.028 0.000 1.266 137 G CA 0.066 45.129 45.100 -0.062 0.000 0.844 137 G HN 0.595 nan 8.290 nan 0.000 0.571 138 F N 1.767 121.451 119.950 -0.443 0.000 2.536 138 F HA 0.582 5.109 4.527 0.001 0.000 0.322 138 F C -1.351 174.227 175.800 -0.370 0.000 1.144 138 F CA -1.734 56.077 58.000 -0.314 0.000 0.924 138 F CB 1.300 40.126 39.000 -0.290 0.000 1.181 138 F HN 0.452 nan 8.300 nan 0.000 0.438 139 W N 6.962 127.845 121.300 -0.697 0.000 2.335 139 W HA 0.571 5.232 4.660 0.001 0.000 0.307 139 W C 0.203 176.246 176.519 -0.794 0.000 1.117 139 W CA -0.520 56.508 57.345 -0.528 0.000 1.228 139 W CB 0.930 30.147 29.460 -0.405 0.000 1.240 139 W HN 0.383 nan 8.180 nan 0.000 0.468 140 R N 4.112 124.386 120.500 -0.376 0.000 2.707 140 R HA 0.221 4.561 4.340 0.001 0.000 0.270 140 R C -1.993 174.139 176.300 -0.280 0.000 1.083 140 R CA -1.590 54.287 56.100 -0.372 0.000 1.182 140 R CB -0.268 29.969 30.300 -0.106 0.000 1.084 140 R HN 0.130 nan 8.270 nan 0.000 0.528 141 P HA -0.065 nan 4.420 nan 0.000 0.264 141 P C 0.443 177.670 177.300 -0.122 0.000 1.193 141 P CA 0.775 63.702 63.100 -0.288 0.000 0.763 141 P CB 0.722 32.141 31.700 -0.468 0.000 0.810 142 G N 2.571 111.332 108.800 -0.066 0.000 2.259 142 G HA2 -0.317 3.644 3.960 0.001 0.000 0.217 142 G HA3 -0.317 3.644 3.960 0.001 0.000 0.217 142 G C 1.321 176.221 174.900 0.001 0.000 1.001 142 G CA 0.485 45.572 45.100 -0.022 0.000 0.627 142 G HN 0.554 nan 8.290 nan 0.000 0.501 143 S N 0.153 115.864 115.700 0.018 0.000 2.359 143 S HA 0.414 4.885 4.470 0.001 0.000 0.224 143 S C 1.668 176.277 174.600 0.014 0.000 1.035 143 S CA 1.845 60.095 58.200 0.083 0.000 1.018 143 S CB -0.080 63.250 63.200 0.216 0.000 0.876 143 S HN 2.555 nan 8.310 nan 0.000 0.448 144 G N 0.002 108.785 108.800 -0.029 0.000 2.361 144 G HA2 0.271 4.231 3.960 0.001 0.000 0.305 144 G HA3 0.271 4.231 3.960 0.001 0.000 0.305 144 G C -1.163 173.676 174.900 -0.100 0.000 1.367 144 G CA -0.808 44.248 45.100 -0.072 0.000 0.951 144 G HN 0.360 nan 8.290 nan 0.000 0.615 145 I N 1.710 122.203 120.570 -0.129 0.000 2.533 145 I HA 0.115 4.286 4.170 0.001 0.000 0.284 145 I C 2.226 178.177 176.117 -0.276 0.000 1.109 145 I CA -0.172 61.022 61.300 -0.176 0.000 1.412 145 I CB 1.080 38.979 38.000 -0.168 0.000 1.396 145 I HN 0.663 nan 8.210 nan 0.000 0.543 146 I N 5.913 126.244 120.570 -0.398 0.000 2.181 146 I HA -0.392 3.778 4.170 0.001 0.000 0.247 146 I C 2.163 177.905 176.117 -0.624 0.000 1.081 146 I CA 2.000 62.884 61.300 -0.694 0.000 1.340 146 I CB -0.118 37.428 38.000 -0.757 0.000 1.036 146 I HN 0.684 nan 8.210 nan 0.000 0.417 147 H N -0.251 118.686 119.070 -0.223 0.000 2.470 147 H HA -0.081 4.475 4.556 0.001 0.000 0.289 147 H C 2.108 177.353 175.328 -0.140 0.000 1.033 147 H CA 1.260 57.209 56.048 -0.164 0.000 1.331 147 H CB -0.295 29.407 29.762 -0.100 0.000 1.414 147 H HN 0.447 nan 8.280 nan 0.000 0.545 148 Q N 0.514 120.268 119.800 -0.076 0.000 2.046 148 Q HA -0.050 4.290 4.340 0.001 0.000 0.200 148 Q C 2.239 178.166 176.000 -0.122 0.000 0.975 148 Q CA 0.711 56.470 55.803 -0.074 0.000 0.836 148 Q CB -0.117 28.572 28.738 -0.081 0.000 0.896 148 Q HN 0.228 nan 8.270 nan 0.000 0.428 149 I N 0.363 120.803 120.570 -0.217 0.000 2.264 149 I HA -0.272 3.898 4.170 0.001 0.000 0.248 149 I C 2.127 178.159 176.117 -0.142 0.000 1.111 149 I CA 1.383 62.500 61.300 -0.305 0.000 1.382 149 I CB -0.960 36.736 38.000 -0.506 0.000 1.060 149 I HN 0.310 nan 8.210 nan 0.000 0.418 150 I N -0.011 120.515 120.570 -0.073 0.000 2.202 150 I HA -0.293 3.878 4.170 0.001 0.000 0.242 150 I C 2.525 178.697 176.117 0.092 0.000 1.091 150 I CA 1.056 62.422 61.300 0.110 0.000 1.368 150 I CB -0.233 37.773 38.000 0.011 0.000 1.058 150 I HN 0.142 nan 8.210 nan 0.000 0.410 151 L N 0.589 121.835 121.223 0.038 0.000 2.201 151 L HA -0.178 4.163 4.340 0.001 0.000 0.212 151 L C 2.285 179.249 176.870 0.156 0.000 1.105 151 L CA 1.734 56.612 54.840 0.063 0.000 0.775 151 L CB -0.327 41.727 42.059 -0.008 0.000 0.913 151 L HN 0.179 nan 8.230 nan 0.000 0.440 152 E N -1.016 119.221 120.200 0.061 0.000 2.216 152 E HA -0.069 4.281 4.350 0.001 0.000 0.192 152 E C 1.148 177.679 176.600 -0.115 0.000 0.988 152 E CA 0.941 57.330 56.400 -0.019 0.000 0.834 152 E CB 0.130 29.742 29.700 -0.146 0.000 0.772 152 E HN 0.629 nan 8.360 nan 0.000 0.479 153 N N -1.360 117.249 118.700 -0.152 0.000 2.272 153 N HA 0.041 4.782 4.740 0.001 0.000 0.228 153 N C 0.610 175.847 175.510 -0.455 0.000 1.206 153 N CA 0.292 53.115 53.050 -0.377 0.000 0.855 153 N CB 0.581 38.750 38.487 -0.530 0.000 1.248 153 N HN 0.109 nan 8.380 nan 0.000 0.476 154 Y N 1.039 121.380 120.300 0.068 0.000 2.430 154 Y HA 0.472 5.023 4.550 0.001 0.000 0.254 154 Y C 0.834 176.788 175.900 0.089 0.000 1.088 154 Y CA -0.529 57.632 58.100 0.102 0.000 1.267 154 Y CB 0.523 39.032 38.460 0.082 0.000 1.204 154 Y HN -0.105 nan 8.280 nan 0.000 0.515 155 A N 0.995 123.922 122.820 0.178 0.000 2.301 155 A HA 0.617 4.937 4.320 0.001 0.000 0.298 155 A C -1.086 176.576 177.584 0.131 0.000 1.185 155 A CA -0.276 51.792 52.037 0.053 0.000 0.830 155 A CB -0.518 18.502 19.000 0.034 0.000 1.112 155 A HN 0.347 nan 8.150 nan 0.000 0.508 156 Y N -0.232 120.108 120.300 0.068 0.000 2.588 156 Y HA 0.685 5.235 4.550 0.001 0.000 0.343 156 Y C -3.130 172.815 175.900 0.075 0.000 1.065 156 Y CA -3.577 54.558 58.100 0.060 0.000 1.038 156 Y CB 0.248 38.731 38.460 0.039 0.000 1.297 156 Y HN 0.428 nan 8.280 nan 0.000 0.467 157 P HA 0.025 nan 4.420 nan 0.000 0.257 157 P C 0.871 178.343 177.300 0.287 0.000 1.144 157 P CA 3.149 66.341 63.100 0.152 0.000 0.761 157 P CB 0.057 31.719 31.700 -0.063 0.000 0.734 158 G N 1.369 110.274 108.800 0.175 0.000 2.176 158 G HA2 -0.245 3.715 3.960 0.001 0.000 0.253 158 G HA3 -0.245 3.715 3.960 0.001 0.000 0.253 158 G C 0.245 175.294 174.900 0.248 0.000 0.979 158 G CA -0.064 45.186 45.100 0.251 0.000 0.641 158 G HN 0.691 nan 8.290 nan 0.000 0.530 159 V N 0.742 120.601 119.914 -0.092 0.000 2.775 159 V HA 0.676 4.796 4.120 0.001 0.000 0.299 159 V C 0.330 176.300 176.094 -0.206 0.000 1.062 159 V CA -0.093 62.029 62.300 -0.296 0.000 1.063 159 V CB 1.510 32.795 31.823 -0.898 0.000 0.994 159 V HN 0.772 nan 8.190 nan 0.000 0.483 160 L N 7.613 128.663 121.223 -0.289 0.000 2.318 160 L HA 0.603 4.943 4.340 0.001 0.000 0.277 160 L C -0.907 175.826 176.870 -0.228 0.000 1.008 160 L CA 0.164 54.781 54.840 -0.371 0.000 0.846 160 L CB 1.094 42.691 42.059 -0.771 0.000 1.220 160 L HN 0.693 nan 8.230 nan 0.000 0.423 161 L N 6.404 127.512 121.223 -0.192 0.000 2.386 161 L HA 0.720 5.061 4.340 0.001 0.000 0.271 161 L C -0.874 175.873 176.870 -0.206 0.000 0.993 161 L CA -0.721 54.014 54.840 -0.176 0.000 0.819 161 L CB 1.791 43.761 42.059 -0.147 0.000 1.294 161 L HN 0.752 nan 8.230 nan 0.000 0.414 162 I N 1.166 121.577 120.570 -0.264 0.000 2.693 162 I HA 0.987 5.158 4.170 0.001 0.000 0.303 162 I C -0.237 175.753 176.117 -0.211 0.000 1.025 162 I CA -0.571 60.536 61.300 -0.320 0.000 1.086 162 I CB 2.070 39.704 38.000 -0.610 0.000 1.268 162 I HN 0.602 nan 8.210 nan 0.000 0.440 163 G N 1.345 110.055 108.800 -0.150 0.000 2.746 163 G HA2 0.471 4.431 3.960 0.001 0.000 0.297 163 G HA3 0.471 4.431 3.960 0.001 0.000 0.297 163 G C -0.536 174.334 174.900 -0.050 0.000 1.426 163 G CA -0.543 44.503 45.100 -0.089 0.000 0.989 163 G HN 0.817 nan 8.290 nan 0.000 0.520 164 T N -1.102 113.429 114.554 -0.039 0.000 4.475 164 T HA 0.460 4.810 4.350 0.001 0.000 0.254 164 T C -0.353 174.354 174.700 0.011 0.000 1.160 164 T CA -0.169 61.925 62.100 -0.011 0.000 1.091 164 T CB -0.252 68.609 68.868 -0.010 0.000 1.377 164 T HN 0.581 nan 8.240 nan 0.000 1.057 165 D N 0.386 120.810 120.400 0.041 0.000 2.687 165 D HA 0.202 4.843 4.640 0.001 0.000 0.213 165 D C 0.940 177.274 176.300 0.057 0.000 1.218 165 D CA -0.106 53.946 54.000 0.087 0.000 0.768 165 D CB 0.967 41.876 40.800 0.181 0.000 1.855 165 D HN 0.150 nan 8.370 nan 0.000 0.508 166 S N 2.025 117.725 115.700 -0.000 0.000 2.447 166 S HA -0.162 4.309 4.470 0.001 0.000 0.233 166 S C 1.058 175.502 174.600 -0.260 0.000 1.006 166 S CA 0.952 59.082 58.200 -0.117 0.000 0.957 166 S CB -0.339 62.767 63.200 -0.157 0.000 0.773 166 S HN 0.637 nan 8.310 nan 0.000 0.507 167 H N 0.969 120.013 119.070 -0.044 0.000 2.555 167 H HA 0.278 4.835 4.556 0.001 0.000 0.283 167 H C 1.474 176.391 175.328 -0.684 0.000 1.037 167 H CA 0.581 56.474 56.048 -0.259 0.000 1.169 167 H CB -0.173 29.479 29.762 -0.183 0.000 1.375 167 H HN 0.361 nan 8.280 nan 0.000 0.582 168 T N 0.895 115.250 114.554 -0.332 0.000 2.849 168 T HA -0.107 4.243 4.350 0.001 0.000 0.270 168 T C -0.650 173.930 174.700 -0.201 0.000 1.066 168 T CA 0.708 62.652 62.100 -0.260 0.000 1.130 168 T CB -0.809 68.021 68.868 -0.063 0.000 0.864 168 T HN 0.360 nan 8.240 nan 0.000 0.481 169 P HA -0.126 nan 4.420 nan 0.000 0.221 169 P C 1.138 178.399 177.300 -0.065 0.000 1.141 169 P CA 0.878 63.938 63.100 -0.067 0.000 0.794 169 P CB -0.253 31.431 31.700 -0.027 0.000 0.764 170 N N -0.421 118.195 118.700 -0.140 0.000 2.182 170 N HA -0.173 4.567 4.740 0.001 0.000 0.192 170 N C 1.778 177.246 175.510 -0.069 0.000 1.007 170 N CA 1.709 54.692 53.050 -0.111 0.000 0.873 170 N CB -0.930 37.457 38.487 -0.168 0.000 0.998 170 N HN 0.071 nan 8.380 nan 0.000 0.436 171 G N -1.126 107.637 108.800 -0.062 0.000 2.509 171 G HA2 -0.117 3.844 3.960 0.001 0.000 0.218 171 G HA3 -0.117 3.844 3.960 0.001 0.000 0.218 171 G C 1.386 176.277 174.900 -0.016 0.000 1.124 171 G CA 0.579 45.654 45.100 -0.041 0.000 0.776 171 G HN 0.435 nan 8.290 nan 0.000 0.547 172 G N 0.823 109.633 108.800 0.018 0.000 2.470 172 G HA2 0.045 4.005 3.960 0.001 0.000 0.220 172 G HA3 0.045 4.005 3.960 0.001 0.000 0.220 172 G C 1.628 176.604 174.900 0.127 0.000 1.121 172 G CA 1.048 46.204 45.100 0.094 0.000 0.766 172 G HN 0.501 nan 8.290 nan 0.000 0.553 173 G N -0.000 108.805 108.800 0.009 0.000 2.498 173 G HA2 -0.008 3.953 3.960 0.001 0.000 0.219 173 G HA3 -0.008 3.953 3.960 0.001 0.000 0.219 173 G C 1.087 175.922 174.900 -0.108 0.000 1.119 173 G CA 0.401 45.427 45.100 -0.124 0.000 0.766 173 G HN 0.388 nan 8.290 nan 0.000 0.552 174 L N 0.230 121.434 121.223 -0.032 0.000 3.110 174 L HA 0.463 4.803 4.340 0.001 0.000 0.266 174 L C 1.493 178.416 176.870 0.089 0.000 1.257 174 L CA 0.308 55.161 54.840 0.023 0.000 1.038 174 L CB 0.130 42.194 42.059 0.008 0.000 1.395 174 L HN 0.275 nan 8.230 nan 0.000 0.566 175 G N -0.836 108.036 108.800 0.120 0.000 2.153 175 G HA2 -0.230 3.731 3.960 0.001 0.000 0.252 175 G HA3 -0.230 3.731 3.960 0.001 0.000 0.252 175 G C 0.620 175.574 174.900 0.090 0.000 0.994 175 G CA 0.150 45.338 45.100 0.147 0.000 0.698 175 G HN 0.783 nan 8.290 nan 0.000 0.521 176 G N -1.028 107.793 108.800 0.035 0.000 2.461 176 G HA2 0.619 4.580 3.960 0.001 0.000 0.329 176 G HA3 0.619 4.580 3.960 0.001 0.000 0.329 176 G C -0.139 174.755 174.900 -0.010 0.000 1.170 176 G CA -0.964 44.122 45.100 -0.023 0.000 0.935 176 G HN 0.284 nan 8.290 nan 0.000 0.492 177 I N 0.959 121.508 120.570 -0.036 0.000 2.281 177 I HA 0.209 4.379 4.170 0.001 0.000 0.293 177 I C -0.221 175.863 176.117 -0.055 0.000 1.085 177 I CA -0.774 60.511 61.300 -0.025 0.000 1.257 177 I CB 0.131 38.118 38.000 -0.022 0.000 1.430 177 I HN 0.139 nan 8.210 nan 0.000 0.489 178 C N 7.785 127.061 119.300 -0.039 0.000 2.264 178 C HA 0.590 5.051 4.460 0.001 0.000 0.324 178 C C 0.533 175.500 174.990 -0.037 0.000 1.267 178 C CA -0.730 58.252 59.018 -0.060 0.000 1.618 178 C CB -0.047 27.655 27.740 -0.064 0.000 2.278 178 C HN 0.505 nan 8.230 nan 0.000 0.499 179 I N 2.513 123.058 120.570 -0.043 0.000 2.465 179 I HA 0.459 4.630 4.170 0.001 0.000 0.291 179 I C 0.848 176.955 176.117 -0.016 0.000 1.014 179 I CA -0.060 61.247 61.300 0.011 0.000 1.093 179 I CB 1.643 39.724 38.000 0.134 0.000 1.267 179 I HN 0.798 nan 8.210 nan 0.000 0.431 180 G N 5.445 114.252 108.800 0.012 0.000 2.378 180 G HA2 0.496 4.456 3.960 0.001 0.000 0.255 180 G HA3 0.496 4.456 3.960 0.001 0.000 0.255 180 G C -0.297 174.638 174.900 0.057 0.000 1.270 180 G CA -0.145 44.961 45.100 0.010 0.000 0.876 180 G HN 0.532 nan 8.290 nan 0.000 0.521 181 V N 0.245 120.176 119.914 0.029 0.000 3.167 181 V HA 0.991 5.111 4.120 0.001 0.000 0.310 181 V C 0.487 176.611 176.094 0.050 0.000 1.207 181 V CA -0.639 61.702 62.300 0.069 0.000 1.059 181 V CB 1.461 33.288 31.823 0.006 0.000 1.079 181 V HN 1.020 nan 8.190 nan 0.000 0.446 182 G N -0.263 108.576 108.800 0.066 0.000 2.412 182 G HA2 0.505 4.466 3.960 0.001 0.000 0.318 182 G HA3 0.505 4.466 3.960 0.001 0.000 0.318 182 G C 0.951 175.860 174.900 0.015 0.000 1.146 182 G CA -0.057 45.072 45.100 0.048 0.000 0.882 182 G HN 1.550 nan 8.290 nan 0.000 0.501 183 G N 0.994 109.801 108.800 0.012 0.000 2.597 183 G HA2 -0.181 3.780 3.960 0.001 0.000 0.222 183 G HA3 -0.181 3.780 3.960 0.001 0.000 0.222 183 G C 1.905 176.792 174.900 -0.021 0.000 1.135 183 G CA 1.902 47.000 45.100 -0.004 0.000 0.759 183 G HN 1.072 nan 8.290 nan 0.000 0.595 184 A N -0.004 122.793 122.820 -0.040 0.000 2.066 184 A HA 0.048 4.369 4.320 0.001 0.000 0.218 184 A C 2.085 179.632 177.584 -0.062 0.000 1.157 184 A CA 1.895 53.888 52.037 -0.074 0.000 0.670 184 A CB -0.226 18.689 19.000 -0.140 0.000 0.804 184 A HN 0.291 nan 8.150 nan 0.000 0.453 185 D N 0.118 120.511 120.400 -0.012 0.000 2.123 185 D HA -0.006 4.634 4.640 0.001 0.000 0.200 185 D C 2.280 178.567 176.300 -0.021 0.000 0.976 185 D CA 1.414 55.456 54.000 0.069 0.000 0.831 185 D CB -0.261 40.646 40.800 0.179 0.000 0.974 185 D HN 0.370 nan 8.370 nan 0.000 0.469 186 A N 0.501 123.275 122.820 -0.078 0.000 1.933 186 A HA -0.126 4.195 4.320 0.001 0.000 0.218 186 A C 2.533 180.088 177.584 -0.048 0.000 1.175 186 A CA 1.117 53.087 52.037 -0.112 0.000 0.628 186 A CB -0.753 18.185 19.000 -0.103 0.000 0.814 186 A HN 0.137 nan 8.150 nan 0.000 0.444 187 V N 0.787 120.702 119.914 0.003 0.000 2.282 187 V HA -0.312 3.808 4.120 0.001 0.000 0.249 187 V C 2.248 178.396 176.094 0.090 0.000 1.057 187 V CA 2.472 64.827 62.300 0.092 0.000 1.032 187 V CB -0.880 30.987 31.823 0.073 0.000 0.645 187 V HN 0.517 nan 8.190 nan 0.000 0.447 188 D N -0.186 120.244 120.400 0.050 0.000 2.133 188 D HA -0.158 4.482 4.640 0.001 0.000 0.195 188 D C 2.070 178.426 176.300 0.093 0.000 0.997 188 D CA 1.525 55.572 54.000 0.079 0.000 0.840 188 D CB -0.348 40.528 40.800 0.126 0.000 0.947 188 D HN 0.351 nan 8.370 nan 0.000 0.452 189 V N 0.474 120.420 119.914 0.053 0.000 2.488 189 V HA -0.135 3.986 4.120 0.001 0.000 0.246 189 V C 2.428 178.543 176.094 0.034 0.000 1.046 189 V CA 0.979 63.296 62.300 0.030 0.000 1.053 189 V CB -0.284 31.492 31.823 -0.079 0.000 0.679 189 V HN 0.202 nan 8.190 nan 0.000 0.458 190 M N -0.007 119.609 119.600 0.027 0.000 2.213 190 M HA -0.109 4.371 4.480 0.001 0.000 0.263 190 M C 2.132 178.551 176.300 0.197 0.000 1.062 190 M CA 1.848 57.168 55.300 0.034 0.000 1.105 190 M CB -0.420 32.114 32.600 -0.110 0.000 1.385 190 M HN 0.388 nan 8.290 nan 0.000 0.417 191 A N -0.318 122.640 122.820 0.231 0.000 2.206 191 A HA 0.288 4.608 4.320 0.001 0.000 0.211 191 A C 1.670 179.325 177.584 0.120 0.000 1.158 191 A CA 0.957 53.108 52.037 0.190 0.000 0.761 191 A CB -0.728 18.335 19.000 0.105 0.000 0.801 191 A HN 0.644 nan 8.150 nan 0.000 0.473 192 G N -0.527 108.337 108.800 0.107 0.000 2.136 192 G HA2 -0.232 3.728 3.960 0.001 0.000 0.242 192 G HA3 -0.232 3.728 3.960 0.001 0.000 0.242 192 G C 0.189 175.145 174.900 0.092 0.000 0.989 192 G CA 0.358 45.513 45.100 0.092 0.000 0.682 192 G HN 1.337 nan 8.290 nan 0.000 0.522 193 I N -2.212 118.418 120.570 0.101 0.000 2.793 193 I HA 0.826 4.996 4.170 0.001 0.000 0.313 193 I C -2.166 174.036 176.117 0.141 0.000 0.998 193 I CA -3.205 58.160 61.300 0.108 0.000 1.140 193 I CB 1.131 39.192 38.000 0.101 0.000 1.327 193 I HN -0.128 nan 8.210 nan 0.000 0.491 194 P HA 0.012 nan 4.420 nan 0.000 0.268 194 P C -1.579 175.869 177.300 0.247 0.000 1.205 194 P CA 0.198 63.405 63.100 0.177 0.000 0.771 194 P CB 0.218 31.994 31.700 0.128 0.000 0.858 195 W N 3.818 125.165 121.300 0.077 0.000 2.351 195 W HA 0.260 4.921 4.660 0.001 0.000 0.311 195 W C -0.480 176.094 176.519 0.092 0.000 1.168 195 W CA -0.431 56.962 57.345 0.080 0.000 1.200 195 W CB 0.645 30.144 29.460 0.064 0.000 1.221 195 W HN 0.365 nan 8.180 nan 0.000 0.519 196 E N 5.048 125.006 120.200 -0.403 0.000 2.216 196 E HA 0.437 4.787 4.350 0.001 0.000 0.279 196 E C -1.410 174.739 176.600 -0.752 0.000 0.997 196 E CA -1.081 55.057 56.400 -0.436 0.000 0.817 196 E CB 1.891 31.437 29.700 -0.257 0.000 1.096 196 E HN 0.339 nan 8.360 nan 0.000 0.393 197 L N 2.738 123.656 121.223 -0.508 0.000 2.408 197 L HA 0.338 4.678 4.340 0.001 0.000 0.268 197 L C -0.951 175.886 176.870 -0.054 0.000 0.986 197 L CA -0.909 53.691 54.840 -0.399 0.000 0.820 197 L CB 1.633 43.358 42.059 -0.556 0.000 1.303 197 L HN 0.258 nan 8.230 nan 0.000 0.411 198 K N 3.683 124.077 120.400 -0.011 0.000 2.412 198 K HA 0.160 4.480 4.320 0.001 0.000 0.281 198 K C -0.467 176.051 176.600 -0.137 0.000 1.027 198 K CA 0.083 56.221 56.287 -0.248 0.000 0.989 198 K CB 0.369 32.675 32.500 -0.324 0.000 0.935 198 K HN 0.725 nan 8.250 nan 0.000 0.475 199 C N 8.743 127.966 119.300 -0.128 0.000 2.601 199 C HA 0.186 4.647 4.460 0.001 0.000 0.405 199 C C -1.964 173.025 174.990 -0.002 0.000 1.441 199 C CA -1.523 57.487 59.018 -0.014 0.000 1.555 199 C CB -0.778 26.964 27.740 0.004 0.000 2.450 199 C HN 0.701 nan 8.230 nan 0.000 0.614 200 P HA 0.234 nan 4.420 nan 0.000 0.277 200 P C -0.656 176.659 177.300 0.026 0.000 1.240 200 P CA -0.157 62.953 63.100 0.017 0.000 0.798 200 P CB 0.619 32.330 31.700 0.018 0.000 0.979 201 K N 0.798 121.207 120.400 0.016 0.000 2.118 201 K HA 0.446 4.766 4.320 0.001 0.000 0.240 201 K C -0.158 176.454 176.600 0.021 0.000 1.035 201 K CA -0.693 55.609 56.287 0.025 0.000 0.899 201 K CB 0.202 32.712 32.500 0.016 0.000 1.085 201 K HN 0.238 nan 8.250 nan 0.000 0.498 202 V N 1.669 121.602 119.914 0.032 0.000 2.577 202 V HA 0.404 4.524 4.120 0.001 0.000 0.303 202 V C -0.284 175.807 176.094 -0.005 0.000 1.042 202 V CA -0.736 61.584 62.300 0.033 0.000 0.872 202 V CB 1.769 33.665 31.823 0.120 0.000 0.998 202 V HN 0.509 nan 8.190 nan 0.000 0.423 203 I N 3.745 124.239 120.570 -0.127 0.000 2.355 203 I HA 0.550 4.720 4.170 0.001 0.000 0.288 203 I C 0.828 176.670 176.117 -0.457 0.000 0.999 203 I CA -0.261 60.911 61.300 -0.213 0.000 1.163 203 I CB 1.746 39.637 38.000 -0.182 0.000 1.316 203 I HN 0.746 nan 8.210 nan 0.000 0.454 204 G N 5.767 114.135 108.800 -0.721 0.000 2.356 204 G HA2 0.525 4.485 3.960 0.001 0.000 0.298 204 G HA3 0.525 4.485 3.960 0.001 0.000 0.298 204 G C -0.706 173.864 174.900 -0.549 0.000 1.145 204 G CA -0.240 44.188 45.100 -1.121 0.000 0.850 204 G HN 0.341 nan 8.290 nan 0.000 0.487 205 V N 2.308 121.859 119.914 -0.605 0.000 2.448 205 V HA 0.425 4.545 4.120 0.001 0.000 0.295 205 V C 0.097 175.810 176.094 -0.636 0.000 1.025 205 V CA -0.859 61.123 62.300 -0.530 0.000 0.859 205 V CB 1.730 33.161 31.823 -0.654 0.000 0.988 205 V HN 0.768 nan 8.190 nan 0.000 0.431 206 K N 5.499 125.606 120.400 -0.489 0.000 2.293 206 K HA 0.625 4.945 4.320 0.001 0.000 0.267 206 K C -1.184 175.280 176.600 -0.227 0.000 1.010 206 K CA -0.552 55.403 56.287 -0.553 0.000 0.875 206 K CB 0.938 33.246 32.500 -0.321 0.000 1.106 206 K HN 0.607 nan 8.250 nan 0.000 0.450 207 L N 3.093 124.221 121.223 -0.158 0.000 2.307 207 L HA 0.437 4.777 4.340 0.001 0.000 0.282 207 L C 0.173 177.039 176.870 -0.006 0.000 1.051 207 L CA -0.585 54.240 54.840 -0.025 0.000 0.804 207 L CB 1.814 43.907 42.059 0.057 0.000 1.197 207 L HN 0.657 nan 8.230 nan 0.000 0.431 208 T N 1.003 115.562 114.554 0.009 0.000 2.896 208 T HA 0.733 5.083 4.350 0.001 0.000 0.297 208 T C -0.004 174.711 174.700 0.024 0.000 1.108 208 T CA 0.463 62.573 62.100 0.017 0.000 1.004 208 T CB 1.969 70.842 68.868 0.008 0.000 1.159 208 T HN 1.038 nan 8.240 nan 0.000 0.499 209 G N 2.047 110.863 108.800 0.026 0.000 2.584 209 G HA2 0.063 4.023 3.960 0.001 0.000 0.229 209 G HA3 0.063 4.023 3.960 0.001 0.000 0.229 209 G C -0.323 174.595 174.900 0.030 0.000 1.320 209 G CA -0.011 45.105 45.100 0.026 0.000 0.891 209 G HN 1.786 nan 8.290 nan 0.000 0.573 210 S N -1.420 114.296 115.700 0.027 0.000 2.564 210 S HA 0.744 5.214 4.470 0.001 0.000 0.274 210 S C -0.343 174.271 174.600 0.024 0.000 1.124 210 S CA -0.559 57.657 58.200 0.026 0.000 0.869 210 S CB 1.848 65.062 63.200 0.023 0.000 1.105 210 S HN 1.180 nan 8.310 nan 0.000 0.472 211 L N 2.601 123.836 121.223 0.020 0.000 2.452 211 L HA 0.577 4.918 4.340 0.001 0.000 0.267 211 L C 0.375 177.255 176.870 0.017 0.000 1.188 211 L CA -0.087 54.765 54.840 0.021 0.000 0.821 211 L CB 0.989 43.057 42.059 0.014 0.000 1.102 211 L HN 0.976 nan 8.230 nan 0.000 0.470 212 S N 0.294 116.009 115.700 0.023 0.000 2.546 212 S HA 0.808 5.278 4.470 0.001 0.000 0.272 212 S C -0.025 174.585 174.600 0.016 0.000 1.140 212 S CA -0.260 57.948 58.200 0.012 0.000 0.920 212 S CB 1.814 65.025 63.200 0.018 0.000 1.083 212 S HN 1.222 nan 8.310 nan 0.000 0.476 213 G N 2.282 111.063 108.800 -0.032 0.000 2.536 213 G HA2 -0.329 3.632 3.960 0.001 0.000 0.280 213 G HA3 -0.329 3.632 3.960 0.001 0.000 0.280 213 G C 0.372 175.212 174.900 -0.100 0.000 1.152 213 G CA 0.489 45.539 45.100 -0.084 0.000 0.970 213 G HN 0.874 nan 8.290 nan 0.000 0.549 214 W N 1.524 122.813 121.300 -0.018 0.000 2.402 214 W HA 0.220 4.880 4.660 0.000 0.000 0.286 214 W C 1.991 178.506 176.519 -0.007 0.000 1.221 214 W CA 1.254 58.588 57.345 -0.018 0.000 1.257 214 W CB -0.460 28.981 29.460 -0.030 0.000 1.120 