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 1ekm_1_B DATA FIRST_RESID 17 DATA SEQUENCE APARPAHPLD PLSTAEIKAA TNTVKSYFAG KKISFNTVTL REPARKAYIQ DATA SEQUENCE WKEQGGPLPP RLAYYVILEA GKPGVKEGLV DLASLSVIET RALETVQPIL DATA SEQUENCE TVEDLCSTEE VIRNDPAVIE QCVLSGIPAN EMHKVYCDPW TIGYDERWGT DATA SEQUENCE GKRLQQALVY YRSDEDDSQY SHPLDFCPIV DTEEKKVIFI DIPNRRRKVS DATA SEQUENCE KHKHANFYPK HMIEKVGAMR PEAPPINVTQ PEGVSFKMTG NVMEWSNFKF DATA SEQUENCE HIGFNYREGI VLSDVSYNDH GNVRPIFHRI SLSEMIVPYG SPEFPHQRKH DATA SEQUENCE ALDIGEYGAG YMTNPLSLGC DcKGVIHYLD AHFSDRAGDP ITVKNAVcIH DATA SEQUENCE EEDDGLLFKH SDFRDNFATS LVTRATKLVV SQIFTAANYE YCLYWVFMQD DATA SEQUENCE GAIRLDIRLT GILNTYILGD DEEAGPWGTR VYPNVNAHNH QHLFSLRIDP DATA SEQUENCE RIDGDGNSAA ACDAKSSPYP LGSPENMYGN AFYSEKTTFK TVKDSLTNYE DATA SEQUENCE SATGRSWDIF NPNKVNPYSG KPPSYKLVST QCPPLLAKEG SLVAKRAPWA DATA SEQUENCE SHSVNVVPYK DNRLYPSGDH VPQWSGDGVR GMREWIGDGS ENIDNTDILF DATA SEQUENCE FHTFGITHFP APEDFPLMPA EPITLMLRPR HFFTENPGLD IQPSYAMTTS DATA SEQUENCE EAKRAV 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 17 A HA 0.000 nan 4.320 nan 0.000 0.244 17 A C 0.000 177.584 177.584 -0.000 0.000 1.274 17 A CA 0.000 52.038 52.037 0.002 0.000 0.836 17 A CB 0.000 19.003 19.000 0.004 0.000 0.831 18 P HA 0.576 nan 4.420 nan 0.000 0.274 18 P C 0.258 177.559 177.300 0.002 0.000 1.237 18 P CA 0.113 63.211 63.100 -0.003 0.000 0.793 18 P CB 0.979 32.676 31.700 -0.005 0.000 0.977 19 A N 2.590 125.411 122.820 0.003 0.000 2.445 19 A HA 0.205 4.527 4.320 0.004 0.000 0.242 19 A C 0.524 178.115 177.584 0.011 0.000 1.075 19 A CA -0.269 51.773 52.037 0.008 0.000 0.777 19 A CB -0.154 18.852 19.000 0.010 0.000 1.013 19 A HN 0.536 nan 8.150 nan 0.000 0.493 20 R N 1.519 122.026 120.500 0.013 0.000 2.641 20 R HA 0.376 4.719 4.340 0.004 0.000 0.269 20 R C -1.904 174.411 176.300 0.025 0.000 1.074 20 R CA -0.758 55.349 56.100 0.011 0.000 1.133 20 R CB -0.079 30.223 30.300 0.003 0.000 1.029 20 R HN 0.671 nan 8.270 nan 0.000 0.488 21 P HA 0.102 nan 4.420 nan 0.000 0.277 21 P C -0.436 176.911 177.300 0.078 0.000 1.271 21 P CA -0.309 62.828 63.100 0.060 0.000 0.795 21 P CB 0.941 32.685 31.700 0.074 0.000 1.101 22 A N -0.165 122.727 122.820 0.118 0.000 1.929 22 A HA -0.091 4.231 4.320 0.004 0.000 0.216 22 A C 1.086 178.795 177.584 0.209 0.000 1.176 22 A CA 1.368 53.495 52.037 0.149 0.000 0.628 22 A CB -1.107 17.987 19.000 0.158 0.000 0.816 22 A HN 0.800 nan 8.150 nan 0.000 0.444 23 H N -2.257 116.873 119.070 0.101 0.000 2.679 23 H HA 0.426 4.984 4.556 0.004 0.000 0.360 23 H C -2.384 172.913 175.328 -0.051 0.000 1.105 23 H CA -1.961 54.142 56.048 0.092 0.000 1.196 23 H CB 2.060 31.955 29.762 0.222 0.000 1.636 23 H HN -0.104 nan 8.280 nan 0.000 0.531 24 P HA -0.167 nan 4.420 nan 0.000 0.220 24 P C 0.718 178.020 177.300 0.003 0.000 1.144 24 P CA 1.257 64.227 63.100 -0.217 0.000 0.800 24 P CB 0.260 31.619 31.700 -0.567 0.000 0.772 25 L N -1.994 119.344 121.223 0.192 0.000 2.607 25 L HA 0.124 4.466 4.340 0.004 0.000 0.228 25 L C 0.310 177.096 176.870 -0.141 0.000 1.123 25 L CA -0.182 54.541 54.840 -0.196 0.000 0.890 25 L CB -0.435 41.212 42.059 -0.687 0.000 1.103 25 L HN -0.091 nan 8.230 nan 0.000 0.468 26 D N 1.359 121.822 120.400 0.105 0.000 2.423 26 D HA 0.136 4.778 4.640 0.004 0.000 0.238 26 D C -2.043 174.353 176.300 0.160 0.000 1.142 26 D CA -1.034 53.103 54.000 0.227 0.000 0.884 26 D CB 0.579 41.505 40.800 0.209 0.000 1.199 26 D HN -0.068 nan 8.370 nan 0.000 0.438 27 P HA 0.094 nan 4.420 nan 0.000 0.272 27 P C -0.080 177.313 177.300 0.155 0.000 1.240 27 P CA -0.396 62.812 63.100 0.181 0.000 0.791 27 P CB 0.578 32.409 31.700 0.218 0.000 0.978 28 L N 0.799 122.113 121.223 0.152 0.000 2.499 28 L HA 0.062 4.404 4.340 0.004 0.000 0.273 28 L C 1.211 178.142 176.870 0.102 0.000 1.195 28 L CA 0.094 55.002 54.840 0.114 0.000 0.882 28 L CB -0.130 41.997 42.059 0.114 0.000 1.133 28 L HN 0.509 nan 8.230 nan 0.000 0.483 29 S N 0.265 115.991 115.700 0.043 0.000 2.624 29 S HA 0.110 4.582 4.470 0.004 0.000 0.263 29 S C 1.312 175.848 174.600 -0.107 0.000 1.287 29 S CA -0.173 58.003 58.200 -0.039 0.000 0.990 29 S CB 1.277 64.452 63.200 -0.042 0.000 0.950 29 S HN 0.772 nan 8.310 nan 0.000 0.561 30 T N -1.454 112.938 114.554 -0.269 0.000 2.788 30 T HA -0.082 4.271 4.350 0.004 0.000 0.268 30 T C 1.952 176.585 174.700 -0.112 0.000 1.044 30 T CA 1.103 63.074 62.100 -0.215 0.000 1.139 30 T CB -1.073 67.620 68.868 -0.291 0.000 0.867 30 T HN 0.880 nan 8.240 nan 0.000 0.454 31 A N 1.972 124.734 122.820 -0.097 0.000 1.902 31 A HA -0.074 4.248 4.320 0.004 0.000 0.217 31 A C 2.319 179.878 177.584 -0.043 0.000 1.181 31 A CA 1.559 53.559 52.037 -0.060 0.000 0.623 31 A CB -0.667 18.306 19.000 -0.046 0.000 0.818 31 A HN 0.667 nan 8.150 nan 0.000 0.443 32 E N -0.321 119.861 120.200 -0.031 0.000 2.106 32 E HA -0.134 4.218 4.350 0.004 0.000 0.192 32 E C 1.848 178.438 176.600 -0.016 0.000 0.984 32 E CA 1.109 57.502 56.400 -0.011 0.000 0.806 32 E CB -0.287 29.421 29.700 0.012 0.000 0.750 32 E HN 0.712 nan 8.360 nan 0.000 0.458 33 I N 1.037 121.594 120.570 -0.022 0.000 2.179 33 I HA -0.255 3.918 4.170 0.004 0.000 0.242 33 I C 2.526 178.587 176.117 -0.092 0.000 1.088 33 I CA 0.858 62.137 61.300 -0.035 0.000 1.357 33 I CB -0.195 37.798 38.000 -0.010 0.000 1.051 33 I HN -0.040 nan 8.210 nan 0.000 0.409 34 K N 1.253 121.601 120.400 -0.087 0.000 2.063 34 K HA -0.138 4.185 4.320 0.004 0.000 0.208 34 K C 2.157 178.701 176.600 -0.093 0.000 1.048 34 K CA 1.790 58.016 56.287 -0.102 0.000 0.928 34 K CB -0.521 31.936 32.500 -0.071 0.000 0.713 34 K HN 0.331 nan 8.250 nan 0.000 0.442 35 A N 0.787 123.571 122.820 -0.061 0.000 1.877 35 A HA -0.127 4.195 4.320 0.004 0.000 0.216 35 A C 2.381 179.936 177.584 -0.048 0.000 1.186 35 A CA 2.353 54.365 52.037 -0.042 0.000 0.620 35 A CB -0.732 18.255 19.000 -0.023 0.000 0.822 35 A HN 0.349 nan 8.150 nan 0.000 0.443 36 A N -0.273 122.515 122.820 -0.054 0.000 1.877 36 A HA -0.120 4.203 4.320 0.004 0.000 0.216 36 A C 2.490 180.006 177.584 -0.114 0.000 1.186 36 A CA 2.747 54.754 52.037 -0.050 0.000 0.620 36 A CB -1.508 17.484 19.000 -0.014 0.000 0.822 36 A HN 0.801 nan 8.150 nan 0.000 0.443 37 T N -1.795 112.612 114.554 -0.245 0.000 2.821 37 T HA -0.158 4.194 4.350 0.004 0.000 0.267 37 T C 1.674 176.289 174.700 -0.142 0.000 1.046 37 T CA 1.455 63.278 62.100 -0.463 0.000 1.139 37 T CB -0.595 67.720 68.868 -0.923 0.000 0.871 37 T HN 0.382 nan 8.240 nan 0.000 0.454 38 N N 1.401 120.045 118.700 -0.094 0.000 2.084 38 N HA -0.067 4.675 4.740 0.004 0.000 0.190 38 N C 2.120 177.644 175.510 0.024 0.000 1.030 38 N CA 1.849 54.890 53.050 -0.015 0.000 0.849 38 N CB -1.100 37.375 38.487 -0.020 0.000 1.012 38 N HN 0.502 nan 8.380 nan 0.000 0.423 39 T N 1.093 115.648 114.554 0.002 0.000 2.684 39 T HA -0.074 4.278 4.350 0.004 0.000 0.267 39 T C 2.157 176.879 174.700 0.036 0.000 1.036 39 T CA 1.073 63.181 62.100 0.013 0.000 1.148 39 T CB -0.378 68.484 68.868 -0.010 0.000 0.863 39 T HN -0.013 nan 8.240 nan 0.000 0.436 40 V N 1.468 121.398 119.914 0.027 0.000 2.307 40 V HA -0.155 3.967 4.120 0.004 0.000 0.245 40 V C 2.478 178.740 176.094 0.280 0.000 1.045 40 V CA 1.498 63.841 62.300 0.072 0.000 1.024 40 V CB -0.485 31.313 31.823 -0.040 0.000 0.651 40 V HN 0.474 nan 8.190 nan 0.000 0.449 41 K N -0.021 120.556 120.400 0.295 0.000 2.074 41 K HA -0.185 4.138 4.320 0.004 0.000 0.209 41 K C 2.454 179.160 176.600 0.176 0.000 1.048 41 K CA 1.820 58.263 56.287 0.260 0.000 0.926 41 K CB -0.358 32.270 32.500 0.214 0.000 0.713 41 K HN 0.357 nan 8.250 nan 0.000 0.444 42 S N 0.340 116.113 115.700 0.121 0.000 2.355 42 S HA -0.158 4.315 4.470 0.004 0.000 0.222 42 S C 1.733 176.350 174.600 0.028 0.000 1.031 42 S CA 0.968 59.207 58.200 0.065 0.000 0.993 42 S CB -0.354 62.875 63.200 0.048 0.000 0.859 42 S HN 0.330 nan 8.310 nan 0.000 0.453 43 Y N 1.059 121.286 120.300 -0.121 0.000 2.165 43 Y HA -0.111 4.441 4.550 0.004 0.000 0.286 43 Y C 0.716 176.365 175.900 -0.420 0.000 1.155 43 Y CA 1.368 59.285 58.100 -0.304 0.000 1.164 43 Y CB -0.187 37.999 38.460 -0.455 0.000 0.978 43 Y HN 0.205 nan 8.280 nan 0.000 0.513 44 F N 0.905 120.896 119.950 0.068 0.000 2.974 44 F HA 0.434 4.964 4.527 0.005 0.000 0.292 44 F C 0.875 176.656 175.800 -0.031 0.000 1.209 44 F CA -0.436 57.560 58.000 -0.007 0.000 1.366 44 F CB -0.911 38.112 39.000 0.038 0.000 1.033 44 F HN 0.010 nan 8.300 nan 0.000 0.516 45 A N 0.296 123.134 122.820 0.030 0.000 2.567 45 A HA 0.369 4.691 4.320 0.004 0.000 0.240 45 A C 1.497 179.100 177.584 0.032 0.000 1.053 45 A CA 0.794 52.847 52.037 0.027 0.000 0.755 45 A CB -0.612 18.375 19.000 -0.021 0.000 0.978 45 A HN 1.179 nan 8.150 nan 0.000 0.507 46 G N 1.705 110.528 108.800 0.039 0.000 2.160 46 G HA2 -0.176 3.786 3.960 0.004 0.000 0.244 46 G HA3 -0.176 3.786 3.960 0.004 0.000 0.244 46 G C -0.086 174.835 174.900 0.035 0.000 1.022 46 G CA 0.533 45.650 45.100 0.028 0.000 0.741 46 G HN 0.809 nan 8.290 nan 0.000 0.508 47 K N -0.320 120.111 120.400 0.052 0.000 2.427 47 K HA 0.412 4.734 4.320 0.004 0.000 0.252 47 K C -0.330 176.272 176.600 0.002 0.000 0.931 47 K CA -1.050 55.257 56.287 0.033 0.000 0.793 47 K CB 2.259 34.799 32.500 0.066 0.000 1.211 47 K HN 0.208 nan 8.250 nan 0.000 0.426 48 K N 4.399 124.785 120.400 -0.025 0.000 2.219 48 K HA 0.241 4.563 4.320 0.004 0.000 0.280 48 K C 0.002 176.548 176.600 -0.091 0.000 1.104 48 K CA -0.281 55.983 56.287 -0.038 0.000 0.925 48 K CB -0.208 32.275 32.500 -0.029 0.000 1.261 48 K HN 0.623 nan 8.250 nan 0.000 0.445 49 I N 0.201 120.696 120.570 -0.126 0.000 2.797 49 I HA 0.611 4.784 4.170 0.004 0.000 0.307 49 I C -0.801 175.164 176.117 -0.252 0.000 1.033 49 I CA -0.856 60.294 61.300 -0.250 0.000 1.071 49 I CB 2.311 40.070 38.000 -0.402 0.000 1.255 49 I HN 0.491 nan 8.210 nan 0.000 0.445 50 S N 2.298 117.801 115.700 -0.328 0.000 2.549 50 S HA 0.663 5.135 4.470 0.004 0.000 0.280 50 S C -1.060 173.312 174.600 -0.379 0.000 1.109 50 S CA -0.667 57.395 58.200 -0.230 0.000 0.905 50 S CB 1.329 64.477 63.200 -0.087 0.000 1.081 50 S HN 0.491 nan 8.310 nan 0.000 0.477 51 F N 2.867 122.804 119.950 -0.021 0.000 2.411 51 F HA 0.459 4.988 4.527 0.005 0.000 0.350 51 F C 1.770 177.567 175.800 -0.004 0.000 1.114 51 F CA -0.608 57.387 58.000 -0.008 0.000 1.135 51 F CB 1.099 40.102 39.000 0.004 0.000 1.120 51 F HN 0.832 nan 8.300 nan 0.000 0.495 52 N N 1.125 119.893 118.700 0.115 0.000 2.482 52 N HA 0.016 4.758 4.740 0.004 0.000 0.179 52 N C -0.387 175.196 175.510 0.121 0.000 1.039 52 N CA 0.698 53.799 53.050 0.085 0.000 0.884 52 N CB 0.630 39.142 38.487 0.041 0.000 1.113 52 N HN 0.552 nan 8.380 nan 0.000 0.440 53 T N 0.615 115.220 114.554 0.084 0.000 3.105 53 T HA 0.442 4.795 4.350 0.004 0.000 0.321 53 T C -1.382 173.307 174.700 -0.019 0.000 1.135 53 T CA -0.488 61.572 62.100 -0.067 0.000 1.053 53 T CB 2.529 71.233 68.868 -0.273 0.000 1.133 53 T HN -0.141 nan 8.240 nan 0.000 0.463 54 V N 2.753 122.661 119.914 -0.009 0.000 2.462 54 V HA 0.755 4.877 4.120 0.004 0.000 0.288 54 V C -0.148 175.986 176.094 0.067 0.000 1.020 54 V CA -0.465 61.875 62.300 0.067 0.000 0.857 54 V CB 1.614 33.479 31.823 0.070 0.000 1.013 54 V HN 0.984 nan 8.190 nan 0.000 0.431 55 T N 3.821 118.439 114.554 0.108 0.000 2.841 55 T HA 0.629 4.982 4.350 0.004 0.000 0.296 55 T C -1.196 173.633 174.700 0.214 0.000 1.166 55 T CA -0.529 61.675 62.100 0.173 0.000 1.007 55 T CB 1.634 70.609 68.868 0.178 0.000 1.253 55 T HN 0.569 nan 8.240 nan 0.000 0.511 56 L N 2.954 124.295 121.223 0.196 0.000 2.490 56 L HA 0.574 4.917 4.340 0.004 0.000 0.274 56 L C 0.159 177.117 176.870 0.146 0.000 1.201 56 L CA 0.131 55.063 54.840 0.154 0.000 0.869 56 L CB 0.393 42.527 42.059 0.124 0.000 1.123 56 L HN 0.593 nan 8.230 nan 0.000 0.484 57 R N 4.441 125.013 120.500 0.121 0.000 2.233 57 R HA 0.319 4.661 4.340 0.004 0.000 0.334 57 R C -0.627 175.696 176.300 0.039 0.000 1.037 57 R CA -0.204 55.944 56.100 0.079 0.000 0.920 57 R CB -0.097 30.263 30.300 0.100 0.000 1.137 57 R HN 0.760 nan 8.270 nan 0.000 0.492 58 E N 4.934 125.141 120.200 0.013 0.000 2.437 58 E HA 0.064 4.417 4.350 0.004 0.000 0.263 58 E C -1.929 174.678 176.600 0.011 0.000 1.030 58 E CA -1.306 55.091 56.400 -0.006 0.000 0.934 58 E CB 0.180 29.857 29.700 -0.040 0.000 0.943 58 E HN 0.496 nan 8.360 nan 0.000 0.444 59 P HA -0.029 nan 4.420 nan 0.000 0.268 59 P C -0.923 176.428 177.300 0.086 0.000 1.208 59 P CA 0.013 63.144 63.100 0.052 0.000 0.777 59 P CB 0.492 32.238 31.700 0.076 0.000 0.875 60 A N 2.402 125.272 122.820 0.082 0.000 2.483 60 A HA 0.005 4.328 4.320 0.004 0.000 0.238 60 A C 1.815 179.469 177.584 0.117 0.000 1.070 60 A CA -0.014 52.084 52.037 0.101 0.000 0.770 60 A CB -0.262 18.785 19.000 0.078 0.000 1.008 60 A HN 0.673 nan 8.150 nan 0.000 0.497 61 R N 1.042 121.598 120.500 0.093 0.000 2.112 61 R HA -0.194 4.148 4.340 0.004 0.000 0.242 61 R C 1.872 178.122 176.300 -0.083 0.000 1.137 61 R CA 2.337 58.370 56.100 -0.112 0.000 0.944 61 R CB -0.248 29.755 30.300 -0.496 0.000 0.857 61 R HN 0.848 nan 8.270 nan 0.000 0.435 62 K N -0.412 119.961 120.400 -0.045 0.000 2.032 62 K HA -0.171 4.151 4.320 0.004 0.000 0.209 62 K C 2.110 178.728 176.600 0.030 0.000 1.048 62 K CA 1.558 57.832 56.287 -0.021 0.000 0.927 62 K CB -0.236 32.264 32.500 0.001 0.000 0.712 62 K HN 0.280 nan 8.250 nan 0.000 0.441 63 A N 0.750 123.609 122.820 0.064 0.000 1.883 63 A HA -0.235 4.088 4.320 0.004 0.000 0.217 63 A C 2.086 179.746 177.584 0.126 0.000 1.186 63 A CA 1.614 53.700 52.037 0.081 0.000 0.624 63 A CB -0.938 18.105 19.000 0.071 0.000 0.822 63 A HN 0.449 nan 8.150 nan 0.000 0.444 64 Y N 0.526 120.871 120.300 0.076 0.000 2.097 64 Y HA -0.226 4.327 4.550 0.004 0.000 0.282 64 Y C 2.098 178.135 175.900 0.228 0.000 1.152 64 Y CA 1.961 60.158 58.100 0.162 0.000 1.136 64 Y CB -0.325 38.240 38.460 0.174 0.000 0.975 64 Y HN 0.280 nan 8.280 nan 0.000 0.498 65 I N 0.064 120.701 120.570 0.111 0.000 2.163 65 I HA -0.383 3.789 4.170 0.004 0.000 0.243 65 I C 2.445 178.528 176.117 -0.056 0.000 1.085 65 I CA 1.774 63.079 61.300 0.008 0.000 1.347 65 I CB -0.597 37.397 38.000 -0.009 0.000 1.044 65 I HN 0.360 nan 8.210 nan 0.000 0.408 66 Q N -0.373 119.418 119.800 -0.015 0.000 2.096 66 Q HA -0.283 4.059 4.340 0.004 0.000 0.204 66 Q C 2.035 178.017 176.000 -0.030 0.000 0.982 66 Q CA 2.293 58.084 55.803 -0.020 0.000 0.850 66 Q CB -0.354 28.391 28.738 0.012 0.000 0.901 66 Q HN 0.636 nan 8.270 nan 0.000 0.422 67 W N 1.751 122.938 121.300 -0.188 0.000 2.355 67 W HA -0.180 4.483 4.660 0.004 0.000 0.309 67 W C 2.054 178.417 176.519 -0.260 0.000 1.206 67 W CA 1.314 58.532 57.345 -0.212 0.000 1.284 67 W CB -0.075 29.235 29.460 -0.250 0.000 1.145 67 W HN -0.129 nan 8.180 nan 0.000 0.502 68 K N 0.416 120.526 120.400 -0.483 0.000 2.057 68 K HA -0.176 4.146 4.320 0.004 0.000 0.206 68 K C 0.988 177.300 176.600 -0.480 0.000 1.050 68 K CA 2.000 57.847 56.287 -0.733 0.000 0.935 68 K CB -0.194 32.024 32.500 -0.469 0.000 0.715 68 K HN 0.517 nan 8.250 nan 0.000 0.439 69 E N -1.314 118.714 120.200 -0.286 0.000 2.714 69 E HA 0.071 4.423 4.350 0.004 0.000 0.219 69 E C 0.117 176.626 176.600 -0.151 0.000 0.979 69 E CA -0.135 56.147 56.400 -0.196 0.000 1.092 69 E CB 0.707 30.337 29.700 -0.116 0.000 1.049 69 E HN 0.181 nan 8.360 nan 0.000 0.487 70 Q N 0.344 120.050 119.800 -0.156 0.000 2.055 70 Q HA 0.226 4.568 4.340 0.004 0.000 0.226 70 Q C 0.539 176.477 176.000 -0.105 0.000 0.805 70 Q CA 0.059 55.799 55.803 -0.105 0.000 1.072 70 Q CB 1.612 30.308 28.738 -0.069 0.000 1.219 70 Q HN 0.370 nan 8.270 nan 0.000 0.451 71 G N 0.957 109.662 108.800 -0.159 0.000 2.233 71 G HA2 -0.299 3.663 3.960 0.004 0.000 0.270 71 G HA3 -0.299 3.663 3.960 0.004 0.000 0.270 71 G C 0.473 175.331 174.900 -0.070 0.000 1.011 71 G CA 0.084 45.103 45.100 -0.136 0.000 0.762 71 G HN 0.497 nan 8.290 nan 0.000 0.511 72 G N 0.112 108.882 108.800 -0.050 0.000 2.667 72 G HA2 0.577 4.539 3.960 0.004 0.000 0.250 72 G HA3 0.577 4.539 3.960 0.004 0.000 0.250 72 G C -1.064 173.910 174.900 0.124 0.000 1.212 72 G CA -0.223 44.897 45.100 0.034 0.000 0.874 72 G HN 0.362 nan 8.290 nan 0.000 0.561 73 P HA 0.106 nan 4.420 nan 0.000 0.269 73 P C -0.367 177.037 177.300 0.173 0.000 1.215 73 P CA -0.566 62.609 63.100 0.126 0.000 0.780 73 P CB 1.063 32.801 31.700 0.064 0.000 0.898 74 L N 4.670 125.963 121.223 0.116 0.000 2.410 74 L HA 0.289 4.632 4.340 0.004 0.000 0.273 74 L C -2.151 174.638 176.870 -0.135 0.000 1.144 74 L CA -1.593 53.189 54.840 -0.097 0.000 0.863 74 L CB -0.542 41.470 42.059 -0.078 0.000 1.140 74 L HN 0.283 nan 8.230 nan 0.000 0.463 75 P HA 0.224 nan 4.420 nan 0.000 0.271 75 P C -2.549 174.689 177.300 -0.103 0.000 1.216 75 P CA -0.910 62.119 63.100 -0.119 0.000 0.776 75 P CB -0.130 31.502 31.700 -0.113 0.000 0.881 76 P HA 0.116 nan 4.420 nan 0.000 0.271 76 P C -0.378 176.907 177.300 -0.025 0.000 1.216 76 P CA -0.170 62.912 63.100 -0.030 0.000 0.776 76 P CB 0.716 32.412 31.700 -0.006 0.000 0.881 77 R N 2.784 123.272 120.500 -0.020 0.000 2.351 77 R HA 0.346 4.688 4.340 0.004 0.000 0.318 77 R C 0.058 176.371 176.300 0.023 0.000 1.055 77 R CA -0.151 55.947 56.100 -0.003 0.000 0.968 77 R CB -0.429 29.871 30.300 0.000 0.000 0.974 77 R HN 0.559 nan 8.270 nan 0.000 0.439 78 L N 1.594 122.840 121.223 0.039 0.000 2.354 78 L HA 0.685 5.027 4.340 0.004 0.000 0.269 78 L C -0.014 176.916 176.870 0.100 0.000 1.005 78 L CA -1.136 53.745 54.840 0.067 0.000 0.819 78 L CB 2.098 44.197 42.059 0.066 0.000 1.311 78 L HN 0.500 nan 8.230 nan 0.000 0.423 79 A N 1.750 124.649 122.820 0.133 0.000 2.331 79 A HA 0.576 4.898 4.320 0.004 0.000 0.320 79 A C -1.622 176.115 177.584 0.255 0.000 1.138 79 A CA -0.381 51.761 52.037 0.174 0.000 0.790 79 A CB 1.035 20.121 19.000 0.144 0.000 1.206 79 A HN 0.594 nan 8.150 nan 0.000 0.470 80 Y N 3.395 123.765 120.300 0.117 0.000 2.320 80 Y HA 0.586 5.138 4.550 0.004 0.000 0.334 80 Y C -0.832 175.153 175.900 0.141 0.000 1.055 80 Y CA -0.923 57.224 58.100 0.078 0.000 1.143 80 Y CB 0.773 39.260 38.460 0.044 0.000 1.193 80 Y HN 0.716 nan 8.280 nan 0.000 0.477 81 Y N 3.520 123.507 120.300 -0.521 0.000 2.536 81 Y HA 0.834 5.386 4.550 0.003 0.000 0.347 81 Y C -2.053 173.488 175.900 -0.599 0.000 1.000 81 Y CA -1.789 56.068 58.100 -0.404 0.000 1.051 81 Y CB 1.196 39.639 38.460 -0.029 0.000 1.259 81 Y HN 0.355 nan 8.280 nan 0.000 0.468 82 V N 5.100 124.906 119.914 -0.180 0.000 2.577 82 V HA 0.582 4.704 4.120 0.004 0.000 0.303 82 V C -0.274 175.813 176.094 -0.011 0.000 1.042 82 V CA -0.724 61.483 62.300 -0.155 0.000 0.872 82 V CB 1.441 33.212 31.823 -0.087 0.000 0.998 82 V HN 0.901 nan 8.190 nan 0.000 0.423 83 I N 2.394 122.919 120.570 -0.074 0.000 3.145 83 I HA 0.721 4.893 4.170 0.004 0.000 0.313 83 I C -1.712 174.270 176.117 -0.226 0.000 1.122 83 I CA -1.023 60.139 61.300 -0.231 0.000 0.987 83 I CB 2.445 40.177 38.000 -0.447 0.000 1.236 83 I HN 0.255 nan 8.210 nan 0.000 0.453 84 L N 1.866 122.940 121.223 -0.249 0.000 2.333 84 L HA 0.589 4.932 4.340 0.004 0.000 0.269 84 L C -0.527 176.204 176.870 -0.232 0.000 1.010 84 L CA -0.293 54.431 54.840 -0.194 0.000 0.818 84 L CB 1.759 43.739 42.059 -0.131 0.000 1.306 84 L HN 0.813 nan 8.230 nan 0.000 0.430 85 E N 0.908 120.996 120.200 -0.187 0.000 2.224 85 E HA 0.566 4.919 4.350 0.004 0.000 0.265 85 E C -0.762 175.773 176.600 -0.108 0.000 0.878 85 E CA -0.728 55.567 56.400 -0.175 0.000 0.759 85 E CB 2.187 31.772 29.700 -0.191 0.000 1.164 85 E HN 0.735 nan 8.360 nan 0.000 0.414 86 A N 2.741 125.509 122.820 -0.087 0.000 2.567 86 A HA 0.383 4.705 4.320 0.004 0.000 0.240 86 A C 1.259 178.817 177.584 -0.044 0.000 1.053 86 A CA 1.112 53.115 52.037 -0.056 0.000 0.755 86 A CB -0.485 18.489 19.000 -0.043 0.000 0.978 86 A HN 1.128 nan 8.150 nan 0.000 0.507 87 G N 1.745 110.524 108.800 -0.035 0.000 2.225 87 G HA2 -0.213 3.749 3.960 0.004 0.000 0.254 87 G HA3 -0.213 3.749 3.960 0.004 0.000 0.254 87 G C 0.280 175.165 174.900 -0.025 0.000 0.988 87 G CA 0.672 45.758 45.100 -0.024 0.000 0.625 87 G HN 0.767 nan 8.290 nan 0.000 0.527 88 K N 1.516 121.893 120.400 -0.039 0.000 2.138 88 K HA 0.542 4.864 4.320 0.004 0.000 0.263 88 K C -2.197 174.381 176.600 -0.038 0.000 0.965 88 K CA -1.840 54.425 56.287 -0.037 0.000 0.868 88 K CB 2.127 34.595 32.500 -0.053 0.000 1.083 88 K HN 0.253 nan 8.250 nan 0.000 0.443 89 P HA 0.194 nan 4.420 nan 0.000 0.277 89 P C 0.525 177.804 177.300 -0.035 0.000 1.240 89 P CA 0.129 63.217 63.100 -0.020 0.000 0.798 89 P CB 0.844 32.542 31.700 -0.002 0.000 0.979 90 G N 0.688 109.467 108.800 -0.036 0.000 2.550 90 G HA2 -0.117 3.845 3.960 0.004 0.000 0.277 90 G HA3 -0.117 3.845 3.960 0.004 0.000 0.277 90 G C -0.167 174.675 174.900 -0.097 0.000 1.190 90 G CA 0.595 45.659 45.100 -0.060 0.000 0.971 90 G HN 0.906 nan 8.290 nan 0.000 0.559 91 V N -3.997 115.836 119.914 -0.135 0.000 3.103 91 V HA 0.973 5.095 4.120 0.004 0.000 0.311 91 V C -0.492 175.517 176.094 -0.142 0.000 1.322 91 V CA -0.498 61.704 62.300 -0.163 0.000 1.063 91 V CB 1.920 33.603 31.823 -0.235 0.000 1.090 91 V HN 1.078 nan 8.190 nan 0.000 0.462 92 K N 0.777 121.091 120.400 -0.142 0.000 2.468 92 K HA 0.637 4.960 4.320 0.004 0.000 0.252 92 K C -1.289 175.247 176.600 -0.107 0.000 0.932 92 K CA -0.515 55.722 56.287 -0.084 0.000 0.794 92 K CB 2.465 34.915 32.500 -0.084 0.000 1.241 92 K HN 1.016 nan 8.250 nan 0.000 0.428 93 E N 0.866 120.977 120.200 -0.148 0.000 2.392 93 E HA 0.830 5.182 4.350 0.004 0.000 0.269 93 E C -0.385 175.870 176.600 -0.575 0.000 0.924 93 E CA -1.264 54.884 56.400 -0.420 0.000 0.784 93 E CB 2.338 31.961 29.700 -0.129 0.000 1.292 93 E HN 0.620 nan 8.360 nan 0.000 0.447 94 G N 0.203 108.340 108.800 -1.106 0.000 2.341 94 G HA2 0.418 4.381 3.960 0.004 0.000 0.299 94 G HA3 0.418 4.381 3.960 0.004 0.000 0.299 94 G C -1.816 172.826 174.900 -0.429 0.000 1.274 94 G CA -1.009 43.706 45.100 -0.640 0.000 0.853 94 G HN 0.401 nan 8.290 nan 0.000 0.493 95 L N -0.064 121.172 121.223 0.022 0.000 2.381 95 L HA 0.711 5.053 4.340 0.004 0.000 0.268 95 L C -0.630 176.373 176.870 0.221 0.000 0.997 95 L CA -1.169 53.771 54.840 0.166 0.000 0.818 95 L CB 2.342 44.469 42.059 0.115 0.000 1.310 95 L HN 0.337 nan 8.230 nan 0.000 0.416 96 V N 0.971 121.016 119.914 0.219 0.000 2.417 96 V HA 0.178 4.301 4.120 0.004 0.000 0.291 96 V C -0.606 175.537 176.094 0.083 0.000 1.024 96 V CA -0.516 61.860 62.300 0.127 0.000 0.861 96 V CB 1.941 33.828 31.823 0.106 0.000 0.985 96 V HN 0.727 nan 8.190 nan 0.000 0.436 97 D N 3.837 124.267 120.400 0.051 0.000 2.365 97 D HA 0.278 4.920 4.640 0.004 0.000 0.237 97 D C 1.046 177.364 176.300 0.029 0.000 1.190 97 D CA -0.199 53.823 54.000 0.038 0.000 0.867 97 D CB 0.932 41.749 40.800 0.027 0.000 1.050 97 D HN 0.451 nan 8.370 nan 0.000 0.491 98 L N 3.575 124.815 121.223 0.029 0.000 2.083 98 L HA -0.123 4.219 4.340 0.004 0.000 0.209 98 L C 2.440 179.318 176.870 0.013 0.000 1.083 98 L CA 1.122 55.974 54.840 0.021 0.000 0.752 98 L CB -0.426 41.646 42.059 0.021 0.000 0.899 98 L HN 0.568 nan 8.230 nan 0.000 0.433 99 A N 0.061 122.888 122.820 0.012 0.000 1.908 99 A HA -0.208 4.114 4.320 0.004 0.000 0.218 99 A C 2.352 179.942 177.584 0.010 0.000 1.181 99 A CA 2.145 54.187 52.037 0.008 0.000 0.627 99 A CB -0.530 18.474 19.000 0.006 0.000 0.818 99 A HN 0.515 nan 8.150 nan 0.000 0.445 100 S N -1.390 114.317 115.700 0.012 0.000 2.557 100 S HA 0.427 4.899 4.470 0.004 0.000 0.223 100 S C 0.464 175.072 174.600 0.014 0.000 0.969 100 S CA 0.110 58.317 58.200 0.013 0.000 0.927 100 S CB -0.532 62.676 63.200 0.014 0.000 0.806 100 S HN 0.600 nan 8.310 nan 0.000 0.489 101 L N 2.082 123.312 121.223 0.013 0.000 3.795 101 L HA -0.192 4.150 4.340 0.004 0.000 0.489 101 L C 0.008 176.886 176.870 0.014 0.000 1.259 101 L CA 0.513 55.360 54.840 0.011 0.000 0.765 101 L CB -2.357 39.708 42.059 0.009 0.000 1.519 101 L HN 0.719 nan 8.230 nan 0.000 0.842 102 S N -2.335 113.373 115.700 0.013 0.000 2.556 102 S HA 0.725 5.197 4.470 0.004 0.000 0.271 102 S C -0.404 174.187 174.600 -0.015 0.000 1.135 102 S CA -1.077 57.129 58.200 0.009 0.000 0.858 102 S CB 2.432 65.645 63.200 0.021 0.000 1.114 102 S HN -0.022 nan 8.310 nan 0.000 0.468 103 V N 2.962 122.828 119.914 -0.080 0.000 2.470 103 V HA 0.222 4.344 4.120 0.004 0.000 0.276 103 V C 1.161 177.188 176.094 -0.111 0.000 1.040 103 V CA -0.091 62.108 62.300 -0.168 0.000 1.008 103 V CB 0.132 31.584 31.823 -0.618 0.000 0.990 103 V HN 0.897 nan 8.190 nan 0.000 0.477 104 I N 1.136 121.688 120.570 -0.031 0.000 4.057 104 I HA 0.536 4.708 4.170 0.004 0.000 0.334 104 I C 0.543 176.657 176.117 -0.005 0.000 1.308 104 I CA 0.274 61.569 61.300 -0.009 0.000 1.125 104 I CB 0.451 38.461 38.000 0.017 0.000 1.034 104 I HN 0.640 nan 8.210 nan 0.000 0.401 105 E N 0.668 120.862 120.200 -0.010 0.000 2.354 105 E HA 0.460 4.812 4.350 0.004 0.000 0.283 105 E C -1.375 175.223 176.600 -0.004 0.000 0.938 105 E CA -0.463 55.939 56.400 0.003 0.000 0.777 105 E CB 2.323 32.036 29.700 0.022 0.000 1.222 105 E HN 0.101 nan 8.360 nan 0.000 0.423 106 T N 2.768 117.329 114.554 0.012 0.000 2.957 106 T HA 0.626 4.978 4.350 0.004 0.000 0.336 106 T C -2.000 172.747 174.700 0.079 0.000 1.462 106 T CA -0.661 61.468 62.100 0.048 0.000 1.073 106 T CB 0.956 69.880 68.868 0.094 0.000 1.319 106 T HN 0.662 nan 8.240 nan 0.000 0.485 107 R N 1.695 122.243 120.500 0.080 0.000 2.690 107 R HA 0.830 5.172 4.340 0.004 0.000 0.269 107 R C -1.723 174.615 176.300 0.063 0.000 1.037 107 R CA -1.210 54.937 56.100 0.077 0.000 0.877 107 R CB 1.098 31.429 30.300 0.052 0.000 1.255 107 R HN 0.708 nan 8.270 nan 0.000 0.467 108 A N 2.197 125.051 122.820 0.057 0.000 