214 W HN 0.485 nan 8.180 nan 0.000 0.551 215 T N 1.287 115.960 114.554 0.198 0.000 2.916 215 T HA 0.242 4.592 4.350 0.001 0.000 0.303 215 T C 0.400 175.147 174.700 0.078 0.000 1.025 215 T CA 0.185 62.363 62.100 0.131 0.000 1.142 215 T CB 0.743 69.673 68.868 0.104 0.000 0.947 215 T HN 0.020 nan 8.240 nan 0.000 0.544 216 S N 2.563 118.304 115.700 0.068 0.000 2.732 216 S HA 0.576 5.047 4.470 0.001 0.000 0.293 216 S C -2.377 172.232 174.600 0.015 0.000 1.159 216 S CA -1.644 56.576 58.200 0.032 0.000 0.847 216 S CB 1.467 64.690 63.200 0.038 0.000 1.169 216 S HN 0.260 nan 8.310 nan 0.000 0.501 217 P HA -0.090 nan 4.420 nan 0.000 0.216 217 P C 1.241 178.528 177.300 -0.021 0.000 1.150 217 P CA 1.311 64.392 63.100 -0.032 0.000 0.843 217 P CB 0.022 31.682 31.700 -0.067 0.000 0.787 218 K N 0.114 120.510 120.400 -0.006 0.000 2.152 218 K HA -0.158 4.163 4.320 0.001 0.000 0.206 218 K C 1.541 178.145 176.600 0.005 0.000 1.048 218 K CA 1.564 57.852 56.287 0.002 0.000 0.933 218 K CB -0.987 31.524 32.500 0.017 0.000 0.721 218 K HN 0.049 nan 8.250 nan 0.000 0.447 219 D N -0.355 120.055 120.400 0.017 0.000 2.178 219 D HA -0.116 4.525 4.640 0.001 0.000 0.202 219 D C 1.813 178.065 176.300 -0.079 0.000 0.974 219 D CA 1.090 55.088 54.000 -0.003 0.000 0.841 219 D CB 0.016 40.853 40.800 0.061 0.000 0.953 219 D HN 0.062 nan 8.370 nan 0.000 0.478 220 V N 1.203 121.097 119.914 -0.034 0.000 2.261 220 V HA -0.216 3.904 4.120 0.001 0.000 0.246 220 V C 2.422 178.506 176.094 -0.018 0.000 1.047 220 V CA 1.119 63.407 62.300 -0.021 0.000 1.015 220 V CB -0.295 31.537 31.823 0.016 0.000 0.642 220 V HN 0.110 nan 8.190 nan 0.000 0.446 221 I N -0.804 119.762 120.570 -0.006 0.000 2.617 221 I HA -0.056 4.114 4.170 0.001 0.000 0.256 221 I C 1.970 178.076 176.117 -0.018 0.000 1.167 221 I CA 1.239 62.549 61.300 0.016 0.000 1.469 221 I CB -0.187 37.829 38.000 0.027 0.000 1.098 221 I HN 0.148 nan 8.210 nan 0.000 0.436 222 L N -0.041 121.151 121.223 -0.050 0.000 2.093 222 L HA -0.191 4.149 4.340 0.001 0.000 0.208 222 L C 2.443 179.224 176.870 -0.148 0.000 1.085 222 L CA 1.413 56.215 54.840 -0.063 0.000 0.755 222 L CB -0.682 41.367 42.059 -0.017 0.000 0.904 222 L HN 0.188 nan 8.230 nan 0.000 0.435 223 K N 0.209 120.437 120.400 -0.286 0.000 2.062 223 K HA -0.094 4.227 4.320 0.001 0.000 0.205 223 K C 1.893 178.429 176.600 -0.107 0.000 1.051 223 K CA 1.054 57.166 56.287 -0.293 0.000 0.941 223 K CB -0.193 32.082 32.500 -0.374 0.000 0.719 223 K HN -0.027 nan 8.250 nan 0.000 0.440 224 V N 1.335 121.214 119.914 -0.058 0.000 2.287 224 V HA -0.293 3.828 4.120 0.001 0.000 0.248 224 V C 2.385 178.472 176.094 -0.011 0.000 1.053 224 V CA 2.076 64.365 62.300 -0.018 0.000 1.027 224 V CB -1.002 30.838 31.823 0.028 0.000 0.646 224 V HN 0.526 nan 8.190 nan 0.000 0.447 225 A N 0.565 123.382 122.820 -0.005 0.000 1.873 225 A HA -0.177 4.143 4.320 0.001 0.000 0.218 225 A C 2.460 180.049 177.584 0.008 0.000 1.193 225 A CA 2.254 54.295 52.037 0.008 0.000 0.629 225 A CB -1.450 17.556 19.000 0.011 0.000 0.826 225 A HN 0.555 nan 8.150 nan 0.000 0.447 226 G N -0.348 108.452 108.800 -0.000 0.000 2.442 226 G HA2 -0.186 3.774 3.960 0.001 0.000 0.219 226 G HA3 -0.186 3.774 3.960 0.001 0.000 0.219 226 G C 1.516 176.427 174.900 0.017 0.000 1.141 226 G CA 1.188 46.297 45.100 0.015 0.000 0.763 226 G HN 0.505 nan 8.290 nan 0.000 0.554 227 I N -0.453 120.120 120.570 0.005 0.000 2.162 227 I HA -0.045 4.125 4.170 0.001 0.000 0.238 227 I C 2.425 178.544 176.117 0.003 0.000 1.076 227 I CA 0.511 61.814 61.300 0.004 0.000 1.353 227 I CB -0.154 37.841 38.000 -0.009 0.000 1.063 227 I HN 0.071 nan 8.210 nan 0.000 0.408 228 L N 0.436 121.658 121.223 -0.002 0.000 2.313 228 L HA 0.026 4.367 4.340 0.001 0.000 0.214 228 L C 0.966 177.843 176.870 0.012 0.000 1.119 228 L CA 1.318 56.157 54.840 -0.002 0.000 0.809 228 L CB -0.897 41.155 42.059 -0.012 0.000 0.933 228 L HN 0.674 nan 8.230 nan 0.000 0.449 229 T N -5.320 109.246 114.554 0.020 0.000 0.541 229 T HA -0.236 4.114 4.350 0.001 0.000 0.774 229 T C 1.002 175.727 174.700 0.041 0.000 0.992 229 T CA 0.744 62.863 62.100 0.032 0.000 4.077 229 T CB -1.301 67.586 68.868 0.031 0.000 2.303 229 T HN 0.506 nan 8.240 nan 0.000 0.398 230 V N -0.190 119.759 119.914 0.058 0.000 2.982 230 V HA -0.022 4.099 4.120 0.001 0.000 0.265 230 V C 1.957 178.090 176.094 0.065 0.000 1.122 230 V CA 2.032 64.378 62.300 0.077 0.000 1.143 230 V CB -1.430 30.459 31.823 0.110 0.000 0.726 230 V HN 1.111 nan 8.190 nan 0.000 0.507 231 K N 0.164 120.592 120.400 0.047 0.000 2.447 231 K HA 0.453 4.774 4.320 0.001 0.000 0.205 231 K C 1.704 178.323 176.600 0.031 0.000 1.059 231 K CA 0.509 56.821 56.287 0.042 0.000 1.065 231 K CB 0.573 33.095 32.500 0.036 0.000 0.885 231 K HN 0.281 nan 8.250 nan 0.000 0.545 232 G N 1.280 110.095 108.800 0.024 0.000 2.484 232 G HA2 -0.111 3.849 3.960 0.001 0.000 0.218 232 G HA3 -0.111 3.849 3.960 0.001 0.000 0.218 232 G C 1.183 176.086 174.900 0.006 0.000 1.130 232 G CA 0.605 45.712 45.100 0.012 0.000 0.784 232 G HN 0.418 nan 8.290 nan 0.000 0.543 233 G N -0.143 108.664 108.800 0.012 0.000 3.088 233 G HA2 0.218 4.179 3.960 0.001 0.000 0.217 233 G HA3 0.218 4.179 3.960 0.001 0.000 0.217 233 G C 0.634 175.543 174.900 0.015 0.000 1.159 233 G CA 0.093 45.195 45.100 0.004 0.000 0.760 233 G HN 0.261 nan 8.290 nan 0.000 0.550 234 T N 1.016 115.587 114.554 0.028 0.000 2.891 234 T HA 0.344 4.694 4.350 0.001 0.000 0.296 234 T C 1.635 176.352 174.700 0.029 0.000 1.025 234 T CA 1.122 63.245 62.100 0.039 0.000 1.149 234 T CB 0.701 69.598 68.868 0.049 0.000 1.007 234 T HN 0.958 nan 8.240 nan 0.000 0.528 235 G N 1.605 110.424 108.800 0.031 0.000 2.184 235 G HA2 -0.061 3.900 3.960 0.001 0.000 0.264 235 G HA3 -0.061 3.900 3.960 0.001 0.000 0.264 235 G C 0.160 175.065 174.900 0.009 0.000 0.975 235 G CA 0.074 45.184 45.100 0.016 0.000 0.642 235 G HN 1.268 nan 8.290 nan 0.000 0.536 236 A N -0.437 122.387 122.820 0.007 0.000 2.355 236 A HA 0.839 5.159 4.320 0.001 0.000 0.324 236 A C -0.003 177.577 177.584 -0.006 0.000 1.117 236 A CA -0.698 51.337 52.037 -0.004 0.000 0.785 236 A CB 1.155 20.142 19.000 -0.020 0.000 1.254 236 A HN 0.617 nan 8.150 nan 0.000 0.453 237 I N 1.767 122.329 120.570 -0.012 0.000 2.396 237 I HA 0.248 4.418 4.170 0.001 0.000 0.292 237 I C -0.440 175.635 176.117 -0.071 0.000 0.999 237 I CA -0.565 60.724 61.300 -0.020 0.000 1.310 237 I CB 1.657 39.651 38.000 -0.009 0.000 1.404 237 I HN 0.292 nan 8.210 nan 0.000 0.496 238 V N 6.106 125.964 119.914 -0.095 0.000 2.406 238 V HA 0.179 4.299 4.120 0.001 0.000 0.272 238 V C 0.150 176.070 176.094 -0.290 0.000 1.043 238 V CA -0.375 61.784 62.300 -0.235 0.000 0.915 238 V CB 1.143 32.836 31.823 -0.217 0.000 0.988 238 V HN 0.705 nan 8.190 nan 0.000 0.466 239 E N 4.136 124.082 120.200 -0.422 0.000 2.141 239 E HA 0.391 4.741 4.350 0.001 0.000 0.259 239 E C -1.432 174.885 176.600 -0.472 0.000 0.883 239 E CA -0.581 55.632 56.400 -0.311 0.000 0.744 239 E CB 0.780 30.387 29.700 -0.156 0.000 1.150 239 E HN 0.631 nan 8.360 nan 0.000 0.420 240 Y N 3.795 123.826 120.300 -0.449 0.000 2.304 240 Y HA 0.267 4.817 4.550 0.001 0.000 0.327 240 Y C 0.795 176.545 175.900 -0.251 0.000 1.209 240 Y CA 0.202 57.961 58.100 -0.569 0.000 1.299 240 Y CB 0.796 38.463 38.460 -1.321 0.000 1.249 240 Y HN 0.505 nan 8.280 nan 0.000 0.519 241 H N -0.817 118.201 119.070 -0.087 0.000 2.950 241 H HA 0.653 5.209 4.556 0.001 0.000 0.307 241 H C -0.600 174.756 175.328 0.047 0.000 1.403 241 H CA -1.013 55.046 56.048 0.018 0.000 1.145 241 H CB 1.349 31.132 29.762 0.035 0.000 1.844 241 H HN 0.982 nan 8.280 nan 0.000 0.515 242 G N 0.608 109.472 108.800 0.107 0.000 2.362 242 G HA2 -0.005 3.956 3.960 0.001 0.000 0.656 242 G HA3 -0.005 3.956 3.960 0.001 0.000 0.656 242 G C -2.374 172.576 174.900 0.084 0.000 1.376 242 G CA -0.323 44.808 45.100 0.052 0.000 0.971 242 G HN 0.487 nan 8.290 nan 0.000 0.636 243 P HA -0.095 nan 4.420 nan 0.000 0.218 243 P C 1.876 179.216 177.300 0.067 0.000 1.146 243 P CA 1.954 65.091 63.100 0.063 0.000 0.813 243 P CB -0.166 31.561 31.700 0.046 0.000 0.778 244 G N 0.138 108.975 108.800 0.062 0.000 2.471 244 G HA2 -0.152 3.808 3.960 0.001 0.000 0.219 244 G HA3 -0.152 3.808 3.960 0.001 0.000 0.219 244 G C 1.678 176.636 174.900 0.097 0.000 1.125 244 G CA 0.284 45.424 45.100 0.067 0.000 0.775 244 G HN 0.174 nan 8.290 nan 0.000 0.548 245 V N 1.355 121.355 119.914 0.142 0.000 2.324 245 V HA -0.215 3.906 4.120 0.001 0.000 0.250 245 V C 2.435 178.601 176.094 0.121 0.000 1.060 245 V CA 2.163 64.585 62.300 0.203 0.000 1.042 245 V CB -0.337 31.663 31.823 0.295 0.000 0.650 245 V HN 0.408 nan 8.190 nan 0.000 0.450 246 D N -0.323 120.160 120.400 0.138 0.000 2.263 246 D HA -0.138 4.502 4.640 0.001 0.000 0.208 246 D C 2.270 178.646 176.300 0.127 0.000 0.971 246 D CA 1.573 55.689 54.000 0.193 0.000 0.867 246 D CB 0.032 40.958 40.800 0.211 0.000 0.929 246 D HN 0.545 nan 8.370 nan 0.000 0.492 247 S N -0.014 115.729 115.700 0.072 0.000 2.481 247 S HA -0.052 4.419 4.470 0.001 0.000 0.231 247 S C 0.959 175.553 174.600 -0.009 0.000 0.996 247 S CA 0.040 58.261 58.200 0.036 0.000 0.942 247 S CB 0.028 63.248 63.200 0.034 0.000 0.768 247 S HN 0.091 nan 8.310 nan 0.000 0.520 248 I N 2.599 123.142 120.570 -0.045 0.000 2.428 248 I HA 0.266 4.437 4.170 0.001 0.000 0.296 248 I C 0.667 176.685 176.117 -0.165 0.000 0.985 248 I CA -0.729 60.504 61.300 -0.113 0.000 1.260 248 I CB 1.832 39.734 38.000 -0.164 0.000 1.389 248 I HN 0.236 nan 8.210 nan 0.000 0.484 249 S N 3.363 118.974 115.700 -0.148 0.000 2.600 249 S HA -0.011 4.460 4.470 0.001 0.000 0.265 249 S C 1.088 175.560 174.600 -0.213 0.000 1.325 249 S CA -0.756 57.361 58.200 -0.138 0.000 1.002 249 S CB 1.174 64.330 63.200 -0.072 0.000 0.921 249 S HN 0.893 nan 8.310 nan 0.000 0.554 250 C N 1.694 120.878 119.300 -0.194 0.000 2.435 250 C HA -0.040 4.420 4.460 0.001 0.000 0.279 250 C C 2.821 177.592 174.990 -0.365 0.000 1.321 250 C CA 1.400 60.235 59.018 -0.305 0.000 1.752 250 C CB -2.145 25.401 27.740 -0.322 0.000 1.959 250 C HN 1.043 nan 8.230 nan 0.000 0.500 251 T N -2.093 112.305 114.554 -0.259 0.000 2.985 251 T HA 0.112 4.462 4.350 0.001 0.000 0.266 251 T C 1.929 176.531 174.700 -0.163 0.000 1.076 251 T CA 1.413 63.395 62.100 -0.196 0.000 1.135 251 T CB -0.693 68.146 68.868 -0.048 0.000 0.890 251 T HN 0.548 nan 8.240 nan 0.000 0.480 252 G N 1.023 109.722 108.800 -0.169 0.000 2.448 252 G HA2 0.035 3.995 3.960 0.001 0.000 0.218 252 G HA3 0.035 3.995 3.960 0.001 0.000 0.218 252 G C 1.551 176.296 174.900 -0.258 0.000 1.135 252 G CA 0.309 45.309 45.100 -0.166 0.000 0.784 252 G HN 0.454 nan 8.290 nan 0.000 0.543 253 M N 0.678 120.032 119.600 -0.411 0.000 2.200 253 M HA 0.113 4.594 4.480 0.001 0.000 0.265 253 M C 3.032 179.116 176.300 -0.361 0.000 1.066 253 M CA 1.055 55.938 55.300 -0.696 0.000 1.127 253 M CB -0.104 31.811 32.600 -1.141 0.000 1.379 253 M HN 0.287 nan 8.290 nan 0.000 0.420 254 A N 0.200 122.860 122.820 -0.267 0.000 1.908 254 A HA -0.175 4.146 4.320 0.001 0.000 0.218 254 A C 2.180 179.701 177.584 -0.104 0.000 1.181 254 A CA 2.365 54.308 52.037 -0.158 0.000 0.627 254 A CB -1.227 17.673 19.000 -0.168 0.000 0.818 254 A HN 0.433 nan 8.150 nan 0.000 0.445 255 T N 0.319 114.807 114.554 -0.111 0.000 2.684 255 T HA -0.150 4.200 4.350 0.001 0.000 0.267 255 T C 1.794 176.463 174.700 -0.052 0.000 1.036 255 T CA 1.720 63.775 62.100 -0.075 0.000 1.148 255 T CB -0.428 68.397 68.868 -0.072 0.000 0.863 255 T HN 0.446 nan 8.240 nan 0.000 0.436 256 I N 0.503 121.031 120.570 -0.069 0.000 2.252 256 I HA -0.163 4.007 4.170 0.001 0.000 0.245 256 I C 2.630 178.749 176.117 0.003 0.000 1.102 256 I CA 0.819 62.088 61.300 -0.053 0.000 1.385 256 I CB -0.390 37.531 38.000 -0.132 0.000 1.064 256 I HN 0.340 nan 8.210 nan 0.000 0.414 257 C N 0.432 119.752 119.300 0.034 0.000 2.440 257 C HA -0.133 4.327 4.460 0.001 0.000 0.278 257 C C 2.688 177.713 174.990 0.058 0.000 1.295 257 C CA 0.726 59.799 59.018 0.091 0.000 1.738 257 C CB -1.476 26.329 27.740 0.108 0.000 1.987 257 C HN 0.583 nan 8.230 nan 0.000 0.492 258 N N 1.198 119.909 118.700 0.019 0.000 2.007 258 N HA -0.169 4.572 4.740 0.001 0.000 0.197 258 N C 1.630 177.216 175.510 0.127 0.000 1.050 258 N CA 1.696 54.765 53.050 0.032 0.000 0.856 258 N CB -0.435 38.034 38.487 -0.029 0.000 1.050 258 N HN 0.492 nan 8.380 nan 0.000 0.423 259 M N 0.500 120.148 119.600 0.081 0.000 2.682 259 M HA 0.076 4.556 4.480 0.001 0.000 0.235 259 M C 1.309 177.666 176.300 0.094 0.000 1.114 259 M CA 0.260 55.620 55.300 0.101 0.000 1.053 259 M CB -0.071 32.555 32.600 0.043 0.000 1.599 259 M HN 0.188 nan 8.290 nan 0.000 0.520 260 G N -0.472 108.384 108.800 0.093 0.000 2.598 260 G HA2 -0.070 3.890 3.960 0.001 0.000 0.215 260 G HA3 -0.070 3.890 3.960 0.001 0.000 0.215 260 G C 1.418 176.353 174.900 0.059 0.000 1.131 260 G CA 0.681 45.832 45.100 0.085 0.000 0.785 260 G HN 0.599 nan 8.290 nan 0.000 0.539 261 A N 1.068 123.920 122.820 0.053 0.000 1.940 261 A HA -0.042 4.279 4.320 0.001 0.000 0.219 261 A C 2.082 179.683 177.584 0.029 0.000 1.176 261 A CA 1.858 53.891 52.037 -0.007 0.000 0.631 261 A CB -0.241 18.667 19.000 -0.154 0.000 0.814 261 A HN 0.289 nan 8.150 nan 0.000 0.446 262 E N -0.487 119.754 120.200 0.068 0.000 2.516 262 E HA -0.031 4.320 4.350 0.001 0.000 0.199 262 E C 1.227 177.874 176.600 0.079 0.000 1.069 262 E CA 0.777 57.224 56.400 0.080 0.000 0.876 262 E CB -0.312 29.429 29.700 0.068 0.000 0.843 262 E HN 0.893 nan 8.360 nan 0.000 0.530 263 I N -5.579 115.028 120.570 0.062 0.000 3.936 263 I HA 0.453 4.624 4.170 0.001 0.000 0.330 263 I C 1.032 177.179 176.117 0.050 0.000 1.509 263 I CA 0.195 61.527 61.300 0.053 0.000 1.126 263 I CB 0.417 38.438 38.000 0.035 0.000 1.115 263 I HN 0.026 nan 8.210 nan 0.000 0.424 264 G N 1.679 110.513 108.800 0.057 0.000 2.148 264 G HA2 -0.258 3.702 3.960 0.001 0.000 0.254 264 G HA3 -0.258 3.702 3.960 0.001 0.000 0.254 264 G C 0.483 175.410 174.900 0.046 0.000 0.981 264 G CA 0.058 45.193 45.100 0.058 0.000 0.670 264 G HN 0.968 nan 8.290 nan 0.000 0.528 265 A N -0.220 122.621 122.820 0.035 0.000 2.462 265 A HA 0.630 4.951 4.320 0.001 0.000 0.243 265 A C 1.681 179.286 177.584 0.035 0.000 1.076 265 A CA 1.385 53.439 52.037 0.028 0.000 0.773 265 A CB 0.221 19.233 19.000 0.020 0.000 1.010 265 A HN 0.747 nan 8.150 nan 0.000 0.493 266 T N 0.508 115.085 114.554 0.039 0.000 2.759 266 T HA 0.015 4.366 4.350 0.001 0.000 0.269 266 T C 0.971 175.703 174.700 0.054 0.000 1.042 266 T CA 2.094 64.228 62.100 0.056 0.000 1.140 266 T CB -0.219 68.683 68.868 0.058 0.000 0.864 266 T HN 1.045 nan 8.240 nan 0.000 0.455 267 T N -1.063 113.515 114.554 0.040 0.000 2.654 267 T HA 0.461 4.811 4.350 0.001 0.000 0.303 267 T C -1.940 172.786 174.700 0.044 0.000 1.656 267 T CA -0.752 61.371 62.100 0.038 0.000 0.971 267 T CB 1.215 70.105 68.868 0.037 0.000 1.811 267 T HN 0.047 nan 8.240 nan 0.000 0.483 268 S N -0.036 115.707 115.700 0.072 0.000 2.599 268 S HA 0.933 5.404 4.470 0.001 0.000 0.294 268 S C -1.316 173.368 174.600 0.140 0.000 1.094 268 S CA -0.673 57.599 58.200 0.120 0.000 0.931 268 S CB 1.838 65.175 63.200 0.229 0.000 1.093 268 S HN 0.940 nan 8.310 nan 0.000 0.488 269 V N 1.651 121.658 119.914 0.155 0.000 3.147 269 V HA 0.684 4.804 4.120 0.001 0.000 0.299 269 V C -2.204 173.969 176.094 0.131 0.000 1.302 269 V CA -0.661 61.743 62.300 0.173 0.000 1.015 269 V CB 1.889 33.778 31.823 0.110 0.000 1.086 269 V HN 0.830 nan 8.190 nan 0.000 0.437 270 F N 5.178 125.206 119.950 0.131 0.000 2.556 270 F HA 0.780 5.307 4.527 0.001 0.000 0.327 270 F C -2.076 173.808 175.800 0.139 0.000 1.059 270 F CA -1.928 56.153 58.000 0.135 0.000 0.953 270 F CB 2.474 41.511 39.000 0.061 0.000 1.227 270 F HN 0.351 nan 8.300 nan 0.000 0.478 271 P HA 0.056 nan 4.420 nan 0.000 0.282 271 P C -1.204 176.281 177.300 0.308 0.000 1.249 271 P CA -0.272 62.991 63.100 0.271 0.000 0.806 271 P CB 0.754 32.584 31.700 0.216 0.000 0.984 272 Y N 4.205 124.595 120.300 0.150 0.000 2.632 272 Y HA 0.092 4.642 4.550 0.001 0.000 0.329 272 Y C 0.238 176.222 175.900 0.140 0.000 1.174 272 Y CA 0.383 58.566 58.100 0.138 0.000 1.469 272 Y CB -0.418 38.120 38.460 0.130 0.000 1.242 272 Y HN 0.483 nan 8.280 nan 0.000 0.540 273 N N 2.670 121.255 118.700 -0.192 0.000 3.278 273 N HA 0.132 4.872 4.740 0.001 0.000 0.307 273 N C 0.645 176.012 175.510 -0.237 0.000 1.551 273 N CA -0.113 52.818 53.050 -0.198 0.000 0.794 273 N CB -0.046 38.492 38.487 0.085 0.000 1.770 273 N HN 0.546 nan 8.380 nan 0.000 0.612 274 H N -0.705 118.247 119.070 -0.197 0.000 2.423 274 H HA 0.183 4.739 4.556 0.001 0.000 0.297 274 H C 0.841 176.153 175.328 -0.026 0.000 1.075 274 H CA 1.008 56.991 56.048 -0.109 0.000 1.342 274 H CB -0.137 29.585 29.762 -0.067 0.000 1.395 274 H HN 0.366 nan 8.280 nan 0.000 0.530 275 R N 0.429 120.590 120.500 -0.564 0.000 2.115 275 R HA 0.013 4.354 4.340 0.001 0.000 0.230 275 R C 2.533 178.785 176.300 -0.081 0.000 1.111 275 R CA 1.046 56.928 56.100 -0.365 0.000 0.976 275 R CB -0.487 29.597 30.300 -0.360 0.000 0.870 275 R HN 0.433 nan 8.270 nan 0.000 0.445 276 M N 0.436 120.036 119.600 -0.000 0.000 2.099 276 M HA -0.109 4.372 4.480 0.001 0.000 0.262 276 M C 2.381 178.852 176.300 0.286 0.000 1.067 276 M CA 1.483 56.880 55.300 0.163 0.000 1.124 276 M CB -0.332 32.446 32.600 0.298 0.000 1.353 276 M HN 0.008 nan 8.290 nan 0.000 0.410 277 K N 1.015 121.592 120.400 0.294 0.000 2.044 277 K HA -0.248 4.073 4.320 0.001 0.000 0.210 277 K C 2.049 178.764 176.600 0.192 0.000 1.049 277 K CA 1.701 58.171 56.287 0.305 0.000 0.927 277 K CB -0.155 32.472 32.500 0.212 0.000 0.713 277 K HN 0.174 nan 8.250 nan 0.000 0.443 278 K N -0.345 120.132 120.400 0.129 0.000 2.032 278 K HA -0.237 4.084 4.320 0.001 0.000 0.209 278 K C 2.229 178.897 176.600 0.113 0.000 1.048 278 K CA 1.843 58.185 56.287 0.091 0.000 0.927 278 K CB -0.338 32.188 32.500 0.043 0.000 0.712 278 K HN 0.248 nan 8.250 nan 0.000 0.441 279 Y N 1.307 121.633 120.300 0.043 0.000 2.200 279 Y HA -0.148 4.402 4.550 0.001 0.000 0.290 279 Y C 1.815 177.759 175.900 0.074 0.000 1.137 279 Y CA 1.292 59.429 58.100 0.062 0.000 1.163 279 Y CB -0.113 38.376 38.460 0.049 0.000 0.988 279 Y HN 0.015 nan 8.280 nan 0.000 0.518 280 L N -0.982 120.374 121.223 0.222 0.000 2.012 280 L HA -0.276 4.064 4.340 0.001 0.000 0.210 280 L C 2.559 179.450 176.870 0.035 0.000 1.073 280 L CA 1.698 56.617 54.840 0.132 0.000 0.748 280 L CB -0.725 41.439 42.059 0.175 0.000 0.891 280 L HN 0.133 nan 8.230 nan 0.000 0.431 281 S N -0.417 115.315 115.700 0.053 0.000 2.368 281 S HA -0.215 4.256 4.470 0.001 0.000 0.225 281 S C 1.916 176.507 174.600 -0.013 0.000 1.030 281 S CA 1.449 59.665 58.200 0.026 0.000 0.999 281 S CB -0.177 63.046 63.200 0.039 0.000 0.844 281 S HN 0.200 nan 8.310 nan 0.000 0.459 282 K N 1.917 122.288 120.400 -0.049 0.000 2.504 282 K HA 0.007 4.328 4.320 0.001 0.000 0.195 282 K C 1.025 177.591 176.600 -0.056 0.000 1.036 282 K CA 0.993 57.241 56.287 -0.064 0.000 0.984 282 K CB -0.303 32.136 32.500 -0.100 0.000 0.788 282 K HN 0.442 nan 8.250 nan 0.000 0.488 283 T N -3.110 111.358 114.554 -0.143 0.000 3.269 283 T HA 0.334 4.684 4.350 0.001 0.000 0.269 283 T C 0.827 175.482 174.700 -0.075 0.000 0.993 283 T CA -0.213 61.792 62.100 -0.158 0.000 0.909 283 T CB 0.153 68.812 68.868 -0.349 0.000 1.115 283 T HN 0.210 nan 8.240 nan 0.000 0.543 284 G N 2.277 111.077 108.800 0.001 0.000 2.249 284 G HA2 -0.298 3.662 3.960 0.001 0.000 0.273 284 G HA3 -0.298 3.662 3.960 0.001 0.000 0.273 284 G C 0.388 175.352 174.900 0.107 0.000 1.036 284 G CA 0.023 45.171 45.100 0.080 0.000 0.824 284 G HN 0.627 nan 8.290 nan 0.000 0.504 285 R N -0.763 119.753 120.500 0.027 0.000 2.727 285 R HA 0.517 4.858 4.340 0.001 0.000 0.410 285 R C 2.102 178.421 176.300 0.032 0.000 1.101 285 R CA 0.321 56.431 56.100 0.016 0.000 1.045 285 R CB 0.258 30.543 30.300 -0.025 0.000 1.380 285 R HN 0.364 nan 8.270 nan 0.000 0.587 286 A N 1.725 124.567 122.820 0.037 0.000 1.978 286 A HA -0.234 4.086 4.320 0.001 0.000 0.220 286 A C 1.740 179.353 177.584 0.048 0.000 1.170 286 A CA 1.977 54.043 52.037 0.048 0.000 0.636 286 A CB -0.194 18.827 19.000 0.035 0.000 0.810 286 A HN 0.466 nan 8.150 nan 0.000 0.448 287 D N 0.307 120.722 120.400 0.026 0.000 2.219 287 D HA -0.142 4.499 4.640 0.001 0.000 0.205 287 D C 1.705 178.012 176.300 0.012 0.000 0.970 287 D CA 1.193 55.204 54.000 0.018 0.000 0.851 287 D CB -0.565 40.232 40.800 -0.004 0.000 0.943 287 D HN 0.554 nan 8.370 nan 0.000 0.488 288 I N 0.979 121.545 120.570 -0.006 0.000 2.406 288 I HA -0.112 4.059 4.170 0.001 0.000 0.249 288 I C 2.735 178.881 176.117 0.049 0.000 1.122 288 I CA 0.798 62.077 61.300 -0.034 0.000 1.431 288 I CB -0.253 37.697 38.000 -0.083 0.000 1.087 288 I HN -0.007 nan 8.210 nan 0.000 0.424 289 A N 1.226 124.103 122.820 0.094 0.000 1.940 289 A HA -0.219 4.101 4.320 0.001 0.000 0.219 289 A C 2.050 179.758 177.584 0.208 0.000 1.176 289 A CA 1.935 54.080 52.037 0.181 0.000 0.631 289 A CB -0.608 18.515 19.000 0.204 0.000 0.814 289 A HN 0.393 nan 8.150 nan 0.000 0.446 290 N N -0.464 118.325 118.700 0.149 0.000 2.142 290 N HA -0.091 4.649 4.740 0.001 0.000 0.186 290 N C 1.540 177.160 175.510 0.183 0.000 1.023 290 N CA 1.314 54.452 53.050 0.148 0.000 0.852 290 N CB -0.484 38.060 38.487 0.097 0.000 0.998 290 N HN 0.411 nan 8.380 nan 0.000 0.424 291 L N 0.909 122.242 121.223 0.184 0.000 2.156 291 L HA 0.093 4.433 4.340 0.001 0.000 0.208 291 L C 1.963 179.122 176.870 0.483 0.000 1.095 291 L CA 1.088 56.105 