2.304 108 A HA 0.644 4.966 4.320 0.004 0.000 0.323 108 A C -1.125 176.460 177.584 0.001 0.000 1.195 108 A CA -0.753 51.298 52.037 0.023 0.000 0.826 108 A CB 0.959 19.981 19.000 0.036 0.000 1.184 108 A HN 0.398 nan 8.150 nan 0.000 0.496 109 L N 2.910 124.112 121.223 -0.035 0.000 2.356 109 L HA 0.347 4.690 4.340 0.004 0.000 0.264 109 L C 0.947 177.787 176.870 -0.049 0.000 1.029 109 L CA 0.268 55.084 54.840 -0.041 0.000 0.897 109 L CB 0.511 42.523 42.059 -0.077 0.000 1.256 109 L HN 0.902 nan 8.230 nan 0.000 0.444 110 E N 0.348 120.536 120.200 -0.019 0.000 2.427 110 E HA -0.052 4.300 4.350 0.004 0.000 0.196 110 E C 0.539 177.140 176.600 0.001 0.000 1.028 110 E CA 0.980 57.372 56.400 -0.013 0.000 0.864 110 E CB 0.335 30.036 29.700 0.001 0.000 0.813 110 E HN 0.645 nan 8.360 nan 0.000 0.514 111 T N -1.493 113.068 114.554 0.011 0.000 3.269 111 T HA 0.394 4.747 4.350 0.004 0.000 0.269 111 T C -0.116 174.614 174.700 0.050 0.000 0.993 111 T CA -0.424 61.699 62.100 0.039 0.000 0.909 111 T CB 0.342 69.242 68.868 0.053 0.000 1.115 111 T HN -0.139 nan 8.240 nan 0.000 0.543 112 V N 0.617 120.539 119.914 0.013 0.000 3.040 112 V HA 0.632 4.755 4.120 0.004 0.000 0.312 112 V C -1.741 174.348 176.094 -0.008 0.000 1.115 112 V CA -0.783 61.527 62.300 0.016 0.000 0.998 112 V CB 2.471 34.273 31.823 -0.036 0.000 1.042 112 V HN 0.355 nan 8.190 nan 0.000 0.433 113 Q N 4.332 124.157 119.800 0.041 0.000 2.356 113 Q HA 0.541 4.883 4.340 0.004 0.000 0.270 113 Q C -2.691 173.348 176.000 0.066 0.000 1.058 113 Q CA -1.880 53.943 55.803 0.032 0.000 0.802 113 Q CB 2.535 31.313 28.738 0.067 0.000 1.303 113 Q HN 0.527 nan 8.270 nan 0.000 0.444 114 P HA 0.280 nan 4.420 nan 0.000 0.279 114 P C 0.019 177.392 177.300 0.122 0.000 1.276 114 P CA -0.687 62.505 63.100 0.153 0.000 0.801 114 P CB 1.296 33.054 31.700 0.097 0.000 1.127 115 I N 0.360 121.022 120.570 0.153 0.000 2.815 115 I HA -0.054 4.118 4.170 0.004 0.000 0.291 115 I C 0.001 176.189 176.117 0.118 0.000 1.209 115 I CA -0.122 61.243 61.300 0.108 0.000 1.431 115 I CB 0.059 38.166 38.000 0.177 0.000 1.351 115 I HN 0.135 nan 8.210 nan 0.000 0.585 116 L N 7.711 128.988 121.223 0.091 0.000 2.283 116 L HA 0.225 4.567 4.340 0.004 0.000 0.287 116 L C 0.685 177.628 176.870 0.121 0.000 1.073 116 L CA -0.440 54.470 54.840 0.117 0.000 0.822 116 L CB 0.706 42.864 42.059 0.165 0.000 1.186 116 L HN 0.670 nan 8.230 nan 0.000 0.436 117 T N -0.810 113.744 114.554 -0.000 0.000 2.816 117 T HA 0.166 4.518 4.350 0.004 0.000 0.282 117 T C 1.502 176.128 174.700 -0.123 0.000 0.993 117 T CA -0.325 61.648 62.100 -0.212 0.000 0.994 117 T CB 1.469 70.144 68.868 -0.321 0.000 1.025 117 T HN 0.371 nan 8.240 nan 0.000 0.529 118 V N -0.623 119.180 119.914 -0.185 0.000 2.490 118 V HA -0.112 4.010 4.120 0.004 0.000 0.250 118 V C 2.248 178.322 176.094 -0.033 0.000 1.061 118 V CA 1.811 64.071 62.300 -0.066 0.000 1.064 118 V CB -1.289 30.509 31.823 -0.042 0.000 0.670 118 V HN 0.933 nan 8.190 nan 0.000 0.461 119 E N 0.471 120.640 120.200 -0.053 0.000 2.072 119 E HA -0.186 4.167 4.350 0.004 0.000 0.191 119 E C 2.039 178.637 176.600 -0.003 0.000 0.985 119 E CA 1.483 57.872 56.400 -0.018 0.000 0.801 119 E CB -0.275 29.415 29.700 -0.017 0.000 0.750 119 E HN 0.636 nan 8.360 nan 0.000 0.452 120 D N 0.548 120.945 120.400 -0.006 0.000 2.182 120 D HA -0.156 4.486 4.640 0.004 0.000 0.201 120 D C 1.954 178.277 176.300 0.038 0.000 0.986 120 D CA 1.014 55.024 54.000 0.017 0.000 0.847 120 D CB -0.026 40.789 40.800 0.025 0.000 0.942 120 D HN 0.194 nan 8.370 nan 0.000 0.467 121 L N -0.386 120.864 121.223 0.044 0.000 2.145 121 L HA 0.065 4.408 4.340 0.004 0.000 0.201 121 L C 1.275 178.176 176.870 0.052 0.000 1.075 121 L CA 0.174 55.052 54.840 0.064 0.000 0.773 121 L CB -0.025 42.076 42.059 0.070 0.000 0.936 121 L HN -0.108 nan 8.230 nan 0.000 0.451 122 C N 1.442 120.764 119.300 0.037 0.000 2.894 122 C HA 0.159 4.622 4.460 0.004 0.000 0.430 122 C C 1.434 176.442 174.990 0.030 0.000 1.048 122 C CA 0.768 59.808 59.018 0.037 0.000 1.158 122 C CB -2.010 25.749 27.740 0.032 0.000 1.634 122 C HN 0.720 nan 8.230 nan 0.000 0.565 123 S N -1.314 114.406 115.700 0.033 0.000 2.140 123 S HA -0.096 4.376 4.470 0.004 0.000 0.164 123 S C 0.927 175.544 174.600 0.027 0.000 0.730 123 S CA 0.489 58.703 58.200 0.024 0.000 1.748 123 S CB -0.785 62.427 63.200 0.019 0.000 1.134 123 S HN 0.426 nan 8.310 nan 0.000 0.485 124 T N 2.443 117.022 114.554 0.041 0.000 2.821 124 T HA 0.035 4.387 4.350 0.004 0.000 0.267 124 T C 1.510 176.237 174.700 0.045 0.000 1.046 124 T CA 1.746 63.875 62.100 0.048 0.000 1.139 124 T CB -0.357 68.555 68.868 0.072 0.000 0.871 124 T HN 0.624 nan 8.240 nan 0.000 0.454 125 E N 0.570 120.796 120.200 0.044 0.000 2.077 125 E HA -0.195 4.158 4.350 0.004 0.000 0.193 125 E C 2.165 178.764 176.600 -0.001 0.000 0.989 125 E CA 1.097 57.513 56.400 0.027 0.000 0.800 125 E CB 0.034 29.744 29.700 0.017 0.000 0.746 125 E HN 0.266 nan 8.360 nan 0.000 0.452 126 E N -0.128 120.070 120.200 -0.003 0.000 2.107 126 E HA -0.128 4.225 4.350 0.004 0.000 0.191 126 E C 1.984 178.585 176.600 0.003 0.000 0.982 126 E CA 0.919 57.313 56.400 -0.010 0.000 0.809 126 E CB -0.136 29.559 29.700 -0.008 0.000 0.756 126 E HN 0.258 nan 8.360 nan 0.000 0.459 127 V N 1.198 121.119 119.914 0.011 0.000 2.407 127 V HA -0.204 3.918 4.120 0.004 0.000 0.248 127 V C 2.089 178.196 176.094 0.021 0.000 1.055 127 V CA 1.938 64.246 62.300 0.014 0.000 1.049 127 V CB -0.556 31.275 31.823 0.014 0.000 0.662 127 V HN 0.486 nan 8.190 nan 0.000 0.455 128 I N -1.445 119.145 120.570 0.032 0.000 2.353 128 I HA -0.106 4.067 4.170 0.004 0.000 0.248 128 I C 2.673 178.818 176.117 0.047 0.000 1.119 128 I CA 1.474 62.805 61.300 0.051 0.000 1.417 128 I CB -0.738 37.310 38.000 0.080 0.000 1.078 128 I HN 0.149 nan 8.210 nan 0.000 0.421 129 R N 1.270 121.787 120.500 0.027 0.000 2.159 129 R HA -0.053 4.289 4.340 0.004 0.000 0.237 129 R C 1.266 177.577 176.300 0.020 0.000 1.131 129 R CA 1.467 57.579 56.100 0.019 0.000 0.982 129 R CB -0.326 29.967 30.300 -0.012 0.000 0.868 129 R HN 0.561 nan 8.270 nan 0.000 0.453 130 N N 0.429 119.138 118.700 0.014 0.000 2.230 130 N HA -0.042 4.701 4.740 0.004 0.000 0.202 130 N C -0.565 174.949 175.510 0.007 0.000 1.119 130 N CA 0.155 53.211 53.050 0.010 0.000 0.851 130 N CB 0.467 38.957 38.487 0.005 0.000 0.990 130 N HN 0.206 nan 8.380 nan 0.000 0.497 131 D N 1.513 121.918 120.400 0.010 0.000 2.295 131 D HA 0.127 4.770 4.640 0.004 0.000 0.248 131 D C -1.717 174.576 176.300 -0.011 0.000 1.154 131 D CA -1.859 52.142 54.000 0.001 0.000 0.857 131 D CB 2.370 43.175 40.800 0.007 0.000 1.117 131 D HN -0.074 nan 8.370 nan 0.000 0.468 132 P HA -0.176 nan 4.420 nan 0.000 0.215 132 P C 0.993 178.260 177.300 -0.055 0.000 1.157 132 P CA 1.596 64.677 63.100 -0.031 0.000 0.874 132 P CB 0.213 31.895 31.700 -0.029 0.000 0.790 133 A N -0.915 121.866 122.820 -0.065 0.000 1.898 133 A HA -0.146 4.176 4.320 0.004 0.000 0.216 133 A C 2.349 179.846 177.584 -0.145 0.000 1.181 133 A CA 1.713 53.686 52.037 -0.106 0.000 0.620 133 A CB -1.654 17.281 19.000 -0.108 0.000 0.819 133 A HN 0.033 nan 8.150 nan 0.000 0.442 134 V N 0.321 120.182 119.914 -0.088 0.000 2.343 134 V HA -0.261 3.861 4.120 0.004 0.000 0.247 134 V C 2.412 178.450 176.094 -0.092 0.000 1.051 134 V CA 1.975 64.232 62.300 -0.071 0.000 1.036 134 V CB -0.657 31.208 31.823 0.071 0.000 0.654 134 V HN 0.578 nan 8.190 nan 0.000 0.451 135 I N -0.139 120.403 120.570 -0.048 0.000 2.208 135 I HA -0.274 3.899 4.170 0.004 0.000 0.245 135 I C 2.592 178.662 176.117 -0.078 0.000 1.097 135 I CA 1.880 63.161 61.300 -0.032 0.000 1.363 135 I CB -0.400 37.590 38.000 -0.016 0.000 1.051 135 I HN 0.413 nan 8.210 nan 0.000 0.413 136 E N 0.555 120.686 120.200 -0.115 0.000 2.077 136 E HA -0.256 4.096 4.350 0.004 0.000 0.193 136 E C 2.227 178.708 176.600 -0.198 0.000 0.989 136 E CA 1.121 57.443 56.400 -0.131 0.000 0.800 136 E CB 0.152 29.774 29.700 -0.131 0.000 0.746 136 E HN 0.423 nan 8.360 nan 0.000 0.452 137 Q N 0.002 119.591 119.800 -0.352 0.000 2.079 137 Q HA -0.143 4.200 4.340 0.004 0.000 0.200 137 Q C 2.421 178.205 176.000 -0.360 0.000 0.974 137 Q CA 1.125 56.568 55.803 -0.600 0.000 0.840 137 Q CB -0.801 27.061 28.738 -1.461 0.000 0.898 137 Q HN 0.428 nan 8.270 nan 0.000 0.430 138 C N -0.082 119.122 119.300 -0.159 0.000 2.429 138 C HA -0.079 4.384 4.460 0.004 0.000 0.277 138 C C 2.892 177.886 174.990 0.008 0.000 1.262 138 C CA 0.505 59.569 59.018 0.077 0.000 1.733 138 C CB -1.002 26.813 27.740 0.125 0.000 2.010 138 C HN 0.262 nan 8.230 nan 0.000 0.483 139 V N 0.627 120.521 119.914 -0.034 0.000 2.287 139 V HA -0.201 3.921 4.120 0.004 0.000 0.248 139 V C 2.365 178.434 176.094 -0.041 0.000 1.053 139 V CA 1.697 63.977 62.300 -0.034 0.000 1.027 139 V CB -0.643 31.157 31.823 -0.039 0.000 0.646 139 V HN 0.402 nan 8.190 nan 0.000 0.447 140 L N 0.074 121.258 121.223 -0.064 0.000 2.131 140 L HA -0.084 4.258 4.340 0.004 0.000 0.210 140 L C 2.363 179.216 176.870 -0.029 0.000 1.092 140 L CA 1.725 56.531 54.840 -0.056 0.000 0.759 140 L CB -0.995 41.014 42.059 -0.084 0.000 0.903 140 L HN 0.282 nan 8.230 nan 0.000 0.435 141 S N -0.851 114.846 115.700 -0.005 0.000 2.603 141 S HA 0.265 4.737 4.470 0.004 0.000 0.220 141 S C 1.464 176.053 174.600 -0.019 0.000 0.967 141 S CA 0.674 58.891 58.200 0.029 0.000 0.920 141 S CB 0.055 63.340 63.200 0.140 0.000 0.773 141 S HN 0.620 nan 8.310 nan 0.000 0.529 142 G N 1.176 109.955 108.800 -0.036 0.000 2.163 142 G HA2 -0.182 3.781 3.960 0.004 0.000 0.213 142 G HA3 -0.182 3.781 3.960 0.004 0.000 0.213 142 G C -0.080 174.765 174.900 -0.093 0.000 0.991 142 G CA -0.513 44.549 45.100 -0.063 0.000 0.653 142 G HN 0.472 nan 8.290 nan 0.000 0.518 143 I N 2.924 123.450 120.570 -0.073 0.000 2.355 143 I HA 0.326 4.498 4.170 0.004 0.000 0.288 143 I C -1.898 174.213 176.117 -0.011 0.000 0.999 143 I CA -2.509 58.750 61.300 -0.069 0.000 1.163 143 I CB 2.029 39.997 38.000 -0.053 0.000 1.316 143 I HN -0.110 nan 8.210 nan 0.000 0.454 144 P HA 0.022 nan 4.420 nan 0.000 0.269 144 P C 0.556 177.874 177.300 0.030 0.000 1.209 144 P CA -0.103 63.005 63.100 0.014 0.000 0.776 144 P CB 1.230 32.943 31.700 0.022 0.000 0.876 145 A N 3.875 126.709 122.820 0.023 0.000 2.032 145 A HA -0.236 4.087 4.320 0.004 0.000 0.221 145 A C 1.657 179.272 177.584 0.052 0.000 1.165 145 A CA 2.048 54.102 52.037 0.029 0.000 0.645 145 A CB -1.564 17.444 19.000 0.014 0.000 0.807 145 A HN 0.813 nan 8.150 nan 0.000 0.453 146 N N -1.306 117.431 118.700 0.061 0.000 2.383 146 N HA 0.024 4.767 4.740 0.004 0.000 0.192 146 N C 0.422 176.031 175.510 0.165 0.000 1.141 146 N CA 0.432 53.537 53.050 0.092 0.000 0.851 146 N CB 0.069 38.598 38.487 0.071 0.000 0.976 146 N HN 0.577 nan 8.380 nan 0.000 0.465 147 E N -0.053 120.222 120.200 0.124 0.000 2.624 147 E HA 0.156 4.508 4.350 0.004 0.000 0.210 147 E C 0.778 177.340 176.600 -0.064 0.000 0.997 147 E CA -0.297 56.136 56.400 0.055 0.000 0.999 147 E CB 0.313 30.043 29.700 0.050 0.000 1.040 147 E HN 0.341 nan 8.360 nan 0.000 0.469 148 M N 1.193 120.829 119.600 0.060 0.000 2.346 148 M HA -0.142 4.340 4.480 0.004 0.000 0.263 148 M C 1.994 178.281 176.300 -0.021 0.000 1.064 148 M CA 1.438 56.761 55.300 0.039 0.000 1.083 148 M CB -1.090 31.547 32.600 0.061 0.000 1.399 148 M HN 0.355 nan 8.290 nan 0.000 0.435 149 H N -0.710 118.355 119.070 -0.009 0.000 2.561 149 H HA 0.021 4.579 4.556 0.003 0.000 0.278 149 H C 0.906 176.185 175.328 -0.081 0.000 1.014 149 H CA 0.689 56.693 56.048 -0.073 0.000 1.211 149 H CB -0.472 29.262 29.762 -0.046 0.000 1.365 149 H HN 0.378 nan 8.280 nan 0.000 0.594 150 K N 1.062 121.204 120.400 -0.429 0.000 2.374 150 K HA 0.218 4.540 4.320 0.004 0.000 0.196 150 K C 0.076 176.728 176.600 0.087 0.000 1.023 150 K CA -0.073 56.095 56.287 -0.198 0.000 1.103 150 K CB 1.308 33.619 32.500 -0.314 0.000 0.848 150 K HN 0.021 nan 8.250 nan 0.000 0.528 151 V N 2.108 122.054 119.914 0.054 0.000 2.465 151 V HA 0.219 4.341 4.120 0.004 0.000 0.279 151 V C -0.668 175.454 176.094 0.047 0.000 1.045 151 V CA -0.432 61.973 62.300 0.175 0.000 0.938 151 V CB 0.354 32.256 31.823 0.132 0.000 0.986 151 V HN 0.043 nan 8.190 nan 0.000 0.467 152 Y N 2.686 123.021 120.300 0.058 0.000 2.634 152 Y HA 0.786 5.339 4.550 0.005 0.000 0.340 152 Y C 0.174 176.137 175.900 0.104 0.000 1.058 152 Y CA -1.025 57.108 58.100 0.056 0.000 1.081 152 Y CB 2.066 40.532 38.460 0.010 0.000 1.295 152 Y HN 0.874 nan 8.280 nan 0.000 0.487 153 C N -1.067 118.400 119.300 0.279 0.000 3.171 153 C HA 0.657 5.119 4.460 0.004 0.000 0.336 153 C C -1.806 173.345 174.990 0.267 0.000 1.198 153 C CA -0.930 58.243 59.018 0.259 0.000 1.319 153 C CB 1.540 29.367 27.740 0.145 0.000 1.682 153 C HN 0.757 nan 8.230 nan 0.000 0.497 154 D N 4.075 124.676 120.400 0.336 0.000 