54.840 0.295 0.000 0.770 291 L CB -0.624 41.545 42.059 0.185 0.000 0.914 291 L HN 0.090 nan 8.230 nan 0.000 0.439 292 A N -0.935 122.101 122.820 0.360 0.000 1.930 292 A HA -0.175 4.145 4.320 0.001 0.000 0.217 292 A C 1.925 179.704 177.584 0.325 0.000 1.175 292 A CA 1.599 53.770 52.037 0.223 0.000 0.627 292 A CB -0.666 18.158 19.000 -0.293 0.000 0.815 292 A HN 0.473 nan 8.150 nan 0.000 0.443 293 D N 0.243 120.868 120.400 0.374 0.000 2.182 293 D HA -0.138 4.502 4.640 0.001 0.000 0.201 293 D C 1.747 178.164 176.300 0.195 0.000 0.986 293 D CA 1.323 55.511 54.000 0.313 0.000 0.847 293 D CB -0.295 40.642 40.800 0.228 0.000 0.942 293 D HN 0.644 nan 8.370 nan 0.000 0.467 294 E N -0.932 119.379 120.200 0.186 0.000 2.358 294 E HA -0.046 4.305 4.350 0.001 0.000 0.195 294 E C 1.040 177.518 176.600 -0.203 0.000 1.010 294 E CA 0.363 56.758 56.400 -0.009 0.000 0.856 294 E CB 0.028 29.700 29.700 -0.047 0.000 0.795 294 E HN 0.351 nan 8.360 nan 0.000 0.504 295 F N 0.470 120.475 119.950 0.091 0.000 2.678 295 F HA 0.163 4.690 4.527 0.001 0.000 0.305 295 F C 1.862 177.677 175.800 0.025 0.000 1.090 295 F CA -0.308 57.721 58.000 0.048 0.000 1.272 295 F CB 0.476 39.389 39.000 -0.144 0.000 1.060 295 F HN -0.193 nan 8.300 nan 0.000 0.576 296 K N 1.156 121.684 120.400 0.213 0.000 2.248 296 K HA -0.281 4.040 4.320 0.001 0.000 0.208 296 K C 1.250 177.901 176.600 0.086 0.000 1.044 296 K CA 2.350 58.756 56.287 0.198 0.000 0.933 296 K CB -0.351 32.255 32.500 0.176 0.000 0.723 296 K HN 0.165 nan 8.250 nan 0.000 0.475 297 D N -0.930 119.434 120.400 -0.060 0.000 2.224 297 D HA -0.113 4.527 4.640 0.001 0.000 0.205 297 D C 1.292 177.467 176.300 -0.209 0.000 0.965 297 D CA 0.999 54.881 54.000 -0.195 0.000 0.852 297 D CB -0.185 40.382 40.800 -0.389 0.000 0.947 297 D HN 0.511 nan 8.370 nan 0.000 0.494 298 H N -0.355 118.759 119.070 0.073 0.000 2.539 298 H HA 0.217 4.773 4.556 0.001 0.000 0.269 298 H C 1.299 176.649 175.328 0.037 0.000 0.980 298 H CA 0.213 56.295 56.048 0.056 0.000 1.152 298 H CB 0.832 30.633 29.762 0.064 0.000 1.407 298 H HN 0.143 nan 8.280 nan 0.000 0.564 299 L N 0.960 122.262 121.223 0.132 0.000 2.959 299 L HA 0.204 4.544 4.340 0.001 0.000 0.259 299 L C 0.231 177.202 176.870 0.168 0.000 1.185 299 L CA -0.200 54.720 54.840 0.133 0.000 0.998 299 L CB 0.732 42.859 42.059 0.113 0.000 1.337 299 L HN -0.058 nan 8.230 nan 0.000 0.555 300 V N -3.887 116.102 119.914 0.125 0.000 3.102 300 V HA 0.722 4.842 4.120 0.001 0.000 0.312 300 V C -2.772 173.366 176.094 0.075 0.000 1.135 300 V CA -2.274 60.092 62.300 0.111 0.000 1.022 300 V CB 1.991 33.867 31.823 0.088 0.000 1.056 300 V HN -0.155 nan 8.190 nan 0.000 0.436 301 P HA 0.318 nan 4.420 nan 0.000 0.277 301 P C -0.976 176.321 177.300 -0.005 0.000 1.240 301 P CA -0.060 63.054 63.100 0.024 0.000 0.798 301 P CB 0.646 32.360 31.700 0.022 0.000 0.979 302 D N 2.325 122.710 120.400 -0.025 0.000 2.414 302 D HA 0.153 4.794 4.640 0.001 0.000 0.242 302 D C -1.955 174.313 176.300 -0.053 0.000 1.129 302 D CA -0.823 53.158 54.000 -0.032 0.000 0.885 302 D CB -0.704 40.080 40.800 -0.027 0.000 1.198 302 D HN 0.210 nan 8.370 nan 0.000 0.437 303 P HA 0.170 nan 4.420 nan 0.000 0.264 303 P C 0.448 177.711 177.300 -0.062 0.000 1.193 303 P CA 0.124 63.198 63.100 -0.043 0.000 0.763 303 P CB 0.570 32.254 31.700 -0.026 0.000 0.810 304 G N 2.242 110.993 108.800 -0.081 0.000 2.272 304 G HA2 -0.230 3.730 3.960 0.001 0.000 0.280 304 G HA3 -0.230 3.730 3.960 0.001 0.000 0.280 304 G C 0.274 175.094 174.900 -0.132 0.000 1.067 304 G CA -0.184 44.861 45.100 -0.091 0.000 0.902 304 G HN 0.843 nan 8.290 nan 0.000 0.500 305 C N -0.640 118.518 119.300 -0.237 0.000 2.466 305 C HA 0.744 5.204 4.460 0.001 0.000 0.379 305 C C 0.802 175.542 174.990 -0.417 0.000 1.251 305 C CA -1.606 57.237 59.018 -0.292 0.000 2.263 305 C CB 0.973 28.509 27.740 -0.340 0.000 2.511 305 C HN 0.559 nan 8.230 nan 0.000 0.573 306 H N 1.910 120.773 119.070 -0.345 0.000 2.604 306 H HA 0.323 4.879 4.556 0.001 0.000 0.306 306 H C -1.066 174.088 175.328 -0.290 0.000 1.075 306 H CA 0.028 55.908 56.048 -0.280 0.000 1.357 306 H CB 0.305 29.995 29.762 -0.120 0.000 1.426 306 H HN 0.759 nan 8.280 nan 0.000 0.470 307 Y N 3.311 123.349 120.300 -0.435 0.000 2.301 307 Y HA 0.013 4.564 4.550 0.001 0.000 0.325 307 Y C 1.237 176.766 175.900 -0.619 0.000 1.203 307 Y CA -0.599 57.268 58.100 -0.388 0.000 1.255 307 Y CB 0.901 39.202 38.460 -0.265 0.000 1.232 307 Y HN 0.662 nan 8.280 nan 0.000 0.501 308 D N -0.091 120.241 120.400 -0.113 0.000 2.347 308 D HA -0.012 4.628 4.640 0.001 0.000 0.213 308 D C 0.143 176.413 176.300 -0.050 0.000 0.985 308 D CA 0.698 54.656 54.000 -0.070 0.000 0.879 308 D CB 0.473 41.288 40.800 0.025 0.000 0.919 308 D HN 0.471 nan 8.370 nan 0.000 0.526 309 Q N 0.009 119.775 119.800 -0.056 0.000 2.426 309 Q HA 0.466 4.807 4.340 0.001 0.000 0.278 309 Q C -2.168 173.792 176.000 -0.067 0.000 1.007 309 Q CA -0.673 55.100 55.803 -0.050 0.000 0.850 309 Q CB 1.930 30.638 28.738 -0.049 0.000 1.427 309 Q HN -0.120 nan 8.270 nan 0.000 0.391 310 V N 4.007 123.892 119.914 -0.049 0.000 2.735 310 V HA 0.661 4.782 4.120 0.001 0.000 0.310 310 V C -0.620 175.431 176.094 -0.071 0.000 1.061 310 V CA -0.571 61.695 62.300 -0.058 0.000 0.913 310 V CB 2.000 33.844 31.823 0.034 0.000 1.005 310 V HN 0.753 nan 8.190 nan 0.000 0.428 311 I N 2.669 123.173 120.570 -0.110 0.000 2.769 311 I HA 0.515 4.686 4.170 0.001 0.000 0.298 311 I C -0.625 175.433 176.117 -0.099 0.000 1.128 311 I CA -0.413 60.833 61.300 -0.091 0.000 1.031 311 I CB 2.481 40.416 38.000 -0.108 0.000 1.235 311 I HN 0.651 nan 8.210 nan 0.000 0.423 312 E N 6.142 126.304 120.200 -0.063 0.000 2.234 312 E HA 0.647 4.997 4.350 0.001 0.000 0.266 312 E C -1.661 174.915 176.600 -0.040 0.000 0.877 312 E CA -0.576 55.787 56.400 -0.062 0.000 0.758 312 E CB 2.012 31.692 29.700 -0.032 0.000 1.170 312 E HN 0.448 nan 8.360 nan 0.000 0.415 313 I N 3.483 124.030 120.570 -0.037 0.000 2.498 313 I HA 0.248 4.418 4.170 0.001 0.000 0.290 313 I C -0.590 175.527 176.117 -0.001 0.000 1.032 313 I CA -1.006 60.286 61.300 -0.012 0.000 1.073 313 I CB 1.890 39.887 38.000 -0.004 0.000 1.251 313 I HN 0.396 nan 8.210 nan 0.000 0.426 314 N N 5.790 124.496 118.700 0.009 0.000 2.527 314 N HA 0.235 4.976 4.740 0.001 0.000 0.236 314 N C 0.533 176.057 175.510 0.024 0.000 0.999 314 N CA -0.383 52.677 53.050 0.017 0.000 0.935 314 N CB 1.026 39.524 38.487 0.018 0.000 1.132 314 N HN 0.486 nan 8.380 nan 0.000 0.511 315 L N 2.144 123.382 121.223 0.026 0.000 2.129 315 L HA -0.152 4.189 4.340 0.001 0.000 0.212 315 L C 1.915 178.806 176.870 0.035 0.000 1.087 315 L CA 1.583 56.442 54.840 0.031 0.000 0.757 315 L CB -0.816 41.263 42.059 0.032 0.000 0.896 315 L HN 0.568 nan 8.230 nan 0.000 0.434 316 S N -1.622 114.097 115.700 0.031 0.000 2.461 316 S HA -0.091 4.380 4.470 0.001 0.000 0.228 316 S C 1.788 176.410 174.600 0.035 0.000 1.005 316 S CA 0.576 58.795 58.200 0.032 0.000 0.942 316 S CB 0.006 63.222 63.200 0.026 0.000 0.776 316 S HN 0.372 nan 8.310 nan 0.000 0.514 317 E N 0.440 120.661 120.200 0.036 0.000 2.318 317 E HA 0.198 4.549 4.350 0.001 0.000 0.193 317 E C 0.235 176.868 176.600 0.054 0.000 0.998 317 E CA -0.156 56.269 56.400 0.040 0.000 0.859 317 E CB 0.041 29.762 29.700 0.035 0.000 0.812 317 E HN 0.243 nan 8.360 nan 0.000 0.492 318 L N 1.288 122.547 121.223 0.060 0.000 2.455 318 L HA 0.180 4.520 4.340 0.001 0.000 0.272 318 L C -0.285 176.647 176.870 0.104 0.000 1.174 318 L CA 0.362 55.253 54.840 0.085 0.000 0.869 318 L CB 0.529 42.625 42.059 0.062 0.000 1.130 318 L HN -0.258 nan 8.230 nan 0.000 0.474 319 K N 5.496 125.983 120.400 0.145 0.000 2.185 319 K HA 0.587 4.907 4.320 0.001 0.000 0.240 319 K C -2.501 174.209 176.600 0.183 0.000 0.983 319 K CA -2.216 54.142 56.287 0.119 0.000 0.873 319 K CB 1.224 33.755 32.500 0.051 0.000 1.118 319 K HN 0.307 nan 8.250 nan 0.000 0.441 320 P HA -0.108 nan 4.420 nan 0.000 0.259 320 P C -0.881 176.451 177.300 0.054 0.000 1.163 320 P CA 0.820 63.976 63.100 0.094 0.000 0.760 320 P CB 0.250 31.947 31.700 -0.005 0.000 0.762 321 H N 1.977 121.063 119.070 0.025 0.000 2.797 321 H HA 0.683 5.240 4.556 0.001 0.000 0.362 321 H C -0.433 174.923 175.328 0.047 0.000 1.183 321 H CA -0.793 55.277 56.048 0.036 0.000 1.197 321 H CB 2.315 32.095 29.762 0.030 0.000 1.835 321 H HN 0.296 nan 8.280 nan 0.000 0.567 322 I N 2.182 122.850 120.570 0.164 0.000 2.649 322 I HA 0.163 4.334 4.170 0.001 0.000 0.289 322 I C -1.626 174.609 176.117 0.197 0.000 1.222 322 I CA -0.567 60.839 61.300 0.177 0.000 1.046 322 I CB 1.540 39.638 38.000 0.164 0.000 1.272 322 I HN 0.485 nan 8.210 nan 0.000 0.425 323 N N 4.630 123.411 118.700 0.135 0.000 2.319 323 N HA 0.937 5.677 4.740 0.001 0.000 0.305 323 N C -0.211 175.264 175.510 -0.059 0.000 1.103 323 N CA 0.338 53.396 53.050 0.014 0.000 0.815 323 N CB 2.093 40.574 38.487 -0.010 0.000 1.288 323 N HN 1.029 nan 8.380 nan 0.000 0.493 324 G N 1.039 109.735 108.800 -0.174 0.000 2.498 324 G HA2 -0.135 3.825 3.960 0.001 0.000 0.651 324 G HA3 -0.135 3.825 3.960 0.001 0.000 0.651 324 G C -2.126 172.350 174.900 -0.706 0.000 1.284 324 G CA -0.538 44.316 45.100 -0.410 0.000 0.950 324 G HN 0.413 nan 8.290 nan 0.000 0.511 325 P HA 0.108 nan 4.420 nan 0.000 0.221 325 P C 0.758 177.623 177.300 -0.724 0.000 1.150 325 P CA 1.433 63.778 63.100 -1.258 0.000 0.800 325 P CB 0.017 30.894 31.700 -1.372 0.000 0.787 326 F N -0.293 119.489 119.950 -0.280 0.000 2.815 326 F HA 0.276 4.804 4.527 0.001 0.000 0.323 326 F C 0.245 176.088 175.800 0.072 0.000 1.151 326 F CA -0.110 57.823 58.000 -0.112 0.000 1.191 326 F CB 0.159 39.117 39.000 -0.070 0.000 1.069 326 F HN -0.247 nan 8.300 nan 0.000 0.514 327 T N -0.524 114.115 114.554 0.141 0.000 2.956 327 T HA 0.276 4.626 4.350 0.001 0.000 0.312 327 T C -2.398 172.323 174.700 0.035 0.000 1.151 327 T CA -1.343 60.869 62.100 0.186 0.000 1.024 327 T CB 2.787 71.751 68.868 0.159 0.000 1.140 327 T HN -0.263 nan 8.240 nan 0.000 0.473 328 P HA 0.112 nan 4.420 nan 0.000 0.249 328 P C 0.176 177.475 177.300 -0.002 0.000 1.229 328 P CA 0.426 63.508 63.100 -0.030 0.000 0.788 328 P CB 0.103 31.767 31.700 -0.060 0.000 1.072 329 D N -1.407 119.008 120.400 0.025 0.000 2.398 329 D HA -0.001 4.640 4.640 0.001 0.000 0.210 329 D C 0.625 176.929 176.300 0.008 0.000 1.094 329 D CA -0.314 53.700 54.000 0.022 0.000 0.839 329 D CB -0.750 40.076 40.800 0.044 0.000 0.963 329 D HN 0.149 nan 8.370 nan 0.000 0.506 330 L N 1.597 122.812 121.223 -0.014 0.000 2.404 330 L HA 0.439 4.779 4.340 0.001 0.000 0.277 330 L C -0.253 176.489 176.870 -0.212 0.000 1.184 330 L CA -0.378 54.435 54.840 -0.045 0.000 1.013 330 L CB -0.078 41.983 42.059 0.003 0.000 1.318 330 L HN 0.053 nan 8.230 nan 0.000 0.435 331 A N 4.808 127.542 122.820 -0.144 0.000 2.328 331 A HA 0.543 4.863 4.320 0.001 0.000 0.284 331 A C -0.652 176.798 177.584 -0.222 0.000 1.160 331 A CA -0.385 51.584 52.037 -0.114 0.000 0.818 331 A CB 0.275 19.329 19.000 0.089 0.000 1.087 331 A HN 0.726 nan 8.150 nan 0.000 0.504 332 H N 1.222 120.389 119.070 0.162 0.000 2.797 332 H HA 0.482 5.038 4.556 0.001 0.000 0.372 332 H C -2.865 172.363 175.328 -0.166 0.000 1.168 332 H CA -2.206 53.875 56.048 0.056 0.000 1.163 332 H CB 1.397 31.226 29.762 0.111 0.000 1.778 332 H HN 0.349 nan 8.280 nan 0.000 0.551 333 P HA 0.047 nan 4.420 nan 0.000 0.284 333 P C 1.112 178.338 177.300 -0.124 0.000 1.253 333 P CA -0.334 62.576 63.100 -0.317 0.000 0.800 333 P CB 1.399 32.942 31.700 -0.263 0.000 0.961 334 V N 2.912 122.744 119.914 -0.137 0.000 2.380 334 V HA -0.306 3.814 4.120 0.001 0.000 0.251 334 V C 2.261 178.265 176.094 -0.151 0.000 1.063 334 V CA 2.751 64.979 62.300 -0.120 0.000 1.055 334 V CB -1.509 30.223 31.823 -0.152 0.000 0.657 334 V HN 0.684 nan 8.190 nan 0.000 0.455 335 A N -0.470 122.254 122.820 -0.160 0.000 2.070 335 A HA -0.204 4.116 4.320 0.001 0.000 0.220 335 A C 2.009 179.525 177.584 -0.113 0.000 1.159 335 A CA 1.881 53.826 52.037 -0.153 0.000 0.656 335 A CB -0.286 18.633 19.000 -0.136 0.000 0.800 335 A HN 0.679 nan 8.150 nan 0.000 0.453 336 E N -1.531 118.619 120.200 -0.084 0.000 2.511 336 E HA 0.137 4.488 4.350 0.001 0.000 0.209 336 E C 1.374 177.932 176.600 -0.072 0.000 0.986 336 E CA 0.180 56.542 56.400 -0.064 0.000 0.974 336 E CB 0.402 30.082 29.700 -0.033 0.000 1.030 336 E HN 0.243 nan 8.360 nan 0.000 0.490 337 V N 0.934 120.808 119.914 -0.066 0.000 2.490 337 V HA -0.167 3.953 4.120 0.001 0.000 0.250 337 V C 1.976 178.005 176.094 -0.110 0.000 1.061 337 V CA 2.362 64.602 62.300 -0.100 0.000 1.064 337 V CB -0.471 31.325 31.823 -0.045 0.000 0.670 337 V HN 0.440 nan 8.190 nan 0.000 0.461 338 G N -1.317 107.420 108.800 -0.105 0.000 2.470 338 G HA2 -0.183 3.777 3.960 0.001 0.000 0.220 338 G HA3 -0.183 3.777 3.960 0.001 0.000 0.220 338 G C 1.650 176.496 174.900 -0.091 0.000 1.121 338 G CA 1.160 46.204 45.100 -0.094 0.000 0.766 338 G HN 0.582 nan 8.290 nan 0.000 0.553 339 S N -0.806 114.835 115.700 -0.099 0.000 2.499 339 S HA 0.088 4.558 4.470 0.001 0.000 0.225 339 S C 2.373 176.887 174.600 -0.143 0.000 1.050 339 S CA 0.261 58.399 58.200 -0.104 0.000 0.928 339 S CB 0.385 63.534 63.200 -0.085 0.000 0.803 339 S HN 0.164 nan 8.310 nan 0.000 0.506 340 V N 2.624 122.434 119.914 -0.173 0.000 2.270 340 V HA -0.147 3.974 4.120 0.001 0.000 0.245 340 V C 2.759 178.581 176.094 -0.454 0.000 1.043 340 V CA 1.789 63.925 62.300 -0.275 0.000 1.014 340 V CB -1.252 30.407 31.823 -0.273 0.000 0.645 340 V HN 0.511 nan 8.190 nan 0.000 0.447 341 A N -0.149 122.496 122.820 -0.292 0.000 1.892 341 A HA -0.345 3.975 4.320 0.001 0.000 0.218 341 A C 2.285 179.726 177.584 -0.240 0.000 1.188 341 A CA 2.419 54.355 52.037 -0.168 0.000 0.631 341 A CB -0.657 18.453 19.000 0.184 0.000 0.822 341 A HN 0.652 nan 8.150 nan 0.000 0.447 342 E N -0.150 119.952 120.200 -0.163 0.000 2.058 342 E HA -0.271 4.080 4.350 0.001 0.000 0.194 342 E C 2.108 178.606 176.600 -0.169 0.000 0.997 342 E CA 1.673 57.992 56.400 -0.134 0.000 0.801 342 E CB -0.169 29.471 29.700 -0.099 0.000 0.746 342 E HN 0.684 nan 8.360 nan 0.000 0.450 343 K N 0.425 120.701 120.400 -0.207 0.000 2.057 343 K HA -0.212 4.108 4.320 0.001 0.000 0.207 343 K C 1.771 178.211 176.600 -0.266 0.000 1.049 343 K CA 1.805 57.971 56.287 -0.201 0.000 0.931 343 K CB -0.016 32.373 32.500 -0.186 0.000 0.714 343 K HN -0.034 nan 8.250 nan 0.000 0.440 344 E N -0.831 119.082 120.200 -0.478 0.000 2.489 344 E HA 0.096 4.447 4.350 0.001 0.000 0.193 344 E C 0.487 176.793 176.600 -0.490 0.000 1.057 344 E CA 0.726 56.750 56.400 -0.625 0.000 0.866 344 E CB 0.521 29.433 29.700 -1.314 0.000 0.916 344 E HN 0.605 nan 8.360 nan 0.000 0.500 345 G N 0.318 108.933 108.800 -0.308 0.000 2.143 345 G HA2 -0.217 3.743 3.960 0.001 0.000 0.248 345 G HA3 -0.217 3.743 3.960 0.001 0.000 0.248 345 G C -0.398 174.529 174.900 0.045 0.000 0.991 345 G CA 0.085 45.128 45.100 -0.094 0.000 0.689 345 G HN 0.073 nan 8.290 nan 0.000 0.522 346 W N 0.306 121.616 121.300 0.016 0.000 2.238 346 W HA 0.510 5.170 4.660 0.001 0.000 0.321 346 W C -1.998 174.448 176.519 -0.121 0.000 1.293 346 W CA -2.985 54.322 57.345 -0.064 0.000 1.204 346 W CB -0.292 29.288 29.460 0.200 0.000 1.167 346 W HN 0.033 nan 8.180 nan 0.000 0.553 347 P HA -0.018 nan 4.420 nan 0.000 0.267 347 P C 0.886 178.193 177.300 0.012 0.000 1.205 347 P CA -0.033 63.065 63.100 -0.004 0.000 0.765 347 P CB 0.807 32.488 31.700 -0.031 0.000 0.828 348 L N 1.833 123.053 121.223 -0.006 0.000 2.446 348 L HA 0.048 4.388 4.340 0.001 0.000 0.219 348 L C 0.897 177.744 176.870 -0.038 0.000 1.116 348 L CA 1.304 56.126 54.840 -0.030 0.000 0.844 348 L CB -0.905 41.136 42.059 -0.032 0.000 0.970 348 L HN 0.464 nan 8.230 nan 0.000 0.457 349 D N 0.404 120.792 120.400 -0.021 0.000 2.264 349 D HA 0.165 4.806 4.640 0.001 0.000 0.250 349 D C 0.003 176.297 176.300 -0.009 0.000 1.113 349 D CA -0.341 53.648 54.000 -0.019 0.000 0.871 349 D CB 1.986 42.780 40.800 -0.010 0.000 1.167 349 D HN -0.005 nan 8.370 nan 0.000 0.447 350 I N 2.581 123.142 120.570 -0.016 0.000 2.315 350 I HA 0.113 4.283 4.170 0.001 0.000 0.291 350 I C 1.585 177.717 176.117 0.025 0.000 1.006 350 I CA -0.837 60.464 61.300 0.001 0.000 1.265 350 I CB 1.384 39.370 38.000 -0.023 0.000 1.387 350 I HN 0.152 nan 8.210 nan 0.000 0.475 351 R N 4.404 124.938 120.500 0.057 0.000 2.057 351 R HA 0.218 4.559 4.340 0.001 0.000 0.224 351 R C 0.012 176.374 176.300 0.103 0.000 1.136 351 R CA 0.936 57.080 56.100 0.073 0.000 0.968 351 R CB -0.105 30.245 30.300 0.085 0.000 0.863 351 R HN 0.412 nan 8.270 nan 0.000 0.433 352 V N -0.452 119.544 119.914 0.137 0.000 2.709 352 V HA 0.641 4.761 4.120 0.001 0.000 0.308 352 V C -0.154 176.013 176.094 0.121 0.000 1.062 352 V CA -1.113 61.290 62.300 0.172 0.000 0.901 352 V CB 2.022 34.025 31.823 0.299 0.000 1.003 352 V HN 0.342 nan 8.190 nan 0.000 0.425 353 G N 3.302 112.183 108.800 0.135 0.000 2.478 353 G HA2 0.710 4.670 3.960 0.001 0.000 0.317 353 G HA3 0.710 4.670 3.960 0.001 0.000 0.317 353 G C -1.331 173.628 174.900 0.098 0.000 1.259 353 G CA -0.480 44.694 45.100 0.123 0.000 0.933 353 G HN 0.554 nan 8.290 nan 0.000 0.478 354 L N 4.035 125.203 121.223 -0.091 0.000 2.345 354 L HA 0.469 4.810 4.340 0.001 0.000 0.274 354 L C 0.322 177.044 176.870 -0.246 0.000 0.999 354 L CA -0.683 54.017 54.840 -0.235 0.000 0.849 354 L CB 1.525 43.332 42.059 -0.420 0.000 1.220 354 L HN 0.583 nan 8.230 nan 0.000 0.422 355 I N -0.187 120.292 120.570 -0.152 0.000 2.498 355 I HA 1.043 5.213 4.170 0.001 0.000 0.301 355 I C 0.502 176.621 176.117 0.003 0.000 0.984 355 I CA -0.202 61.056 61.300 -0.070 0.000 1.204 355 I CB 1.667 39.640 38.000 -0.046 0.000 1.362 355 I HN 0.641 nan 8.210 nan 0.000 0.471 356 G N 3.386 112.239 108.800 0.088 0.000 2.302 356 G HA2 0.395 4.355 3.960 0.001 0.000 0.264 356 G HA3 0.395 4.355 3.960 0.001 0.000 0.264 356 G C -0.457 174.512 174.900 0.115 0.000 1.335 356 G CA 0.134 45.286 45.100 0.087 0.000 0.982 356 G HN 2.242 nan 8.290 nan 0.000 0.473 357 S N -3.220 112.442 115.700 -0.063 0.000 3.662 357 S HA -0.102 4.369 4.470 0.001 0.000 0.787 357 S C 1.739 176.267 174.600 -0.121 0.000 1.315 357 S CA 0.941 59.016 58.200 -0.209 0.000 1.186 357 S CB -1.779 61.237 63.200 -0.306 0.000 0.500 357 S HN 2.811 nan 8.310 nan 0.000 0.528 358 C N -0.108 119.111 119.300 -0.135 0.000 2.413 358 C HA 0.114 4.574 4.460 0.001 0.000 0.292 358 C C 2.516 177.467 174.990 -0.064 0.000 1.435 358 C CA 1.237 60.220 59.018 -0.057 0.000 1.791 358 C CB -2.449 25.333 27.740 0.070 0.000 1.784 358 C HN 0.953 nan 8.230 nan 0.000 0.548 359 T N 0.428 114.920 114.554 -0.103 0.000 3.014 359 T HA -0.005 4.345 4.350 0.001 0.000 0.263 359 T C 0.600 175.278 174.700 -0.038 0.000 1.078 359 T CA 1.379 63.429 62.100 -0.083 0.000 1.135 359 T CB -0.388 68.425 68.868 -0.093 0.000 0.895 359 T HN 0.748 nan 8.240 nan 0.000 0.480 360 N N 0.458 119.148 118.700 -0.015 0.000 2.666 360 N HA 0.151 4.892 4.740 0.001 0.000 0.253 360 N C -0.062 175.452 175.510 0.007 0.000 1.621 360 N CA -0.133 52.917 53.050 0.001 0.000 0.785 360 N CB 1.080 39.576 38.487 0.015 0.000 1.332 360 N HN 0.142 nan 8.380 nan 0.000 0.514 361 S N -1.818 113.882 115.700 0.001 0.000 2.855 361 S HA 0.185 4.655 4.470 0.001 0.000 0.249 361 S C 0.461 175.081 174.600 0.034 0.000 1.033 361 S CA -0.566 57.637 58.200 0.005 0.000 1.038 361 S CB -0.046 63.143 63.200 -0.017 0.000 0.960 361 S HN 0.212 nan 8.310 nan 0.000 0.548 362 S N 0.366 116.100 115.700 0.057 0.000 2.693 362 S HA 0.463 4.934 4.470 0.001 0.000 0.276 362 S C 0.774 175.483 174.600 0.181 0.000 1.192 362 S CA -0.606 57.673 58.200 0.131 0.000 0.994 362 S CB 0.263 63.543 63.200 0.134 0.000 1.012 362 S HN 0.252 nan 8.310 nan 0.000 0.550 363 Y N 0.721 121.144 120.300 0.205 0.000 2.139 363 Y HA -0.228 4.322 4.550 0.001 0.000 0.282 363 Y C 2.566 178.566 175.900 0.166 0.000 1.179 363 Y CA 2.547 60.797 58.100 0.249 0.000 1.161 363 Y CB -0.314 38.349 38.460 0.339 0.000 0.970 363 Y HN 0.969 nan 8.280 nan 0.000 0.511 364 E N -0.461 119.848 120.200 0.182 0.000 2.072 364 E HA -0.215 4.135 4.350 0.001 0.000 0.191 364 E C 1.771 178.334 176.600 -0.063 0.000 0.985 364 E CA 1.391 57.818 56.400 0.044 0.000 0.801 364 E CB -0.138 29.614 29.700 0.087 0.000 0.750 364 E HN 0.531 nan 8.360 nan 0.000 0.452 365 D N 0.287 120.672 120.400 -0.025 0.000 2.097 365 D HA -0.185 4.455 4.640 0.001 0.000 0.195 365 D C 1.985 178.230 176.300 -0.092 0.000 0.989 365 D CA 1.093 55.067 54.000 -0.043 0.000 0.827 365 D CB -0.128 40.667 40.800 -0.009 0.000 0.966 365 D HN 0.277 nan 8.370 nan 0.000 0.456 366 M N 0.415 119.952 119.600 -0.105 0.000 2.149 366 M HA -0.068 4.412 4.480 0.001 0.000 0.261 366 M C 2.390 178.453 176.300 -0.394 0.000 1.064 366 M CA 1.194 56.405 55.300 -0.149 0.000 1.102 366 M CB -1.453 31.117 32.600 -0.050 0.000 1.369 366 M HN 0.017 nan 8.290 nan 0.000 0.408 367 G N -0.505 107.903 108.800 -0.653 0.000 2.408 367 G HA2 -0.144 3.816 3.960 0.001 0.000 0.215 367 G HA3 -0.144 3.816 3.960 0.001 0.000 0.215 367 G C 1.865 176.438 174.900 -0.544 0.000 1.156 367 G CA 0.166 44.610 45.100 -1.094 0.000 0.793 367 G HN 0.367 nan 8.290 nan 0.000 0.535 368 R N 0.638 120.952 120.500 -0.310 0.000 2.080 368 R HA -0.065 4.275 4.340 0.001 0.000 0.236 368 R C 3.036 179.246 176.300 -0.150 0.000 1.137 368 R CA 1.637 57.619 56.100 -0.197 0.000 0.943 368 R CB -0.456 29.770 30.300 -0.124 0.000 0.846 368 R HN 0.313 nan 8.270 nan 0.000 0.431 369 S N 0.922 116.562 115.700 -0.099 0.000 2.359 369 S HA -0.249 4.221 4.470 0.001 0.000 0.223 369 S C 2.151 176.735 174.600 -0.026 0.000 1.039 369 S CA 1.464 59.659 58.200 -0.008 0.000 1.042 369 S CB -0.458 62.770 63.200 0.047 0.000 0.915 369 S HN 0.527 nan 8.310 nan 0.000 0.439 370 A N 1.574 124.317 122.820 -0.128 0.000 1.948 370 A HA -0.038 4.282 4.320 0.001 0.000 0.220 370 A C 2.326 179.858 177.584 -0.087 0.000 1.177 370 A CA 1.925 53.896 52.037 -0.111 0.000 0.636 370 A CB -1.083 17.754 19.000 -0.271 0.000 0.815 370 A HN 0.585 nan 8.150 nan 0.000 0.449 371 A N -0.980 121.757 122.820 -0.139 0.000 2.121 371 A HA 0.167 4.487 4.320 0.001 0.000 0.218 371 A C 2.097 179.651 177.584 -0.051 0.000 1.154 371 A CA 1.503 53.479 52.037 -0.102 0.000 0.679 371 A CB -0.479 18.431 19.000 -0.150 0.000 0.795 371 A HN 0.362 nan 8.150 nan 0.000 0.458 372 V N -0.538 119.367 119.914 -0.015 0.000 2.379 372 V HA -0.105 4.015 4.120 0.001 0.000 0.243 372 V C 3.013 179.143 176.094 0.061 0.000 1.035 372 V CA 1.490 63.827 62.300 0.062 0.000 1.035 372 V CB -1.195 30.711 31.823 0.139 0.000 0.673 372 V HN 0.547 nan 8.190 nan 0.000 0.457 373 A N 1.795 124.637 122.820 0.037 0.000 1.892 373 A HA -0.302 4.019 4.320 0.001 0.000 0.218 373 A C 2.116 179.722 177.584 0.037 0.000 1.188 373 A CA 2.641 54.697 52.037 0.031 0.000 0.631 373 A CB -0.567 18.466 19.000 0.056 0.000 0.822 373 A HN 0.670 nan 8.150 nan 0.000 0.447 374 K N 0.622 121.039 120.400 0.029 0.000 2.280 374 K HA -0.136 4.184 4.320 0.001 0.000 0.202 374 K C 1.601 178.218 176.600 0.028 0.000 1.047 374 K CA 1.815 58.116 56.287 0.024 0.000 0.942 374 K CB -0.679 31.830 32.500 0.015 0.000 0.739 374 K HN 0.689 nan 8.250 nan 0.000 0.457 375 Q N 0.252 120.085 119.800 0.056 0.000 2.123 375 Q HA 0.117 4.457 4.340 0.001 0.000 0.199 375 Q C 2.233 178.299 176.000 0.110 0.000 0.966 375 Q CA 1.208 57.066 55.803 0.092 0.000 0.845 375 Q CB -0.231 28.596 28.738 0.147 0.000 0.907 375 Q HN 0.479 nan 8.270 nan 0.000 0.439 376 A N 1.201 124.095 122.820 0.122 0.000 1.873 376 A HA -0.139 4.182 4.320 0.001 0.000 0.215 376 A C 2.109 179.727 177.584 0.057 0.000 1.186 376 A CA 0.972 53.090 52.037 0.134 0.000 0.616 376 A CB -0.721 18.337 19.000 0.097 0.000 0.823 376 A HN 0.261 nan 8.150 nan 0.000 0.442 377 L N -0.518 120.721 121.223 0.027 0.000 2.013 377 L HA -0.260 4.081 4.340 0.001 0.000 0.212 377 L C 3.021 179.862 176.870 -0.050 0.000 1.073 377 L CA 1.194 56.033 54.840 -0.002 0.000 0.753 377 L CB -0.568 41.494 42.059 0.004 0.000 0.890 377 L HN 0.441 nan 8.230 nan 0.000 0.432 378 A N -0.967 121.805 122.820 -0.081 0.000 2.139 378 A HA -0.240 4.080 4.320 0.001 0.000 0.221 378 A C 1.460 178.756 177.584 -0.479 0.000 1.159 378 A CA 1.746 53.650 52.037 -0.222 0.000 0.662 378 A CB -0.801 18.067 19.000 -0.220 0.000 0.796 378 A HN 0.581 nan 8.150 nan 0.000 0.463 379 H N -2.026 116.868 119.070 -0.294 0.000 2.592 379 H HA 0.405 4.961 4.556 0.001 0.000 0.279 379 H C 1.254 176.493 175.328 -0.150 0.000 1.089 379 H CA 0.219 56.068 56.048 -0.332 0.000 1.150 379 H CB 0.297 29.605 29.762 -0.757 0.000 1.575 379 H HN 0.512 nan 8.280 nan 0.000 0.547 380 G N 1.270 110.050 108.800 -0.033 0.000 2.246 380 G HA2 -0.265 3.696 3.960 0.001 0.000 0.273 380 G HA3 -0.265 3.696 3.960 0.001 0.000 0.273 380 G C -0.263 174.655 174.900 0.031 0.000 1.055 380 G CA 0.159 45.257 45.100 -0.004 0.000 0.851 380 G HN 0.299 nan 8.290 nan 0.000 0.500 381 L N -1.076 120.175 121.223 0.047 0.000 2.330 381 L HA 0.769 5.109 4.340 0.001 0.000 0.271 381 L C 0.498 177.383 176.870 0.024 0.000 1.013 381 L CA -1.028 53.845 54.840 0.055 0.000 0.816 381 L CB 1.916 44.046 42.059 0.118 0.000 1.287 381 L HN 0.241 nan 8.230 nan 0.000 0.435 382 K N 0.132 120.533 120.400 0.002 0.000 2.466 382 K HA 0.475 4.795 4.320 0.001 0.000 0.260 382 K C -1.299 175.269 176.600 -0.054 0.000 1.011 382 K CA -0.892 55.385 56.287 -0.017 0.000 0.871 382 K CB 1.592 34.094 32.500 0.003 0.000 1.404 382 K HN 0.373 nan 8.250 nan 0.000 0.450 383 C N 2.647 121.897 119.300 -0.084 0.000 2.523 383 C HA -0.004 4.456 4.460 0.001 0.000 0.406 383 C C 1.903 176.846 174.990 -0.077 0.000 1.449 383 C CA 0.183 59.121 59.018 -0.134 0.000 1.588 383 C CB -0.642 27.008 27.740 -0.150 0.000 2.514 383 C HN 0.795 nan 8.230 nan 0.000 0.606 384 K N 1.700 122.041 120.400 -0.098 0.000 2.305 384 K HA 0.011 4.331 4.320 0.001 0.000 0.199 384 K C 0.801 177.377 176.600 -0.040 0.000 1.047 384 K CA 0.636 56.884 56.287 -0.065 0.000 0.976 384 K CB 0.250 32.697 32.500 -0.089 0.000 0.765 384 K HN 0.704 nan 8.250 nan 0.000 0.474 385 S N 0.582 116.257 115.700 -0.042 0.000 2.730 385 S HA 0.160 4.630 4.470 0.001 0.000 0.284 385 S C -0.326 174.312 174.600 0.063 0.000 1.153 385 S CA -0.647 57.560 58.200 0.011 0.000 0.995 385 S CB 1.686 64.896 63.200 0.017 0.000 1.058 385 S HN 0.232 nan 8.310 nan 0.000 0.552 386 Q N 0.388 120.253 119.800 0.108 0.000 2.352 386 Q HA 0.339 4.679 4.340 0.001 0.000 0.260 386 Q C -1.679 174.464 176.000 0.239 0.000 0.976 386 Q CA -0.004 55.894 55.803 0.157 0.000 0.881 386 Q CB 0.383 29.217 28.738 0.160 0.000 1.235 386 Q HN 0.518 nan 8.270 nan 0.000 0.419 387 F N 3.277 123.242 119.950 0.025 0.000 2.536 387 F HA 0.410 4.938 4.527 0.001 0.000 0.322 387 F C -0.989 174.807 175.800 -0.007 0.000 1.144 387 F CA -0.478 57.522 58.000 0.001 0.000 0.924 387 F CB 1.692 40.692 39.000 0.000 0.000 1.181 387 F HN 0.554 nan 8.300 nan 0.000 0.438 388 T N 4.124 118.527 114.554 -0.252 0.000 2.887 388 T HA 0.823 5.173 4.350 0.001 0.000 0.288 388 T C -0.925 173.503 174.700 -0.454 0.000 1.021 388 T CA -0.634 61.284 62.100 -0.303 0.000 1.000 388 T CB 1.651 70.393 68.868 -0.210 0.000 1.034 388 T HN 0.370 nan 8.240 nan 0.000 0.467 389 I N 2.458 122.804 120.570 -0.374 0.000 2.439 389 I HA 0.346 4.517 4.170 0.001 0.000 0.285 389 I C 0.031 176.046 176.117 -0.170 0.000 1.021 389 I CA -0.428 60.685 61.300 -0.312 0.000 1.091 389 I CB 2.232 40.034 38.000 -0.331 0.000 1.242 389 I HN 0.720 nan 8.210 nan 0.000 0.439 390 T N 7.165 121.647 114.554 -0.120 0.000 2.743 390 T HA 0.414 4.764 4.350 0.001 0.000 0.292 390 T C -2.482 172.183 174.700 -0.060 0.000 0.972 390 T CA -1.406 60.641 62.100 -0.088 0.000 0.967 390 T CB 0.925 69.738 68.868 -0.092 0.000 0.926 390 T HN 0.169 nan 8.240 nan 0.000 0.459 391 P HA 0.191 nan 4.420 nan 0.000 0.269 391 P C 1.093 178.378 177.300 -0.025 0.000 1.209 391 P CA -0.167 62.926 63.100 -0.011 0.000 0.776 391 P CB 0.529 32.235 31.700 0.011 0.000 0.876 392 G N 0.954 109.746 108.800 -0.013 0.000 2.511 392 G HA2 0.079 4.039 3.960 0.001 0.000 0.217 392 G HA3 0.079 4.039 3.960 0.001 0.000 0.217 392 G C 0.112 174.980 174.900 -0.053 0.000 1.133 392 G CA 0.570 45.648 45.100 -0.038 0.000 0.792 392 G HN 0.671 nan 8.290 nan 0.000 0.539 393 S N -2.049 113.630 115.700 -0.035 0.000 2.636 393 S HA 0.383 4.853 4.470 0.001 0.000 0.268 393 S C 0.255 174.846 174.600 -0.014 0.000 1.159 393 S CA -0.246 57.925 58.200 -0.048 0.000 0.815 393 S CB 1.680 64.825 63.200 -0.091 0.000 1.130 393 S HN -0.115 nan 8.310 nan 0.000 0.471 394 E N 0.925 121.126 120.200 0.002 0.000 2.058 394 E HA -0.179 4.171 4.350 0.001 0.000 0.194 394 E C 1.954 178.572 176.600 0.030 0.000 0.997 394 E CA 2.221 58.638 56.400 0.029 0.000 0.801 394 E CB -0.447 29.288 29.700 0.059 0.000 0.746 394 E HN 0.712 nan 8.360 nan 0.000 0.450 395 Q N -0.297 119.502 119.800 -0.002 0.000 2.096 395 Q HA -0.154 4.186 4.340 0.001 0.000 0.204 395 Q C 2.274 178.306 176.000 0.053 0.000 0.982 395 Q CA 2.013 57.803 55.803 -0.022 0.000 0.850 395 Q CB -0.203 28.431 28.738 -0.173 0.000 0.901 395 Q HN 0.394 nan 8.270 nan 0.000 0.422 396 I N -0.029 120.571 120.570 0.050 0.000 2.252 396 I HA -0.258 3.913 4.170 0.001 0.000 0.245 396 I C 2.727 178.943 176.117 0.165 0.000 1.102 396 I CA 1.035 62.452 61.300 0.196 0.000 1.385 396 I CB -0.371 37.727 38.000 0.163 0.000 1.064 396 I HN 0.226 nan 8.210 nan 0.000 0.414 397 R N 1.453 122.008 120.500 0.090 0.000 2.082 397 R HA -0.225 4.116 4.340 0.001 0.000 0.234 397 R C 2.390 178.737 176.300 0.079 0.000 1.136 397 R CA 1.985 58.127 56.100 0.070 0.000 0.935 397 R CB -0.403 29.921 30.300 0.040 0.000 0.842 397 R HN 0.342 nan 8.270 nan 0.000 0.430 398 A N 0.070 122.937 122.820 0.078 0.000 1.883 398 A HA -0.162 4.159 4.320 0.001 0.000 0.217 398 A C 2.222 179.861 177.584 0.091 0.000 1.186 398 A CA 2.239 54.320 52.037 0.073 0.000 0.624 398 A CB -0.929 18.113 19.000 0.070 0.000 0.822 398 A HN 0.554 nan 8.150 nan 0.000 0.444 399 T N 0.724 115.371 114.554 0.155 0.000 2.812 399 T HA -0.064 4.287 4.350 0.001 0.000 0.264 399 T C 1.819 176.610 174.700 0.150 0.000 1.042 399 T CA 1.435 63.642 62.100 0.178 0.000 1.140 399 T CB -0.580 68.479 68.868 0.319 0.000 0.870 399 T HN 0.711 nan 8.240 nan 0.000 0.445 400 I N 0.331 120.997 120.570 0.160 0.000 2.614 400 I HA 0.039 4.209 4.170 0.001 0.000 0.258 400 I C 2.355 178.433 176.117 -0.064 0.000 1.189 400 I CA 1.318 62.612 61.300 -0.009 0.000 1.462 400 I CB -0.371 37.712 38.000 0.138 0.000 1.092 400 I HN 0.040 nan 8.210 nan 0.000 0.442 401 E N 1.964 122.167 120.200 0.005 0.000 2.031 401 E HA -0.233 4.117 4.350 0.001 0.000 0.193 401 E C 2.452 179.033 176.600 -0.032 0.000 0.994 401 E CA 1.338 57.737 56.400 -0.000 0.000 0.800 401 E CB -0.266 29.446 29.700 0.020 0.000 0.752 401 E HN 0.353 nan 8.360 nan 0.000 0.447 402 R N 0.446 120.929 120.500 -0.028 0.000 2.081 402 R HA -0.128 4.213 4.340 0.001 0.000 0.235 402 R C 0.587 176.830 176.300 -0.095 0.000 1.131 402 R CA 1.746 57.821 56.100 -0.041 0.000 0.960 402 R CB -0.380 29.909 30.300 -0.018 0.000 0.856 402 R HN 0.186 nan 8.270 nan 0.000 0.436 403 D N -0.838 119.450 120.400 -0.187 0.000 2.324 403 D HA 0.098 4.738 4.640 0.001 0.000 0.235 403 D C 0.924 177.008 176.300 -0.359 0.000 1.095 403 D CA 0.942 54.758 54.000 -0.307 0.000 0.871 403 D CB 0.264 40.816 40.800 -0.414 0.000 0.906 403 D HN 0.569 nan 8.370 nan 0.000 0.522 404 G N 0.177 108.853 108.800 -0.208 0.000 2.176 404 G HA2 -0.381 3.579 3.960 0.001 0.000 0.253 404 G HA3 -0.381 3.579 3.960 0.001 0.000 0.253 404 G C 0.873 175.808 174.900 0.058 0.000 0.979 404 G CA 0.253 45.317 45.100 -0.060 0.000 0.641 404 G HN 0.262 nan 8.290 nan 0.000 0.530 405 Y N 0.306 120.601 120.300 -0.008 0.000 2.184 405 Y HA 0.310 4.860 4.550 0.001 0.000 0.290 405 Y C 3.158 179.054 175.900 -0.008 0.000 1.129 405 Y CA 1.146 59.230 58.100 -0.027 0.000 1.144 405 Y CB -1.393 37.019 38.460 -0.081 0.000 0.995 405 Y HN 0.389 nan 8.280 nan 0.000 0.513 406 A N -0.085 122.827 122.820 0.154 0.000 1.948 406 A HA -0.295 4.025 4.320 0.001 0.000 0.220 406 A C 2.201 179.828 177.584 0.072 0.000 1.177 406 A CA 2.159 54.248 52.037 0.086 0.000 0.636 406 A CB -0.710 18.322 19.000 0.054 0.000 0.815 406 A HN 0.411 nan 8.150 nan 0.000 0.449 407 Q N -0.285 119.555 119.800 0.067 0.000 2.123 407 Q HA -0.053 4.288 4.340 0.001 0.000 0.199 407 Q C 1.887 177.930 176.000 0.071 0.000 0.966 407 Q CA 1.769 57.607 55.803 0.058 0.000 0.845 407 Q CB -0.554 28.210 28.738 0.042 0.000 0.907 407 Q HN 0.365 nan 8.270 nan 0.000 0.439 408 V N 0.462 120.430 119.914 0.090 0.000 2.287 408 V HA -0.281 3.840 4.120 0.001 0.000 0.248 408 V C 2.281 178.441 176.094 0.110 0.000 1.053 408 V CA 1.820 64.174 62.300 0.090 0.000 1.027 408 V CB -0.644 31.237 31.823 0.098 0.000 0.646 408 V HN 0.359 nan 8.190 nan 0.000 0.447 409 L N -0.780 120.522 121.223 0.132 0.000 2.046 409 L HA -0.185 4.156 4.340 0.001 0.000 0.208 409 L C 2.794 179.766 176.870 0.170 0.000 1.077 409 L CA 1.681 56.636 54.840 0.191 0.000 0.747 409 L CB -0.593 41.539 42.059 0.121 0.000 0.896 409 L HN 0.220 nan 8.230 nan 0.000 0.432 410 R N 0.029 120.589 120.500 0.099 0.000 2.083 410 R HA -0.168 4.172 4.340 0.001 0.000 0.237 410 R C 1.952 178.305 176.300 0.089 0.000 1.137 410 R CA 1.729 57.879 56.100 0.083 0.000 0.951 410 R CB -0.397 29.936 30.300 0.055 0.000 0.851 410 R HN 0.371 nan 8.270 nan 0.000 0.434 411 D N 0.107 120.553 120.400 0.076 0.000 2.221 411 D HA -0.115 4.525 4.640 0.001 0.000 0.204 411 D C 1.728 178.068 176.300 0.066 0.000 0.982 411 D CA 1.256 55.293 54.000 0.061 0.000 0.857 411 D CB -0.018 40.810 40.800 0.047 0.000 0.934 411 D HN 0.190 nan 8.370 nan 0.000 0.475 412 V N -2.336 117.631 119.914 0.087 0.000 3.510 412 V HA 0.329 4.449 4.120 0.001 0.000 0.270 412 V C 1.563 177.707 176.094 0.083 0.000 1.201 412 V CA 0.657 62.994 62.300 0.061 0.000 1.166 412 V CB -0.440 31.393 31.823 0.017 0.000 0.825 412 V HN 0.248 nan 8.190 nan 0.000 0.484 413 G N -0.811 108.070 108.800 0.134 0.000 2.148 413 G HA2 0.007 3.968 3.960 0.001 0.000 0.157 413 G HA3 0.007 3.968 3.960 0.001 0.000 0.157 413 G C 0.273 175.315 174.900 0.236 0.000 1.012 413 G CA -0.395 44.791 45.100 0.142 0.000 0.677 413 G HN 1.124 nan 8.290 nan 0.000 0.506 414 G N -0.569 108.407 108.800 0.294 0.000 2.437 414 G HA2 0.697 4.657 3.960 0.001 0.000 0.319 414 G HA3 0.697 4.657 3.960 0.001 0.000 0.319 414 G C -0.555 174.361 174.900 0.026 0.000 1.158 414 G CA -0.736 44.475 45.100 0.186 0.000 0.899 414 G HN 0.837 nan 8.290 nan 0.000 0.502 415 I N 1.240 121.783 120.570 -0.045 0.000 2.378 415 I HA 0.397 4.568 4.170 0.001 0.000 0.291 415 I C -0.259 175.802 176.117 -0.093 0.000 0.992 415 I CA -0.603 60.675 61.300 -0.036 0.000 1.154 415 I CB 1.949 39.949 38.000 -0.000 0.000 1.315 415 I HN 0.197 nan 8.210 nan 0.000 0.448 416 V N 8.464 128.339 119.914 -0.065 0.000 2.408 416 V HA 0.262 4.383 4.120 0.001 0.000 0.267 416 V C 0.499 176.560 176.094 -0.053 0.000 1.047 416 V CA -0.311 61.946 62.300 -0.071 0.000 0.937 416 V CB 0.467 32.267 31.823 -0.039 0.000 0.999 416 V HN 0.580 nan 8.190 nan 0.000 0.472 417 L N 3.730 124.911 121.223 -0.072 0.000 2.472 417 L HA 0.688 5.029 4.340 0.001 0.000 0.256 417 L C 0.998 177.841 176.870 -0.044 0.000 1.111 417 L CA -0.564 54.241 54.840 -0.058 0.000 0.800 417 L CB 0.513 42.519 42.059 -0.088 0.000 1.286 417 L HN 0.669 nan 8.230 nan 0.000 0.479 418 A N 0.314 123.114 122.820 -0.033 0.000 2.406 418 A HA 0.136 4.456 4.320 0.001 0.000 0.243 418 A C -0.123 177.437 177.584 -0.039 0.000 1.082 418 A CA -0.456 51.567 52.037 -0.024 0.000 0.786 418 A CB -0.141 18.853 19.000 -0.010 0.000 1.029 418 A HN 0.746 nan 8.150 nan 0.000 0.495 419 N N 1.033 119.714 118.700 -0.032 0.000 2.671 419 N HA 0.432 5.173 4.740 0.001 0.000 0.274 419 N C -0.293 175.182 175.510 -0.058 0.000 1.188 419 N CA 0.853 53.877 53.050 -0.044 0.000 1.065 419 N CB 0.095 38.565 38.487 -0.029 0.000 1.415 419 N HN 0.809 nan 8.380 nan 0.000 0.511 420 A N -0.367 122.405 122.820 -0.080 0.000 2.610 420 A HA 0.373 4.693 4.320 0.001 0.000 0.291 420 A C 0.823 178.311 177.584 -0.159 0.000 1.086 420 A CA -0.744 51.236 52.037 -0.095 0.000 0.677 420 A CB 0.248 19.213 19.000 -0.057 0.000 1.278 420 A HN 0.433 nan 8.150 nan 0.000 0.414 421 C N 0.087 119.252 119.300 -0.226 0.000 2.388 421 C HA 0.289 4.749 4.460 0.001 0.000 0.277 421 C C 2.456 177.263 174.990 -0.305 0.000 1.210 421 C CA 1.773 60.588 59.018 -0.339 0.000 1.743 421 C CB -1.665 25.762 27.740 -0.522 0.000 2.047 421 C HN 2.329 nan 8.230 nan 0.000 0.458 422 G N 0.788 109.458 108.800 -0.217 0.000 2.565 422 G HA2 -0.299 3.661 3.960 0.001 0.000 0.295 422 G HA3 -0.299 3.661 3.960 0.001 0.000 0.295 422 G C -1.248 173.558 174.900 -0.157 0.000 1.165 422 G CA 0.506 45.513 45.100 -0.154 0.000 0.977 422 G HN 0.277 nan 8.290 nan 0.000 0.546 423 P HA -0.103 nan 4.420 nan 0.000 0.217 423 P C 2.215 179.446 177.300 -0.115 0.000 1.148 423 P CA 2.170 65.142 63.100 -0.214 0.000 0.834 423 P CB -0.201 31.158 31.700 -0.569 0.000 0.783 424 C N -0.909 118.149 119.300 -0.402 0.000 2.446 424 C HA -0.081 4.379 4.460 0.001 0.000 0.277 424 C C 1.868 176.727 174.990 -0.218 0.000 1.275 424 C CA 0.618 59.320 59.018 -0.527 0.000 1.727 424 C CB -1.660 25.465 27.740 -1.025 0.000 2.010 424 C HN 0.116 nan 8.230 nan 0.000 0.486 425 I N 0.522 120.988 120.570 -0.173 0.000 3.864 425 I HA 0.385 4.556 4.170 0.001 0.000 0.326 425 I C 1.346 177.482 176.117 0.033 0.000 1.444 425 I CA 0.856 62.124 61.300 -0.053 0.000 1.195 425 I CB -0.889 37.081 38.000 -0.051 0.000 1.124 425 I HN 0.331 nan 8.210 nan 0.000 0.407 426 G N 1.112 109.956 108.800 0.073 0.000 2.198 426 G HA2 -0.239 3.722 3.960 0.001 0.000 0.257 426 G HA3 -0.239 3.722 3.960 0.001 0.000 0.257 426 G C 0.239 175.229 174.900 0.151 0.000 1.042 426 G CA -0.293 44.904 45.100 0.161 0.000 0.791 426 G HN 0.465 nan 8.290 nan 0.000 0.502 427 Q N -0.983 118.882 119.800 0.107 0.000 3.008 427 Q HA 0.345 4.685 4.340 0.001 0.000 0.307 427 Q C -0.525 175.587 176.000 0.187 0.000 1.273 427 Q CA -0.325 55.537 55.803 0.099 0.000 1.091 427 Q CB 0.638 29.395 28.738 0.031 0.000 1.393 427 Q HN 0.517 nan 8.270 nan 0.000 0.521 428 W N 1.413 122.711 121.300 -0.005 0.000 2.915 428 W HA 0.291 4.952 4.660 0.001 0.000 0.337 428 W C -1.297 175.224 176.519 0.004 0.000 1.102 428 W CA -1.508 55.840 57.345 0.006 0.000 1.224 428 W CB 1.483 30.956 29.460 0.022 0.000 1.416 428 W HN 0.136 nan 8.180 nan 0.000 0.503 429 D N 3.997 124.535 120.400 0.229 0.000 2.540 429 D HA 0.191 4.831 4.640 0.001 0.000 0.251 429 D C -0.457 175.731 176.300 -0.188 0.000 1.159 429 D CA -0.383 53.612 54.000 -0.008 0.000 0.974 429 D CB 0.102 40.929 40.800 0.045 0.000 0.996 429 D HN 0.304 nan 8.370 nan 0.000 0.512 430 R N 1.879 122.043 120.500 -0.560 0.000 2.267 430 R HA 0.291 4.632 4.340 0.001 0.000 0.319 430 R C 0.287 176.374 176.300 -0.356 0.000 1.067 430 R CA 0.087 55.730 56.100 -0.762 0.000 0.936 430 R CB 0.469 29.945 30.300 -1.372 0.000 1.006 430 R HN 0.105 nan 8.270 nan 0.000 0.452 431 K N 2.804 123.080 120.400 -0.207 0.000 2.483 431 K HA 0.022 4.342 4.320 0.001 0.000 0.206 431 K C -0.069 176.481 176.600 -0.084 0.000 1.086 431 K CA 0.143 56.356 56.287 -0.124 0.000 1.052 431 K CB 0.880 33.337 32.500 -0.072 0.000 0.904 431 K HN 0.749 nan 8.250 nan 0.000 0.557 432 D N 1.230 121.580 120.400 -0.084 0.000 2.371 432 D HA -0.070 4.570 4.640 0.001 0.000 0.221 432 D C 0.589 176.864 176.300 -0.040 0.000 0.986 432 D CA 0.335 54.311 54.000 -0.039 0.000 0.899 432 D CB -0.214 40.582 40.800 -0.007 0.000 0.902 432 D HN 0.218 nan 8.370 nan 0.000 0.530 433 I N -2.384 118.146 120.570 -0.066 0.000 2.689 433 I HA 0.465 4.635 4.170 0.001 0.000 0.299 433 I C -0.426 175.667 176.117 -0.040 0.000 1.059 433 I CA -1.830 59.446 61.300 -0.039 0.000 1.055 433 I CB 1.873 39.854 38.000 -0.031 0.000 1.243 433 I HN -0.275 nan 8.210 nan 0.000 0.425 434 K N 2.552 122.941 120.400 -0.017 0.000 2.126 434 K HA 0.507 4.827 4.320 0.001 0.000 0.257 434 K C -0.234 176.361 176.600 -0.009 0.000 1.007 434 K CA -0.555 55.723 56.287 -0.015 0.000 0.928 434 K CB 0.666 33.165 32.500 -0.002 0.000 1.013 434 K HN 0.518 nan 8.250 nan 0.000 0.473 435 K N 0.356 120.751 120.400 -0.007 0.000 2.319 435 K HA 0.235 4.556 4.320 0.001 0.000 0.265 435 K C 0.922 177.538 176.600 0.026 0.000 1.000 435 K CA 1.619 57.910 56.287 0.006 0.000 0.943 435 K CB 0.279 32.785 32.500 0.009 0.000 0.950 435 K HN 0.834 nan 8.250 nan 0.000 0.485 436 G N 1.337 110.164 108.800 0.044 0.000 2.184 436 G HA2 -0.314 3.646 3.960 0.001 0.000 0.264 436 G HA3 -0.314 3.646 3.960 0.001 0.000 0.264 436 G C -0.004 174.936 174.900 0.067 0.000 0.975 436 G CA 0.457 45.593 45.100 0.058 0.000 0.642 436 G HN 0.606 nan 8.290 nan 0.000 0.536 437 E N 0.602 120.836 120.200 0.057 0.000 2.313 437 E HA 0.396 4.747 4.350 0.001 0.000 0.276 437 E C 0.229 176.887 176.600 0.097 0.000 1.031 437 E CA -0.560 55.877 56.400 0.062 0.000 0.857 437 E CB 0.408 30.130 29.700 0.037 0.000 1.040 437 E HN 0.269 nan 8.360 nan 0.000 0.408 438 K N 4.195 124.664 120.400 0.115 0.000 2.227 438 K HA 0.144 4.465 4.320 0.001 0.000 0.280 438 K C -0.708 175.972 176.600 0.133 0.000 1.041 438 K CA -0.393 55.998 56.287 0.174 0.000 0.905 438 K CB 0.414 33.016 32.500 0.169 0.000 1.068 438 K HN 0.596 nan 8.250 nan 0.000 0.470 439 N N 1.343 120.149 118.700 0.178 0.000 2.927 439 N HA 0.187 4.927 4.740 0.001 0.000 0.248 439 N C -1.693 173.917 175.510 0.166 0.000 1.443 439 N CA -0.664 52.461 53.050 0.124 0.000 0.870 439 N CB 1.791 40.335 38.487 0.095 0.000 1.444 439 N HN 0.237 nan 8.380 nan 0.000 0.519 440 T N 1.147 115.779 114.554 0.131 0.000 2.792 440 T HA 0.566 4.916 4.350 0.001 0.000 0.280 440 T C -0.004 174.784 174.700 0.147 0.000 0.990 440 T CA -0.665 61.541 62.100 0.175 0.000 0.960 440 T CB 0.212 69.156 68.868 0.126 0.000 0.939 440 T HN 0.511 nan 8.240 nan 0.000 0.439 441 I N 1.427 122.100 120.570 0.172 0.000 2.441 441 I HA 0.855 5.025 4.170 0.001 0.000 0.295 441 I C -0.336 175.851 176.117 0.117 0.000 0.994 441 I CA -1.332 60.053 61.300 0.141 0.000 1.144 441 I CB 1.667 39.776 38.000 0.182 0.000 1.314 441 I HN 0.345 nan 8.210 nan 0.000 0.445 442 V N 2.335 122.281 119.914 0.054 0.000 2.459 442 V HA 0.825 4.946 4.120 0.001 0.000 0.295 442 V C 0.223 176.260 176.094 -0.095 0.000 1.029 442 V CA -0.012 62.305 62.300 0.029 0.000 0.874 442 V CB 0.869 32.697 31.823 0.009 0.000 0.985 442 V HN 0.992 nan 8.190 nan 0.000 0.438 443 T N 0.454 114.896 114.554 -0.187 0.000 2.930 443 T HA 0.561 4.912 4.350 0.001 0.000 0.290 443 T C 0.547 175.062 174.700 -0.308 0.000 1.052 443 T CA 0.041 61.862 62.100 -0.463 0.000 1.017 443 T CB 1.768 70.053 68.868 -0.972 0.000 1.137 443 T HN 1.399 nan 8.240 nan 0.000 0.511 444 S N 0.491 115.998 115.700 -0.322 0.000 2.602 444 S HA 0.285 4.756 4.470 0.001 0.000 0.246 444 S C -0.095 174.526 174.600 0.036 0.000 1.009 444 S CA -0.712 57.433 58.200 -0.092 0.000 1.052 444 S CB -0.953 62.232 63.200 -0.024 0.000 0.778 444 S HN 0.607 nan 8.310 nan 0.000 0.455 445 Y N 3.175 123.428 120.300 -0.078 0.000 2.677 445 Y HA 0.381 4.931 4.550 0.001 0.000 0.428 445 Y C 1.807 177.632 175.900 -0.125 0.000 1.390 445 Y CA -0.974 57.056 58.100 -0.118 0.000 1.815 