2.329 154 D HA 0.487 5.130 4.640 0.004 0.000 0.232 154 D C -2.305 174.241 176.300 0.409 0.000 1.088 154 D CA -1.149 53.073 54.000 0.369 0.000 0.835 154 D CB 1.876 42.988 40.800 0.519 0.000 1.078 154 D HN 0.567 nan 8.370 nan 0.000 0.495 155 P HA 0.149 nan 4.420 nan 0.000 0.281 155 P C -0.760 176.786 177.300 0.411 0.000 1.286 155 P CA -0.398 62.876 63.100 0.291 0.000 0.772 155 P CB 0.349 32.157 31.700 0.179 0.000 0.862 156 W N 1.919 123.308 121.300 0.149 0.000 2.647 156 W HA 0.328 4.990 4.660 0.004 0.000 0.353 156 W C 0.525 177.168 176.519 0.205 0.000 1.080 156 W CA -0.188 57.299 57.345 0.237 0.000 1.208 156 W CB 0.760 30.322 29.460 0.170 0.000 1.396 156 W HN 0.199 nan 8.180 nan 0.000 0.573 157 T N 0.879 115.695 114.554 0.436 0.000 2.900 157 T HA 0.044 4.397 4.350 0.004 0.000 0.307 157 T C 0.995 175.823 174.700 0.214 0.000 1.065 157 T CA -0.484 61.726 62.100 0.184 0.000 1.105 157 T CB 0.805 69.671 68.868 -0.003 0.000 0.979 157 T HN 0.520 nan 8.240 nan 0.000 0.544 158 I N 0.874 121.518 120.570 0.124 0.000 3.176 158 I HA 0.104 4.276 4.170 0.004 0.000 0.275 158 I C 1.715 177.882 176.117 0.084 0.000 1.298 158 I CA 1.159 62.516 61.300 0.095 0.000 1.445 158 I CB -0.980 37.050 38.000 0.050 0.000 1.075 158 I HN 1.109 nan 8.210 nan 0.000 0.482 159 G N 1.016 109.857 108.800 0.070 0.000 4.766 159 G HA2 -0.387 3.575 3.960 0.004 0.000 0.314 159 G HA3 -0.387 3.575 3.960 0.004 0.000 0.314 159 G C -0.019 174.989 174.900 0.180 0.000 1.427 159 G CA 0.603 45.696 45.100 -0.012 0.000 1.024 159 G HN 0.442 nan 8.290 nan 0.000 0.754 160 Y N 1.810 122.158 120.300 0.080 0.000 2.376 160 Y HA 0.573 5.126 4.550 0.006 0.000 0.321 160 Y C -2.178 173.782 175.900 0.099 0.000 1.189 160 Y CA -0.667 57.494 58.100 0.101 0.000 1.069 160 Y CB 2.032 40.547 38.460 0.092 0.000 1.292 160 Y HN 0.459 nan 8.280 nan 0.000 0.430 161 D N 5.556 125.491 120.400 -0.776 0.000 2.542 161 D HA 0.135 4.777 4.640 0.004 0.000 0.252 161 D C 0.620 176.446 176.300 -0.790 0.000 1.222 161 D CA -0.240 53.440 54.000 -0.534 0.000 0.895 161 D CB 1.421 42.215 40.800 -0.009 0.000 1.207 161 D HN 0.834 nan 8.370 nan 0.000 0.558 162 E N 3.582 123.366 120.200 -0.694 0.000 2.396 162 E HA -0.192 4.160 4.350 0.004 0.000 0.200 162 E C 0.810 177.192 176.600 -0.364 0.000 1.023 162 E CA 0.657 56.822 56.400 -0.391 0.000 0.857 162 E CB -0.008 29.619 29.700 -0.121 0.000 0.775 162 E HN 0.469 nan 8.360 nan 0.000 0.525 163 R N -0.807 119.371 120.500 -0.537 0.000 2.236 163 R HA 0.035 4.378 4.340 0.004 0.000 0.208 163 R C 1.215 176.885 176.300 -1.049 0.000 1.036 163 R CA 1.105 56.649 56.100 -0.926 0.000 1.001 163 R CB 0.070 29.451 30.300 -1.531 0.000 0.896 163 R HN 0.341 nan 8.270 nan 0.000 0.464 164 W N -0.761 120.437 121.300 -0.171 0.000 2.413 164 W HA 0.301 4.959 4.660 -0.002 0.000 0.288 164 W C 0.982 177.466 176.519 -0.058 0.000 0.958 164 W CA 0.434 57.717 57.345 -0.103 0.000 1.333 164 W CB 0.010 29.415 29.460 -0.092 0.000 1.002 164 W HN 0.207 nan 8.180 nan 0.000 0.562 165 G N 2.136 110.987 108.800 0.085 0.000 2.611 165 G HA2 -0.424 3.538 3.960 0.004 0.000 0.301 165 G HA3 -0.424 3.538 3.960 0.004 0.000 0.301 165 G C 0.773 175.807 174.900 0.223 0.000 1.233 165 G CA 2.236 47.453 45.100 0.195 0.000 0.993 165 G HN 0.159 nan 8.290 nan 0.000 0.553 166 T N -1.925 112.750 114.554 0.202 0.000 3.092 166 T HA 0.494 4.846 4.350 0.004 0.000 0.258 166 T C 2.122 176.893 174.700 0.120 0.000 1.031 166 T CA 1.041 63.239 62.100 0.164 0.000 0.925 166 T CB 0.693 69.654 68.868 0.156 0.000 1.036 166 T HN 1.655 nan 8.240 nan 0.000 0.544 167 G N 1.258 110.137 108.800 0.132 0.000 2.501 167 G HA2 -0.019 3.943 3.960 0.004 0.000 0.220 167 G HA3 -0.019 3.943 3.960 0.004 0.000 0.220 167 G C 0.392 175.344 174.900 0.087 0.000 1.114 167 G CA 0.276 45.442 45.100 0.109 0.000 0.757 167 G HN 0.560 nan 8.290 nan 0.000 0.559 168 K N -0.825 119.622 120.400 0.079 0.000 2.523 168 K HA 0.373 4.695 4.320 0.004 0.000 0.257 168 K C -0.949 175.650 176.600 -0.002 0.000 0.932 168 K CA -0.956 55.341 56.287 0.015 0.000 0.812 168 K CB 1.853 34.331 32.500 -0.036 0.000 1.326 168 K HN -0.005 nan 8.250 nan 0.000 0.433 169 R N 4.039 124.528 120.500 -0.018 0.000 2.248 169 R HA 0.227 4.570 4.340 0.004 0.000 0.337 169 R C -1.005 175.273 176.300 -0.038 0.000 1.085 169 R CA -0.373 55.721 56.100 -0.010 0.000 0.934 169 R CB 0.191 30.487 30.300 -0.006 0.000 1.034 169 R HN 0.265 nan 8.270 nan 0.000 0.465 170 L N 2.939 124.141 121.223 -0.034 0.000 2.319 170 L HA 0.483 4.825 4.340 0.004 0.000 0.267 170 L C -0.180 176.688 176.870 -0.002 0.000 1.011 170 L CA -0.616 54.184 54.840 -0.067 0.000 0.818 170 L CB 1.930 43.898 42.059 -0.152 0.000 1.316 170 L HN 0.628 nan 8.230 nan 0.000 0.432 171 Q N 0.856 120.656 119.800 0.001 0.000 2.423 171 Q HA 0.603 4.946 4.340 0.004 0.000 0.278 171 Q C -1.348 174.687 176.000 0.058 0.000 1.097 171 Q CA -0.836 55.011 55.803 0.074 0.000 0.809 171 Q CB 3.227 32.023 28.738 0.097 0.000 1.391 171 Q HN 0.614 nan 8.270 nan 0.000 0.428 172 Q N -0.043 119.823 119.800 0.111 0.000 2.353 172 Q HA 0.820 5.163 4.340 0.004 0.000 0.268 172 Q C -1.541 174.509 176.000 0.084 0.000 1.045 172 Q CA -1.023 54.817 55.803 0.062 0.000 0.811 172 Q CB 1.996 30.747 28.738 0.020 0.000 1.305 172 Q HN 0.539 nan 8.270 nan 0.000 0.447 173 A N 4.391 127.238 122.820 0.045 0.000 2.258 173 A HA 0.488 4.810 4.320 0.004 0.000 0.316 173 A C -0.445 177.113 177.584 -0.043 0.000 1.279 173 A CA -0.845 51.223 52.037 0.052 0.000 0.876 173 A CB 0.481 19.522 19.000 0.069 0.000 1.170 173 A HN 0.811 nan 8.150 nan 0.000 0.520 174 L N 4.012 125.202 121.223 -0.055 0.000 2.295 174 L HA 0.241 4.583 4.340 0.004 0.000 0.288 174 L C -0.320 176.472 176.870 -0.130 0.000 1.079 174 L CA -0.524 54.221 54.840 -0.158 0.000 0.830 174 L CB 0.668 42.643 42.059 -0.141 0.000 1.200 174 L HN 0.417 nan 8.230 nan 0.000 0.438 175 V N 4.116 123.814 119.914 -0.359 0.000 2.583 175 V HA 0.278 4.400 4.120 0.004 0.000 0.287 175 V C -0.391 175.355 176.094 -0.579 0.000 1.051 175 V CA -0.161 61.930 62.300 -0.347 0.000 1.010 175 V CB 0.815 32.328 31.823 -0.516 0.000 0.988 175 V HN 0.424 nan 8.190 nan 0.000 0.478 176 Y N 2.463 122.751 120.300 -0.021 0.000 2.615 176 Y HA 0.592 5.145 4.550 0.004 0.000 0.341 176 Y C -0.783 175.214 175.900 0.162 0.000 1.089 176 Y CA -0.921 57.191 58.100 0.019 0.000 1.049 176 Y CB 1.988 40.384 38.460 -0.107 0.000 1.296 176 Y HN 0.590 nan 8.280 nan 0.000 0.470 177 Y N 1.502 121.940 120.300 0.229 0.000 2.446 177 Y HA 0.702 5.253 4.550 0.003 0.000 0.345 177 Y C -1.061 174.940 175.900 0.168 0.000 0.984 177 Y CA -1.363 56.854 58.100 0.195 0.000 1.058 177 Y CB 1.371 39.934 38.460 0.173 0.000 1.220 177 Y HN 0.543 nan 8.280 nan 0.000 0.455 178 R N 3.100 123.161 120.500 -0.731 0.000 2.480 178 R HA 0.249 4.591 4.340 0.004 0.000 0.306 178 R C 0.554 176.138 176.300 -1.193 0.000 0.958 178 R CA -0.010 55.577 56.100 -0.855 0.000 0.861 178 R CB 1.857 31.714 30.300 -0.739 0.000 1.171 178 R HN 0.912 nan 8.270 nan 0.000 0.445 179 S N 0.847 115.891 115.700 -1.094 0.000 2.436 179 S HA -0.089 4.384 4.470 0.004 0.000 0.228 179 S C 0.440 174.798 174.600 -0.404 0.000 1.014 179 S CA 0.796 58.649 58.200 -0.578 0.000 0.950 179 S CB 0.099 63.162 63.200 -0.229 0.000 0.784 179 S HN 0.668 nan 8.310 nan 0.000 0.504 180 D N -0.134 119.982 120.400 -0.474 0.000 2.934 180 D HA 0.235 4.877 4.640 0.004 0.000 0.230 180 D C 0.741 176.858 176.300 -0.305 0.000 1.204 180 D CA -0.459 53.370 54.000 -0.286 0.000 0.873 180 D CB 1.591 42.261 40.800 -0.217 0.000 1.645 180 D HN 0.196 nan 8.370 nan 0.000 0.502 181 E N 1.722 121.817 120.200 -0.174 0.000 2.219 181 E HA -0.266 4.087 4.350 0.004 0.000 0.198 181 E C 0.189 176.655 176.600 -0.224 0.000 0.998 181 E CA 1.200 57.512 56.400 -0.147 0.000 0.818 181 E CB -0.010 29.676 29.700 -0.024 0.000 0.741 181 E HN 0.391 nan 8.360 nan 0.000 0.477 182 D N 1.157 121.425 120.400 -0.220 0.000 2.340 182 D HA 0.036 4.678 4.640 0.004 0.000 0.220 182 D C -0.241 175.900 176.300 -0.264 0.000 1.039 182 D CA 0.259 54.113 54.000 -0.242 0.000 0.866 182 D CB -0.100 40.568 40.800 -0.221 0.000 0.913 182 D HN 0.184 nan 8.370 nan 0.000 0.523 183 D N -0.035 120.143 120.400 -0.369 0.000 2.360 183 D HA 0.019 4.662 4.640 0.004 0.000 0.242 183 D C 0.116 176.167 176.300 -0.414 0.000 1.184 183 D CA 0.186 53.895 54.000 -0.485 0.000 0.930 183 D CB 0.910 41.264 40.800 -0.744 0.000 1.161 183 D HN -0.221 nan 8.370 nan 0.000 0.447 184 S N 0.239 115.724 115.700 -0.359 0.000 2.404 184 S HA 0.034 4.506 4.470 0.004 0.000 0.309 184 S C 1.248 175.785 174.600 -0.106 0.000 1.076 184 S CA -0.667 57.415 58.200 -0.196 0.000 1.095 184 S CB 0.332 63.459 63.200 -0.123 0.000 0.972 184 S HN 0.366 nan 8.310 nan 0.000 0.484 185 Q N 4.074 123.691 119.800 -0.305 0.000 2.297 185 Q HA -0.206 4.137 4.340 0.004 0.000 0.208 185 Q C 0.405 176.278 176.000 -0.212 0.000 0.981 185 Q CA 1.777 57.402 55.803 -0.296 0.000 0.876 185 Q CB -0.657 27.741 28.738 -0.567 0.000 0.921 185 Q HN 0.884 nan 8.270 nan 0.000 0.446 186 Y N 2.080 122.356 120.300 -0.040 0.000 2.556 186 Y HA -0.121 4.431 4.550 0.004 0.000 0.290 186 Y C 2.533 178.641 175.900 0.345 0.000 1.149 186 Y CA 1.234 59.375 58.100 0.067 0.000 1.329 186 Y CB -0.125 38.358 38.460 0.038 0.000 0.975 186 Y HN 0.374 nan 8.280 nan 0.000 0.561 187 S N -1.928 114.020 115.700 0.415 0.000 2.558 187 S HA -0.020 4.453 4.470 0.004 0.000 0.217 187 S C 0.183 174.827 174.600 0.074 0.000 0.975 187 S CA 0.263 58.657 58.200 0.323 0.000 0.912 187 S CB -0.352 62.939 63.200 0.153 0.000 0.776 187 S HN 0.453 nan 8.310 nan 0.000 0.526 188 H N 2.223 121.365 119.070 0.121 0.000 2.386 188 H HA 0.439 4.997 4.556 0.003 0.000 0.232 188 H C -2.812 172.597 175.328 0.135 0.000 1.416 188 H CA -1.859 54.253 56.048 0.106 0.000 1.285 188 H CB 0.623 30.447 29.762 0.105 0.000 1.625 188 H HN 0.355 nan 8.280 nan 0.000 0.521 189 P HA 0.071 nan 4.420 nan 0.000 0.274 189 P C -0.014 177.088 177.300 -0.329 0.000 1.231 189 P CA -0.191 62.705 63.100 -0.340 0.000 0.790 189 P CB 1.910 33.359 31.700 -0.417 0.000 0.951 190 L N 1.795 122.762 121.223 -0.427 0.000 2.416 190 L HA 0.242 4.584 4.340 0.004 0.000 0.263 190 L C 1.714 178.350 176.870 -0.389 0.000 1.065 190 L CA -0.441 54.187 54.840 -0.352 0.000 0.798 190 L CB 0.568 42.361 42.059 -0.442 0.000 1.267 190 L HN 0.377 nan 8.230 nan 0.000 0.467 191 D N -0.831 119.463 120.400 -0.177 0.000 2.348 191 D HA -0.028 4.614 4.640 0.004 0.000 0.211 191 D C 0.153 176.583 176.300 0.216 0.000 0.998 191 D CA 0.184 54.183 54.000 -0.002 0.000 0.873 191 D CB -0.096 40.752 40.800 0.081 0.000 0.925 191 D HN 0.223 nan 8.370 nan 0.000 0.524 192 F N -0.577 119.417 119.950 0.074 0.000 2.457 192 F HA 0.606 5.137 4.527 0.006 0.000 0.330 192 F C -0.363 175.466 175.800 0.049 0.000 1.069 192 F CA -2.273 55.769 58.000 0.070 0.000 1.009 192 F CB 0.967 39.984 39.000 0.029 0.000 1.276 192 F HN -0.129 nan 8.300 nan 0.000 0.492 193 C N 3.698 123.123 119.300 0.209 0.000 2.534 193 C HA 0.592 5.054 4.460 0.004 0.000 0.309 193 C C -2.756 172.339 174.990 0.175 0.000 1.072 193 C CA -2.046 57.020 59.018 0.080 0.000 1.441 193 C CB -0.174 27.563 27.740 -0.006 0.000 1.906 193 C HN 0.663 nan 8.230 nan 0.000 0.429 194 P HA 0.390 nan 4.420 nan 0.000 0.272 194 P C -0.773 176.591 177.300 0.106 0.000 1.223 194 P CA 0.155 63.358 63.100 0.171 0.000 0.784 194 P CB 0.555 32.356 31.700 0.169 0.000 0.923 195 I N 1.742 122.366 120.570 0.090 0.000 2.410 195 I HA 0.259 4.432 4.170 0.004 0.000 0.286 195 I C -0.604 175.476 176.117 -0.061 0.000 1.009 195 I CA -0.887 60.410 61.300 -0.005 0.000 1.111 195 I CB 1.727 39.693 38.000 -0.057 0.000 1.262 195 I HN -0.046 nan 8.210 nan 0.000 0.443 196 V N 4.689 124.568 119.914 -0.057 0.000 2.483 196 V HA 0.266 4.389 4.120 0.004 0.000 0.295 196 V C -0.074 175.965 176.094 -0.090 0.000 1.035 196 V CA -0.671 61.597 62.300 -0.054 0.000 0.896 196 V CB 2.023 33.845 31.823 -0.002 0.000 0.986 196 V HN 0.618 nan 8.190 nan 0.000 0.447 197 D N 2.930 123.274 120.400 -0.092 0.000 2.365 197 D HA 0.132 4.775 4.640 0.004 0.000 0.237 197 D C 1.192 177.465 176.300 -0.046 0.000 1.190 197 D CA 0.012 53.956 54.000 -0.093 0.000 0.867 197 D CB 1.759 42.504 40.800 -0.091 0.000 1.050 197 D HN 0.629 nan 8.370 nan 0.000 0.491 198 T N 3.092 117.626 114.554 -0.033 0.000 2.665 198 T HA -0.210 4.142 4.350 0.004 0.000 0.268 198 T C 1.528 176.220 174.700 -0.012 0.000 1.035 198 T CA 1.180 63.275 62.100 -0.010 0.000 1.151 198 T CB 0.073 68.942 68.868 0.002 0.000 0.862 198 T HN 0.577 nan 8.240 nan 0.000 0.438 199 E N 0.495 120.683 120.200 -0.020 0.000 2.072 199 E HA -0.139 4.213 4.350 0.004 0.000 0.190 199 E C 1.940 178.530 176.600 -0.018 0.000 0.982 199 E CA 0.784 57.172 56.400 -0.020 0.000 0.803 199 E CB 0.100 29.785 29.700 -0.024 0.000 0.755 199 E HN 0.323 nan 8.360 nan 0.000 0.453 200 E N 0.618 120.805 