445 Y CB -0.298 38.086 38.460 -0.127 0.000 1.738 445 Y HN 0.498 nan 8.280 nan 0.000 0.662 446 N N -0.994 117.727 118.700 0.035 0.000 2.663 446 N HA 0.166 4.906 4.740 0.001 0.000 0.250 446 N C -0.391 175.065 175.510 -0.091 0.000 1.043 446 N CA -0.204 52.819 53.050 -0.046 0.000 0.929 446 N CB 0.174 38.591 38.487 -0.117 0.000 1.665 446 N HN 0.189 nan 8.380 nan 0.000 0.484 447 R N 0.477 120.884 120.500 -0.155 0.000 2.500 447 R HA 0.417 4.757 4.340 0.001 0.000 0.277 447 R C -0.568 175.535 176.300 -0.328 0.000 1.026 447 R CA -0.268 55.580 56.100 -0.420 0.000 1.058 447 R CB 0.539 30.463 30.300 -0.627 0.000 1.078 447 R HN 0.498 nan 8.270 nan 0.000 0.509 448 N N 0.887 119.322 118.700 -0.441 0.000 2.471 448 N HA 0.049 4.789 4.740 0.001 0.000 0.270 448 N C -1.067 174.419 175.510 -0.040 0.000 1.490 448 N CA -0.325 52.596 53.050 -0.216 0.000 0.850 448 N CB 0.115 38.458 38.487 -0.239 0.000 1.411 448 N HN 0.176 nan 8.380 nan 0.000 0.488 449 F N 1.730 121.704 119.950 0.040 0.000 2.595 449 F HA 0.163 4.691 4.527 0.001 0.000 0.359 449 F C 1.432 177.293 175.800 0.102 0.000 1.147 449 F CA -0.454 57.607 58.000 0.102 0.000 1.341 449 F CB -0.175 38.879 39.000 0.089 0.000 1.104 449 F HN -0.127 nan 8.300 nan 0.000 0.603 450 T N 2.577 117.372 114.554 0.403 0.000 2.709 450 T HA 0.294 4.645 4.350 0.001 0.000 0.269 450 T C 1.123 175.905 174.700 0.137 0.000 1.008 450 T CA 1.198 63.483 62.100 0.308 0.000 1.194 450 T CB -0.452 68.516 68.868 0.168 0.000 0.986 450 T HN 1.094 nan 8.240 nan 0.000 0.508 451 G N 3.328 112.218 108.800 0.150 0.000 2.155 451 G HA2 -0.337 3.624 3.960 0.001 0.000 0.257 451 G HA3 -0.337 3.624 3.960 0.001 0.000 0.257 451 G C 0.955 175.921 174.900 0.109 0.000 0.983 451 G CA 0.573 45.737 45.100 0.107 0.000 0.676 451 G HN 0.711 nan 8.290 nan 0.000 0.528 452 R N 0.052 120.627 120.500 0.124 0.000 2.153 452 R HA 0.029 4.369 4.340 0.001 0.000 0.218 452 R C 2.176 178.564 176.300 0.147 0.000 1.072 452 R CA 1.636 57.814 56.100 0.130 0.000 0.990 452 R CB -0.210 30.173 30.300 0.138 0.000 0.889 452 R HN 0.567 nan 8.270 nan 0.000 0.452 453 N N -0.062 118.748 118.700 0.184 0.000 2.405 453 N HA -0.066 4.674 4.740 0.001 0.000 0.175 453 N C -0.251 175.481 175.510 0.370 0.000 1.051 453 N CA 0.991 54.218 53.050 0.295 0.000 0.899 453 N CB 0.539 39.258 38.487 0.388 0.000 1.000 453 N HN 0.293 nan 8.380 nan 0.000 0.451 454 D N -1.290 119.229 120.400 0.199 0.000 2.615 454 D HA 0.265 4.905 4.640 0.001 0.000 0.274 454 D C 0.311 176.630 176.300 0.032 0.000 1.512 454 D CA -0.200 53.836 54.000 0.060 0.000 0.803 454 D CB -0.465 40.252 40.800 -0.139 0.000 1.182 454 D HN 0.017 nan 8.370 nan 0.000 0.473 455 A N 0.381 123.249 122.820 0.079 0.000 2.790 455 A HA -0.310 4.010 4.320 0.001 0.000 0.277 455 A C 0.304 177.924 177.584 0.061 0.000 1.435 455 A CA 1.149 53.233 52.037 0.078 0.000 0.877 455 A CB -2.485 16.562 19.000 0.079 0.000 1.007 455 A HN 0.492 nan 8.150 nan 0.000 0.613 456 N N -0.366 118.367 118.700 0.054 0.000 2.469 456 N HA 0.457 5.197 4.740 0.001 0.000 0.253 456 N C -1.030 174.536 175.510 0.094 0.000 0.970 456 N CA -2.076 51.008 53.050 0.057 0.000 0.940 456 N CB 1.202 39.709 38.487 0.033 0.000 1.128 456 N HN 0.094 nan 8.380 nan 0.000 0.503 457 P HA -0.107 nan 4.420 nan 0.000 0.221 457 P C 0.237 177.657 177.300 0.200 0.000 1.145 457 P CA 1.033 64.217 63.100 0.141 0.000 0.795 457 P CB 0.532 32.282 31.700 0.083 0.000 0.775 458 E N -0.459 119.843 120.200 0.171 0.000 2.445 458 E HA 0.062 4.413 4.350 0.001 0.000 0.189 458 E C 0.038 176.792 176.600 0.258 0.000 1.069 458 E CA 0.246 56.786 56.400 0.233 0.000 0.871 458 E CB -0.275 29.549 29.700 0.207 0.000 0.991 458 E HN 0.149 nan 8.360 nan 0.000 0.481 459 T N 0.866 115.509 114.554 0.149 0.000 2.780 459 T HA 0.160 4.511 4.350 0.001 0.000 0.294 459 T C -0.461 174.155 174.700 -0.140 0.000 0.949 459 T CA -0.246 61.911 62.100 0.095 0.000 1.074 459 T CB 0.216 69.124 68.868 0.066 0.000 0.910 459 T HN 0.048 nan 8.240 nan 0.000 0.501 460 H N 1.900 120.889 119.070 -0.135 0.000 2.690 460 H HA 0.543 5.099 4.556 0.001 0.000 0.289 460 H C 0.097 175.251 175.328 -0.288 0.000 1.089 460 H CA -0.265 55.553 56.048 -0.385 0.000 1.299 460 H CB 0.480 30.209 29.762 -0.055 0.000 1.405 460 H HN 0.691 nan 8.280 nan 0.000 0.463 461 A N 4.183 126.717 122.820 -0.477 0.000 2.288 461 A HA 0.538 4.859 4.320 0.001 0.000 0.320 461 A C -1.051 176.287 177.584 -0.410 0.000 1.217 461 A CA -0.574 51.317 52.037 -0.243 0.000 0.840 461 A CB 0.102 18.992 19.000 -0.184 0.000 1.179 461 A HN 0.492 nan 8.150 nan 0.000 0.504 462 F N 2.244 122.101 119.950 -0.154 0.000 2.427 462 F HA 0.466 4.994 4.527 0.001 0.000 0.346 462 F C 0.557 176.294 175.800 -0.106 0.000 1.120 462 F CA -0.693 57.233 58.000 -0.123 0.000 1.033 462 F CB 2.008 40.966 39.000 -0.070 0.000 1.126 462 F HN 0.489 nan 8.300 nan 0.000 0.462 463 V N 0.464 120.392 119.914 0.024 0.000 2.567 463 V HA 0.894 5.015 4.120 0.001 0.000 0.289 463 V C -0.200 175.919 176.094 0.042 0.000 1.049 463 V CA -0.043 62.257 62.300 -0.001 0.000 0.969 463 V CB 1.242 33.048 31.823 -0.028 0.000 0.995 463 V HN 0.888 nan 8.190 nan 0.000 0.471 464 T N 2.059 116.626 114.554 0.022 0.000 2.630 464 T HA 0.521 4.871 4.350 0.001 0.000 0.300 464 T C -0.276 174.443 174.700 0.031 0.000 1.261 464 T CA 0.176 62.302 62.100 0.044 0.000 1.060 464 T CB 1.350 70.249 68.868 0.052 0.000 1.670 464 T HN 1.543 nan 8.240 nan 0.000 0.473 465 S N 1.562 117.291 115.700 0.049 0.000 2.616 465 S HA 0.493 4.963 4.470 0.001 0.000 0.277 465 S C -1.801 172.834 174.600 0.058 0.000 1.234 465 S CA -1.066 57.165 58.200 0.052 0.000 1.028 465 S CB 1.290 64.534 63.200 0.073 0.000 0.988 465 S HN 0.622 nan 8.310 nan 0.000 0.522 466 P HA -0.200 nan 4.420 nan 0.000 0.217 466 P C 1.251 178.614 177.300 0.105 0.000 1.148 466 P CA 1.386 64.524 63.100 0.063 0.000 0.828 466 P CB -0.010 31.711 31.700 0.035 0.000 0.783 467 E N -0.449 119.825 120.200 0.122 0.000 2.158 467 E HA -0.081 4.269 4.350 0.001 0.000 0.191 467 E C 2.051 178.808 176.600 0.262 0.000 0.982 467 E CA 0.783 57.301 56.400 0.197 0.000 0.823 467 E CB -0.858 28.967 29.700 0.208 0.000 0.766 467 E HN 0.215 nan 8.360 nan 0.000 0.468 468 I N 1.536 122.216 120.570 0.184 0.000 2.333 468 I HA -0.135 4.036 4.170 0.001 0.000 0.246 468 I C 2.604 178.753 176.117 0.052 0.000 1.106 468 I CA 0.436 61.786 61.300 0.083 0.000 1.411 468 I CB -0.785 37.234 38.000 0.032 0.000 1.082 468 I HN -0.050 nan 8.210 nan 0.000 0.420 469 V N 1.170 121.122 119.914 0.063 0.000 2.252 469 V HA -0.330 3.791 4.120 0.001 0.000 0.249 469 V C 2.595 178.724 176.094 0.058 0.000 1.056 469 V CA 2.560 64.895 62.300 0.059 0.000 1.022 469 V CB -1.219 30.652 31.823 0.080 0.000 0.641 469 V HN 0.427 nan 8.190 nan 0.000 0.445 470 T N 0.333 114.944 114.554 0.094 0.000 2.684 470 T HA -0.213 4.138 4.350 0.001 0.000 0.267 470 T C 2.038 176.669 174.700 -0.114 0.000 1.036 470 T CA 1.739 63.810 62.100 -0.048 0.000 1.148 470 T CB -0.523 68.386 68.868 0.070 0.000 0.863 470 T HN 0.597 nan 8.240 nan 0.000 0.436 471 A N 1.171 124.007 122.820 0.027 0.000 1.902 471 A HA 0.018 4.338 4.320 0.001 0.000 0.217 471 A C 2.333 179.910 177.584 -0.011 0.000 1.181 471 A CA 1.200 53.272 52.037 0.058 0.000 0.623 471 A CB -0.798 18.273 19.000 0.118 0.000 0.818 471 A HN 0.480 nan 8.150 nan 0.000 0.443 472 L N -1.055 120.168 121.223 0.000 0.000 2.109 472 L HA -0.123 4.218 4.340 0.001 0.000 0.207 472 L C 3.052 179.849 176.870 -0.121 0.000 1.086 472 L CA 0.898 55.724 54.840 -0.023 0.000 0.760 472 L CB -0.576 41.478 42.059 -0.007 0.000 0.910 472 L HN 0.444 nan 8.230 nan 0.000 0.437 473 A N 0.287 123.016 122.820 -0.152 0.000 1.972 473 A HA -0.160 4.161 4.320 0.001 0.000 0.219 473 A C 2.194 179.629 177.584 -0.249 0.000 1.169 473 A CA 1.321 53.239 52.037 -0.198 0.000 0.635 473 A CB -0.536 18.271 19.000 -0.322 0.000 0.810 473 A HN 0.351 nan 8.150 nan 0.000 0.446 474 I N -0.649 119.749 120.570 -0.287 0.000 2.315 474 I HA -0.222 3.948 4.170 0.001 0.000 0.248 474 I C 2.810 178.745 176.117 -0.305 0.000 1.117 474 I CA 1.046 62.188 61.300 -0.264 0.000 1.404 474 I CB -0.142 37.721 38.000 -0.229 0.000 1.071 474 I HN 0.359 nan 8.210 nan 0.000 0.419 475 A N -0.048 122.522 122.820 -0.418 0.000 2.021 475 A HA 0.173 4.493 4.320 0.001 0.000 0.216 475 A C 2.040 179.454 177.584 -0.284 0.000 1.163 475 A CA 0.998 52.717 52.037 -0.529 0.000 0.676 475 A CB -0.629 17.800 19.000 -0.951 0.000 0.818 475 A HN 0.525 nan 8.150 nan 0.000 0.453 476 G N -1.699 106.985 108.800 -0.194 0.000 2.168 476 G HA2 -0.218 3.743 3.960 0.001 0.000 0.263 476 G HA3 -0.218 3.743 3.960 0.001 0.000 0.263 476 G C 0.435 175.285 174.900 -0.085 0.000 0.977 476 G CA 1.180 46.211 45.100 -0.114 0.000 0.659 476 G HN 1.412 nan 8.290 nan 0.000 0.533 477 T N -1.333 113.170 114.554 -0.086 0.000 2.916 477 T HA 0.584 4.935 4.350 0.001 0.000 0.305 477 T C 1.309 175.990 174.700 -0.033 0.000 1.119 477 T CA -0.298 61.770 62.100 -0.053 0.000 1.008 477 T CB 1.252 70.096 68.868 -0.041 0.000 1.129 477 T HN 0.207 nan 8.240 nan 0.000 0.480 478 L N 2.214 123.396 121.223 -0.068 0.000 2.291 478 L HA 0.201 4.542 4.340 0.001 0.000 0.214 478 L C 1.410 178.242 176.870 -0.062 0.000 1.120 478 L CA 0.791 55.569 54.840 -0.103 0.000 0.799 478 L CB -0.106 41.840 42.059 -0.189 0.000 0.925 478 L HN 0.510 nan 8.230 nan 0.000 0.446 479 K N 1.106 121.488 120.400 -0.030 0.000 2.278 479 K HA 0.162 4.483 4.320 0.001 0.000 0.237 479 K C -1.009 175.629 176.600 0.063 0.000 1.229 479 K CA 0.039 56.315 56.287 -0.017 0.000 1.155 479 K CB -0.254 32.236 32.500 -0.018 0.000 1.590 479 K HN -0.073 nan 8.250 nan 0.000 0.290 480 F N 1.746 121.616 119.950 -0.134 0.000 2.749 480 F HA 0.188 4.715 4.527 0.001 0.000 0.339 480 F C -1.710 173.978 175.800 -0.186 0.000 1.211 480 F CA -1.225 56.685 58.000 -0.150 0.000 1.099 480 F CB 1.162 40.069 39.000 -0.155 0.000 1.359 480 F HN 0.100 nan 8.300 nan 0.000 0.549 481 N N 7.904 126.072 118.700 -0.888 0.000 2.444 481 N HA 0.501 5.241 4.740 0.001 0.000 0.262 481 N C -2.428 172.345 175.510 -1.227 0.000 0.974 481 N CA -2.615 49.948 53.050 -0.811 0.000 0.933 481 N CB 2.436 40.640 38.487 -0.472 0.000 1.137 481 N HN 0.261 nan 8.380 nan 0.000 0.498 482 P HA -0.062 nan 4.420 nan 0.000 0.217 482 P C 0.640 177.498 177.300 -0.737 0.000 1.150 482 P CA 1.163 63.626 63.100 -1.062 0.000 0.832 482 P CB 0.490 31.474 31.700 -1.194 0.000 0.787 483 E N -0.911 118.848 120.200 -0.735 0.000 2.077 483 E HA -0.136 4.214 4.350 0.001 0.000 0.193 483 E C 1.867 178.318 176.600 -0.250 0.000 0.989 483 E CA 2.021 58.194 56.400 -0.379 0.000 0.800 483 E CB -0.428 29.093 29.700 -0.298 0.000 0.746 483 E HN 0.405 nan 8.360 nan 0.000 0.452 484 T N -1.301 113.072 114.554 -0.301 0.000 3.021 484 T HA 0.005 4.356 4.350 0.001 0.000 0.245 484 T C 0.742 175.363 174.700 -0.133 0.000 1.028 484 T CA -0.004 61.993 62.100 -0.171 0.000 1.139 484 T CB 0.069 68.850 68.868 -0.145 0.000 0.884 484 T HN -0.162 nan 8.240 nan 0.000 0.457 485 D N 0.902 121.136 120.400 -0.276 0.000 2.312 485 D HA 0.423 5.064 4.640 0.001 0.000 0.248 485 D C -1.171 175.057 176.300 -0.120 0.000 1.086 485 D CA -0.476 53.467 54.000 -0.095 0.000 0.948 485 D CB 0.774 41.468 40.800 -0.177 0.000 1.162 485 D HN 0.200 nan 8.370 nan 0.000 0.446 486 F N 1.019 120.958 119.950 -0.019 0.000 2.388 486 F HA 0.214 4.741 4.527 0.001 0.000 0.358 486 F C 0.281 175.982 175.800 -0.164 0.000 1.122 486 F CA -0.781 57.156 58.000 -0.105 0.000 1.056 486 F CB 0.806 39.750 39.000 -0.093 0.000 1.155 486 F HN -0.018 nan 8.300 nan 0.000 0.461 487 L N 2.275 123.266 121.223 -0.387 0.000 2.454 487 L HA 0.520 4.860 4.340 0.001 0.000 0.256 487 L C 0.266 176.937 176.870 -0.331 0.000 1.136 487 L CA -0.111 54.425 54.840 -0.507 0.000 0.804 487 L CB 1.282 42.788 42.059 -0.920 0.000 1.181 487 L HN 0.482 nan 8.230 nan 0.000 0.469 488 T N 1.029 115.549 114.554 -0.057 0.000 2.786 488 T HA 0.606 4.957 4.350 0.001 0.000 0.283 488 T C 0.261 175.141 174.700 0.300 0.000 0.992 488 T CA -0.549 61.635 62.100 0.139 0.000 0.954 488 T CB 1.345 70.261 68.868 0.081 0.000 0.934 488 T HN 0.762 nan 8.240 nan 0.000 0.440 489 G N 1.220 110.274 108.800 0.424 0.000 2.588 489 G HA2 0.253 4.213 3.960 0.001 0.000 0.278 489 G HA3 0.253 4.213 3.960 0.001 0.000 0.278 489 G C 1.013 176.019 174.900 0.177 0.000 1.307 489 G CA -0.449 44.844 45.100 0.321 0.000 1.016 489 G HN 0.750 nan 8.290 nan 0.000 0.503 490 K N -0.488 119.985 120.400 0.121 0.000 2.057 490 K HA -0.146 4.174 4.320 0.001 0.000 0.207 490 K C 1.961 178.596 176.600 0.059 0.000 1.049 490 K CA 2.033 58.361 56.287 0.069 0.000 0.931 490 K CB -0.120 32.403 32.500 0.038 0.000 0.714 490 K HN 0.564 nan 8.250 nan 0.000 0.440 491 D N -1.159 119.279 120.400 0.065 0.000 2.310 491 D HA -0.076 4.564 4.640 0.001 0.000 0.212 491 D C 1.241 177.580 176.300 0.065 0.000 0.965 491 D CA 1.275 55.307 54.000 0.053 0.000 0.879 491 D CB 0.005 40.833 40.800 0.047 0.000 0.921 491 D HN 0.519 nan 8.370 nan 0.000 0.510 492 G N 0.079 108.930 108.800 0.086 0.000 2.195 492 G HA2 -0.255 3.705 3.960 0.001 0.000 0.224 492 G HA3 -0.255 3.705 3.960 0.001 0.000 0.224 492 G C 0.121 175.083 174.900 0.104 0.000 0.990 492 G CA 0.038 45.185 45.100 0.078 0.000 0.639 492 G HN 0.453 nan 8.290 nan 0.000 0.514 493 K N 1.266 121.753 120.400 0.146 0.000 2.201 493 K HA 0.453 4.773 4.320 0.001 0.000 0.278 493 K C 0.164 176.925 176.600 0.269 0.000 1.027 493 K CA -0.747 55.648 56.287 0.180 0.000 0.909 493 K CB 0.918 33.528 32.500 0.183 0.000 1.062 493 K HN -0.036 nan 8.250 nan 0.000 0.465 494 K N 3.416 123.958 120.400 0.237 0.000 2.350 494 K HA 0.193 4.514 4.320 0.001 0.000 0.279 494 K C -0.127 176.754 176.600 0.469 0.000 1.027 494 K CA 0.051 56.525 56.287 0.311 0.000 0.969 494 K CB 0.118 32.743 32.500 0.209 0.000 0.954 494 K HN 0.489 nan 8.250 nan 0.000 0.474 495 F N -1.050 119.017 119.950 0.194 0.000 2.626 495 F HA 0.616 5.143 4.527 0.000 0.000 0.311 495 F C -0.676 174.922 175.800 -0.337 0.000 1.088 495 F CA -1.279 56.696 58.000 -0.041 0.000 0.949 495 F CB 1.586 40.374 39.000 -0.352 0.000 1.322 495 F HN 0.247 nan 8.300 nan 0.000 0.461 496 K N 1.868 121.979 120.400 -0.482 0.000 2.259 496 K HA 0.598 4.918 4.320 0.001 0.000 0.249 496 K C -1.524 174.968 176.600 -0.178 0.000 0.942 496 K CA -0.993 54.862 56.287 -0.721 0.000 0.816 496 K CB 1.730 33.632 32.500 -0.996 0.000 1.155 496 K HN 0.700 nan 8.250 nan 0.000 0.428 497 L N 3.400 124.581 121.223 -0.071 0.000 2.410 497 L HA 0.085 4.426 4.340 0.001 0.000 0.273 497 L C 0.603 177.605 176.870 0.219 0.000 1.152 497 L CA 0.453 55.402 54.840 0.182 0.000 0.855 497 L CB 0.637 42.891 42.059 0.325 0.000 1.129 497 L HN 0.627 nan 8.230 nan 0.000 0.463 498 E N 3.904 124.186 120.200 0.136 0.000 2.373 498 E HA 0.289 4.639 4.350 0.001 0.000 0.267 498 E C -0.677 175.819 176.600 -0.173 0.000 1.032 498 E CA -0.618 55.795 56.400 0.021 0.000 0.889 498 E CB 1.246 30.939 29.700 -0.012 0.000 0.984 498 E HN 0.627 nan 8.360 nan 0.000 0.425 499 A N 5.664 128.244 122.820 -0.399 0.000 2.511 499 A HA 0.253 4.573 4.320 0.001 0.000 0.242 499 A C -1.991 175.113 177.584 -0.800 0.000 1.069 499 A CA -0.969 50.377 52.037 -1.150 0.000 0.763 499 A CB -0.229 18.276 19.000 -0.826 0.000 1.001 499 A HN 0.591 nan 8.150 nan 0.000 0.498 500 P HA 0.271 nan 4.420 nan 0.000 0.275 500 P C -1.044 176.077 177.300 -0.297 0.000 1.227 500 P CA 0.012 62.846 63.100 -0.443 0.000 0.781 500 P CB 1.192 32.659 31.700 -0.388 0.000 0.906 501 D N 1.017 121.295 120.400 -0.202 0.000 2.457 501 D HA 0.686 5.326 4.640 0.001 0.000 0.240 501 D C -1.488 174.742 176.300 -0.117 0.000 1.041 501 D CA -0.605 53.312 54.000 -0.139 0.000 0.861 501 D CB 1.634 42.373 40.800 -0.101 0.000 1.394 501 D HN 0.513 nan 8.370 nan 0.000 0.473 502 A N 2.374 125.143 122.820 -0.085 0.000 2.586 502 A HA 0.384 4.705 4.320 0.001 0.000 0.296 502 A C -1.553 176.029 177.584 -0.002 0.000 1.040 502 A CA -0.926 51.069 52.037 -0.069 0.000 0.701 502 A CB 0.918 19.822 19.000 -0.160 0.000 1.277 502 A HN 0.496 nan 8.150 nan 0.000 0.413 503 D N 1.489 121.934 120.400 0.075 0.000 2.399 503 D HA 0.185 4.825 4.640 0.001 0.000 0.241 503 D C 1.452 177.854 176.300 0.170 0.000 1.133 503 D CA 0.506 54.581 54.000 0.125 0.000 0.890 503 D CB 1.060 41.974 40.800 0.190 0.000 1.201 503 D HN 0.746 nan 8.370 nan 0.000 0.432 504 E N 1.289 121.562 120.200 0.121 0.000 2.158 504 E HA -0.035 4.316 4.350 0.001 0.000 0.191 504 E C 0.214 176.945 176.600 0.218 0.000 0.982 504 E CA 0.607 57.093 56.400 0.143 0.000 0.823 504 E CB 0.287 30.031 29.700 0.072 0.000 0.766 504 E HN 0.329 nan 8.360 nan 0.000 0.468 505 L N 0.946 122.216 121.223 0.078 0.000 2.327 505 L HA 0.476 4.816 4.340 0.001 0.000 0.258 505 L C -2.467 174.080 176.870 -0.539 0.000 1.024 505 L CA -3.093 51.605 54.840 -0.236 0.000 0.825 505 L CB 2.361 44.299 42.059 -0.202 0.000 1.386 505 L HN -0.094 nan 8.230 nan 0.000 0.417 506 P HA 0.126 nan 4.420 nan 0.000 0.269 506 P C -0.246 176.802 177.300 -0.419 0.000 1.209 506 P CA -0.147 62.432 63.100 -0.868 0.000 0.776 506 P CB 1.002 32.026 31.700 -1.126 0.000 0.876 507 R N 1.603 121.977 120.500 -0.209 0.000 2.075 507 R HA 0.002 4.342 4.340 0.001 0.000 0.232 507 R C 1.367 177.575 176.300 -0.154 0.000 1.126 507 R CA 1.238 57.256 56.100 -0.137 0.000 0.963 507 R CB -0.435 29.823 30.300 -0.069 0.000 0.858 507 R HN 0.605 nan 8.270 nan 0.000 0.435 508 A N 1.159 123.878 122.820 -0.169 0.000 2.267 508 A HA 0.154 4.474 4.320 0.001 0.000 0.271 508 A C -0.015 177.445 177.584 -0.208 0.000 1.131 508 A CA -0.510 51.438 52.037 -0.148 0.000 0.818 508 A CB 0.280 19.209 19.000 -0.118 0.000 1.118 508 A HN 0.011 nan 8.150 nan 0.000 0.501 509 E N -0.895 119.219 120.200 -0.143 0.000 2.376 509 E HA 0.310 4.661 4.350 0.001 0.000 0.254 509 E C -1.047 175.479 176.600 -0.123 0.000 1.213 509 E CA -0.157 56.166 56.400 -0.129 0.000 0.945 509 E CB 0.087 29.761 29.700 -0.044 0.000 1.057 509 E HN 0.372 nan 8.360 nan 0.000 0.479 510 F N 1.338 121.208 119.950 -0.132 0.000 2.456 510 F HA 0.027 4.555 4.527 0.001 0.000 0.358 510 F C 1.098 176.857 175.800 -0.068 0.000 1.095 510 F CA -0.082 57.842 58.000 -0.127 0.000 1.216 510 F CB 0.505 39.427 39.000 -0.130 0.000 1.125 510 F HN 0.086 nan 8.300 nan 0.000 0.549 511 D N 6.390 126.894 120.400 0.173 0.000 2.348 511 D HA 0.094 4.734 4.640 0.001 0.000 0.253 511 D C -1.619 174.745 176.300 0.106 0.000 1.161 511 D CA -1.892 52.169 54.000 0.103 0.000 0.876 511 D CB 1.578 42.423 40.800 0.074 0.000 1.160 511 D HN 0.223 nan 8.370 nan 0.000 0.459 512 P HA 0.082 nan 4.420 nan 0.000 0.231 512 P C 0.838 178.177 177.300 0.065 0.000 1.168 512 P CA 0.572 63.710 63.100 0.064 0.000 0.779 512 P CB 0.389 32.130 31.700 0.068 0.000 0.844 513 G N 1.079 109.915 108.800 0.060 0.000 2.539 513 G HA2 -0.223 3.737 3.960 0.001 0.000 0.256 513 G HA3 -0.223 3.737 3.960 0.001 0.000 0.256 513 G C -0.620 174.313 174.900 0.055 0.000 1.233 513 G CA 0.245 45.379 45.100 0.055 0.000 0.936 513 G HN 0.588 nan 8.290 nan 0.000 0.571 514 Q N 1.078 120.911 119.800 0.054 0.000 2.221 514 Q HA 0.528 4.869 4.340 0.001 0.000 0.242 514 Q C 0.332 176.371 176.000 0.065 0.000 0.940 514 Q CA -0.177 55.656 55.803 0.050 0.000 0.896 514 Q CB 0.807 29.568 28.738 0.037 0.000 1.226 514 Q HN 0.839 nan 8.270 nan 0.000 0.463 515 D N 1.053 121.484 120.400 0.052 0.000 2.520 515 D HA -0.064 4.576 4.640 0.001 0.000 0.243 515 D C -0.233 176.089 176.300 0.037 0.000 1.160 515 D CA 0.568 54.597 54.000 0.048 0.000 0.877 515 D CB 0.723 41.539 40.800 0.027 0.000 1.150 515 D HN 0.816 nan 8.370 nan 0.000 0.494 516 T N -0.263 114.314 114.554 0.038 0.000 3.009 516 T HA 0.001 4.351 4.350 0.001 0.000 0.267 516 T C 0.302 174.920 174.700 -0.137 0.000 0.942 516 T CA -0.452 61.659 62.100 0.020 0.000 0.883 516 T CB -0.359 68.602 68.868 0.157 0.000 1.192 516 T HN 0.449 nan 8.240 nan 0.000 0.524 517 Y N 3.112 123.090 120.300 -0.536 0.000 2.319 517 Y HA 0.542 5.092 4.550 0.001 0.000 0.328 517 Y C 0.096 175.710 175.900 -0.478 0.000 1.133 517 Y CA -1.089 56.429 58.100 -0.970 0.000 1.265 517 Y CB 0.907 38.430 38.460 -1.561 0.000 1.218 517 Y HN 0.157 nan 8.280 nan 0.000 0.508 518 Q N 5.973 125.099 119.800 -1.124 0.000 2.339 518 Q HA 0.224 4.564 4.340 0.001 0.000 0.268 518 Q C -1.463 173.965 176.000 -0.953 0.000 1.027 518 Q CA -0.684 54.693 55.803 -0.709 0.000 0.759 518 Q CB 0.626 29.206 28.738 -0.263 0.000 1.244 518 Q HN 0.853 nan 8.270 nan 0.000 0.464 519 H N 4.654 123.292 119.070 -0.720 0.000 2.629 519 H HA 0.280 4.837 4.556 0.001 0.000 0.357 519 H C -2.016 173.177 175.328 -0.225 0.000 1.121 519 H CA -1.443 54.361 56.048 -0.407 0.000 1.406 519 H CB 1.216 30.953 29.762 -0.041 0.000 1.456 519 H HN 0.594 nan 8.280 nan 0.000 0.579 520 P HA 0.033 nan 4.420 nan 0.000 0.266 520 P C -2.699 174.535 177.300 -0.109 0.000 1.195 520 P CA -1.179 61.766 63.100 -0.259 0.000 0.768 520 P CB -0.086 31.450 31.700 -0.272 0.000 0.838 521 P HA 0.096 nan 4.420 nan 0.000 0.270 521 P C -0.079 177.195 177.300 -0.043 0.000 1.242 521 P CA 0.184 63.257 63.100 -0.045 0.000 0.768 521 P CB 0.403 32.062 31.700 -0.068 0.000 0.820 522 K N 4.234 124.632 120.400 -0.004 0.000 2.901 522 K HA 0.197 4.518 4.320 0.001 0.000 0.199 522 K C 0.251 176.838 176.600 -0.021 0.000 1.140 522 K CA -0.073 56.203 56.287 -0.018 0.000 1.030 522 K CB 0.666 33.165 32.500 -0.001 0.000 1.437 522 K HN 0.646 nan 8.250 nan 0.000 0.552 523 D N -2.698 117.684 120.400 -0.030 0.000 4.512 523 D HA 0.071 4.711 4.640 0.001 0.000 0.329 523 D C 0.708 176.981 176.300 -0.045 0.000 1.683 523 D CA -0.487 53.494 54.000 -0.032 0.000 0.980 523 D CB -0.046 40.739 40.800 -0.024 0.000 1.476 523 D HN -0.111 