120.200 -0.021 0.000 2.427 200 E HA -0.057 4.295 4.350 0.004 0.000 0.196 200 E C 0.144 176.736 176.600 -0.014 0.000 1.028 200 E CA 0.264 56.653 56.400 -0.018 0.000 0.864 200 E CB 0.071 29.758 29.700 -0.021 0.000 0.813 200 E HN 0.101 nan 8.360 nan 0.000 0.514 201 K N 0.816 121.209 120.400 -0.013 0.000 3.148 201 K HA -0.222 4.100 4.320 0.004 0.000 0.267 201 K C -0.400 176.196 176.600 -0.007 0.000 0.996 201 K CA 0.943 57.227 56.287 -0.006 0.000 0.737 201 K CB -1.300 31.199 32.500 -0.002 0.000 1.308 201 K HN 0.326 nan 8.250 nan 0.000 0.470 202 K N -2.498 117.894 120.400 -0.014 0.000 2.532 202 K HA 0.532 4.855 4.320 0.004 0.000 0.265 202 K C -0.711 175.877 176.600 -0.019 0.000 0.948 202 K CA -1.245 55.035 56.287 -0.012 0.000 0.842 202 K CB 1.672 34.166 32.500 -0.010 0.000 1.392 202 K HN -0.126 nan 8.250 nan 0.000 0.436 203 V N 3.621 123.530 119.914 -0.008 0.000 2.508 203 V HA 0.089 4.211 4.120 0.004 0.000 0.281 203 V C 1.245 177.335 176.094 -0.006 0.000 1.041 203 V CA -0.181 62.116 62.300 -0.005 0.000 1.016 203 V CB 0.391 32.220 31.823 0.010 0.000 0.984 203 V HN 0.853 nan 8.190 nan 0.000 0.478 204 I N 1.484 122.043 120.570 -0.018 0.000 4.057 204 I HA 0.546 4.718 4.170 0.004 0.000 0.334 204 I C 0.071 176.298 176.117 0.184 0.000 1.308 204 I CA 0.400 61.711 61.300 0.019 0.000 1.125 204 I CB 0.499 38.441 38.000 -0.097 0.000 1.034 204 I HN 0.480 nan 8.210 nan 0.000 0.401 205 F N 1.084 121.019 119.950 -0.026 0.000 2.769 205 F HA 0.601 5.128 4.527 0.001 0.000 0.313 205 F C -2.106 173.736 175.800 0.071 0.000 1.146 205 F CA -0.997 57.046 58.000 0.071 0.000 0.934 205 F CB 1.551 40.676 39.000 0.209 0.000 1.283 205 F HN -0.214 nan 8.300 nan 0.000 0.443 206 I N 3.674 124.075 120.570 -0.283 0.000 2.512 206 I HA 0.271 4.443 4.170 0.004 0.000 0.287 206 I C -1.403 174.761 176.117 0.078 0.000 1.069 206 I CA -0.794 60.505 61.300 -0.001 0.000 1.056 206 I CB 1.832 39.781 38.000 -0.085 0.000 1.229 206 I HN 0.351 nan 8.210 nan 0.000 0.429 207 D N 7.625 128.244 120.400 0.365 0.000 2.325 207 D HA 0.408 5.050 4.640 0.004 0.000 0.251 207 D C -0.232 176.229 176.300 0.268 0.000 1.196 207 D CA 0.324 54.573 54.000 0.415 0.000 0.866 207 D CB 1.577 42.619 40.800 0.404 0.000 1.101 207 D HN 0.299 nan 8.370 nan 0.000 0.476 208 I N 4.711 125.401 120.570 0.201 0.000 2.378 208 I HA 0.218 4.390 4.170 0.004 0.000 0.291 208 I C -1.846 174.362 176.117 0.151 0.000 0.992 208 I CA -1.897 59.495 61.300 0.154 0.000 1.154 208 I CB 1.904 39.931 38.000 0.045 0.000 1.315 208 I HN 0.083 nan 8.210 nan 0.000 0.448 209 P HA 0.182 nan 4.420 nan 0.000 0.272 209 P C -0.287 177.074 177.300 0.101 0.000 1.223 209 P CA -0.219 62.970 63.100 0.149 0.000 0.784 209 P CB 1.047 32.867 31.700 0.200 0.000 0.923 210 N N 0.376 119.125 118.700 0.081 0.000 2.142 210 N HA -0.098 4.644 4.740 0.004 0.000 0.186 210 N C 1.054 176.598 175.510 0.057 0.000 1.023 210 N CA 0.491 53.573 53.050 0.053 0.000 0.852 210 N CB 0.072 38.583 38.487 0.039 0.000 0.998 210 N HN 0.369 nan 8.380 nan 0.000 0.424 211 R N 1.954 122.500 120.500 0.077 0.000 2.196 211 R HA 0.137 4.479 4.340 0.004 0.000 0.340 211 R C -0.723 175.628 176.300 0.084 0.000 1.043 211 R CA -0.504 55.640 56.100 0.073 0.000 0.883 211 R CB 0.439 30.789 30.300 0.084 0.000 1.078 211 R HN 0.002 nan 8.270 nan 0.000 0.462 212 R N 3.253 123.790 120.500 0.060 0.000 2.490 212 R HA 0.266 4.608 4.340 0.004 0.000 0.278 212 R C -0.370 175.954 176.300 0.041 0.000 1.069 212 R CA -0.558 55.577 56.100 0.060 0.000 1.080 212 R CB 0.763 31.087 30.300 0.039 0.000 1.030 212 R HN 0.506 nan 8.270 nan 0.000 0.491 213 R N 1.250 121.769 120.500 0.032 0.000 2.483 213 R HA 0.290 4.632 4.340 0.004 0.000 0.303 213 R C -0.345 175.945 176.300 -0.018 0.000 0.987 213 R CA -0.451 55.644 56.100 -0.009 0.000 0.881 213 R CB 1.764 32.034 30.300 -0.051 0.000 1.177 213 R HN 0.348 nan 8.270 nan 0.000 0.451 214 K N 1.555 121.943 120.400 -0.021 0.000 2.138 214 K HA 0.282 4.604 4.320 0.004 0.000 0.251 214 K C 0.142 176.713 176.600 -0.049 0.000 1.015 214 K CA -0.731 55.541 56.287 -0.025 0.000 0.917 214 K CB 0.792 33.275 32.500 -0.029 0.000 1.021 214 K HN 0.268 nan 8.250 nan 0.000 0.485 215 V N 0.293 120.171 119.914 -0.060 0.000 2.953 215 V HA -0.090 4.033 4.120 0.004 0.000 0.304 215 V C 0.836 176.907 176.094 -0.039 0.000 1.138 215 V CA -0.259 62.001 62.300 -0.066 0.000 1.266 215 V CB 0.526 32.259 31.823 -0.149 0.000 0.923 215 V HN 0.780 nan 8.190 nan 0.000 0.505 216 S N 1.772 117.459 115.700 -0.021 0.000 2.549 216 S HA 0.200 4.672 4.470 0.004 0.000 0.283 216 S C 0.678 175.337 174.600 0.098 0.000 1.320 216 S CA -0.389 57.796 58.200 -0.026 0.000 1.058 216 S CB 0.500 63.528 63.200 -0.287 0.000 0.882 216 S HN 0.756 nan 8.310 nan 0.000 0.498 217 K N 2.501 122.897 120.400 -0.008 0.000 2.387 217 K HA 0.266 4.588 4.320 0.004 0.000 0.198 217 K C -0.153 176.435 176.600 -0.020 0.000 1.022 217 K CA 0.145 56.419 56.287 -0.020 0.000 1.128 217 K CB -0.052 32.379 32.500 -0.114 0.000 0.853 217 K HN 0.674 nan 8.250 nan 0.000 0.523 218 H N 0.079 119.247 119.070 0.162 0.000 2.544 218 H HA 0.214 4.773 4.556 0.004 0.000 0.365 218 H C 0.056 175.585 175.328 0.334 0.000 1.268 218 H CA -0.147 56.006 56.048 0.175 0.000 1.400 218 H CB 0.735 30.540 29.762 0.071 0.000 1.538 218 H HN -0.170 nan 8.280 nan 0.000 0.597 219 K N 0.730 121.395 120.400 0.441 0.000 2.219 219 K HA 0.093 4.416 4.320 0.004 0.000 0.258 219 K C -0.479 176.402 176.600 0.468 0.000 1.008 219 K CA -0.308 56.206 56.287 0.378 0.000 0.928 219 K CB 0.321 32.991 32.500 0.283 0.000 0.983 219 K HN 0.510 nan 8.250 nan 0.000 0.484 220 H N -0.140 119.046 119.070 0.194 0.000 2.690 220 H HA 0.157 4.715 4.556 0.003 0.000 0.365 220 H C -0.269 175.040 175.328 -0.033 0.000 1.142 220 H CA 0.090 56.205 56.048 0.112 0.000 1.417 220 H CB 0.849 30.523 29.762 -0.148 0.000 1.446 220 H HN 0.647 nan 8.280 nan 0.000 0.599 221 A N 3.966 126.685 122.820 -0.169 0.000 2.506 221 A HA 0.212 4.534 4.320 0.004 0.000 0.320 221 A C -0.104 177.311 177.584 -0.282 0.000 1.424 221 A CA -0.682 51.136 52.037 -0.365 0.000 1.044 221 A CB -0.558 17.972 19.000 -0.782 0.000 1.140 221 A HN 0.656 nan 8.150 nan 0.000 0.538 222 N N 0.959 119.504 118.700 -0.259 0.000 2.477 222 N HA 0.613 5.355 4.740 0.004 0.000 0.284 222 N C -0.173 175.243 175.510 -0.157 0.000 1.182 222 N CA -0.315 52.468 53.050 -0.444 0.000 0.949 222 N CB 1.199 39.084 38.487 -1.003 0.000 1.204 222 N HN 0.587 nan 8.380 nan 0.000 0.526 223 F N -2.073 117.879 119.950 0.004 0.000 2.838 223 F HA 0.446 4.975 4.527 0.004 0.000 0.329 223 F C -0.398 175.437 175.800 0.058 0.000 1.116 223 F CA -0.825 57.181 58.000 0.011 0.000 1.155 223 F CB -0.547 38.377 39.000 -0.127 0.000 1.106 223 F HN 0.198 nan 8.300 nan 0.000 0.538 224 Y N 2.390 122.832 120.300 0.236 0.000 2.300 224 Y HA 0.358 4.910 4.550 0.004 0.000 0.328 224 Y C -1.062 174.860 175.900 0.036 0.000 1.270 224 Y CA -1.753 56.421 58.100 0.122 0.000 1.352 224 Y CB 0.333 38.743 38.460 -0.083 0.000 1.286 224 Y HN -0.226 nan 8.280 nan 0.000 0.536 225 P HA -0.300 nan 4.420 nan 0.000 0.217 225 P C 1.159 178.473 177.300 0.023 0.000 1.162 225 P CA 2.909 66.049 63.100 0.067 0.000 0.901 225 P CB 0.119 31.851 31.700 0.054 0.000 0.793 226 K N -1.067 119.296 120.400 -0.062 0.000 2.103 226 K HA -0.227 4.095 4.320 0.004 0.000 0.207 226 K C 1.758 178.316 176.600 -0.070 0.000 1.048 226 K CA 1.835 58.053 56.287 -0.115 0.000 0.930 226 K CB -1.198 31.171 32.500 -0.219 0.000 0.716 226 K HN 0.292 nan 8.250 nan 0.000 0.444 227 H N 0.019 119.111 119.070 0.037 0.000 2.333 227 H HA 0.048 4.606 4.556 0.004 0.000 0.302 227 H C 2.187 177.538 175.328 0.037 0.000 1.075 227 H CA 1.407 57.468 56.048 0.021 0.000 1.348 227 H CB 0.048 29.811 29.762 0.001 0.000 1.393 227 H HN 0.078 nan 8.280 nan 0.000 0.509 228 M N 0.273 119.977 119.600 0.172 0.000 2.159 228 M HA -0.116 4.366 4.480 0.004 0.000 0.263 228 M C 2.314 178.663 176.300 0.081 0.000 1.063 228 M CA 1.259 56.628 55.300 0.115 0.000 1.110 228 M CB -0.683 31.976 32.600 0.097 0.000 1.374 228 M HN 0.323 nan 8.290 nan 0.000 0.411 229 I N -0.326 120.282 120.570 0.063 0.000 2.286 229 I HA -0.264 3.908 4.170 0.004 0.000 0.248 229 I C 2.608 178.755 176.117 0.050 0.000 1.115 229 I CA 1.139 62.465 61.300 0.045 0.000 1.392 229 I CB -0.336 37.680 38.000 0.026 0.000 1.065 229 I HN 0.361 nan 8.210 nan 0.000 0.418 230 E N 1.074 121.312 120.200 0.063 0.000 2.158 230 E HA -0.206 4.146 4.350 0.004 0.000 0.191 230 E C 2.022 178.667 176.600 0.075 0.000 0.982 230 E CA 0.946 57.385 56.400 0.066 0.000 0.823 230 E CB 0.254 30.000 29.700 0.077 0.000 0.766 230 E HN 0.387 nan 8.360 nan 0.000 0.468 231 K N 0.416 120.869 120.400 0.088 0.000 1.975 231 K HA -0.063 4.259 4.320 0.004 0.000 0.210 231 K C 1.530 178.175 176.600 0.075 0.000 1.041 231 K CA 1.311 57.651 56.287 0.090 0.000 0.942 231 K CB -0.031 32.530 32.500 0.102 0.000 0.729 231 K HN 0.028 nan 8.250 nan 0.000 0.439 232 V N -2.159 117.796 119.914 0.068 0.000 3.613 232 V HA 0.422 4.545 4.120 0.004 0.000 0.283 232 V C 1.422 177.545 176.094 0.048 0.000 1.052 232 V CA 0.008 62.342 62.300 0.056 0.000 0.937 232 V CB 0.403 32.257 31.823 0.053 0.000 1.241 232 V HN 0.352 nan 8.190 nan 0.000 0.429 233 G N -0.621 108.202 108.800 0.040 0.000 2.394 233 G HA2 0.459 4.422 3.960 0.004 0.000 0.214 233 G HA3 0.459 4.422 3.960 0.004 0.000 0.214 233 G C 0.419 175.338 174.900 0.032 0.000 1.176 233 G CA 0.984 46.105 45.100 0.034 0.000 0.786 233 G HN 1.631 nan 8.290 nan 0.000 0.533 234 A N -1.720 121.118 122.820 0.031 0.000 2.536 234 A HA 0.681 5.003 4.320 0.004 0.000 0.293 234 A C -0.641 176.960 177.584 0.028 0.000 1.119 234 A CA -0.667 51.386 52.037 0.027 0.000 0.654 234 A CB 0.632 19.644 19.000 0.021 0.000 1.291 234 A HN 0.014 nan 8.150 nan 0.000 0.439 235 M N 0.634 120.249 119.600 0.025 0.000 2.197 235 M HA 0.373 4.855 4.480 0.004 0.000 0.305 235 M C 0.671 176.982 176.300 0.019 0.000 1.162 235 M CA 0.093 55.407 55.300 0.024 0.000 1.099 235 M CB 0.103 32.716 32.600 0.022 0.000 1.430 235 M HN 0.749 nan 8.290 nan 0.000 0.481 236 R N 0.405 120.915 120.500 0.017 0.000 2.637 236 R HA 0.410 4.752 4.340 0.004 0.000 0.269 236 R C -2.102 174.205 176.300 0.011 0.000 1.089 236 R CA -1.359 54.749 56.100 0.013 0.000 1.177 236 R CB -0.509 29.797 30.300 0.011 0.000 1.091 236 R HN 0.381 nan 8.270 nan 0.000 0.540 237 P HA 0.050 nan 4.420 nan 0.000 0.275 237 P C -0.927 176.377 177.300 0.007 0.000 1.228 237 P CA -0.367 62.738 63.100 0.008 0.000 0.786 237 P CB 0.549 32.253 31.700 0.007 0.000 0.927 238 E N 0.994 121.198 120.200 0.006 0.000 2.465 238 E HA 0.274 4.626 4.350 0.004 0.000 0.260 238 E C -0.160 176.443 176.600 0.004 0.000 0.980 238 E CA -0.004 56.399 56.400 0.005 0.000 0.927 238 E CB 0.177 29.880 29.700 0.005 0.000 0.934 238 E HN 0.477 nan 8.360 nan 0.000 0.459 239 A N 5.387 128.208 122.820 0.002 0.000 2.351 239 A HA 0.397 4.719 4.320 0.004 0.000 0.257 239 A C -2.049 175.536 177.584 0.002 0.000 1.087 239 A CA -1.335 50.703 52.037 0.002 0.000 0.798 239 A CB -0.081 18.919 19.000 0.000 0.000 1.033 239 A HN 0.566 nan 8.150 nan 0.000 0.488 240 P HA 0.147 nan 4.420 nan 0.000 0.264 240 P C -2.202 175.099 177.300 0.001 0.000 1.183 240 P CA -0.299 62.802 63.100 0.002 0.000 0.763 240 P CB -0.089 31.612 31.700 0.002 0.000 0.807 241 P HA 0.204 nan 4.420 nan 0.000 0.272 241 P C -0.699 176.601 177.300 0.001 0.000 1.223 241 P CA 0.198 63.299 63.100 0.002 0.000 0.784 241 P CB 0.904 32.606 31.700 0.003 0.000 0.923 242 I N 2.498 123.068 120.570 0.001 0.000 2.464 242 I HA 0.208 4.381 4.170 0.004 0.000 0.277 242 I C 0.021 176.139 176.117 0.002 0.000 1.040 242 I CA -0.636 60.664 61.300 0.001 0.000 1.153 242 I CB 0.759 38.758 38.000 -0.001 0.000 1.274 242 I HN 0.171 nan 8.210 nan 0.000 0.469 243 N N 5.756 124.459 118.700 0.004 0.000 2.479 243 N HA 0.380 5.123 4.740 0.004 0.000 0.285 243 N C -0.631 174.884 175.510 0.009 0.000 1.075 243 N CA -0.345 52.709 53.050 0.006 0.000 0.967 243 N CB 2.841 41.332 38.487 0.007 0.000 1.137 243 N HN 0.161 nan 8.380 nan 0.000 0.472 244 V N 1.898 121.818 119.914 0.010 0.000 2.349 244 V HA 0.340 4.463 4.120 0.004 0.000 0.284 244 V C 0.039 176.144 176.094 0.019 0.000 1.014 244 V CA -0.637 61.673 62.300 0.017 0.000 0.826 244 V CB 1.092 32.927 31.823 0.019 0.000 1.009 244 V HN 0.789 nan 8.190 nan 0.000 0.431 245 T N 1.890 116.456 114.554 0.020 0.000 2.885 245 T HA 0.630 4.983 4.350 0.004 0.000 0.285 245 T C -0.502 174.211 174.700 0.022 0.000 1.019 245 T CA -0.769 61.342 62.100 0.018 0.000 1.010 245 T CB 2.239 71.115 68.868 0.013 0.000 1.022 245 T HN 0.500 nan 8.240 nan 0.000 0.466 246 Q N 1.881 121.693 119.800 0.019 0.000 2.965 246 Q HA 0.244 4.586 4.340 0.004 0.000 0.288 246 Q C -1.958 174.045 176.000 0.004 0.000 0.974 246 Q CA -1.926 53.886 55.803 0.016 0.000 0.849 246 Q CB 1.261 30.010 28.738 0.018 0.000 1.280 