nan 8.370 nan 0.000 0.668 524 S N 0.573 116.244 115.700 -0.048 0.000 2.068 524 S HA -0.343 4.127 4.470 0.001 0.000 0.498 524 S C 1.165 175.718 174.600 -0.079 0.000 0.963 524 S CA 3.632 61.796 58.200 -0.060 0.000 3.049 524 S CB -1.426 61.737 63.200 -0.062 0.000 2.163 524 S HN 0.805 nan 8.310 nan 0.000 0.541 525 S N 0.084 115.722 115.700 -0.102 0.000 3.270 525 S HA -0.211 4.259 4.470 0.001 0.000 0.330 525 S C 0.618 175.133 174.600 -0.141 0.000 1.222 525 S CA 0.725 58.841 58.200 -0.139 0.000 0.971 525 S CB -1.790 61.323 63.200 -0.144 0.000 1.007 525 S HN 1.112 nan 8.310 nan 0.000 0.614 526 G N -0.012 108.724 108.800 -0.107 0.000 3.639 526 G HA2 0.446 4.406 3.960 0.001 0.000 0.279 526 G HA3 0.446 4.406 3.960 0.001 0.000 0.279 526 G C -0.047 174.800 174.900 -0.089 0.000 1.312 526 G CA -0.358 44.688 45.100 -0.089 0.000 1.355 526 G HN 0.416 nan 8.290 nan 0.000 0.595 527 Q N 0.032 119.762 119.800 -0.117 0.000 2.205 527 Q HA 0.594 4.934 4.340 0.001 0.000 0.249 527 Q C 0.221 176.161 176.000 -0.101 0.000 0.948 527 Q CA -0.186 55.551 55.803 -0.111 0.000 0.895 527 Q CB 1.626 30.278 28.738 -0.143 0.000 1.249 527 Q HN 0.276 nan 8.270 nan 0.000 0.458 528 R N 0.255 120.713 120.500 -0.069 0.000 2.514 528 R HA 0.556 4.897 4.340 0.001 0.000 0.301 528 R C -1.179 175.106 176.300 -0.025 0.000 0.962 528 R CA -0.732 55.346 56.100 -0.038 0.000 0.882 528 R CB 1.477 31.765 30.300 -0.019 0.000 1.143 528 R HN 0.318 nan 8.270 nan 0.000 0.452 529 V N 2.573 122.494 119.914 0.012 0.000 2.348 529 V HA 0.101 4.222 4.120 0.001 0.000 0.270 529 V C -0.265 175.897 176.094 0.114 0.000 1.037 529 V CA -0.543 61.792 62.300 0.058 0.000 0.872 529 V CB 1.153 33.038 31.823 0.103 0.000 1.002 529 V HN 0.663 nan 8.190 nan 0.000 0.464 530 D N 4.167 124.636 120.400 0.115 0.000 2.232 530 D HA 0.479 5.119 4.640 0.001 0.000 0.242 530 D C -0.733 175.652 176.300 0.142 0.000 1.093 530 D CA -0.094 53.968 54.000 0.103 0.000 0.845 530 D CB 1.733 42.572 40.800 0.065 0.000 1.124 530 D HN 0.294 nan 8.370 nan 0.000 0.467 531 V N 3.632 123.610 119.914 0.106 0.000 2.350 531 V HA 0.246 4.366 4.120 0.001 0.000 0.285 531 V C 0.233 176.350 176.094 0.039 0.000 1.014 531 V CA -0.975 61.363 62.300 0.064 0.000 0.831 531 V CB 1.214 33.052 31.823 0.026 0.000 1.000 531 V HN 0.686 nan 8.190 nan 0.000 0.433 532 S N 7.833 123.555 115.700 0.036 0.000 2.546 532 S HA 0.118 4.588 4.470 0.001 0.000 0.290 532 S C -0.542 174.076 174.600 0.030 0.000 1.262 532 S CA -0.579 57.640 58.200 0.031 0.000 1.083 532 S CB 0.738 63.956 63.200 0.030 0.000 0.859 532 S HN 0.701 nan 8.310 nan 0.000 0.495 533 P HA -0.004 nan 4.420 nan 0.000 0.230 533 P C 0.801 178.124 177.300 0.039 0.000 1.158 533 P CA 0.809 63.925 63.100 0.026 0.000 0.769 533 P CB -0.324 31.387 31.700 0.018 0.000 0.807 534 T N -4.763 109.815 114.554 0.040 0.000 3.134 534 T HA 0.185 4.535 4.350 0.001 0.000 0.260 534 T C 0.711 175.442 174.700 0.051 0.000 1.027 534 T CA -0.389 61.737 62.100 0.043 0.000 0.913 534 T CB -0.503 68.382 68.868 0.028 0.000 1.046 534 T HN -0.080 nan 8.240 nan 0.000 0.553 535 S N 0.765 116.507 115.700 0.069 0.000 2.580 535 S HA 0.224 4.694 4.470 0.001 0.000 0.274 535 S C 1.070 175.719 174.600 0.081 0.000 1.329 535 S CA -0.554 57.687 58.200 0.068 0.000 1.036 535 S CB 0.912 64.152 63.200 0.066 0.000 0.919 535 S HN 0.298 nan 8.310 nan 0.000 0.515 536 Q N 2.601 122.395 119.800 -0.011 0.000 2.391 536 Q HA 0.214 4.554 4.340 0.001 0.000 0.211 536 Q C 1.567 177.529 176.000 -0.063 0.000 0.908 536 Q CA 0.780 56.488 55.803 -0.158 0.000 0.920 536 Q CB 0.122 28.840 28.738 -0.032 0.000 1.056 536 Q HN 0.679 nan 8.270 nan 0.000 0.523 537 R N -0.843 119.706 120.500 0.081 0.000 2.254 537 R HA 0.323 4.664 4.340 0.001 0.000 0.193 537 R C 0.353 176.738 176.300 0.141 0.000 0.929 537 R CA 0.232 56.412 56.100 0.134 0.000 1.038 537 R CB 0.927 31.242 30.300 0.025 0.000 1.009 537 R HN 0.029 nan 8.270 nan 0.000 0.512 538 L N 0.356 121.658 121.223 0.131 0.000 2.371 538 L HA 0.467 4.807 4.340 0.001 0.000 0.262 538 L C -0.933 175.969 176.870 0.053 0.000 1.006 538 L CA -0.873 53.959 54.840 -0.013 0.000 0.818 538 L CB 2.455 44.379 42.059 -0.224 0.000 1.354 538 L HN -0.069 nan 8.230 nan 0.000 0.415 539 Q N 1.999 121.728 119.800 -0.120 0.000 2.443 539 Q HA 0.414 4.755 4.340 0.001 0.000 0.258 539 Q C -1.990 173.903 176.000 -0.179 0.000 0.967 539 Q CA -0.601 55.084 55.803 -0.197 0.000 0.951 539 Q CB 2.211 30.625 28.738 -0.540 0.000 1.459 539 Q HN 0.573 nan 8.270 nan 0.000 0.415 540 L N 2.951 124.100 121.223 -0.124 0.000 2.472 540 L HA 0.374 4.714 4.340 0.001 0.000 0.260 540 L C 0.063 176.857 176.870 -0.127 0.000 1.209 540 L CA -0.416 54.367 54.840 -0.095 0.000 0.817 540 L CB 0.350 42.379 42.059 -0.051 0.000 1.106 540 L HN 0.555 nan 8.230 nan 0.000 0.479 541 L N 1.057 122.206 121.223 -0.123 0.000 2.343 541 L HA 0.409 4.750 4.340 0.001 0.000 0.275 541 L C -0.036 176.735 176.870 -0.164 0.000 1.056 541 L CA -0.269 54.471 54.840 -0.167 0.000 0.804 541 L CB 1.375 43.321 42.059 -0.188 0.000 1.203 541 L HN 0.583 nan 8.230 nan 0.000 0.440 542 E N 3.372 123.450 120.200 -0.204 0.000 2.199 542 E HA 0.426 4.776 4.350 0.001 0.000 0.269 542 E C -2.356 174.049 176.600 -0.326 0.000 0.899 542 E CA -1.920 54.368 56.400 -0.186 0.000 0.772 542 E CB 1.808 31.436 29.700 -0.119 0.000 1.155 542 E HN 0.326 nan 8.360 nan 0.000 0.408 543 P HA 0.046 nan 4.420 nan 0.000 0.270 543 P C -0.695 176.407 177.300 -0.331 0.000 1.223 543 P CA 0.050 62.955 63.100 -0.325 0.000 0.785 543 P CB 0.363 31.974 31.700 -0.149 0.000 0.923 544 F N 0.148 120.089 119.950 -0.016 0.000 2.375 544 F HA 0.120 4.647 4.527 0.001 0.000 0.313 544 F C 1.451 177.238 175.800 -0.021 0.000 1.176 544 F CA -0.538 57.454 58.000 -0.013 0.000 1.142 544 F CB -0.127 38.864 39.000 -0.015 0.000 1.275 544 F HN 0.319 nan 8.300 nan 0.000 0.544 545 D N 1.369 121.899 120.400 0.218 0.000 2.414 545 D HA 0.026 4.666 4.640 0.001 0.000 0.242 545 D C -0.278 176.061 176.300 0.065 0.000 1.129 545 D CA -0.234 53.822 54.000 0.094 0.000 0.885 545 D CB 0.784 41.621 40.800 0.062 0.000 1.198 545 D HN 0.197 nan 8.370 nan 0.000 0.437 546 K N 0.956 121.374 120.400 0.031 0.000 2.149 546 K HA 0.056 4.376 4.320 0.001 0.000 0.245 546 K C 0.001 176.608 176.600 0.013 0.000 1.024 546 K CA -0.555 55.744 56.287 0.020 0.000 0.899 546 K CB 0.608 33.117 32.500 0.016 0.000 1.038 546 K HN 0.605 nan 8.250 nan 0.000 0.496 547 W N 3.305 124.461 121.300 -0.240 0.000 2.272 547 W HA 0.035 4.695 4.660 0.001 0.000 0.318 547 W C 0.476 176.909 176.519 -0.143 0.000 1.255 547 W CA -0.482 56.690 57.345 -0.288 0.000 1.200 547 W CB 0.450 29.595 29.460 -0.524 0.000 1.170 547 W HN 0.664 nan 8.180 nan 0.000 0.549 548 D N 2.770 122.887 120.400 -0.471 0.000 2.352 548 D HA 0.096 4.737 4.640 0.001 0.000 0.232 548 D C 1.612 177.427 176.300 -0.808 0.000 1.055 548 D CA 0.609 54.310 54.000 -0.497 0.000 0.891 548 D CB -0.324 40.301 40.800 -0.292 0.000 0.897 548 D HN 0.841 nan 8.370 nan 0.000 0.529 549 G N -0.651 107.088 108.800 -1.769 0.000 2.176 549 G HA2 -0.292 3.668 3.960 0.001 0.000 0.253 549 G HA3 -0.292 3.668 3.960 0.001 0.000 0.253 549 G C 0.209 174.529 174.900 -0.967 0.000 0.979 549 G CA 0.281 44.332 45.100 -1.749 0.000 0.641 549 G HN 0.488 nan 8.290 nan 0.000 0.530 550 K N 0.517 120.540 120.400 -0.629 0.000 2.295 550 K HA 0.626 4.947 4.320 0.001 0.000 0.239 550 K C -0.192 176.522 176.600 0.191 0.000 0.991 550 K CA -0.826 55.392 56.287 -0.114 0.000 0.845 550 K CB 1.060 33.487 32.500 -0.122 0.000 1.197 550 K HN 0.066 nan 8.250 nan 0.000 0.441 551 D N 0.608 121.089 120.400 0.136 0.000 2.398 551 D HA 0.178 4.819 4.640 0.001 0.000 0.247 551 D C -0.235 176.120 176.300 0.093 0.000 1.227 551 D CA -0.065 54.015 54.000 0.134 0.000 0.980 551 D CB 0.616 41.450 40.800 0.057 0.000 1.106 551 D HN 0.242 nan 8.370 nan 0.000 0.493 552 L N 1.949 123.202 121.223 0.050 0.000 2.353 552 L HA 0.177 4.518 4.340 0.001 0.000 0.269 552 L C 0.372 177.242 176.870 -0.001 0.000 1.085 552 L CA -0.690 54.167 54.840 0.030 0.000 0.938 552 L CB 0.175 42.242 42.059 0.013 0.000 1.312 552 L HN 0.093 nan 8.230 nan 0.000 0.429 553 E N 2.091 122.292 120.200 0.001 0.000 2.343 553 E HA 0.091 4.441 4.350 0.001 0.000 0.269 553 E C -0.119 176.473 176.600 -0.013 0.000 1.047 553 E CA -0.603 55.792 56.400 -0.009 0.000 0.874 553 E CB 0.836 30.531 29.700 -0.008 0.000 1.033 553 E HN 0.390 nan 8.360 nan 0.000 0.409 554 D N 1.089 121.478 120.400 -0.020 0.000 2.704 554 D HA -0.195 4.446 4.640 0.001 0.000 0.232 554 D C -0.208 176.074 176.300 -0.029 0.000 1.183 554 D CA 0.668 54.654 54.000 -0.025 0.000 0.647 554 D CB -0.964 39.823 40.800 -0.021 0.000 1.013 554 D HN 0.366 nan 8.370 nan 0.000 0.415 555 L N 0.009 121.217 121.223 -0.025 0.000 2.439 555 L HA 0.135 4.476 4.340 0.001 0.000 0.269 555 L C 0.990 177.843 176.870 -0.027 0.000 1.179 555 L CA 0.110 54.941 54.840 -0.015 0.000 0.828 555 L CB 0.492 42.547 42.059 -0.006 0.000 1.106 555 L HN 0.013 nan 8.230 nan 0.000 0.467 556 Q N 2.424 122.205 119.800 -0.032 0.000 2.271 556 Q HA 0.409 4.750 4.340 0.001 0.000 0.258 556 Q C -0.770 175.233 176.000 0.005 0.000 0.936 556 Q CA -0.231 55.519 55.803 -0.088 0.000 0.909 556 Q CB 1.341 29.898 28.738 -0.301 0.000 1.253 556 Q HN 0.466 nan 8.270 nan 0.000 0.440 557 I N 5.964 126.536 120.570 0.003 0.000 2.421 557 I HA -0.040 4.130 4.170 0.001 0.000 0.291 557 I C 0.882 177.040 176.117 0.068 0.000 1.089 557 I CA -0.163 61.169 61.300 0.052 0.000 1.354 557 I CB 0.526 38.536 38.000 0.016 0.000 1.413 557 I HN 0.789 nan 8.210 nan 0.000 0.513 558 L N 8.720 130.011 121.223 0.112 0.000 2.027 558 L HA 0.174 4.515 4.340 0.001 0.000 0.206 558 L C 0.466 177.328 176.870 -0.014 0.000 1.074 558 L CA 1.951 56.786 54.840 -0.009 0.000 0.745 558 L CB 0.161 42.002 42.059 -0.363 0.000 0.898 558 L HN 0.562 nan 8.230 nan 0.000 0.433 559 I N -0.885 119.702 120.570 0.029 0.000 2.787 559 I HA 0.233 4.403 4.170 0.001 0.000 0.294 559 I C -1.323 174.825 176.117 0.052 0.000 1.365 559 I CA -0.850 60.471 61.300 0.036 0.000 1.029 559 I CB 1.592 39.613 38.000 0.034 0.000 1.313 559 I HN -0.015 nan 8.210 nan 0.000 0.431 560 K N 7.288 127.708 120.400 0.034 0.000 2.389 560 K HA 0.546 4.866 4.320 0.001 0.000 0.261 560 K C -1.617 175.016 176.600 0.056 0.000 1.014 560 K CA -0.513 55.781 56.287 0.013 0.000 0.920 560 K CB 1.326 33.783 32.500 -0.072 0.000 1.149 560 K HN 0.448 nan 8.250 nan 0.000 0.444 561 V N 4.302 124.277 119.914 0.101 0.000 2.614 561 V HA 0.154 4.275 4.120 0.001 0.000 0.291 561 V C 0.201 176.403 176.094 0.179 0.000 1.049 561 V CA -0.287 62.090 62.300 0.128 0.000 1.038 561 V CB 1.044 32.958 31.823 0.151 0.000 0.980 561 V HN 0.691 nan 8.190 nan 0.000 0.481 562 K N 3.582 124.059 120.400 0.128 0.000 2.307 562 K HA 0.622 4.942 4.320 0.001 0.000 0.263 562 K C 0.256 176.877 176.600 0.036 0.000 0.973 562 K CA 0.588 56.951 56.287 0.126 0.000 0.846 562 K CB 1.266 33.830 32.500 0.106 0.000 1.100 562 K HN 1.089 nan 8.250 nan 0.000 0.438 563 G N 3.125 111.925 108.800 -0.001 0.000 2.545 563 G HA2 -0.242 3.718 3.960 0.001 0.000 0.216 563 G HA3 -0.242 3.718 3.960 0.001 0.000 0.216 563 G C -1.057 173.791 174.900 -0.087 0.000 1.314 563 G CA -0.526 44.543 45.100 -0.052 0.000 0.906 563 G HN 0.682 nan 8.290 nan 0.000 0.563 564 K N -0.511 119.804 120.400 -0.142 0.000 2.412 564 K HA 0.400 4.720 4.320 0.001 0.000 0.284 564 K C -0.483 175.860 176.600 -0.429 0.000 1.046 564 K CA 0.348 56.499 56.287 -0.227 0.000 0.999 564 K CB -0.064 32.308 32.500 -0.215 0.000 0.941 564 K HN 0.822 nan 8.250 nan 0.000 0.474 565 C N 5.301 124.404 119.300 -0.329 0.000 2.978 565 C HA 0.266 4.727 4.460 0.001 0.000 0.274 565 C C -0.053 174.731 174.990 -0.345 0.000 1.087 565 C CA -0.491 58.314 59.018 -0.355 0.000 1.453 565 C CB -0.337 27.391 27.740 -0.021 0.000 1.838 565 C HN 0.924 nan 8.230 nan 0.000 0.470 566 T N 2.533 116.887 114.554 -0.334 0.000 2.795 566 T HA 0.077 4.428 4.350 0.001 0.000 0.314 566 T C 1.669 176.259 174.700 -0.182 0.000 1.069 566 T CA 0.747 62.688 62.100 -0.265 0.000 1.071 566 T CB 0.885 69.546 68.868 -0.346 0.000 0.988 566 T HN 0.787 nan 8.240 nan 0.000 0.543 567 T N -1.197 113.269 114.554 -0.147 0.000 3.035 567 T HA -0.059 4.291 4.350 0.001 0.000 0.268 567 T C 1.137 175.820 174.700 -0.028 0.000 1.109 567 T CA 0.597 62.613 62.100 -0.141 0.000 1.119 567 T CB -0.059 68.748 68.868 -0.102 0.000 0.900 567 T HN 0.490 nan 8.240 nan 0.000 0.503 568 D N 0.925 121.346 120.400 0.034 0.000 2.371 568 D HA -0.022 4.619 4.640 0.001 0.000 0.221 568 D C 1.360 177.621 176.300 -0.066 0.000 0.986 568 D CA 0.819 54.837 54.000 0.029 0.000 0.899 568 D CB -0.046 40.818 40.800 0.106 0.000 0.902 568 D HN 0.595 nan 8.370 nan 0.000 0.530 569 H N -0.501 118.520 119.070 -0.082 0.000 2.486 569 H HA 0.219 4.775 4.556 0.001 0.000 0.287 569 H C 2.090 177.374 175.328 -0.072 0.000 1.010 569 H CA 0.377 56.382 56.048 -0.072 0.000 1.324 569 H CB 0.465 30.168 29.762 -0.098 0.000 1.446 569 H HN 0.067 nan 8.280 nan 0.000 0.537 570 I N -1.209 119.365 120.570 0.007 0.000 2.480 570 I HA -0.025 4.145 4.170 0.001 0.000 0.251 570 I C 0.471 176.570 176.117 -0.030 0.000 1.124 570 I CA 0.582 61.872 61.300 -0.016 0.000 1.444 570 I CB 0.440 38.379 38.000 -0.101 0.000 1.098 570 I HN 0.021 nan 8.210 nan 0.000 0.428 571 S N 1.029 116.702 115.700 -0.046 0.000 2.571 571 S HA 0.638 5.108 4.470 0.001 0.000 0.238 571 S C -0.272 174.293 174.600 -0.057 0.000 1.153 571 S CA -0.775 57.383 58.200 -0.070 0.000 1.141 571 S CB 0.336 63.544 63.200 0.014 0.000 1.133 571 S HN 0.216 nan 8.310 nan 0.000 0.464 572 A N 3.420 126.161 122.820 -0.132 0.000 2.507 572 A HA 0.686 5.007 4.320 0.001 0.000 0.235 572 A C 1.113 178.770 177.584 0.122 0.000 1.070 572 A CA 0.509 52.532 52.037 -0.023 0.000 0.768 572 A CB -0.126 18.843 19.000 -0.051 0.000 1.011 572 A HN 1.372 nan 8.150 nan 0.000 0.502 573 A N 1.421 124.347 122.820 0.177 0.000 3.711 573 A HA 0.757 5.077 4.320 0.001 0.000 0.185 573 A C 1.813 179.540 177.584 0.239 0.000 1.697 573 A CA 0.845 53.000 52.037 0.196 0.000 1.787 573 A CB -1.099 17.986 19.000 0.141 0.000 1.545 573 A HN 2.731 nan 8.150 nan 0.000 0.553 574 G N -0.119 108.775 108.800 0.157 0.000 2.690 574 G HA2 -0.313 3.647 3.960 0.001 0.000 0.334 574 G HA3 -0.313 3.647 3.960 0.001 0.000 0.334 574 G C -0.697 174.234 174.900 0.052 0.000 1.250 574 G CA 1.059 46.228 45.100 0.114 0.000 0.994 574 G HN 0.733 nan 8.290 nan 0.000 0.549 575 P HA -0.033 nan 4.420 nan 0.000 0.226 575 P C 1.199 178.308 177.300 -0.318 0.000 1.153 575 P CA 1.892 64.868 63.100 -0.207 0.000 0.777 575 P CB -0.204 31.336 31.700 -0.266 0.000 0.794 576 W N -0.040 121.264 121.300 0.006 0.000 2.825 576 W HA 0.125 4.785 4.660 0.001 0.000 0.243 576 W C 2.152 178.662 176.519 -0.016 0.000 1.293 576 W CA -0.012 57.371 57.345 0.062 0.000 1.403 576 W CB -0.872 28.659 29.460 0.118 0.000 1.134 576 W HN -0.137 nan 8.180 nan 0.000 0.666 577 L N 0.571 121.831 121.223 0.062 0.000 2.265 577 L HA -0.191 4.149 4.340 0.001 0.000 0.215 577 L C 2.500 179.326 176.870 -0.075 0.000 1.117 577 L CA 1.105 55.956 54.840 0.018 0.000 0.782 577 L CB -0.692 41.386 42.059 0.031 0.000 0.914 577 L HN -0.020 nan 8.230 nan 0.000 0.441 578 K N 0.262 120.505 120.400 -0.262 0.000 2.286 578 K HA -0.187 4.133 4.320 0.001 0.000 0.203 578 K C 0.940 177.292 176.600 -0.414 0.000 1.045 578 K CA 1.456 57.452 56.287 -0.485 0.000 0.935 578 K CB 0.081 32.024 32.500 -0.928 0.000 0.737 578 K HN 0.197 nan 8.250 nan 0.000 0.460 579 F N -0.303 119.677 119.950 0.049 0.000 2.683 579 F HA 0.252 4.780 4.527 0.001 0.000 0.306 579 F C 1.034 176.909 175.800 0.124 0.000 1.102 579 F CA -0.502 57.558 58.000 0.100 0.000 1.244 579 F CB 0.457 39.560 39.000 0.172 0.000 1.029 579 F HN -0.197 nan 8.300 nan 0.000 0.545 580 R N 0.249 120.862 120.500 0.188 0.000 2.341 580 R HA 0.009 4.350 4.340 0.001 0.000 0.213 580 R C 1.846 178.291 176.300 0.241 0.000 1.082 580 R CA 0.859 57.029 56.100 0.117 0.000 1.017 580 R CB -0.936 29.350 30.300 -0.024 0.000 0.860 580 R HN 0.365 nan 8.270 nan 0.000 0.473 581 G N -1.130 107.780 108.800 0.184 0.000 3.159 581 G HA2 -0.060 3.900 3.960 0.001 0.000 0.232 581 G HA3 -0.060 3.900 3.960 0.001 0.000 0.232 581 G C -0.052 174.915 174.900 0.112 0.000 1.116 581 G CA -0.163 44.995 45.100 0.096 0.000 0.767 581 G HN 0.210 nan 8.290 nan 0.000 0.547 582 H N 1.033 120.167 119.070 0.105 0.000 2.866 582 H HA 0.234 4.791 4.556 0.001 0.000 0.287 582 H C 0.769 176.117 175.328 0.034 0.000 1.106 582 H CA -0.703 55.376 56.048 0.051 0.000 1.396 582 H CB 1.596 31.406 29.762 0.079 0.000 1.469 582 H HN 0.034 nan 8.280 nan 0.000 0.500 583 L N 4.034 125.212 121.223 -0.075 0.000 2.013 583 L HA -0.165 4.175 4.340 0.001 0.000 0.212 583 L C 1.786 178.556 176.870 -0.168 0.000 1.073 583 L CA 2.391 57.155 54.840 -0.127 0.000 0.753 583 L CB -0.463 41.414 42.059 -0.304 0.000 0.890 583 L HN 0.634 nan 8.230 nan 0.000 0.432 584 D N -1.387 118.901 120.400 -0.187 0.000 2.144 584 D HA -0.185 4.456 4.640 0.001 0.000 0.200 584 D C 1.927 178.322 176.300 0.157 0.000 0.978 584 D CA 1.549 55.591 54.000 0.070 0.000 0.833 584 D CB -0.035 40.879 40.800 0.190 0.000 0.961 584 D HN 0.536 nan 8.370 nan 0.000 0.470 585 N N -0.701 118.118 118.700 0.199 0.000 2.171 585 N HA -0.082 4.658 4.740 0.001 0.000 0.184 585 N C 1.703 177.170 175.510 -0.073 0.000 1.021 585 N CA 0.390 53.338 53.050 -0.171 0.000 0.854 585 N CB 0.113 38.156 38.487 -0.739 0.000 0.994 585 N HN 0.153 nan 8.380 nan 0.000 0.426 586 I N 0.863 121.520 120.570 0.146 0.000 2.439 586 I HA -0.131 4.039 4.170 0.001 0.000 0.251 586 I C 1.572 177.781 176.117 0.152 0.000 1.139 586 I CA 1.055 62.545 61.300 0.318 0.000 1.438 586 I CB -0.031 38.190 38.000 0.368 0.000 1.085 586 I HN -0.047 nan 8.210 nan 0.000 0.427 587 S N 1.309 117.093 115.700 0.140 0.000 2.520 587 S HA -0.137 4.333 4.470 0.001 0.000 0.249 587 S C 1.499 176.139 174.600 0.067 0.000 0.983 587 S CA 0.940 59.225 58.200 0.141 0.000 0.958 587 S CB -0.716 62.652 63.200 0.280 0.000 0.750 587 S HN 0.547 nan 8.310 nan 0.000 0.527 588 N N 2.356 121.081 118.700 0.043 0.000 2.461 588 N HA 0.005 4.745 4.740 0.001 0.000 0.188 588 N C 0.998 176.342 175.510 -0.277 0.000 1.134 588 N CA 0.354 53.413 53.050 0.015 0.000 0.878 588 N CB -0.296 38.321 38.487 0.215 0.000 0.972 588 N HN 0.805 nan 8.380 nan 0.000 0.456 589 N N 0.074 118.349 118.700 -0.709 0.000 2.236 589 N HA 0.004 4.744 4.740 0.001 0.000 0.196 589 N C 0.197 175.474 175.510 -0.389 0.000 1.114 589 N CA -0.406 52.087 53.050 -0.929 0.000 0.859 589 N CB 0.239 37.665 38.487 -1.768 0.000 0.982 589 N HN -0.062 nan 8.380 nan 0.000 0.493 590 L N 2.225 123.340 121.223 -0.181 0.000 2.628 590 L HA -0.033 4.307 4.340 0.001 0.000 0.274 590 L C 0.652 177.505 176.870 -0.029 0.000 1.209 590 L CA 0.695 55.510 54.840 -0.043 0.000 0.930 590 L CB -0.326 41.773 42.059 0.067 0.000 1.183 590 L HN 0.310 nan 8.230 nan 0.000 0.492 591 L N 4.365 125.591 121.223 0.004 0.000 4.312 591 L HA -0.315 4.025 4.340 0.001 0.000 0.427 591 L C 1.473 178.352 176.870 0.014 0.000 1.149 591 L CA 0.890 55.752 54.840 0.038 0.000 0.978 591 L CB -1.571 40.535 42.059 0.078 0.000 1.963 591 L HN 0.873 nan 8.230 nan 0.000 0.970 592 I N -3.981 116.570 120.570 -0.032 0.000 2.916 592 I HA 0.022 4.192 4.170 0.001 0.000 0.267 592 I C 1.925 178.057 176.117 0.025 0.000 1.263 592 I CA 1.548 62.841 61.300 -0.011 0.000 1.471 592 I CB -0.337 37.643 38.000 -0.032 0.000 1.089 592 I HN 0.203 nan 8.210 nan 0.000 0.468 593 G N 0.828 109.649 108.800 0.035 0.000 2.796 593 G HA2 0.459 4.420 3.960 0.001 0.000 0.210 593 G HA3 0.459 4.420 3.960 0.001 0.000 0.210 593 G C 0.842 175.868 174.900 0.211 0.000 1.146 593 G CA 0.314 45.460 45.100 0.075 0.000 0.779 593 G HN 0.542 nan 8.290 nan 0.000 0.535 594 A N 0.847 123.767 122.820 0.166 0.000 2.483 594 A HA 0.478 4.799 4.320 0.001 0.000 0.238 594 A C 0.117 177.757 177.584 0.092 0.000 1.070 594 A CA -0.063 52.052 52.037 0.130 0.000 0.770 594 A CB 0.270 19.336 19.000 0.110 0.000 1.008 594 A HN 0.130 nan 8.150 nan 0.000 0.497 595 I N 2.821 123.427 120.570 0.060 0.000 2.337 595 I HA 0.061 4.231 4.170 0.001 0.000 0.291 595 I C 0.463 176.614 176.117 0.058 0.000 1.046 595 I CA -0.262 61.068 61.300 0.049 0.000 1.324 595 I CB 0.241 38.257 38.000 0.026 0.000 1.409 595 I HN 0.725 nan 8.210 nan 0.000 0.494 596 N N 5.909 124.646 118.700 0.062 0.000 2.497 596 N HA 0.034 4.775 4.740 0.001 0.000 0.268 596 N C 0.878 176.426 175.510 0.062 0.000 1.171 596 N CA 0.216 53.308 53.050 0.070 0.000 0.948 596 N CB 0.895 39.435 38.487 0.088 0.000 1.069 596 N HN 0.647 nan 8.380 nan 0.000 0.460 597 I N 2.554 123.163 120.570 0.064 0.000 2.546 597 I HA -0.135 4.035 4.170 0.001 0.000 0.255 597 I C 1.865 178.012 176.117 0.050 0.000 1.163 597 I CA 0.942 62.277 61.300 0.058 0.000 1.457 597 I CB 0.039 38.075 38.000 0.059 0.000 1.092 597 I HN 0.744 nan 8.210 nan 0.000 0.434 598 E N 1.329 121.568 120.200 0.065 0.000 2.110 598 E HA -0.263 4.087 4.350 0.001 0.000 0.193 598 E C 1.077 177.696 176.600 0.031 0.000 0.988 598 E CA 1.825 58.269 56.400 0.072 0.000 0.804 598 E CB 0.084 29.868 29.700 0.140 0.000 0.745 598 E HN 0.708 nan 8.360 nan 0.000 0.458 599 N N -1.113 117.595 118.700 0.013 0.000 2.143 599 N HA 0.090 4.830 4.740 0.001 0.000 0.222 599 N C -0.482 175.012 175.510 -0.025 0.000 1.264 599 N CA -0.023 52.999 53.050 -0.046 0.000 0.897 599 N CB 0.345 38.752 38.487 -0.135 0.000 1.092 599 N HN -0.020 nan 8.380 nan 0.000 0.516 600 R N -0.855 119.647 120.500 0.004 0.000 3.332 600 R HA -0.177 4.164 4.340 0.001 0.000 0.263 600 R C -1.108 175.194 176.300 0.004 0.000 1.053 600 R CA 