246 Q HN 0.568 nan 8.270 nan 0.000 0.441 247 P HA -0.199 nan 4.420 nan 0.000 0.217 247 P C 0.114 177.411 177.300 -0.004 0.000 1.148 247 P CA 1.353 64.454 63.100 0.001 0.000 0.828 247 P CB 0.334 32.037 31.700 0.004 0.000 0.783 248 E N -1.053 119.143 120.200 -0.007 0.000 2.499 248 E HA 0.366 4.718 4.350 0.004 0.000 0.199 248 E C 0.836 177.419 176.600 -0.028 0.000 1.016 248 E CA 0.014 56.407 56.400 -0.013 0.000 0.933 248 E CB 0.178 29.872 29.700 -0.009 0.000 1.050 248 E HN 0.154 nan 8.360 nan 0.000 0.462 249 G N 0.833 109.612 108.800 -0.035 0.000 2.582 249 G HA2 -0.210 3.753 3.960 0.004 0.000 0.222 249 G HA3 -0.210 3.753 3.960 0.004 0.000 0.222 249 G C -0.318 174.524 174.900 -0.097 0.000 1.311 249 G CA -0.526 44.532 45.100 -0.069 0.000 0.915 249 G HN 0.398 nan 8.290 nan 0.000 0.528 250 V N -2.684 117.110 119.914 -0.199 0.000 2.994 250 V HA 0.876 4.999 4.120 0.004 0.000 0.318 250 V C 1.423 177.379 176.094 -0.230 0.000 1.085 250 V CA 0.835 62.965 62.300 -0.283 0.000 0.998 250 V CB 1.474 32.851 31.823 -0.742 0.000 1.063 250 V HN 2.272 nan 8.190 nan 0.000 0.447 251 S N 1.713 117.376 115.700 -0.061 0.000 2.478 251 S HA 0.131 4.604 4.470 0.004 0.000 0.222 251 S C 0.658 175.346 174.600 0.146 0.000 1.008 251 S CA 0.283 58.517 58.200 0.057 0.000 0.928 251 S CB -0.696 62.591 63.200 0.146 0.000 0.781 251 S HN 1.089 nan 8.310 nan 0.000 0.518 252 F N 1.706 121.811 119.950 0.258 0.000 2.406 252 F HA 0.698 5.227 4.527 0.004 0.000 0.327 252 F C -0.025 175.803 175.800 0.047 0.000 1.153 252 F CA -1.347 56.778 58.000 0.208 0.000 1.218 252 F CB 0.544 39.629 39.000 0.141 0.000 1.215 252 F HN -0.034 nan 8.300 nan 0.000 0.570 253 K N 3.554 124.134 120.400 0.300 0.000 2.545 253 K HA 0.365 4.688 4.320 0.004 0.000 0.252 253 K C -1.513 175.129 176.600 0.070 0.000 0.948 253 K CA -0.759 55.606 56.287 0.131 0.000 0.827 253 K CB 1.009 33.540 32.500 0.051 0.000 1.128 253 K HN 0.712 nan 8.250 nan 0.000 0.429 254 M N 2.965 122.585 119.600 0.034 0.000 2.157 254 M HA 0.231 4.713 4.480 0.004 0.000 0.354 254 M C -0.699 175.575 176.300 -0.044 0.000 1.170 254 M CA -0.247 54.979 55.300 -0.124 0.000 1.060 254 M CB 1.370 33.735 32.600 -0.393 0.000 1.615 254 M HN 0.526 nan 8.290 nan 0.000 0.460 255 T N 2.801 117.321 114.554 -0.057 0.000 3.064 255 T HA 0.566 4.918 4.350 0.004 0.000 0.367 255 T C 0.745 175.445 174.700 0.001 0.000 1.202 255 T CA 0.223 62.324 62.100 0.001 0.000 1.133 255 T CB 0.875 69.754 68.868 0.017 0.000 1.074 255 T HN 1.024 nan 8.240 nan 0.000 0.519 256 G N 4.085 112.898 108.800 0.022 0.000 2.543 256 G HA2 -0.305 3.658 3.960 0.004 0.000 0.286 256 G HA3 -0.305 3.658 3.960 0.004 0.000 0.286 256 G C 0.687 175.556 174.900 -0.053 0.000 1.153 256 G CA 0.044 45.160 45.100 0.026 0.000 0.968 256 G HN 0.549 nan 8.290 nan 0.000 0.544 257 N N 0.478 119.101 118.700 -0.129 0.000 2.236 257 N HA 0.225 4.967 4.740 0.004 0.000 0.196 257 N C 0.419 175.653 175.510 -0.459 0.000 1.114 257 N CA 0.563 53.412 53.050 -0.335 0.000 0.859 257 N CB 1.005 39.172 38.487 -0.533 0.000 0.982 257 N HN 0.368 nan 8.380 nan 0.000 0.493 258 V N 2.398 122.148 119.914 -0.275 0.000 2.461 258 V HA 0.202 4.325 4.120 0.004 0.000 0.275 258 V C 0.264 176.155 176.094 -0.339 0.000 1.047 258 V CA -0.408 61.739 62.300 -0.254 0.000 0.955 258 V CB 1.212 33.011 31.823 -0.040 0.000 0.988 258 V HN 0.108 nan 8.190 nan 0.000 0.471 259 M N 5.341 124.596 119.600 -0.576 0.000 2.404 259 M HA 0.545 5.028 4.480 0.004 0.000 0.338 259 M C -0.634 175.382 176.300 -0.473 0.000 1.150 259 M CA 0.170 55.061 55.300 -0.680 0.000 1.016 259 M CB 1.530 33.348 32.600 -1.304 0.000 1.672 259 M HN 0.639 nan 8.290 nan 0.000 0.448 260 E N 3.523 123.601 120.200 -0.203 0.000 2.265 260 E HA 0.442 4.795 4.350 0.004 0.000 0.262 260 E C -2.310 174.389 176.600 0.166 0.000 0.889 260 E CA -0.251 56.135 56.400 -0.024 0.000 0.789 260 E CB 1.653 31.346 29.700 -0.011 0.000 1.221 260 E HN 0.763 nan 8.360 nan 0.000 0.414 261 W N 2.633 123.936 121.300 0.004 0.000 3.624 261 W HA 0.209 4.872 4.660 0.004 0.000 0.312 261 W C -0.221 176.392 176.519 0.157 0.000 1.203 261 W CA -0.413 56.989 57.345 0.095 0.000 1.225 261 W CB 1.544 31.066 29.460 0.103 0.000 1.321 261 W HN 0.428 nan 8.180 nan 0.000 0.506 262 S N 5.014 120.335 115.700 -0.631 0.000 3.491 262 S HA -0.324 4.149 4.470 0.004 0.000 0.371 262 S C 0.798 175.134 174.600 -0.441 0.000 0.980 262 S CA 1.960 59.739 58.200 -0.701 0.000 1.204 262 S CB -1.378 61.008 63.200 -1.356 0.000 0.915 262 S HN 0.985 nan 8.310 nan 0.000 0.482 263 N N -2.517 115.938 118.700 -0.408 0.000 2.972 263 N HA -0.175 4.568 4.740 0.004 0.000 0.225 263 N C -0.263 174.911 175.510 -0.559 0.000 0.883 263 N CA 1.655 54.313 53.050 -0.655 0.000 1.010 263 N CB -1.474 36.236 38.487 -1.296 0.000 1.052 263 N HN 0.557 nan 8.380 nan 0.000 0.598 264 F N 1.639 121.523 119.950 -0.109 0.000 2.384 264 F HA 0.439 4.968 4.527 0.004 0.000 0.338 264 F C 0.950 176.815 175.800 0.108 0.000 1.103 264 F CA 0.124 58.216 58.000 0.153 0.000 1.157 264 F CB 1.085 40.326 39.000 0.402 0.000 1.167 264 F HN -0.220 nan 8.300 nan 0.000 0.529 265 K N 5.118 125.749 120.400 0.386 0.000 2.507 265 K HA 0.538 4.860 4.320 0.004 0.000 0.251 265 K C -1.766 175.014 176.600 0.299 0.000 0.943 265 K CA -0.459 55.933 56.287 0.176 0.000 0.794 265 K CB 1.583 34.146 32.500 0.104 0.000 1.188 265 K HN 0.556 nan 8.250 nan 0.000 0.428 266 F N -0.154 119.801 119.950 0.008 0.000 2.741 266 F HA 0.408 4.937 4.527 0.004 0.000 0.313 266 F C -1.336 174.444 175.800 -0.034 0.000 1.153 266 F CA -1.172 56.832 58.000 0.006 0.000 0.931 266 F CB 1.003 39.974 39.000 -0.048 0.000 1.335 266 F HN 0.391 nan 8.300 nan 0.000 0.460 267 H N 2.712 121.841 119.070 0.099 0.000 2.488 267 H HA 0.516 5.074 4.556 0.004 0.000 0.322 267 H C -1.098 174.220 175.328 -0.017 0.000 1.078 267 H CA -0.573 55.414 56.048 -0.102 0.000 1.260 267 H CB 1.336 30.954 29.762 -0.240 0.000 1.425 267 H HN 0.726 nan 8.280 nan 0.000 0.471 268 I N 5.639 125.904 120.570 -0.508 0.000 2.291 268 I HA 0.220 4.392 4.170 0.004 0.000 0.290 268 I C 1.009 176.950 176.117 -0.294 0.000 1.050 268 I CA -0.270 60.883 61.300 -0.245 0.000 1.245 268 I CB 0.972 38.854 38.000 -0.197 0.000 1.405 268 I HN 0.542 nan 8.210 nan 0.000 0.478 269 G N 5.377 114.183 108.800 0.009 0.000 2.705 269 G HA2 0.740 4.702 3.960 0.004 0.000 0.299 269 G HA3 0.740 4.702 3.960 0.004 0.000 0.299 269 G C -1.563 173.470 174.900 0.222 0.000 1.315 269 G CA -0.388 44.810 45.100 0.164 0.000 1.045 269 G HN 0.405 nan 8.290 nan 0.000 0.517 270 F N 0.572 120.549 119.950 0.045 0.000 2.669 270 F HA 0.435 4.964 4.527 0.004 0.000 0.315 270 F C -1.337 174.534 175.800 0.118 0.000 1.109 270 F CA -0.940 57.093 58.000 0.055 0.000 1.028 270 F CB 1.862 40.889 39.000 0.046 0.000 1.287 270 F HN 0.807 nan 8.300 nan 0.000 0.452 271 N N 2.657 121.177 118.700 -0.300 0.000 2.525 271 N HA 0.254 4.996 4.740 0.004 0.000 0.270 271 N C 0.243 175.610 175.510 -0.238 0.000 1.321 271 N CA -0.504 52.541 53.050 -0.009 0.000 0.797 271 N CB 0.484 39.017 38.487 0.077 0.000 1.529 271 N HN 0.535 nan 8.380 nan 0.000 0.491 272 Y N -0.658 119.492 120.300 -0.250 0.000 2.283 272 Y HA -0.106 4.447 4.550 0.004 0.000 0.285 272 Y C 2.043 177.452 175.900 -0.820 0.000 1.176 272 Y CA 1.627 59.169 58.100 -0.929 0.000 1.229 272 Y CB -0.435 37.115 38.460 -1.516 0.000 0.975 272 Y HN 0.678 nan 8.280 nan 0.000 0.537 273 R N 0.354 119.925 120.500 -1.549 0.000 2.056 273 R HA 0.048 4.390 4.340 0.004 0.000 0.215 273 R C 2.052 177.918 176.300 -0.724 0.000 1.205 273 R CA 1.062 56.397 56.100 -1.276 0.000 1.020 273 R CB -0.030 29.293 30.300 -1.628 0.000 0.911 273 R HN 0.443 nan 8.270 nan 0.000 0.451 274 E N -0.245 119.631 120.200 -0.540 0.000 2.285 274 E HA 0.126 4.479 4.350 0.004 0.000 0.194 274 E C 0.890 177.280 176.600 -0.351 0.000 0.997 274 E CA 0.421 56.631 56.400 -0.317 0.000 0.845 274 E CB 0.353 29.957 29.700 -0.160 0.000 0.782 274 E HN 0.575 nan 8.360 nan 0.000 0.491 275 G N 1.838 110.262 108.800 -0.628 0.000 2.527 275 G HA2 -0.326 3.637 3.960 0.004 0.000 0.262 275 G HA3 -0.326 3.637 3.960 0.004 0.000 0.262 275 G C 0.032 174.469 174.900 -0.771 0.000 1.153 275 G CA -0.226 44.346 45.100 -0.881 0.000 0.954 275 G HN 0.174 nan 8.290 nan 0.000 0.552 276 I N 1.148 121.656 120.570 -0.104 0.000 2.648 276 I HA 0.354 4.527 4.170 0.004 0.000 0.284 276 I C 0.279 176.289 176.117 -0.177 0.000 1.153 276 I CA 0.064 61.401 61.300 0.063 0.000 1.426 276 I CB 0.934 39.042 38.000 0.180 0.000 1.381 276 I HN 0.328 nan 8.210 nan 0.000 0.571 277 V N 7.854 127.662 119.914 -0.177 0.000 2.447 277 V HA 0.326 4.449 4.120 0.004 0.000 0.292 277 V C -0.117 175.834 176.094 -0.237 0.000 1.021 277 V CA -0.532 61.619 62.300 -0.249 0.000 0.850 277 V CB 1.519 33.253 31.823 -0.149 0.000 1.005 277 V HN 0.444 nan 8.190 nan 0.000 0.426 278 L N 4.123 125.106 121.223 -0.401 0.000 2.265 278 L HA 0.652 4.994 4.340 0.004 0.000 0.288 278 L C 0.303 177.064 176.870 -0.182 0.000 1.058 278 L CA 0.231 54.915 54.840 -0.261 0.000 0.809 278 L CB 1.419 43.214 42.059 -0.441 0.000 1.179 278 L HN 0.605 nan 8.230 nan 0.000 0.429 279 S N 0.639 116.315 115.700 -0.039 0.000 2.671 279 S HA 0.280 4.752 4.470 0.004 0.000 0.299 279 S C -0.454 174.161 174.600 0.025 0.000 1.116 279 S CA -0.609 57.516 58.200 -0.126 0.000 0.912 279 S CB 1.703 64.747 63.200 -0.260 0.000 1.130 279 S HN 0.765 nan 8.310 nan 0.000 0.501 280 D N 1.003 121.378 120.400 -0.041 0.000 2.740 280 D HA -0.147 4.495 4.640 0.004 0.000 0.231 280 D C -0.660 175.789 176.300 0.248 0.000 1.194 280 D CA 0.359 54.468 54.000 0.181 0.000 0.673 280 D CB -1.194 39.792 40.800 0.309 0.000 0.995 280 D HN 0.228 nan 8.370 nan 0.000 0.411 281 V N 1.086 121.130 119.914 0.217 0.000 2.498 281 V HA 0.596 4.718 4.120 0.004 0.000 0.279 281 V C 0.871 177.103 176.094 0.229 0.000 1.048 281 V CA 0.311 62.772 62.300 0.268 0.000 0.967 281 V CB 1.495 33.448 31.823 0.216 0.000 0.988 281 V HN 0.525 nan 8.190 nan 0.000 0.473 282 S N 4.266 120.152 115.700 0.311 0.000 2.607 282 S HA 0.739 5.211 4.470 0.004 0.000 0.273 282 S C -1.438 173.360 174.600 0.331 0.000 1.148 282 S CA -0.796 57.561 58.200 0.261 0.000 0.833 282 S CB 1.949 65.269 63.200 0.199 0.000 1.130 282 S HN 0.613 nan 8.310 nan 0.000 0.470 283 Y N 1.860 122.237 120.300 0.128 0.000 2.361 283 Y HA 0.541 5.093 4.550 0.004 0.000 0.337 283 Y C -0.464 175.471 175.900 0.060 0.000 0.965 283 Y CA -0.772 57.340 58.100 0.021 0.000 1.091 283 Y CB 1.602 40.042 38.460 -0.032 0.000 1.182 283 Y HN 0.864 nan 8.280 nan 0.000 0.450 284 N N 4.837 123.276 118.700 -0.434 0.000 2.508 284 N HA 0.012 4.754 4.740 0.004 0.000 0.253 284 N C -1.133 174.266 175.510 -0.185 0.000 1.145 284 N CA 0.106 53.011 53.050 -0.241 0.000 0.973 284 N CB 0.080 38.400 38.487 -0.278 0.000 1.305 284 N HN 0.653 nan 8.380 nan 0.000 0.506 285 D N 2.527 123.032 120.400 0.175 0.000 2.517 285 D HA 0.063 4.705 4.640 0.004 0.000 0.220 285 D C -0.405 175.978 176.300 0.139 0.000 1.158 285 D CA -0.086 54.089 54.000 0.291 0.000 0.992 285 D CB -0.771 40.290 40.800 0.435 0.000 1.058 285 D HN 0.549 nan 8.370 nan 0.000 0.516 286 H N 1.599 120.714 119.070 0.074 0.000 2.506 286 H HA -0.200 4.358 4.556 0.004 0.000 0.323 286 H C 1.499 176.835 175.328 0.013 0.000 1.076 286 H CA 1.013 57.076 56.048 0.025 0.000 1.108 286 H CB -0.986 28.794 29.762 0.029 0.000 1.569 286 H HN 0.681 nan 8.280 nan 0.000 0.399 287 G N 0.063 108.892 108.800 0.048 0.000 2.284 287 G HA2 -0.360 3.603 3.960 0.004 0.000 0.230 287 G HA3 -0.360 3.603 3.960 0.004 0.000 0.230 287 G C 0.308 175.227 174.900 0.031 0.000 1.021 287 G CA 0.087 45.207 45.100 0.034 0.000 0.619 287 G HN 0.758 nan 8.290 nan 0.000 0.510 288 N N 0.889 119.622 118.700 0.056 0.000 2.521 288 N HA 0.407 5.150 4.740 0.004 0.000 0.236 288 N C 0.143 175.691 175.510 0.063 0.000 1.067 288 N CA -0.346 52.733 53.050 0.047 0.000 0.939 288 N CB 0.639 39.154 38.487 0.047 0.000 1.201 288 N HN 0.078 nan 8.380 nan 0.000 0.511 289 V N 4.667 124.606 119.914 0.042 0.000 2.403 289 V HA 0.117 4.240 4.120 0.004 0.000 0.265 289 V C 0.494 176.639 176.094 0.085 0.000 1.034 289 V CA 0.067 62.402 62.300 0.059 0.000 1.036 289 V CB -0.211 31.632 31.823 0.034 0.000 1.032 289 V HN 0.583 nan 8.190 nan 0.000 0.478 290 R N 5.833 126.423 120.500 0.151 0.000 2.338 290 R HA 0.445 4.788 4.340 0.004 0.000 0.317 290 R C -2.762 173.666 176.300 0.213 0.000 0.968 290 R CA -1.872 54.327 56.100 0.166 0.000 0.849 290 R CB 1.505 31.911 30.300 0.176 0.000 1.128 290 R HN 0.396 nan 8.270 nan 0.000 0.448 291 P HA 0.105 nan 4.420 nan 0.000 0.271 291 P C -0.089 177.253 177.300 0.070 0.000 1.218 291 P CA 0.146 63.317 63.100 0.119 0.000 0.780 291 P CB 0.876 32.633 31.700 0.095 0.000 0.901 292 I N 0.387 120.897 120.570 -0.100 0.000 3.623 292 I HA 0.201 4.373 4.170 0.004 0.000 0.253 292 I C -0.040 175.712 176.117 -0.609 0.000 1.144 292 I CA 0.461 61.431 61.300 -0.550 0.000 1.461 292 I CB 0.207 37.641 38.000 -0.943 0.000 1.575 292 I HN 0.130 nan 8.210 nan 0.000 0.445 293 F N -0.090 119.816 119.950 -0.072 0.000 2.551 293 F HA 0.359 4.889 4.527 0.004 0.000 0.316 293 F C 1.019 176.821 175.800 0.003 0.000 1.089 293 F CA -0.934 57.022 58.000 -0.072 0.000 0.915 293 F CB 0.793 39.700 39.000 -0.155 0.000 1.186 293 F HN -0.019 nan 8.300 nan 0.000 0.456 294 H N 1.453 120.599 119.070 0.126 0.000 2.431 294 H HA 0.302 4.860 4.556 0.004 0.000 0.295 294 H C 0.111 175.424 175.328 -0.025 0.000 1.038 294 H CA 0.797 56.864 56.048 0.032 0.000 1.360 294 H CB 0.587 30.326 29.762 -0.038 0.000 1.433 294 H HN 0.577 nan 8.280 nan 0.000 0.536 295 R N 0.457 120.856 120.500 -0.169 0.000 2.594 295 R HA 0.420 4.762 4.340 0.004 0.000 0.265 295 R C -2.121 174.016 176.300 -0.272 0.000 1.070 295 R CA -0.540 55.390 56.100 -0.282 0.000 0.909 295 R CB 2.097 32.209 30.300 -0.314 0.000 1.243 295 R HN 0.236 nan 8.270 nan 0.000 0.455 296 I N 2.406 122.772 120.570 -0.339 0.000 2.692 296 I HA 0.607 4.779 4.170 0.004 0.000 0.293 296 I C -1.616 174.225 176.117 -0.460 0.000 1.200 296 I CA -0.069 60.985 61.300 -0.410 0.000 1.036 296 I CB 2.127 39.826 38.000 -0.501 0.000 1.258 296 I HN 0.943 nan 8.210 nan 0.000 0.421 297 S N 6.079 121.617 115.700 -0.268 0.000 2.656 297 S HA 0.452 4.924 4.470 0.004 0.000 0.265 297 S C -1.807 172.891 174.600 0.163 0.000 1.110 297 S CA -1.065 57.062 58.200 -0.122 0.000 0.821 297 S CB 0.867 63.963 63.200 -0.173 0.000 1.099 297 S HN 0.624 nan 8.310 nan 0.000 0.471 298 L N 2.843 124.222 121.223 0.260 0.000 2.260 298 L HA 0.452 4.794 4.340 0.004 0.000 0.289 298 L C 1.393 178.315 176.870 0.086 0.000 1.057 298 L CA -0.098 54.868 54.840 0.210 0.000 0.811 298 L CB 1.577 43.787 42.059 0.252 0.000 1.184 298 L HN 1.010 nan 8.230 nan 0.000 0.429 299 S N 1.101 116.835 115.700 0.057 0.000 2.524 299 S HA 0.166 4.638 4.470 0.004 0.000 0.216 299 S C 0.338 174.948 174.600 0.016 0.000 0.987 299 S CA -0.091 58.167 58.200 0.096 0.000 0.909 299 S CB 0.382 63.689 63.200 0.179 0.000 0.781 299 S HN 0.689 nan 8.310 nan 0.000 0.521 300 E N -0.169 119.939 120.200 -0.152 0.000 2.393 300 E HA 0.531 4.883 4.350 0.004 0.000 0.278 300 E C -1.528 174.913 176.600 -0.266 0.000 1.171 300 E CA -0.527 55.729 56.400 -0.241 0.000 0.904 300 E CB 0.845 30.322 29.700 -0.371 0.000 1.309 300 E HN 0.451 nan 8.360 nan 0.000 0.423 301 M N 1.161 120.708 119.600 -0.088 0.000 2.773 301 M HA 0.709 5.191 4.480 0.004 0.000 0.270 301 M C -1.518 174.878 176.300 0.159 0.000 1.238 301 M CA -1.047 54.245 55.300 -0.013 0.000 0.832 301 M CB 2.058 34.489 32.600 -0.282 0.000 1.672 301 M HN 0.572 nan 8.290 nan 0.000 0.480 302 I N 1.299 121.913 120.570 0.073 0.000 2.743 302 I HA 0.547 4.720 4.170 0.004 0.000 0.292 302 I C -1.877 174.199 176.117 -0.068 0.000 1.343 302 I CA -0.774 60.550 61.300 0.041 0.000 1.038 302 I CB 2.431 40.463 38.000 0.053 0.000 1.311 302 I HN 0.622 nan 8.210 nan 0.000 0.426 303 V N 8.782 128.691 119.914 -0.010 0.000 2.225 303 V HA 0.345 4.467 4.120 0.004 0.000 0.264 303 V C -2.246 173.877 176.094 0.048 0.000 1.067 303 V CA -1.278 60.983 62.300 -0.067 0.000 0.903 303 V CB 0.784 32.594 31.823 -0.021 0.000 1.136 303 V HN 0.523 nan 8.190 nan 0.000 0.456 304 P HA 0.195 nan 4.420 nan 0.000 0.276 304 P C -0.913 176.381 177.300 -0.010 0.000 1.253 304 P CA -0.066 63.075 63.100 0.069 0.000 0.766 304 P CB 0.638 32.316 31.700 -0.036 0.000 0.845 305 Y N 1.495 121.864 120.300 0.115 0.000 2.307 305 Y HA 0.402 4.955 4.550 0.005 0.000 0.324 305 Y C 1.958 177.863 175.900 0.008 0.000 1.238 305 Y CA 0.485 58.652 58.100 0.112 0.000 1.280 305 Y CB 0.819 39.352 38.460 0.122 0.000 1.248 305 Y HN 0.466 nan 8.280 nan 0.000 0.508 306 G N 0.586 109.441 108.800 0.091 0.000 3.707 306 G HA2 0.067 4.029 3.960 0.004 0.000 0.286 306 G HA3 0.067 4.029 3.960 0.004 0.000 0.286 306 G C -0.188 174.627 174.900 -0.141 0.000 1.112 306 G CA -0.194 44.901 45.100 -0.009 0.000 0.861 306 G HN 0.442 nan 8.290 nan 0.000 0.534 307 S N 1.299 116.857 115.700 -0.238 0.000 2.438 307 S HA 0.455 4.928 4.470 0.004 0.000 0.293 307 S C -0.707 173.611 174.600 -0.469 0.000 1.141 307 S CA -1.452 56.451 58.200 -0.494 0.000 1.080 307 S CB 1.824 64.538 63.200 -0.811 0.000 0.978 307 S HN 0.102 nan 8.310 nan 0.000 0.479 308 P HA 0.014 nan 4.420 nan 0.000 0.229 308 P C -0.215 176.950 177.300 -0.225 0.000 1.160 308 P CA 0.365 63.197 63.100 -0.446 0.000 0.777 308 P CB 0.093 31.449 31.700 -0.573 0.000 0.814 309 E N 0.022 120.124 120.200 -0.163 0.000 2.384 309 E HA 0.123 4.475 4.350 0.004 0.000 0.266 309 E C -0.297 176.237 176.600 -0.110 0.000 1.012 309 E CA -0.661 55.718 56.400 -0.035 0.000 0.901 309 E CB 0.193 29.933 29.700 0.067 0.000 0.967 309 E HN 0.052 nan 8.360 nan 0.000 0.435 310 F N 5.338 125.156 119.950 -0.220 0.000 2.529 310 F HA 0.090 4.619 4.527 0.002 0.000 0.365 310 F C -1.347 174.167 175.800 -0.476 0.000 1.102 310 F CA -1.546 56.292 58.000 -0.270 0.000 1.271 310 F CB 0.856 39.763 39.000 -0.155 0.000 1.120 310 F HN 0.353 nan 8.300 nan 0.000 0.579 311 P HA 0.125 nan 4.420 nan 0.000 0.248 311 P C -0.118 176.726 177.300 -0.761 0.000 1.708 311 P CA 0.294 62.600 63.100 -1.323 0.000 1.062 311 P CB -0.415 30.602 31.700 -1.139 0.000 1.562 312 H N 0.233 119.067 119.070 -0.394 0.000 2.561 312 H HA -0.095 4.464 4.556 0.005 0.000 0.278 312 H C 1.532 176.751 175.328 -0.182 0.000 1.014 312 H CA 0.717 56.588 56.048 -0.295 0.000 1.211 312 H CB -0.141 29.447 29.762 -0.290 0.000 1.365 312 H HN 0.258 nan 8.280 nan 0.000 0.594 313 Q N 0.604 120.333 119.800 -0.118 0.000 2.291 313 Q HA -0.033 4.310 4.340 0.004 0.000 0.205 313 Q C 1.445 177.517 176.000 0.120 0.000 0.970 313 Q CA 0.767 56.554 55.803 -0.028 0.000 0.876 313 Q CB -0.025 28.674 28.738 -0.065 0.000 0.935 313 Q HN 0.376 nan 8.270 nan 0.000 0.455 314 R N 0.929 121.440 120.500 0.018 0.000 2.323 314 R HA 0.087 4.429 4.340 0.004 0.000 0.198 314 R C -0.068 176.312 176.300 0.133 0.000 0.988 314 R CA 0.278 56.435 56.100 0.096 0.000 1.041 314 R CB 0.114 30.373 30.300 -0.069 0.000 0.926 314 R HN 0.151 nan 8.270 nan 0.000 0.476 315 K N 1.944 122.459 120.400 0.192 0.000 2.290 315 K HA 0.083 4.406 4.320 0.004 0.000 0.250 315 K C -0.436 176.491 176.600 0.544 0.000 1.092 315 K CA -0.109 56.341 56.287 0.272 0.000 1.006 315 K CB 0.480 32.936 32.500 -0.073 0.000 1.549 315 K HN 0.288 nan 8.250 nan 0.000 0.436 316 H N 0.116 119.420 119.070 0.391 0.000 3.225 316 H HA 0.193 4.751 4.556 0.004 0.000 0.205 316 H C -0.850 174.599 175.328 0.201 0.000 1.314 316 H CA -0.691 55.512 56.048 0.257 0.000 1.336 316 H CB -0.702 29.129 29.762 0.116 0.000 2.276 316 H HN 0.341 nan 8.280 nan 0.000 0.535 317 A N 1.826 124.732 122.820 0.144 0.000 2.498 317 A HA 0.387 4.709 4.320 0.004 0.000 0.239 317 A C 0.115 177.695 177.584 -0.007 0.000 1.068 317 A CA -0.272 51.757 52.037 -0.014 0.000 0.766 317 A CB 0.263 19.203 19.000 -0.100 0.000 1.003 317 A HN 0.462 nan 8.150 nan 0.000 0.497 318 L N 3.140 124.321 121.223 -0.070 0.000 2.426 318 L HA 0.234 4.576 4.340 0.004 0.000 0.255 318 L C 0.596 177.391 176.870 -0.124 0.000 1.080 318 L CA -0.093 54.728 54.840 -0.031 0.000 0.960 318 L CB 0.805 42.882 42.059 0.030 0.000 1.326 318 L HN 0.751 nan 8.230 nan 0.000 0.441 319 D N 1.293 121.658 120.400 -0.059 0.000 2.149 319 D HA -0.233 4.409 4.640 0.004 0.000 0.194 319 D C 1.989 178.219 176.300 -0.116 0.000 1.001 319 D CA 1.733 55.751 54.000 0.030 0.000 0.849 319 D CB 0.373 41.226 40.800 0.089 0.000 0.939 319 D HN 0.496 nan 8.370 nan 0.000 0.449 320 I N 0.723 121.178 120.570 -0.192 0.000 2.202 320 I HA -0.139 4.033 4.170 0.004 0.000 0.242 320 I C 2.557 178.476 176.117 -0.330 0.000 1.091 320 I CA 1.346 62.470 61.300 -0.294 0.000 1.368 320 I CB -0.383 37.468 38.000 -0.249 0.000 1.058 320 I HN 0.003 nan 8.210 nan 0.000 0.410 321 G N -0.179 108.460 108.800 -0.268 0.000 2.511 321 G HA2 -0.104 3.858 3.960 0.004 0.000 0.217 321 G HA3 -0.104 3.858 3.960 0.004 0.000 0.217 321 G C 1.394 176.150 174.900 -0.241 0.000 1.133 321 G CA 0.201 45.130 45.100 -0.283 0.000 0.792 321 G HN 0.411 nan 8.290 nan 0.000 0.539 322 E N -1.517 118.497 120.200 -0.309 0.000 2.473 322 E HA 0.170 4.522 4.350 0.004 0.000 0.204 322 E C 0.733 177.010 176.600 -0.538 0.000 0.994 322 E CA 0.122 56.250 56.400 -0.454 0.000 0.945 322 E CB 0.437 29.744 29.700 -0.655 0.000 0.990 322 E HN 0.545 nan 8.360 nan 0.000 0.493 323 Y N -0.389 119.865 120.300 -0.076 0.000 2.731 323 Y HA 0.341 4.893 4.550 0.003 0.000 0.269 323 Y C 0.783 176.660 175.900 -0.037 0.000 1.156 323 Y CA 0.263 58.342 58.100 -0.036 0.000 1.191 323 Y CB 1.013 39.432 38.460 -0.068 0.000 1.382 323 Y HN -0.044 nan 8.280 nan 0.000 0.477 324 G N 0.753 109.500 108.800 -0.088 0.000 3.421 324 G HA2 0.166 4.129 3.960 0.004 0.000 0.686 324 G HA3 0.166 4.129 3.960 0.004 0.000 0.686 324 G C 0.579 175.206 174.900 -0.455 0.000 1.056 324 G CA -0.266 44.631 45.100 -0.340 0.000 0.891 324 G HN 0.655 nan 8.290 nan 0.000 0.514 325 A N 1.231 123.642 122.820 -0.682 0.000 2.121 325 A HA 0.362 4.684 4.320 0.004 0.000 0.218 325 A C 2.510 179.845 177.584 -0.416 0.000 1.154 325 A CA 2.388 53.856 52.037 -0.948 0.000 0.679 325 A CB -0.283 18.218 19.000 -0.832 0.000 0.795 325 A HN 2.123 nan 8.150 nan 0.000 0.458 326 G N -1.483 107.081 108.800 -0.393 0.000 2.439 326 G HA2 -0.054 3.909 3.960 0.004 0.000 0.212 326 G HA3 -0.054 3.909 3.960 0.004 0.000 0.212 326 G C 1.359 176.355 174.900 0.161 0.000 1.199 326 G CA 0.766 45.811 45.100 -0.091 0.000 0.807 326 G HN 0.406 nan 8.290 nan 0.000 0.537 327 Y N 0.790 120.923 120.300 -0.279 0.000 2.241 327 Y HA 0.011 4.563 4.550 0.004 0.000 0.286 327 Y C 2.790 178.717 175.900 0.044 0.000 1.166 327 Y CA 0.737 58.699 58.100 -0.230 0.000 1.203 327 Y CB -0.309 38.020 38.460 -0.219 0.000 0.977 327 Y HN 0.145 nan 8.280 nan 0.000 0.529 328 M N -1.279 118.436 119.600 0.191 0.000 2.495 328 M HA 0.036 4.518 4.480 0.004 0.000 0.237 328 M C 0.752 177.241 176.300 0.315 0.000 1.131 328 M CA 0.143 55.571 55.300 0.214 0.000 1.032 328 M CB 0.012 32.723 32.600 0.185 0.000 1.513 328 M HN -0.154 nan 8.290 nan 0.000 0.488 329 T N 2.147 116.914 114.554 0.356 0.000 2.940 329 T HA 0.076 4.428 4.350 0.004 0.000 0.309 329 T C 0.185 175.058 174.700 0.288 0.000 1.056 329 T CA -0.012 62.326 62.100 0.396 0.000 1.137 329 T CB 0.247 69.411 68.868 0.492 0.000 0.976 329 T HN 0.216 nan 8.240 nan 0.000 0.547 330 N N 5.032 123.876 118.700 0.239 0.000 2.529 330 N HA 0.318 5.060 4.740 0.004 0.000 0.278 330 N C -2.633 172.941 175.510 0.106 0.000 1.146 330 N CA -1.731 51.413 53.050 0.156 0.000 0.980 330 N CB 0.838 39.401 38.487 0.126 0.000 1.124 330 N HN 0.347 nan 8.380 nan 0.000 0.458 331 P HA 0.134 nan 4.420 nan 0.000 0.280 331 P C 0.386 177.686 177.300 0.001 0.000 1.300 331 P CA -0.336 62.767 63.100 0.005 0.000 0.785 331 P CB 0.586 32.280 31.700 -0.010 0.000 0.874 332 L N 2.571 123.798 121.223 0.007 0.000 2.376 332 L HA -0.087 4.255 4.340 0.004 0.000 0.219 332 L C 2.242 179.126 176.870 0.024 0.000 1.133 332 L CA 1.359 56.236 54.840 0.061 0.000 0.816 332 L CB -1.574 40.596 42.059 0.186 0.000 0.933 332 L HN 0.328 nan 8.230 nan 0.000 0.449 333 S N -0.241 115.369 115.700 -0.149 0.000 2.444 333 S HA -0.244 4.228 4.470 0.004 0.000 0.225 333 S C 2.056 176.637 174.600 -0.032 0.000 1.042 333 S CA 1.776 59.868 58.200 -0.180 0.000 1.132 333 S CB -0.388 62.650 63.200 -0.270 0.000 1.099 333 S HN 0.336 nan 8.310 nan 0.000 0.417 334 L N 0.873 122.077 121.223 -0.032 0.000 1.963 334 L HA -0.160 4.183 4.340 0.004 0.000 0.220 334 L C 2.797 179.679 176.870 0.020 0.000 1.076 334 L CA 1.602 56.441 54.840 -0.001 0.000 0.772 334 L CB -1.352 40.709 42.059 0.002 0.000 0.892 334 L HN 0.623 nan 8.230 nan 0.000 0.435 335 G N -1.161 107.656 108.800 0.027 0.000 2.605 335 G HA2 -0.313 3.649 3.960 0.004 0.000 0.222 335 G HA3 -0.313 3.649 3.960 0.004 0.000 0.222 335 G C 0.859 175.777 174.900 0.030 0.000 1.092 335 G CA 0.810 45.928 45.100 0.031 0.000 0.730 335 G HN 0.726 nan 8.290 nan 0.000 0.588 336 C N -0.640 118.683 119.300 0.038 0.000 4.533 336 C HA -0.148 4.315 4.460 0.004 0.000 0.304 336 C C 1.100 176.109 174.990 0.033 0.000 1.316 336 C CA 0.078 59.116 59.018 0.033 0.000 2.053 336 C CB -2.632 25.120 27.740 0.019 0.000 1.242 336 C HN 0.646 nan 8.230 nan 0.000 0.758 337 D N -0.564 119.868 120.400 0.055 0.000 2.213 337 D HA 0.128 4.770 4.640 0.004 0.000 0.205 337 D C 0.665 177.001 176.300 0.060 0.000 0.961 337 D CA 0.904 54.945 54.000 0.068 0.000 0.853 337 D CB 0.134 40.986 40.800 0.086 0.000 0.967 337 D HN 0.677 nan 8.370 nan 0.000 0.496 338 c N 1.796 120.415 118.600 0.031 0.000 2.291 338 c HA 0.416 4.989 4.570 0.004 0.000 0.322 338 c C 0.031 174.024 174.090 -0.162 0.000 1.205 338 c CA -1.428 54.837 56.329 -0.107 0.000 1.495 338 c CB 0.042 42.514 42.510 -0.063 