0.724 56.828 56.100 0.007 0.000 0.705 600 R CB -1.876 28.424 30.300 0.000 0.000 1.166 600 R HN 0.350 nan 8.270 nan 0.000 0.427 601 K N -0.248 120.160 120.400 0.013 0.000 2.464 601 K HA 0.708 5.028 4.320 0.001 0.000 0.253 601 K C -0.912 175.710 176.600 0.037 0.000 0.933 601 K CA -0.273 56.023 56.287 0.014 0.000 0.801 601 K CB 1.865 34.361 32.500 -0.007 0.000 1.271 601 K HN 0.199 nan 8.250 nan 0.000 0.430 602 A N 2.923 125.766 122.820 0.038 0.000 2.309 602 A HA 0.327 4.647 4.320 0.001 0.000 0.290 602 A C 0.096 177.709 177.584 0.048 0.000 1.206 602 A CA 0.124 52.191 52.037 0.050 0.000 0.850 602 A CB -0.118 18.913 19.000 0.051 0.000 1.118 602 A HN 0.913 nan 8.150 nan 0.000 0.523 603 N N 0.141 118.870 118.700 0.048 0.000 2.754 603 N HA -0.173 4.567 4.740 0.001 0.000 0.248 603 N C -0.446 175.094 175.510 0.050 0.000 1.093 603 N CA 1.426 54.499 53.050 0.039 0.000 0.699 603 N CB -1.196 37.314 38.487 0.038 0.000 1.016 603 N HN 0.672 nan 8.380 nan 0.000 0.552 604 S N -0.301 115.445 115.700 0.077 0.000 2.381 604 S HA 0.539 5.009 4.470 0.001 0.000 0.193 604 S C -0.693 174.067 174.600 0.266 0.000 1.287 604 S CA -0.061 58.226 58.200 0.144 0.000 1.199 604 S CB 0.076 63.334 63.200 0.096 0.000 1.214 604 S HN 0.550 nan 8.310 nan 0.000 0.444 605 V N 1.944 121.969 119.914 0.185 0.000 2.769 605 V HA 0.688 4.808 4.120 0.001 0.000 0.312 605 V C 0.068 175.989 176.094 -0.289 0.000 1.061 605 V CA -1.373 60.973 62.300 0.076 0.000 0.931 605 V CB 1.605 33.403 31.823 -0.042 0.000 1.010 605 V HN 0.716 nan 8.190 nan 0.000 0.433 606 R N 3.138 123.167 120.500 -0.786 0.000 2.370 606 R HA 0.158 4.499 4.340 0.001 0.000 0.309 606 R C 0.010 175.983 176.300 -0.545 0.000 1.059 606 R CA -0.188 55.169 56.100 -1.237 0.000 0.981 606 R CB 0.296 29.953 30.300 -1.072 0.000 0.972 606 R HN 0.954 nan 8.270 nan 0.000 0.437 607 N N 3.604 122.016 118.700 -0.480 0.000 2.420 607 N HA 0.005 4.745 4.740 0.001 0.000 0.262 607 N C 0.604 176.001 175.510 -0.187 0.000 1.144 607 N CA 0.351 53.195 53.050 -0.343 0.000 0.952 607 N CB 1.498 39.703 38.487 -0.471 0.000 1.081 607 N HN 0.707 nan 8.380 nan 0.000 0.480 608 A N 3.688 126.527 122.820 0.031 0.000 1.997 608 A HA -0.146 4.174 4.320 0.001 0.000 0.221 608 A C 1.878 179.451 177.584 -0.018 0.000 1.172 608 A CA 1.719 53.763 52.037 0.012 0.000 0.645 608 A CB -0.178 18.841 19.000 0.032 0.000 0.813 608 A HN 0.540 nan 8.150 nan 0.000 0.454 609 V N -0.757 119.145 119.914 -0.019 0.000 2.492 609 V HA -0.092 4.028 4.120 0.001 0.000 0.241 609 V C 2.724 178.763 176.094 -0.092 0.000 1.041 609 V CA 2.085 64.364 62.300 -0.035 0.000 1.057 609 V CB -0.625 31.217 31.823 0.031 0.000 0.711 609 V HN 0.789 nan 8.190 nan 0.000 0.468 610 T N -3.791 110.648 114.554 -0.191 0.000 3.044 610 T HA -0.019 4.331 4.350 0.001 0.000 0.250 610 T C 1.055 175.672 174.700 -0.138 0.000 1.081 610 T CA 0.178 62.173 62.100 -0.176 0.000 1.040 610 T CB 0.077 68.776 68.868 -0.283 0.000 0.962 610 T HN 0.339 nan 8.240 nan 0.000 0.506 611 Q N 0.332 120.038 119.800 -0.156 0.000 2.450 611 Q HA -0.138 4.202 4.340 0.001 0.000 0.255 611 Q C -0.566 175.363 176.000 -0.119 0.000 1.003 611 Q CA 1.007 56.727 55.803 -0.138 0.000 1.097 611 Q CB -1.371 27.328 28.738 -0.065 0.000 1.544 611 Q HN 0.652 nan 8.270 nan 0.000 0.531 612 E N -0.481 119.626 120.200 -0.155 0.000 2.214 612 E HA 0.442 4.793 4.350 0.001 0.000 0.274 612 E C -0.316 176.192 176.600 -0.154 0.000 0.977 612 E CA -0.608 55.745 56.400 -0.078 0.000 0.827 612 E CB 0.539 30.196 29.700 -0.072 0.000 1.130 612 E HN -0.023 nan 8.360 nan 0.000 0.394 613 F N 0.607 120.516 119.950 -0.069 0.000 2.404 613 F HA 0.516 5.044 4.527 0.001 0.000 0.345 613 F C 1.077 176.835 175.800 -0.071 0.000 1.110 613 F CA 0.381 58.341 58.000 -0.067 0.000 1.130 613 F CB 1.540 40.514 39.000 -0.043 0.000 1.129 613 F HN 0.436 nan 8.300 nan 0.000 0.500 614 G N 3.117 111.939 108.800 0.037 0.000 2.815 614 G HA2 0.546 4.506 3.960 0.001 0.000 0.305 614 G HA3 0.546 4.506 3.960 0.001 0.000 0.305 614 G C -3.257 171.637 174.900 -0.010 0.000 1.277 614 G CA -1.393 43.711 45.100 0.006 0.000 0.795 614 G HN 0.214 nan 8.290 nan 0.000 0.528 615 P HA 0.253 nan 4.420 nan 0.000 0.271 615 P C 1.178 178.437 177.300 -0.069 0.000 1.216 615 P CA -0.404 62.684 63.100 -0.020 0.000 0.776 615 P CB 1.514 33.214 31.700 0.001 0.000 0.881 616 V N 5.590 125.465 119.914 -0.064 0.000 2.287 616 V HA -0.187 3.934 4.120 0.001 0.000 0.248 616 V C -0.778 175.236 176.094 -0.134 0.000 1.053 616 V CA 2.374 64.605 62.300 -0.115 0.000 1.027 616 V CB -2.326 29.451 31.823 -0.077 0.000 0.646 616 V HN 0.647 nan 8.190 nan 0.000 0.447 617 P HA -0.149 nan 4.420 nan 0.000 0.214 617 P C 1.008 178.283 177.300 -0.041 0.000 1.163 617 P CA 1.828 64.906 63.100 -0.038 0.000 0.889 617 P CB -0.163 31.534 31.700 -0.005 0.000 0.790 618 D N -1.643 118.732 120.400 -0.043 0.000 2.178 618 D HA -0.105 4.536 4.640 0.001 0.000 0.202 618 D C 1.727 177.968 176.300 -0.098 0.000 0.974 618 D CA 1.352 55.333 54.000 -0.032 0.000 0.841 618 D CB -0.956 39.831 40.800 -0.021 0.000 0.953 618 D HN 0.183 nan 8.370 nan 0.000 0.478 619 T N -0.034 114.387 114.554 -0.221 0.000 2.857 619 T HA -0.023 4.327 4.350 0.001 0.000 0.266 619 T C 2.102 176.461 174.700 -0.568 0.000 1.048 619 T CA 1.060 62.892 62.100 -0.447 0.000 1.139 619 T CB -0.298 68.257 68.868 -0.522 0.000 0.874 619 T HN 0.203 nan 8.240 nan 0.000 0.455 620 A N 2.000 124.579 122.820 -0.403 0.000 1.898 620 A HA -0.084 4.237 4.320 0.001 0.000 0.216 620 A C 2.401 180.005 177.584 0.034 0.000 1.181 620 A CA 1.220 53.081 52.037 -0.294 0.000 0.620 620 A CB -0.468 18.370 19.000 -0.270 0.000 0.819 620 A HN 0.369 nan 8.150 nan 0.000 0.442 621 R N -2.205 118.320 120.500 0.041 0.000 2.081 621 R HA -0.157 4.183 4.340 0.001 0.000 0.235 621 R C 2.154 178.523 176.300 0.116 0.000 1.131 621 R CA 1.695 57.847 56.100 0.087 0.000 0.960 621 R CB -0.562 29.776 30.300 0.064 0.000 0.856 621 R HN 0.682 nan 8.270 nan 0.000 0.436 622 Y N 0.394 120.681 120.300 -0.021 0.000 2.128 622 Y HA -0.324 4.227 4.550 0.001 0.000 0.284 622 Y C 1.930 177.965 175.900 0.225 0.000 1.154 622 Y CA 1.598 59.738 58.100 0.066 0.000 1.149 622 Y CB -0.313 38.086 38.460 -0.102 0.000 0.976 622 Y HN 0.014 nan 8.280 nan 0.000 0.505 623 Y N 0.691 121.188 120.300 0.328 0.000 2.181 623 Y HA -0.223 4.327 4.550 0.001 0.000 0.288 623 Y C 2.609 178.639 175.900 0.216 0.000 1.146 623 Y CA 1.459 59.718 58.100 0.266 0.000 1.164 623 Y CB -1.038 37.534 38.460 0.187 0.000 0.982 623 Y HN 0.156 nan 8.280 nan 0.000 0.515 624 K N 0.299 120.917 120.400 0.363 0.000 2.032 624 K HA -0.267 4.054 4.320 0.001 0.000 0.209 624 K C 2.229 178.874 176.600 0.075 0.000 1.048 624 K CA 1.702 58.120 56.287 0.218 0.000 0.927 624 K CB -0.222 32.389 32.500 0.184 0.000 0.712 624 K HN 0.362 nan 8.250 nan 0.000 0.441 625 Q N -0.308 119.492 119.800 0.000 0.000 2.135 625 Q HA -0.188 4.153 4.340 0.001 0.000 0.204 625 Q C 1.108 176.899 176.000 -0.348 0.000 0.981 625 Q CA 1.392 57.075 55.803 -0.200 0.000 0.856 625 Q CB 0.061 28.625 28.738 -0.290 0.000 0.902 625 Q HN 0.548 nan 8.270 nan 0.000 0.425 626 H N -1.973 117.032 119.070 -0.109 0.000 2.529 626 H HA 0.170 4.727 4.556 0.001 0.000 0.277 626 H C 0.812 176.140 175.328 0.001 0.000 1.004 626 H CA 0.665 56.663 56.048 -0.083 0.000 1.167 626 H CB 0.959 30.642 29.762 -0.131 0.000 1.445 626 H HN 0.510 nan 8.280 nan 0.000 0.554 627 G N 1.697 110.554 108.800 0.095 0.000 2.136 627 G HA2 -0.262 3.699 3.960 0.001 0.000 0.242 627 G HA3 -0.262 3.699 3.960 0.001 0.000 0.242 627 G C 0.150 175.107 174.900 0.096 0.000 0.989 627 G CA -0.071 45.074 45.100 0.075 0.000 0.682 627 G HN 0.336 nan 8.290 nan 0.000 0.522 628 I N 1.041 121.702 120.570 0.152 0.000 2.301 628 I HA 0.329 4.499 4.170 0.001 0.000 0.292 628 I C 0.942 177.157 176.117 0.164 0.000 1.046 628 I CA -0.745 60.613 61.300 0.096 0.000 1.282 628 I CB 0.719 38.731 38.000 0.021 0.000 1.409 628 I HN 0.021 nan 8.210 nan 0.000 0.484 629 R N 7.403 127.956 120.500 0.088 0.000 2.347 629 R HA 0.245 4.586 4.340 0.001 0.000 0.304 629 R C -0.684 175.690 176.300 0.124 0.000 1.072 629 R CA 0.072 56.206 56.100 0.057 0.000 0.980 629 R CB 0.673 30.969 30.300 -0.008 0.000 0.986 629 R HN 0.601 nan 8.270 nan 0.000 0.448 630 W N 1.394 122.690 121.300 -0.007 0.000 2.894 630 W HA 0.765 5.426 4.660 0.001 0.000 0.345 630 W C -1.420 175.107 176.519 0.013 0.000 1.152 630 W CA -1.134 56.204 57.345 -0.011 0.000 1.089 630 W CB 0.475 29.969 29.460 0.057 0.000 1.454 630 W HN 0.224 nan 8.180 nan 0.000 0.589 631 V N 1.176 121.356 119.914 0.443 0.000 3.007 631 V HA 0.602 4.723 4.120 0.001 0.000 0.311 631 V C -0.872 175.433 176.094 0.351 0.000 1.120 631 V CA -0.907 61.549 62.300 0.259 0.000 0.980 631 V CB 2.475 34.361 31.823 0.106 0.000 1.033 631 V HN 0.437 nan 8.190 nan 0.000 0.429 632 V N 5.019 125.081 119.914 0.245 0.000 2.628 632 V HA 0.587 4.707 4.120 0.001 0.000 0.306 632 V C -0.808 175.305 176.094 0.032 0.000 1.045 632 V CA -0.693 61.715 62.300 0.180 0.000 0.905 632 V CB 1.940 33.900 31.823 0.228 0.000 0.997 632 V HN 0.553 nan 8.190 nan 0.000 0.436 633 I N 3.465 124.040 120.570 0.008 0.000 2.362 633 I HA 0.701 4.871 4.170 0.001 0.000 0.289 633 I C 0.568 176.685 176.117 -0.001 0.000 0.994 633 I CA -0.014 61.286 61.300 0.000 0.000 1.158 633 I CB 1.122 39.135 38.000 0.022 0.000 1.315 633 I HN 0.752 nan 8.210 nan 0.000 0.451 634 G N 4.201 112.944 108.800 -0.094 0.000 2.714 634 G HA2 0.461 4.421 3.960 0.001 0.000 0.292 634 G HA3 0.461 4.421 3.960 0.001 0.000 0.292 634 G C -0.475 174.450 174.900 0.041 0.000 1.308 634 G CA -0.218 44.808 45.100 -0.124 0.000 0.964 634 G HN 0.463 nan 8.290 nan 0.000 0.484 635 D N -0.749 119.646 120.400 -0.008 0.000 2.231 635 D HA 0.187 4.827 4.640 0.001 0.000 0.287 635 D C -0.004 176.206 176.300 -0.151 0.000 1.160 635 D CA -0.041 53.846 54.000 -0.188 0.000 1.089 635 D CB 0.565 41.251 40.800 -0.190 0.000 1.158 635 D HN 0.275 nan 8.370 nan 0.000 0.494 636 E N 1.087 121.207 120.200 -0.133 0.000 2.216 636 E HA 0.108 4.458 4.350 0.001 0.000 0.279 636 E C -0.235 176.344 176.600 -0.035 0.000 0.997 636 E CA -0.217 56.130 56.400 -0.088 0.000 0.817 636 E CB 1.030 30.681 29.700 -0.081 0.000 1.096 636 E HN 0.428 nan 8.360 nan 0.000 0.393 637 N N 3.224 121.914 118.700 -0.017 0.000 2.746 637 N HA -0.252 4.489 4.740 0.001 0.000 0.250 637 N C -1.253 174.299 175.510 0.070 0.000 1.055 637 N CA 0.055 53.127 53.050 0.035 0.000 0.699 637 N CB -0.856 37.644 38.487 0.023 0.000 0.919 637 N HN 0.481 nan 8.380 nan 0.000 0.548 638 Y N 0.464 120.719 120.300 -0.074 0.000 2.359 638 Y HA 0.404 4.954 4.550 0.001 0.000 0.334 638 Y C 1.379 177.398 175.900 0.198 0.000 1.058 638 Y CA 1.461 59.553 58.100 -0.012 0.000 1.244 638 Y CB 0.824 39.212 38.460 -0.120 0.000 1.187 638 Y HN 0.346 nan 8.280 nan 0.000 0.510 639 G N 3.880 112.497 108.800 -0.305 0.000 2.148 639 G HA2 -0.259 3.702 3.960 0.001 0.000 0.203 639 G HA3 -0.259 3.702 3.960 0.001 0.000 0.203 639 G C 0.034 174.881 174.900 -0.088 0.000 0.993 639 G CA -0.079 44.850 45.100 -0.285 0.000 0.661 639 G HN 0.790 nan 8.290 nan 0.000 0.518 640 E N 0.203 120.361 120.200 -0.070 0.000 2.568 640 E HA 0.398 4.748 4.350 0.001 0.000 0.262 640 E C 1.211 177.832 176.600 0.036 0.000 0.961 640 E CA 1.513 57.913 56.400 -0.000 0.000 0.945 640 E CB 0.051 29.726 29.700 -0.042 0.000 0.924 640 E HN 1.735 nan 8.360 nan 0.000 0.467 641 G N 2.581 111.463 108.800 0.137 0.000 2.358 641 G HA2 -0.000 3.960 3.960 0.001 0.000 0.198 641 G HA3 -0.000 3.960 3.960 0.001 0.000 0.198 641 G C -0.295 174.670 174.900 0.108 0.000 1.220 641 G CA -0.271 44.958 45.100 0.215 0.000 1.187 641 G HN 1.007 nan 8.290 nan 0.000 0.544 642 A N -0.176 122.718 122.820 0.124 0.000 2.555 642 A HA 0.514 4.834 4.320 0.001 0.000 0.233 642 A C 1.732 179.360 177.584 0.073 0.000 1.060 642 A CA 1.622 53.711 52.037 0.086 0.000 0.759 642 A CB 0.064 19.134 19.000 0.117 0.000 0.995 642 A HN 2.264 nan 8.150 nan 0.000 0.506 643 S N 1.263 117.005 115.700 0.070 0.000 2.593 643 S HA 0.007 4.478 4.470 0.001 0.000 0.217 643 S C 0.801 175.470 174.600 0.114 0.000 0.966 643 S CA 0.158 58.410 58.200 0.088 0.000 0.914 643 S CB -0.361 62.881 63.200 0.070 0.000 0.776 643 S HN 0.877 nan 8.310 nan 0.000 0.523 644 R N 2.435 123.009 120.500 0.123 0.000 2.730 644 R HA -0.105 4.235 4.340 0.001 0.000 0.327 644 R C 0.667 177.096 176.300 0.215 0.000 0.825 644 R CA 0.854 57.065 56.100 0.184 0.000 1.130 644 R CB -0.423 29.974 30.300 0.162 0.000 0.883 644 R HN 0.654 nan 8.270 nan 0.000 0.407 645 E N 2.117 122.430 120.200 0.189 0.000 2.472 645 E HA -0.217 4.134 4.350 0.001 0.000 0.200 645 E C 0.294 176.930 176.600 0.059 0.000 1.046 645 E CA 1.093 57.555 56.400 0.103 0.000 0.871 645 E CB -0.175 29.533 29.700 0.013 0.000 0.806 645 E HN 0.807 nan 8.360 nan 0.000 0.533 646 H N 0.981 120.108 119.070 0.095 0.000 2.421 646 H HA -0.002 4.555 4.556 0.001 0.000 0.298 646 H C 1.894 177.288 175.328 0.111 0.000 1.087 646 H CA 1.637 57.745 56.048 0.099 0.000 1.330 646 H CB 0.016 29.834 29.762 0.093 0.000 1.388 646 H HN 0.125 nan 8.280 nan 0.000 0.526 647 S N -0.481 115.350 115.700 0.217 0.000 2.500 647 S HA -0.046 4.424 4.470 0.001 0.000 0.239 647 S C 2.061 176.831 174.600 0.283 0.000 0.989 647 S CA 0.744 59.049 58.200 0.175 0.000 0.951 647 S CB -0.012 63.202 63.200 0.023 0.000 0.759 647 S HN 0.606 nan 8.310 nan 0.000 0.523 648 A N 0.298 123.268 122.820 0.250 0.000 2.055 648 A HA 0.412 4.733 4.320 0.001 0.000 0.205 648 A C 1.821 179.457 177.584 0.087 0.000 1.235 648 A CA -0.080 52.062 52.037 0.175 0.000 0.822 648 A CB -0.207 18.841 19.000 0.080 0.000 0.903 648 A HN 0.378 nan 8.150 nan 0.000 0.473 649 L N -0.127 121.148 121.223 0.086 0.000 2.056 649 L HA -0.172 4.169 4.340 0.001 0.000 0.207 649 L C 2.524 179.479 176.870 0.142 0.000 1.078 649 L CA 1.547 56.445 54.840 0.097 0.000 0.749 649 L CB -0.422 41.656 42.059 0.033 0.000 0.901 649 L HN 0.465 nan 8.230 nan 0.000 0.433 650 E N 0.046 120.342 120.200 0.161 0.000 2.017 650 E HA -0.205 4.146 4.350 0.001 0.000 0.193 650 E C -0.627 176.114 176.600 0.236 0.000 0.997 650 E CA 1.488 58.014 56.400 0.211 0.000 0.804 650 E CB -1.071 28.743 29.700 0.190 0.000 0.757 650 E HN 0.436 nan 8.360 nan 0.000 0.448 651 P HA -0.213 nan 4.420 nan 0.000 0.216 651 P C 1.239 178.491 177.300 -0.081 0.000 1.150 651 P CA 1.415 64.621 63.100 0.177 0.000 0.843 651 P CB 0.043 31.830 31.700 0.146 0.000 0.787 652 R N -0.375 120.053 120.500 -0.120 0.000 2.081 652 R HA -0.155 4.186 4.340 0.001 0.000 0.235 652 R C 2.662 178.871 176.300 -0.152 0.000 1.131 652 R CA 1.605 57.513 56.100 -0.320 0.000 0.960 652 R CB -1.923 28.010 30.300 -0.611 0.000 0.856 652 R HN 0.306 nan 8.270 nan 0.000 0.436 653 H N -0.286 118.793 119.070 0.015 0.000 2.353 653 H HA -0.038 4.518 4.556 0.001 0.000 0.300 653 H C 0.915 176.333 175.328 0.150 0.000 1.090 653 H CA 1.556 57.708 56.048 0.173 0.000 1.327 653 H CB 0.168 30.049 29.762 0.198 0.000 1.383 653 H HN 0.195 nan 8.280 nan 0.000 0.508 654 L N 0.114 121.442 121.223 0.174 0.000 2.653 654 L HA 0.146 4.486 4.340 0.001 0.000 0.232 654 L C 1.368 178.449 176.870 0.352 0.000 1.169 654 L CA 0.567 55.548 54.840 0.236 0.000 0.951 654 L CB 0.539 42.838 42.059 0.400 0.000 1.181 654 L HN 0.590 nan 8.230 nan 0.000 0.460 655 G N -0.562 108.252 108.800 0.024 0.000 2.179 655 G HA2 -0.209 3.752 3.960 0.001 0.000 0.220 655 G HA3 -0.209 3.752 3.960 0.001 0.000 0.220 655 G C 0.602 175.023 174.900 -0.799 0.000 0.990 655 G CA -0.342 44.679 45.100 -0.132 0.000 0.646 655 G HN 0.501 nan 8.290 nan 0.000 0.517 656 G N -0.530 107.396 108.800 -1.458 0.000 2.432 656 G HA2 0.472 4.432 3.960 0.001 0.000 0.239 656 G HA3 0.472 4.432 3.960 0.001 0.000 0.239 656 G C 0.606 175.044 174.900 -0.770 0.000 1.291 656 G CA 0.485 44.456 45.100 -1.881 0.000 0.863 656 G HN 0.349 nan 8.290 nan 0.000 0.560 657 R N 0.763 120.957 120.500 -0.510 0.000 2.194 657 R HA 0.508 4.848 4.340 0.001 0.000 0.194 657 R C 0.827 177.052 176.300 -0.125 0.000 0.985 657 R CA 1.048 57.007 56.100 -0.235 0.000 1.104 657 R CB 0.516 30.726 30.300 -0.150 0.000 1.092 657 R HN 0.760 nan 8.270 nan 0.000 0.555 658 A N 0.011 122.765 122.820 -0.110 0.000 2.606 658 A HA 0.666 4.987 4.320 0.001 0.000 0.293 658 A C -1.659 175.927 177.584 0.004 0.000 1.082 658 A CA -0.657 51.348 52.037 -0.054 0.000 0.685 658 A CB 1.397 20.352 19.000 -0.074 0.000 1.284 658 A HN 0.017 nan 8.150 nan 0.000 0.408 659 I N 1.035 121.638 120.570 0.055 0.000 2.533 659 I HA 0.498 4.668 4.170 0.001 0.000 0.290 659 I C -0.996 175.174 176.117 0.089 0.000 1.056 659 I CA -0.349 61.016 61.300 0.108 0.000 1.057 659 I CB 1.327 39.485 38.000 0.264 0.000 1.240 659 I HN 0.541 nan 8.210 nan 0.000 0.423 660 I N 5.240 125.766 120.570 -0.073 0.000 2.439 660 I HA 0.435 4.605 4.170 0.001 0.000 0.285 660 I C 0.087 175.990 176.117 -0.357 0.000 1.021 660 I CA -0.199 60.952 61.300 -0.249 0.000 1.091 660 I CB 2.251 40.052 38.000 -0.333 0.000 1.242 660 I HN 0.704 nan 8.210 nan 0.000 0.439 661 T N 0.828 115.103 114.554 -0.465 0.000 2.887 661 T HA 0.483 4.834 4.350 0.001 0.000 0.292 661 T C 0.531 175.095 174.700 -0.227 0.000 1.087 661 T CA -0.864 60.989 62.100 -0.410 0.000 1.009 661 T CB 2.381 70.750 68.868 -0.832 0.000 1.203 661 T HN 0.461 nan 8.240 nan 0.000 0.518 662 K N 0.520 120.915 120.400 -0.008 0.000 2.062 662 K HA 0.153 4.473 4.320 0.001 0.000 0.205 662 K C 0.822 177.390 176.600 -0.054 0.000 1.051 662 K CA 1.089 57.426 56.287 0.083 0.000 0.941 662 K CB -0.050 32.450 32.500 -0.001 0.000 0.719 662 K HN 0.804 nan 8.250 nan 0.000 0.440 663 S N -0.797 114.808 115.700 -0.158 0.000 2.607 663 S HA 0.583 5.054 4.470 0.001 0.000 0.273 663 S C -1.012 173.455 174.600 -0.220 0.000 1.148 663 S CA -1.092 57.040 58.200 -0.113 0.000 0.833 663 S CB 1.139 64.331 63.200 -0.013 0.000 1.130 663 S HN -0.034 nan 8.310 nan 0.000 0.470 664 F N 0.576 120.595 119.950 0.115 0.000 2.556 664 F HA 0.816 5.343 4.527 0.001 0.000 0.327 664 F C 0.683 176.559 175.800 0.126 0.000 1.059 664 F CA -0.520 57.578 58.000 0.163 0.000 0.953 664 F CB 1.878 40.970 39.000 0.154 0.000 1.227 664 F HN 0.970 nan 8.300 nan 0.000 0.478 665 A N 1.938 124.981 122.820 0.372 0.000 2.304 665 A HA 0.411 4.732 4.320 0.001 0.000 0.301 665 A C 1.406 179.135 177.584 0.241 0.000 1.132 665 A CA -0.529 51.647 52.037 0.233 0.000 0.819 665 A CB 0.714 19.822 19.000 0.179 0.000 1.094 665 A HN 0.958 nan 8.150 nan 0.000 0.492 666 R N 1.451 122.051 120.500 0.166 0.000 2.080 666 R HA -0.152 4.188 4.340 0.001 0.000 0.236 666 R C 1.335 177.705 176.300 0.117 0.000 1.137 666 R CA 2.271 58.449 56.100 0.131 0.000 0.943 666 R CB -0.380 29.982 30.300 0.104 0.000 0.846 666 R HN 0.846 nan 8.270 nan 0.000 0.431 667 I N -0.309 120.341 120.570 0.133 0.000 2.252 667 I HA -0.238 3.932 4.170 0.001 0.000 0.245 667 I C 2.486 178.684 176.117 0.136 0.000 1.102 667 I CA 1.359 62.737 61.300 0.129 0.000 1.385 667 I CB -0.530 37.546 38.000 0.127 0.000 1.064 667 I HN 0.324 nan 8.210 nan 0.000 0.414 668 H N 1.051 120.161 119.070 0.067 0.000 2.387 668 H HA -0.199 4.357 4.556 0.001 0.000 0.299 668 H C 2.114 177.430 175.328 -0.020 0.000 1.090 668 H CA 1.907 57.986 56.048 0.052 0.000 1.332 668 H CB -0.002 29.816 29.762 0.094 0.000 1.386 668 H HN 0.326 nan 8.280 nan 0.000 0.516 669 E N -0.980 119.118 120.200 -0.169 0.000 2.072 669 E HA -0.147 4.203 4.350 0.001 0.000 0.191 669 E C 1.756 178.186 176.600 -0.284 0.000 0.985 669 E CA 1.578 57.726 56.400 -0.419 0.000 0.801 669 E CB 0.108 29.635 29.700 -0.288 0.000 0.750 669 E HN 0.509 nan 8.360 nan 0.000 0.452 670 T N 0.717 115.200 114.554 -0.118 0.000 2.674 670 T HA -0.143 4.208 4.350 0.001 0.000 0.265 670 T C 1.561 176.235 174.700 -0.044 0.000 1.039 670 T CA 1.552 63.628 62.100 -0.040 0.000 1.150 670 T CB -0.497 68.401 68.868 0.049 0.000 0.864 670 T HN 0.307 nan 8.240 nan 0.000 0.427 671 N N 0.909 119.577 118.700 -0.052 0.000 2.061 671 N HA -0.077 4.663 4.740 0.001 0.000 0.193 671 N C 1.819 177.264 175.510 -0.110 0.000 1.030 671 N CA 1.011 54.030 53.050 -0.051 0.000 0.856 671 N CB -0.388 38.116 38.487 0.028 0.000 1.023 671 N HN 0.280 nan 8.380 nan 0.000 0.424 672 L N 1.020 122.099 121.223 -0.241 0.000 2.131 672 L HA -0.163 4.178 4.340 0.001 0.000 0.210 672 L C 1.960 178.780 176.870 -0.082 0.000 1.092 672 L CA 1.242 55.962 54.840 -0.200 0.000 0.759 672 L CB -0.242 41.624 42.059 -0.322 0.000 0.903 672 L HN 0.155 nan 8.230 nan 0.000 0.435 673 K N -0.641 119.718 120.400 -0.069 0.000 2.296 673 K HA -0.050 4.271 4.320 0.001 0.000 0.200 673 K C 2.038 178.791 176.600 0.256 0.000 1.048 673 K CA 0.364 56.702 56.287 0.084 0.000 0.966 673 K CB 0.073 32.496 32.500 -0.128 0.000 0.754 673 K HN 0.074 nan 8.250 nan 0.000 0.466 674 K N 0.877 121.298 120.400 0.035 0.000 2.097 674 K HA -0.063 4.258 4.320 0.001 0.000 0.205 674 K C 1.581 178.112 176.600 -0.114 0.000 1.050 674 K CA 1.155 57.295 56.287 -0.246 0.000 0.938 674 K CB 0.123 32.435 32.500 -0.312 0.000 0.718 674 K HN 0.141 nan 8.250 nan 0.000 0.442 675 Q N -0.409 119.373 119.800 -0.029 0.000 2.282 675 Q HA 0.120 4.461 4.340 0.001 0.000 0.205 675 Q C 0.775 176.749 176.000 -0.044 0.000 0.915 675 Q CA 0.452 56.256 55.803 0.001 0.000 0.949 675 Q CB 0.489 29.209 28.738 -0.030 0.000 1.035 675 Q HN 0.517 nan 8.270 nan 0.000 0.484 676 G N 0.342 109.182 108.800 0.067 0.000 2.176 676 G HA2 -0.272 3.688 3.960 0.001 0.000 0.253 676 G HA3 -0.272 3.688 3.960 0.001 0.000 0.253 676 G C 0.069 175.053 174.900 0.140 0.000 0.979 676 G CA 0.120 45.279 45.100 0.098 0.000 0.641 676 G HN 0.318 nan 8.290 nan 0.000 0.530 677 L N -0.326 120.952 121.223 0.091 0.000 2.448 677 L HA 0.705 5.046 4.340 0.001 0.000 0.258 677 L C 0.917 177.894 176.870 0.178 0.000 1.104 677 L CA -0.983 53.904 54.840 0.077 0.000 0.800 677 L CB 1.017 43.057 42.059 -0.031 0.000 1.241 677 L HN 0.022 nan 8.230 nan 0.000 0.472 678 L N 3.306 124.572 121.223 0.072 0.000 2.313 678 L HA 0.355 4.696 4.340 0.001 0.000 0.273 678 L C -2.243 174.648 176.870 0.035 0.000 1.028 678 L CA -1.659 53.197 54.840 0.025 0.000 0.871 678 L CB 1.157 43.086 42.059 -0.217 0.000 1.242 678 L HN 0.268 nan 8.230 nan 0.000 0.434 679 P HA 0.271 nan 4.420 nan 0.000 0.281 679 P C -1.037 176.359 177.300 0.158 0.000 1.286 679 P CA -0.042 63.008 63.100 -0.084 0.000 0.772 679 P CB 0.991 32.306 31.700 -0.641 0.000 0.862 680 L N 3.325 124.697 121.223 0.249 0.000 2.381 680 L HA 0.584 4.924 4.340 0.001 0.000 0.268 680 L C 0.602 177.519 176.870 0.079 0.000 0.997 680 L CA -0.641 54.284 54.840 0.142 0.000 0.818 680 L CB 2.485 44.528 42.059 -0.027 0.000 1.310 680 L HN 0.281 nan 8.230 nan 0.000 0.416 681 T N -1.897 112.681 114.554 0.041 0.000 2.888 681 T HA 0.601 4.951 4.350 0.001 0.000 0.284 681 T C -0.325 174.295 174.700 -0.132 0.000 1.017 681 T CA -0.650 61.408 62.100 -0.071 0.000 1.022 681 T CB 1.131 70.037 68.868 0.063 0.000 1.013 681 T HN 0.083 nan 8.240 nan 0.000 0.465 682 F N 1.293 121.257 119.950 0.024 0.000 2.543 682 F HA 0.408 4.935 4.527 0.001 0.000 0.375 682 F C 1.731 177.539 175.800 0.014 0.000 1.075 682 F CA -0.724 57.286 58.000 0.017 0.000 1.225 682 F CB 0.142 39.151 39.000 0.015 0.000 1.099 682 F HN 0.856 nan 8.300 nan 0.000 0.561 683 A N 1.541 124.476 122.820 0.191 0.000 2.067 683 A HA -0.104 4.216 4.320 0.001 0.000 0.219 683 A C 0.662 178.307 177.584 0.102 0.000 1.158 683 A CA 1.368 53.471 52.037 0.109 0.000 0.661 683 A CB -0.361 18.682 19.000 0.072 0.000 0.801 683 A HN 0.644 nan 8.150 nan 0.000 0.452 684 D N -1.486 118.988 120.400 0.124 0.000 2.469 684 D HA 0.276 4.916 4.640 0.001 0.000 0.251 684 D C -2.077 174.237 176.300 0.023 0.000 1.173 684 D CA -2.203 51.831 54.000 0.058 0.000 0.882 684 D CB 1.572 42.386 40.800 0.023 0.000 1.129 684 D HN -0.041 nan 8.370 nan 0.000 0.549 685 P HA -0.160 nan 4.420 nan 0.000 0.223 685 P C 0.887 178.064 177.300 -0.206 0.000 1.140 685 P CA 0.681 63.740 63.100 -0.067 0.000 0.783 685 P CB 0.293 31.976 31.700 -0.027 0.000 0.759 686 A N -0.049 122.680 122.820 -0.152 0.000 2.072 686 A HA -0.074 4.246 4.320 0.001 0.000 0.216 686 A C 1.797 179.257 177.584 -0.207 0.000 1.156 686 A CA 0.862 52.817 52.037 -0.137 0.000 0.701 686 A CB -0.818 18.138 19.000 -0.073 0.000 0.816 686 A HN 0.017 nan 8.150 nan 0.000 0.458 687 D N -1.128 119.089 120.400 -0.304 0.000 2.315 687 D HA -0.209 4.432 4.640 0.001 0.000 0.211 687 D C 1.290 177.196 176.300 -0.656 0.000 0.977 687 D CA 1.127 54.891 54.000 -0.393 0.000 0.894 687 D CB -0.416 40.208 40.800 -0.292 0.000 0.910 687 D HN 0.706 nan 8.370 nan 0.000 0.490 688 Y N 1.716 121.393 120.300 -1.038 0.000 2.256 688 Y HA -0.198 4.353 4.550 0.001 0.000 0.288 688 Y C 1.571 177.279 175.900 -0.321 0.000 1.155 688 Y CA 1.338 59.005 58.100 -0.722 0.000 1.203 688 Y CB -0.039 38.141 38.460 -0.468 0.000 0.980 688 Y HN -0.037 nan 8.280 nan 0.000 0.530 689 N N 0.170 118.808 118.700 -0.103 0.000 2.463 689 N HA -0.066 4.674 4.740 0.001 0.000 0.181 689 N C 1.159 176.598 175.510 -0.119 0.000 1.078 689 N CA 0.792 53.796 53.050 -0.077 0.000 0.902 689 N CB -0.065 38.428 38.487 0.010 0.000 0.970 689 N HN 0.487 nan 8.380 nan 0.000 0.451 690 K N 0.373 120.670 120.400 -0.172 0.000 2.365 690 K HA 0.202 4.522 4.320 0.001 0.000 0.197 690 K C 0.517 176.862 176.600 -0.426 0.000 1.042 690 K CA 0.402 56.599 56.287 -0.149 0.000 0.987 690 K CB 0.671 33.135 32.500 -0.060 0.000 0.779 690 K HN 0.107 nan 8.250 nan 0.000 0.484 691 I N 1.775 122.044 120.570 -0.502 0.000 2.359 691 I HA 0.152 4.322 4.170 0.001 0.000 0.294 691 I C -0.681 175.048 176.117 -0.647 0.000 0.987 691 I CA -0.740 60.242 61.300 -0.530 0.000 1.225 691 I CB 1.119 38.975 38.000 -0.241 0.000 1.366 691 I HN 0.104 nan 8.210 nan 0.000 0.466 692 H N 5.884 124.929 119.070 -0.041 0.000 2.637 692 H HA 0.281 4.837 4.556 0.001 0.000 0.363 692 H C -1.978 173.333 175.328 -0.028 0.000 1.131 692 H CA -2.074 53.955 56.048 -0.031 0.000 1.183 692 H CB 1.044 30.816 29.762 0.017 0.000 1.637 692 H HN 0.330 nan 8.280 nan 0.000 0.531 693 P HA -0.208 nan 4.420 nan 0.000 0.221 693 P C 1.229 178.552 177.300 0.038 0.000 1.141 693 P CA 0.823 63.946 63.100 0.037 0.000 0.794 693 P CB 0.391 32.116 31.700 0.042 0.000 0.764 694 V N -0.471 119.484 119.914 0.069 0.000 3.235 694 V HA 0.008 4.128 4.120 0.001 0.000 0.259 694 V C 0.659 176.777 176.094 0.041 0.000 1.133 694 V CA 0.801 63.130 62.300 0.049 0.000 1.128 694 V CB -0.549 31.310 31.823 0.060 0.000 0.757 694 V HN 0.031 nan 8.190 nan 0.000 0.469 695 D N 1.075 121.503 120.400 0.048 0.000 2.354 695 D HA 0.302 4.942 4.640 0.001 0.000 0.247 695 D C -0.241 176.035 176.300 -0.038 0.000 1.138 695 D CA -0.055 53.944 54.000 -0.002 0.000 0.958 695 D CB 0.776 41.539 40.800 -0.061 0.000 1.144 695 D HN 0.143 nan 8.370 nan 0.000 0.458 696 K N 0.895 121.261 120.400 -0.058 0.000 2.259 696 K HA 0.550 4.870 4.320 0.001 0.000 0.252 696 K C -0.482 176.078 176.600 -0.067 0.000 0.936 696 K CA -0.664 55.591 56.287 -0.053 0.000 0.810 696 K CB 1.955 34.430 32.500 -0.042 0.000 1.143 696 K HN 0.322 nan 8.250 nan 0.000 0.427 697 L N 1.277 122.469 121.223 -0.053 0.000 2.365 697 L HA 0.478 4.819 4.340 0.001 0.000 0.273 697 L C -0.172 176.672 176.870 -0.044 0.000 1.000 697 L CA -0.795 54.013 54.840 -0.054 0.000 0.819 697 L CB 2.141 44.172 42.059 -0.046 0.000 1.284 697 L HN 0.423 nan 8.230 nan 0.000 0.418 698 T N 3.944 118.472 114.554 -0.044 0.000 2.791 698 T HA 0.501 4.851 4.350 0.001 0.000 0.288 698 T C -0.097 174.573 174.700 -0.050 0.000 0.999 698 T CA -0.374 61.703 62.100 -0.039 0.000 0.952 698 T CB 0.972 69.823 68.868 -0.029 0.000 0.938 698 T HN 0.192 nan 8.240 nan 0.000 0.444 699 I N 3.901 124.433 120.570 -0.063 0.000 2.325 699 I HA 0.353 4.524 4.170 0.001 0.000 0.291 699 I C 0.355 176.418 176.117 -0.090 0.000 1.019 699 I CA -0.359 60.880 61.300 -0.101 0.000 1.302 699 I CB 1.044 38.951 38.000 -0.154 0.000 1.401 699 I HN 0.646 nan 8.210 nan 0.000 0.485 700 Q N 3.772 123.518 119.800 -0.090 0.000 2.387 700 Q HA 0.574 4.915 4.340 0.001 0.000 0.273 700 Q C 0.380 176.329 176.000 -0.084 0.000 1.089 700 Q CA -0.279 55.487 55.803 -0.062 0.000 0.824 700 Q CB 2.173 30.889 28.738 -0.036 0.000 1.367 700 Q HN 0.906 nan 8.270 nan 0.000 0.443 701 G N 2.674 111.445 108.800 -0.049 0.000 2.142 701 G HA2 -0.192 3.769 3.960 0.001 0.000 0.225 701 G HA3 -0.192 3.769 3.960 0.001 0.000 0.225 701 G C 0.127 174.961 174.900 -0.111 0.000 1.015 701 G CA 0.084 45.155 45.100 -0.048 0.000 0.716 701 G HN 0.494 nan 8.290 nan 0.000 0.508 702 L N -0.642 120.508 121.223 -0.122 0.000 2.217 702 L HA 0.177 4.517 4.340 0.001 0.000 0.211 702 L C 2.631 179.507 176.870 0.010 0.000 1.107 702 L CA 2.269 56.961 54.840 -0.247 0.000 0.783 702 L CB -0.674 41.300 42.059 -0.142 0.000 0.919 702 L HN 0.352 nan 8.230 nan 0.000 0.442 703 K N 0.547 121.071 120.400 0.206 0.000 2.097 703 K HA -0.123 4.197 4.320 0.001 0.000 0.205 703 K C 0.469 177.182 176.600 0.189 0.000 1.050 703 K CA 1.237 57.718 56.287 0.322 0.000 0.938 703 K CB -0.204 32.437 32.500 0.236 0.000 0.718 703 K HN 0.432 nan 8.250 nan 0.000 0.442 704 D N -0.493 119.972 120.400 0.107 0.000 3.035 704 D HA 0.020 4.661 4.640 0.001 0.000 0.290 704 D C -0.484 175.869 176.300 0.090 0.000 1.360 704 D CA -0.610 53.441 54.000 0.084 0.000 0.862 704 D CB -0.319 40.518 40.800 0.061 0.000 1.078 704 D HN -0.147 nan 8.370 nan 0.000 0.487 705 F N 2.232 122.095 119.950 -0.146 0.000 2.607 705 F HA 0.388 4.915 4.527 0.001 0.000 0.374 705 F C 0.142 175.830 175.800 -0.188 0.000 1.104 705 F CA -1.099 56.739 58.000 -0.271 0.000 1.296 705 F CB 0.201 38.919 39.000 -0.470 0.000 1.085 705 F HN 0.304 nan 8.300 nan 0.000 0.584 706 A N 6.911 129.756 122.820 0.041 0.000 2.589 706 A HA 0.624 4.945 4.320 0.001 0.000 0.296 706 A C -2.985 174.652 177.584 0.089 0.000 1.062 706 A CA -1.544 50.470 52.037 -0.037 0.000 0.686 706 A CB 1.420 20.436 19.000 0.027 0.000 1.282 706 A HN 0.438 nan 8.150 nan 0.000 0.404 707 P HA 0.363 nan 4.420 nan 0.000 0.268 707 P C 1.211 178.537 177.300 0.045 0.000 1.204 707 P CA 1.982 65.135 63.100 0.090 0.000 0.768 707 P CB 0.909 32.615 31.700 0.010 0.000 0.842 708 G N 2.395 111.171 108.800 -0.039 0.000 2.458 708 G HA2 -0.302 3.659 3.960 0.001 0.000 0.237 708 G HA3 -0.302 3.659 3.960 0.001 0.000 0.237 708 G C 0.388 175.251 174.900 -0.061 0.000 1.113 708 G CA 0.017 45.073 45.100 -0.074 0.000 0.655 708 G HN 0.697 nan 8.290 nan 0.000 0.513 709 K N 3.059 123.478 120.400 0.032 0.000 2.363 709 K HA 0.309 4.629 4.320 0.001 0.000 0.289 709 K C -1.790 174.884 176.600 0.123 0.000 1.063 709 K CA -1.196 55.135 56.287 0.073 0.000 0.967 709 K CB 0.876 33.436 32.500 0.099 0.000 0.987 709 K HN 0.278 nan 8.250 nan 0.000 0.473 710 P HA 0.066 nan 4.420 nan 0.000 0.272 710 P C -0.504 176.846 177.300 0.082 0.000 1.240 710 P CA -0.148 62.994 63.100 0.071 0.000 0.791 710 P CB 0.789 32.502 31.700 0.020 0.000 0.978 711 L N 0.626 121.877 121.223 0.047 0.000 2.330 711 L HA 0.462 4.802 4.340 0.001 0.000 0.271 711 L C 0.720 177.566 176.870 -0.039 0.000 1.013 711 L CA -0.983 53.827 54.840 -0.050 0.000 0.816 711 L CB 1.386 43.336 42.059 -0.183 0.000 1.287 711 L HN 0.247 nan 8.230 nan 0.000 0.435 712 K N 0.990 121.362 120.400 -0.046 0.000 2.159 712 K HA 0.473 4.793 4.320 0.001 0.000 0.266 712 K C -1.114 175.463 176.600 -0.038 0.000 0.975 712 K CA -0.517 55.755 56.287 -0.026 0.000 0.865 712 K CB 1.962 34.452 32.500 -0.016 0.000 1.087 712 K HN 0.451 nan 8.250 nan 0.000 0.446 713 C N 4.461 123.749 119.300 -0.021 0.000 2.301 713 C HA 0.486 4.946 4.460 0.001 0.000 0.323 713 C C -0.707 174.273 174.990 -0.018 0.000 1.265 713 C CA -0.811 58.191 59.018 -0.027 0.000 1.503 713 C CB -0.713 27.015 27.740 -0.019 0.000 2.195 713 C HN 0.739 nan 8.230 nan 0.000 0.477 714 I N 7.743 128.296 120.570 -0.029 0.000 2.291 714 I HA 0.309 4.480 4.170 0.001 0.000 0.292 714 I C 0.399 176.481 176.117 -0.059 0.000 1.064 714 I CA 0.116 61.397 61.300 -0.030 0.000 1.269 714 I CB 0.623 38.609 38.000 -0.023 0.000 1.418 714 I HN 0.507 nan 8.210 nan 0.000 0.485 715 I N 6.976 127.494 120.570 -0.086 0.000 2.329 715 I HA 0.121 4.291 4.170 0.001 0.000 0.295 715 I C 0.429 176.390 176.117 -0.261 0.000 1.109 715 I CA -0.317 60.867 61.300 -0.193 0.000 1.297 715 I CB -0.250 37.596 38.000 -0.257 0.000 1.433 715 I HN 0.396 nan 8.210 nan 0.000 0.509 716 K N 6.123 126.412 120.400 -0.185 0.000 2.284 716 K HA 0.272 4.592 4.320 0.001 0.000 0.287 716 K C -0.301 176.219 176.600 -0.133 0.000 1.081 716 K CA -0.449 55.771 56.287 -0.111 0.000 0.910 716 K CB 0.365 32.837 32.500 -0.048 0.000 1.088 716 K HN 0.448 nan 8.250 nan 0.000 0.478 717 H N 2.875 121.967 119.070 0.036 0.000 2.511 717 H HA 0.046 4.603 4.556 0.001 0.000 0.346 717 H C -1.694 173.650 175.328 0.027 0.000 1.128 717 H CA -2.170 53.909 56.048 0.052 0.000 1.342 717 H CB 1.149 30.948 29.762 0.062 0.000 1.470 717 H HN 0.407 nan 8.280 nan 0.000 0.546 718 P HA -0.156 nan 4.420 nan 0.000 0.219 718 P C 0.935 178.266 177.300 0.051 0.000 1.146 718 P CA 1.170 64.311 63.100 0.069 0.000 0.808 718 P CB 0.232 31.963 31.700 0.051 0.000 0.779 719 N N -1.268 117.468 118.700 0.060 0.000 2.461 719 N HA 0.068 4.809 4.740 0.001 0.000 0.188 719 N C 1.300 176.831 175.510 0.035 0.000 1.134 719 N CA 0.850 53.919 53.050 0.031 0.000 0.878 719 N CB -0.902 37.588 38.487 0.006 0.000 0.972 719 N HN 0.215 nan 8.380 nan 0.000 0.456 720 G N -1.246 107.588 108.800 0.056 0.000 2.213 720 G HA2 -0.263 3.697 3.960 0.001 0.000 0.236 720 G HA3 -0.263 3.697 3.960 0.001 0.000 0.236 720 G C 0.025 174.963 174.900 0.064 0.000 0.991 720 G CA 0.273 45.401 45.100 0.047 0.000 0.629 720 G HN 0.449 nan 8.290 nan 0.000 0.517 721 T N 2.486 117.094 114.554 0.091 0.000 2.853 721 T HA 0.459 4.810 4.350 0.001 0.000 0.298 721 T C 0.438 175.265 174.700 0.212 0.000 0.978 721 T CA 0.492 62.661 62.100 0.115 0.000 1.152 721 T CB 1.235 70.135 68.868 0.052 0.000 0.914 721 T HN 0.483 nan 8.240 nan 0.000 0.539 722 Q N 1.920 121.805 119.800 0.142 0.000 2.195 722 Q HA 0.562 4.902 4.340 0.001 0.000 0.250 722 Q C -0.363 175.717 176.000 0.132 0.000 0.988 722 Q CA -0.835 55.038 55.803 0.117 0.000 0.911 722 Q CB 1.681 30.451 28.738 0.053 0.000 1.258 722 Q HN 0.624 nan 8.270 nan 0.000 0.475 723 E N 0.357 120.605 120.200 0.080 0.000 2.335 723 E HA 0.273 4.623 4.350 0.001 0.000 0.280 723 E C -1.560 175.060 176.600 0.032 0.000 0.918 723 E CA -0.371 56.074 56.400 0.076 0.000 0.765 723 E CB 2.351 32.124 29.700 0.121 0.000 1.218 723 E HN 0.362 nan 8.360 nan 0.000 0.425 724 T N 3.154 117.726 114.554 0.031 0.000 2.795 724 T HA 0.568 4.918 4.350 0.001 0.000 0.282 724 T C 0.089 174.808 174.700 0.031 0.000 0.980 724 T CA -0.486 61.627 62.100 0.021 0.000 1.012 724 T CB 0.288 69.166 68.868 0.017 0.000 0.936 724 T HN 0.394 nan 8.240 nan 0.000 0.457 725 I N 0.520 121.113 120.570 0.038 0.000 2.957 725 I HA 0.694 4.864 4.170 0.001 0.000 0.310 725 I C -1.291 174.862 176.117 0.059 0.000 1.063 725 I CA -1.451 59.886 61.300 0.062 0.000 1.033 725 I CB 1.717 39.780 38.000 0.105 0.000 1.230 725 I HN 0.388 nan 8.210 nan 0.000 0.447 726 L N 3.908 125.172 121.223 0.069 0.000 2.325 726 L HA 0.604 4.945 4.340 0.001 0.000 0.278 726 L C -0.868 176.040 176.870 0.064 0.000 1.023 726 L CA -0.797 54.073 54.840 0.050 0.000 0.811 726 L CB 1.971 44.053 42.059 0.039 0.000 1.249 726 L HN 0.507 nan 8.230 nan 0.000 0.431 727 L N 2.931 124.171 121.223 0.028 0.000 2.385 727 L HA 0.488 4.828 4.340 0.001 0.000 0.273 727 L C -0.505 176.385 176.870 0.033 0.000 0.990 727 L CA -0.678 54.166 54.840 0.007 0.000 0.821 727 L CB 1.933 43.957 42.059 -0.059 0.000 1.279 727 L HN 0.563 nan 8.230 nan 0.000 0.412 728 N N 0.937 119.657 118.700 0.033 0.000 2.489 728 N HA 0.482 5.223 4.740 0.001 0.000 0.284 728 N C -0.944 174.622 175.510 0.095 0.000 1.158 728 N CA -0.533 52.521 53.050 0.006 0.000 0.965 728 N CB 1.531 40.003 38.487 -0.025 0.000 1.195 728 N HN 0.629 nan 8.380 nan 0.000 0.506 729 H N -3.863 115.279 119.070 0.121 0.000 2.865 729 H HA 0.329 4.885 4.556 0.001 0.000 0.362 729 H C -0.091 175.378 175.328 0.236 0.000 1.114 729 H CA -0.892 55.292 56.048 0.226 0.000 1.208 729 H CB 0.540 30.477 29.762 0.292 0.000 1.727 729 H HN 0.400 nan 8.280 nan 0.000 0.534 730 T N 0.477 115.203 114.554 0.285 0.000 3.366 730 T HA 0.188 4.538 4.350 0.001 0.000 0.249 730 T C -0.219 174.636 174.700 0.259 0.000 1.028 730 T CA -0.419 61.797 62.100 0.192 0.000 0.938 730 T CB -1.222 67.722 68.868 0.126 0.000 1.046 730 T HN 0.294 nan 8.240 nan 0.000 0.587 731 F N 3.997 124.065 119.950 0.196 0.000 2.484 731 F HA 0.390 4.917 4.527 0.001 0.000 0.360 731 F C 0.998 176.729 175.800 -0.115 0.000 1.101 731 F CA -1.146 56.808 58.000 -0.077 0.000 1.251 731 F CB 0.461 39.263 39.000 -0.330 0.000 1.132 731 F HN 0.332 nan 8.300 nan 0.000 0.570 732 N N 0.966 119.604 118.700 -0.103 0.000 2.518 732 N HA 0.161 4.901 4.740 0.001 0.000 0.284 732 N C 0.497 175.866 175.510 -0.234 0.000 1.230 732 N CA -0.593 52.387 53.050 -0.117 0.000 0.941 732 N CB 0.470 38.893 38.487 -0.107 0.000 1.219 732 N HN 0.417 nan 8.380 nan 0.000 0.560 733 E N -0.319 119.760 120.200 -0.201 0.000 2.265 733 E HA -0.074 4.276 4.350 0.001 0.000 0.196 733 E C 0.903 177.342 176.600 -0.269 0.000 0.996 733 E CA 0.916 57.183 56.400 -0.222 0.000 0.832 733 E CB -0.427 29.188 29.700 -0.142 0.000 0.756 733 E HN 0.705 nan 8.360 nan 0.000 0.491 734 T N 1.004 115.354 114.554 -0.339 0.000 2.708 734 T HA -0.162 4.188 4.350 0.001 0.000 0.266 734 T C 1.851 176.049 174.700 -0.837 0.000 1.037 734 T CA 1.276 63.115 62.100 -0.435 0.000 1.146 734 T CB -0.072 68.543 68.868 -0.422 0.000 0.865 734 T HN 0.267 nan 8.240 nan 0.000 0.435 735 Q N 0.018 119.214 119.800 -1.006 0.000 2.167 735 Q HA 0.065 4.405 4.340 0.001 0.000 0.202 735 Q C 2.291 178.094 176.000 -0.328 0.000 0.970 735 Q CA 0.978 56.069 55.803 -1.186 0.000 0.855 735 Q CB -0.248 27.885 28.738 -1.008 0.000 0.911 735 Q HN 0.512 nan 8.270 nan 0.000 0.438 736 I N 0.785 121.209 120.570 -0.243 0.000 2.394 736 I HA -0.214 3.957 4.170 0.001 0.000 0.251 736 I C 1.996 178.092 176.117 -0.035 0.000 1.136 736 I CA 0.755 61.922 61.300 -0.221 0.000 1.425 736 I CB -0.106 37.580 38.000 -0.524 0.000 1.079 736 I HN 0.169 nan 8.210 nan 0.000 0.425 737 E N 0.244 120.395 120.200 -0.082 0.000 2.153 737 E HA -0.215 4.135 4.350 0.001 0.000 0.194 737 E C 1.932 178.665 176.600 0.221 0.000 0.988 737 E CA 1.119 57.550 56.400 0.052 0.000 0.811 737 E CB -0.166 29.553 29.700 0.031 0.000 0.746 737 E HN 0.544 nan 8.360 nan 0.000 0.466 738 W N 0.502 121.848 121.300 0.077 0.000 2.354 738 W HA -0.131 4.529 4.660 0.001 0.000 0.315 738 W C 2.264 178.859 176.519 0.127 0.000 1.206 738 W CA 0.190 57.587 57.345 0.087 0.000 1.290 738 W CB -1.646 27.857 29.460 0.072 0.000 1.152 738 W HN 0.078 nan 8.180 nan 0.000 0.489 739 F N 1.677 121.801 119.950 0.289 0.000 2.095 739 F HA -0.203 4.325 4.527 0.001 0.000 0.298 739 F C 2.464 178.308 175.800 0.074 0.000 1.104 739 F CA 2.112 60.202 58.000 0.149 0.000 1.232 739 F CB -0.564 38.491 39.000 0.091 0.000 0.987 739 F HN -0.246 nan 8.300 nan 0.000 0.475 740 R N 0.174 120.666 120.500 -0.013 0.000 2.105 740 R HA -0.138 4.202 4.340 0.001 0.000 0.239 740 R C 2.325 178.649 176.300 0.041 0.000 1.135 740 R CA 1.323 57.414 56.100 -0.015 0.000 0.967 740 R CB -0.860 29.538 30.300 0.164 0.000 0.861 740 R HN 0.424 nan 8.270 nan 0.000 0.442 741 A N -0.555 122.306 122.820 0.069 0.000 2.119 741 A HA 0.161 4.482 4.320 0.001 0.000 0.216 741 A C 1.609 179.225 177.584 0.053 0.000 1.152 741 A CA 1.186 53.267 52.037 0.074 0.000 0.708 741 A CB 0.024 19.087 19.000 0.105 0.000 0.805 741 A HN 0.499 nan 8.150 nan 0.000 0.460 742 G N -1.674 107.139 108.800 0.022 0.000 2.232 742 G HA2 -0.064 3.896 3.960 0.001 0.000 0.226 742 G HA3 -0.064 3.896 3.960 0.001 0.000 0.226 742 G C 0.298 175.272 174.900 0.122 0.000 0.996 742 G CA 0.445 45.571 45.100 0.043 0.000 0.626 742 G HN 2.123 nan 8.290 nan 0.000 0.509 743 S N -1.937 113.838 115.700 0.126 0.000 2.683 743 S HA 0.778 5.249 4.470 0.001 0.000 0.278 743 S C 0.918 175.522 174.600 0.007 0.000 1.059 743 S CA 0.598 58.858 58.200 0.099 0.000 0.847 743 S CB 0.823 64.116 63.200 0.155 0.000 1.078 743 S HN 1.847 nan 8.310 nan 0.000 0.456 744 A N 1.008 123.690 122.820 -0.230 0.000 1.873 744 A HA -0.067 4.253 4.320 0.001 0.000 0.218 744 A C 2.065 179.510 177.584 -0.231 0.000 1.193 744 A CA 2.171 53.882 52.037 -0.543 0.000 0.629 744 A CB -1.100 17.238 19.000 -1.102 0.000 0.826 744 A HN 1.308 nan 8.150 nan 0.000 0.447 745 L N 0.411 121.527 121.223 -0.178 0.000 2.079 745 L HA -0.189 4.151 4.340 0.001 0.000 0.210 745 L C 1.750 178.582 176.870 -0.064 0.000 1.081 745 L CA 2.225 56.998 54.840 -0.111 0.000 0.752 745 L CB -0.820 41.175 42.059 -0.106 0.000 0.896 745 L HN 0.379 nan 8.230 nan 0.000 0.433 746 N N -0.787 117.897 118.700 -0.027 0.000 2.309 746 N HA -0.147 4.594 4.740 0.001 0.000 0.182 746 N C 1.920 177.440 175.510 0.016 0.000 1.018 746 N CA 0.545 53.593 53.050 -0.004 0.000 0.876 746 N CB -0.324 38.180 38.487 0.028 0.000 0.972 746 N HN 0.255 nan 8.380 nan 0.000 0.434 747 R N 0.934 121.455 120.500 0.035 0.000 2.075 747 R HA 0.110 4.450 4.340 0.001 0.000 0.226 747 R C 1.976 178.305 176.300 0.048 0.000 1.114 747 R CA 0.615 56.760 56.100 0.075 0.000 0.972 747 R CB -0.570 29.832 30.300 0.170 0.000 0.869 747 R HN 0.282 nan 8.270 nan 0.000 0.437 748 M N 0.502 120.110 119.600 0.013 0.000 2.175 748 M HA -0.153 4.327 4.480 0.001 0.000 0.264 748 M C 1.602 177.893 176.300 -0.015 0.000 1.063 748 M CA 1.661 56.960 55.300 -0.000 0.000 1.119 748 M CB -0.019 32.561 32.600 -0.033 0.000 1.377 748 M HN -0.042 nan 8.290 nan 0.000 0.415 749 K N 0.108 120.492 120.400 -0.028 0.000 2.155 749 K HA -0.129 4.191 4.320 0.001 0.000 0.203 749 K C 1.671 178.263 176.600 -0.013 0.000 1.052 749 K CA 1.473 57.740 56.287 -0.032 0.000 0.948 749 K CB -0.104 32.370 32.500 -0.044 0.000 0.728 749 K HN 0.549 nan 8.250 nan 0.000 0.448 750 E N 1.205 121.407 120.200 0.004 0.000 2.051 750 E HA -0.159 4.191 4.350 0.001 0.000 0.192 750 E C 1.963 178.570 176.600 0.012 0.000 0.991 750 E CA 0.902 57.309 56.400 0.011 0.000 0.799 750 E CB -0.187 29.529 29.700 0.026 0.000 0.748 750 E HN 0.195 nan 8.360 nan 0.000 0.449 751 L N 1.111 122.345 121.223 0.019 0.000 2.349 751 L HA -0.203 4.137 4.340 0.001 0.000 0.220 751 L C 1.001 177.877 176.870 0.010 0.000 1.130 751 L CA 0.857 55.709 54.840 0.019 0.000 0.791 751 L CB -0.369 41.708 42.059 0.030 0.000 0.918 751 L HN 0.138 nan 8.230 nan 0.000 0.444 752 Q N 1.416 121.215 119.800 -0.001 0.000 3.184 752 Q HA 0.000 4.340 4.340 0.001 0.000 0.288 752 Q C 0.327 176.324 176.000 -0.004 0.000 1.412 752 Q CA -0.184 55.614 55.803 -0.007 0.000 0.991 752 Q CB -0.148 28.578 28.738 -0.021 0.000 1.688 752 Q HN 0.324 nan 8.270 nan 0.000 0.554 753 Q N 0.462 120.263 119.800 0.001 0.000 2.260 753 Q HA -0.317 4.023 4.340 0.001 0.000 0.298 753 Q C -0.802 175.198 176.000 -0.000 0.000 1.123 753 Q CA 1.520 57.325 55.803 0.002 0.000 0.953 753 Q CB -1.609 27.130 28.738 0.003 0.000 1.297 753 Q HN 0.554 nan 8.270 nan 0.000 0.532 754 K N 0.000 120.399 120.400 -0.002 0.000 2.780 754 K HA 0.000 4.320 4.320 0.001 0.000 0.191 754 K CA 0.000 56.285 56.287 -0.004 0.000 0.838 754 K CB 0.000 32.496 32.500 -0.007 0.000 1.064 754 K HN 0.000 nan 8.250 nan 0.000 0.543