0.000 2.127 338 c HN 0.081 nan 8.230 nan 0.000 0.452 339 K N 2.285 122.540 120.400 -0.241 0.000 2.227 339 K HA 0.626 4.949 4.320 0.004 0.000 0.280 339 K C 0.673 177.176 176.600 -0.162 0.000 1.041 339 K CA 0.778 56.976 56.287 -0.148 0.000 0.905 339 K CB 0.962 33.411 32.500 -0.086 0.000 1.068 339 K HN 1.076 nan 8.250 nan 0.000 0.470 340 G N 0.816 109.575 108.800 -0.069 0.000 2.342 340 G HA2 -0.194 3.768 3.960 0.004 0.000 0.220 340 G HA3 -0.194 3.768 3.960 0.004 0.000 0.220 340 G C -1.224 173.677 174.900 0.002 0.000 1.243 340 G CA -0.852 44.238 45.100 -0.018 0.000 1.083 340 G HN 0.384 nan 8.290 nan 0.000 0.500 341 V N 2.394 122.332 119.914 0.040 0.000 2.338 341 V HA 0.369 4.491 4.120 0.004 0.000 0.255 341 V C 0.593 176.740 176.094 0.088 0.000 1.082 341 V CA -0.418 61.910 62.300 0.047 0.000 0.951 341 V CB 0.226 32.069 31.823 0.032 0.000 1.102 341 V HN 0.532 nan 8.190 nan 0.000 0.489 342 I N 3.908 124.483 120.570 0.008 0.000 2.577 342 I HA 0.420 4.592 4.170 0.004 0.000 0.300 342 I C 0.172 176.235 176.117 -0.090 0.000 0.990 342 I CA -0.313 60.925 61.300 -0.104 0.000 1.283 342 I CB 1.040 38.762 38.000 -0.464 0.000 1.411 342 I HN 0.518 nan 8.210 nan 0.000 0.515 343 H N 5.171 124.131 119.070 -0.182 0.000 2.589 343 H HA 0.406 4.964 4.556 0.004 0.000 0.335 343 H C -1.608 173.575 175.328 -0.241 0.000 1.019 343 H CA -0.325 55.677 56.048 -0.078 0.000 1.213 343 H CB 1.070 30.905 29.762 0.122 0.000 1.472 343 H HN 0.367 nan 8.280 nan 0.000 0.508 344 Y N 3.504 123.764 120.300 -0.067 0.000 2.488 344 Y HA 0.447 5.000 4.550 0.004 0.000 0.325 344 Y C 0.046 175.941 175.900 -0.009 0.000 1.204 344 Y CA -0.759 57.334 58.100 -0.012 0.000 1.229 344 Y CB 1.682 40.104 38.460 -0.063 0.000 1.274 344 Y HN 0.400 nan 8.280 nan 0.000 0.493 345 L N 2.104 123.414 121.223 0.145 0.000 2.408 345 L HA 0.417 4.760 4.340 0.004 0.000 0.268 345 L C -1.181 175.610 176.870 -0.133 0.000 0.986 345 L CA -0.953 53.887 54.840 0.000 0.000 0.820 345 L CB 2.009 44.039 42.059 -0.049 0.000 1.303 345 L HN 0.586 nan 8.230 nan 0.000 0.411 346 D N 1.431 121.715 120.400 -0.194 0.000 2.340 346 D HA 0.673 5.315 4.640 0.004 0.000 0.251 346 D C -0.317 175.632 176.300 -0.586 0.000 1.080 346 D CA -0.150 53.642 54.000 -0.347 0.000 0.971 346 D CB 2.157 42.774 40.800 -0.305 0.000 1.137 346 D HN 0.560 nan 8.370 nan 0.000 0.475 347 A N 0.830 123.214 122.820 -0.727 0.000 2.365 347 A HA 0.588 4.910 4.320 0.004 0.000 0.318 347 A C -1.074 175.873 177.584 -1.061 0.000 1.091 347 A CA -0.662 50.888 52.037 -0.812 0.000 0.763 347 A CB 1.104 19.700 19.000 -0.674 0.000 1.248 347 A HN 0.546 nan 8.150 nan 0.000 0.442 348 H N 1.321 120.093 119.070 -0.496 0.000 2.609 348 H HA 0.653 5.211 4.556 0.004 0.000 0.344 348 H C -1.344 173.795 175.328 -0.314 0.000 1.040 348 H CA -0.229 55.588 56.048 -0.385 0.000 1.216 348 H CB 1.192 30.880 29.762 -0.124 0.000 1.529 348 H HN 0.534 nan 8.280 nan 0.000 0.519 349 F N -0.092 120.025 119.950 0.279 0.000 2.814 349 F HA 0.503 5.032 4.527 0.004 0.000 0.353 349 F C 0.693 176.602 175.800 0.182 0.000 1.177 349 F CA -1.116 57.044 58.000 0.266 0.000 1.036 349 F CB 0.850 40.108 39.000 0.429 0.000 1.455 349 F HN 0.314 nan 8.300 nan 0.000 0.520 350 S N -0.379 115.565 115.700 0.406 0.000 2.536 350 S HA 0.600 5.072 4.470 0.004 0.000 0.298 350 S C -1.378 173.333 174.600 0.185 0.000 1.083 350 S CA -0.724 57.592 58.200 0.193 0.000 0.995 350 S CB 0.877 64.122 63.200 0.075 0.000 1.058 350 S HN 0.600 nan 8.310 nan 0.000 0.488 351 D N 1.890 122.357 120.400 0.113 0.000 2.478 351 D HA 0.327 4.970 4.640 0.004 0.000 0.263 351 D C 1.164 177.536 176.300 0.120 0.000 1.153 351 D CA -0.762 53.294 54.000 0.093 0.000 1.038 351 D CB 0.284 41.127 40.800 0.072 0.000 1.120 351 D HN 0.500 nan 8.370 nan 0.000 0.564 352 R N -0.569 119.992 120.500 0.101 0.000 2.117 352 R HA -0.161 4.181 4.340 0.004 0.000 0.243 352 R C 1.652 178.082 176.300 0.217 0.000 1.143 352 R CA 1.573 57.753 56.100 0.133 0.000 0.968 352 R CB -0.563 29.775 30.300 0.065 0.000 0.863 352 R HN 0.594 nan 8.270 nan 0.000 0.444 353 A N -0.714 122.200 122.820 0.157 0.000 2.238 353 A HA 0.174 4.496 4.320 0.004 0.000 0.208 353 A C 1.268 178.938 177.584 0.142 0.000 1.177 353 A CA 0.881 53.015 52.037 0.163 0.000 0.804 353 A CB -0.028 19.021 19.000 0.083 0.000 0.823 353 A HN 0.557 nan 8.150 nan 0.000 0.482 354 G N -0.655 108.167 108.800 0.035 0.000 2.141 354 G HA2 -0.181 3.781 3.960 0.004 0.000 0.242 354 G HA3 -0.181 3.781 3.960 0.004 0.000 0.242 354 G C -0.421 174.337 174.900 -0.237 0.000 0.982 354 G CA 0.167 45.015 45.100 -0.421 0.000 0.662 354 G HN 0.486 nan 8.290 nan 0.000 0.527 355 D N 1.503 121.854 120.400 -0.081 0.000 2.175 355 D HA 0.451 5.094 4.640 0.004 0.000 0.248 355 D C -2.081 174.212 176.300 -0.012 0.000 1.047 355 D CA -1.181 52.792 54.000 -0.046 0.000 0.883 355 D CB 1.897 42.691 40.800 -0.009 0.000 1.180 355 D HN 0.150 nan 8.370 nan 0.000 0.438 356 P HA 0.176 nan 4.420 nan 0.000 0.271 356 P C -0.338 177.000 177.300 0.064 0.000 1.216 356 P CA -0.188 62.928 63.100 0.027 0.000 0.776 356 P CB 0.781 32.468 31.700 -0.021 0.000 0.881 357 I N -0.947 119.697 120.570 0.123 0.000 2.646 357 I HA 0.615 4.787 4.170 0.004 0.000 0.299 357 I C -0.708 175.475 176.117 0.110 0.000 1.036 357 I CA -0.791 60.585 61.300 0.127 0.000 1.074 357 I CB 2.408 40.514 38.000 0.177 0.000 1.258 357 I HN 0.066 nan 8.210 nan 0.000 0.430 358 T N 4.455 119.058 114.554 0.081 0.000 2.824 358 T HA 0.425 4.777 4.350 0.004 0.000 0.282 358 T C -0.677 173.990 174.700 -0.055 0.000 0.993 358 T CA -0.553 61.556 62.100 0.017 0.000 0.967 358 T CB 2.067 71.006 68.868 0.117 0.000 0.960 358 T HN 0.593 nan 8.240 nan 0.000 0.441 359 V N 4.520 124.329 119.914 -0.174 0.000 2.357 359 V HA 0.526 4.648 4.120 0.004 0.000 0.284 359 V C -0.369 175.622 176.094 -0.171 0.000 1.018 359 V CA -0.810 61.435 62.300 -0.091 0.000 0.841 359 V CB 0.796 32.635 31.823 0.026 0.000 0.991 359 V HN 0.631 nan 8.190 nan 0.000 0.437 360 K N 4.644 124.971 120.400 -0.121 0.000 2.295 360 K HA 0.256 4.579 4.320 0.004 0.000 0.270 360 K C 0.568 177.067 176.600 -0.169 0.000 1.011 360 K CA 0.392 56.589 56.287 -0.149 0.000 0.953 360 K CB 0.166 32.592 32.500 -0.124 0.000 0.956 360 K HN 0.949 nan 8.250 nan 0.000 0.477 361 N N 0.531 119.114 118.700 -0.194 0.000 2.705 361 N HA -0.270 4.472 4.740 0.004 0.000 0.255 361 N C 0.420 175.892 175.510 -0.063 0.000 1.008 361 N CA 0.332 53.278 53.050 -0.174 0.000 0.742 361 N CB -0.662 37.513 38.487 -0.520 0.000 0.906 361 N HN 0.720 nan 8.380 nan 0.000 0.541 362 A N -0.568 122.166 122.820 -0.142 0.000 1.970 362 A HA 0.169 4.491 4.320 0.004 0.000 0.216 362 A C 0.873 178.391 177.584 -0.111 0.000 1.170 362 A CA 1.055 52.983 52.037 -0.183 0.000 0.645 362 A CB 0.674 19.375 19.000 -0.500 0.000 0.816 362 A HN 0.187 nan 8.150 nan 0.000 0.447 363 V N -0.270 119.593 119.914 -0.085 0.000 2.656 363 V HA 0.430 4.552 4.120 0.004 0.000 0.307 363 V C -0.296 175.869 176.094 0.118 0.000 1.051 363 V CA -0.765 61.547 62.300 0.020 0.000 0.893 363 V CB 1.158 32.957 31.823 -0.039 0.000 0.999 363 V HN 0.572 nan 8.190 nan 0.000 0.426 364 c N 4.997 123.662 118.600 0.108 0.000 2.507 364 c HA 0.894 5.467 4.570 0.004 0.000 0.319 364 c C -0.669 173.425 174.090 0.007 0.000 1.208 364 c CA -0.742 55.584 56.329 -0.004 0.000 1.619 364 c CB 0.333 42.821 42.510 -0.037 0.000 2.230 364 c HN 0.783 nan 8.230 nan 0.000 0.492 365 I N 5.632 126.161 120.570 -0.068 0.000 2.466 365 I HA 0.614 4.786 4.170 0.004 0.000 0.289 365 I C -0.193 175.887 176.117 -0.060 0.000 1.026 365 I CA -0.077 61.129 61.300 -0.156 0.000 1.078 365 I CB 1.609 39.394 38.000 -0.359 0.000 1.249 365 I HN 0.976 nan 8.210 nan 0.000 0.429 366 H N 4.467 123.417 119.070 -0.199 0.000 2.981 366 H HA 0.519 5.078 4.556 0.004 0.000 0.327 366 H C -1.989 173.327 175.328 -0.019 0.000 1.342 366 H CA -1.012 55.048 56.048 0.020 0.000 1.123 366 H CB 1.717 31.500 29.762 0.035 0.000 1.851 366 H HN 0.641 nan 8.280 nan 0.000 0.531 367 E N 1.052 121.329 120.200 0.129 0.000 2.256 367 E HA 0.541 4.894 4.350 0.004 0.000 0.267 367 E C -1.089 175.590 176.600 0.132 0.000 0.892 367 E CA -0.906 55.490 56.400 -0.006 0.000 0.775 367 E CB 3.063 32.874 29.700 0.185 0.000 1.207 367 E HN 0.762 nan 8.360 nan 0.000 0.420 368 E N 1.517 121.763 120.200 0.076 0.000 2.433 368 E HA 0.284 4.636 4.350 0.004 0.000 0.278 368 E C -1.429 175.231 176.600 0.100 0.000 0.976 368 E CA -1.033 55.441 56.400 0.123 0.000 0.793 368 E CB 1.384 31.174 29.700 0.150 0.000 1.311 368 E HN 0.486 nan 8.360 nan 0.000 0.460 369 D N -0.031 120.421 120.400 0.087 0.000 2.423 369 D HA 0.060 4.702 4.640 0.004 0.000 0.238 369 D C -0.611 175.720 176.300 0.051 0.000 1.142 369 D CA 0.402 54.444 54.000 0.070 0.000 0.884 369 D CB 0.808 41.637 40.800 0.049 0.000 1.199 369 D HN 0.504 nan 8.370 nan 0.000 0.438 370 D N 2.061 122.490 120.400 0.049 0.000 2.908 370 D HA 0.312 4.955 4.640 0.004 0.000 0.361 370 D C 0.487 176.797 176.300 0.017 0.000 1.416 370 D CA 0.527 54.547 54.000 0.032 0.000 0.796 370 D CB -0.115 40.716 40.800 0.051 0.000 1.185 370 D HN 0.659 nan 8.370 nan 0.000 0.451 371 G N 0.357 109.161 108.800 0.007 0.000 2.539 371 G HA2 -0.266 3.696 3.960 0.004 0.000 0.256 371 G HA3 -0.266 3.696 3.960 0.004 0.000 0.256 371 G C -0.317 174.570 174.900 -0.021 0.000 1.233 371 G CA -0.053 45.043 45.100 -0.006 0.000 0.936 371 G HN 0.333 nan 8.290 nan 0.000 0.571 372 L N 0.483 121.689 121.223 -0.028 0.000 2.350 372 L HA 0.475 4.817 4.340 0.004 0.000 0.275 372 L C 1.600 178.426 176.870 -0.074 0.000 1.099 372 L CA -0.793 54.012 54.840 -0.058 0.000 0.808 372 L CB 1.290 43.329 42.059 -0.033 0.000 1.149 372 L HN 0.548 nan 8.230 nan 0.000 0.442 373 L N 3.720 124.823 121.223 -0.200 0.000 2.168 373 L HA 0.277 4.620 4.340 0.004 0.000 0.203 373 L C -0.168 176.640 176.870 -0.103 0.000 1.078 373 L CA 1.313 56.015 54.840 -0.229 0.000 0.780 373 L CB 0.177 41.931 42.059 -0.509 0.000 0.939 373 L HN 0.592 nan 8.230 nan 0.000 0.451 374 F N -2.628 117.343 119.950 0.035 0.000 2.769 374 F HA 0.561 5.091 4.527 0.004 0.000 0.313 374 F C -0.807 175.021 175.800 0.047 0.000 1.146 374 F CA -1.747 56.274 58.000 0.036 0.000 0.934 374 F CB 0.460 39.478 39.000 0.030 0.000 1.283 374 F HN -0.161 nan 8.300 nan 0.000 0.443 375 K N 0.769 121.378 120.400 0.350 0.000 2.575 375 K HA 0.650 4.972 4.320 0.004 0.000 0.279 375 K C -2.526 174.229 176.600 0.258 0.000 0.969 375 K CA -0.895 55.543 56.287 0.252 0.000 0.868 375 K CB 2.454 35.024 32.500 0.116 0.000 1.457 375 K HN 1.135 nan 8.250 nan 0.000 0.426 376 H N -0.139 118.996 119.070 0.108 0.000 3.151 376 H HA 0.436 4.994 4.556 0.004 0.000 0.333 376 H C -2.047 173.335 175.328 0.089 0.000 1.093 376 H CA -0.266 55.829 56.048 0.078 0.000 1.342 376 H CB 1.826 31.631 29.762 0.071 0.000 1.983 376 H HN 0.523 nan 8.280 nan 0.000 0.503 377 S N 3.189 118.478 115.700 -0.684 0.000 2.548 377 S HA 0.245 4.717 4.470 0.004 0.000 0.286 377 S C -1.303 173.102 174.600 -0.325 0.000 1.098 377 S CA -0.905 57.093 58.200 -0.336 0.000 0.930 377 S CB 1.711 64.857 63.200 -0.090 0.000 1.070 377 S HN 0.658 nan 8.310 nan 0.000 0.480 378 D N 1.673 122.040 120.400 -0.054 0.000 2.313 378 D HA 0.221 4.863 4.640 0.004 0.000 0.239 378 D C 0.918 177.211 176.300 -0.012 0.000 1.142 378 D CA -0.822 53.154 54.000 -0.039 0.000 0.847 378 D CB 0.531 41.270 40.800 -0.102 0.000 1.082 378 D HN 0.443 nan 8.370 nan 0.000 0.480 379 F N 3.878 123.870 119.950 0.069 0.000 2.269 379 F HA -0.021 4.508 4.527 0.004 0.000 0.301 379 F C 1.870 177.524 175.800 -0.242 0.000 1.082 379 F CA 0.479 58.336 58.000 -0.239 0.000 1.360 379 F CB -0.412 38.538 39.000 -0.084 0.000 1.041 379 F HN 0.225 nan 8.300 nan 0.000 0.512 380 R N 1.019 120.947 120.500 -0.954 0.000 2.119 380 R HA -0.190 4.153 4.340 0.004 0.000 0.246 380 R C 0.576 176.717 176.300 -0.265 0.000 1.146 380 R CA 1.830 57.571 56.100 -0.599 0.000 0.962 380 R CB -0.896 29.051 30.300 -0.589 0.000 0.863 380 R HN 0.568 nan 8.270 nan 0.000 0.442 381 D N -1.321 118.946 120.400 -0.222 0.000 2.755 381 D HA 0.030 4.672 4.640 0.004 0.000 0.257 381 D C -0.387 175.826 176.300 -0.144 0.000 1.291 381 D CA -0.447 53.472 54.000 -0.135 0.000 0.836 381 D CB -0.327 40.423 40.800 -0.084 0.000 1.059 381 D HN -0.017 nan 8.370 nan 0.000 0.486 382 N N 0.927 119.468 118.700 -0.264 0.000 2.740 382 N HA -0.258 4.484 4.740 0.004 0.000 0.248 382 N C -0.649 174.657 175.510 -0.340 0.000 1.062 382 N CA 0.674 53.468 53.050 -0.426 0.000 0.704 382 N CB -0.928 37.435 38.487 -0.207 0.000 0.968 382 N HN 0.331 nan 8.380 nan 0.000 0.547 383 F N -4.405 115.548 119.950 0.006 0.000 2.840 383 F HA -0.328 4.202 4.527 0.004 0.000 0.310 383 F C 1.664 177.470 175.800 0.009 0.000 0.688 383 F CA 0.802 58.798 58.000 -0.007 0.000 1.286 383 F CB -2.164 36.837 39.000 0.003 0.000 1.612 383 F HN 0.287 nan 8.300 nan 0.000 0.335 384 A N -1.125 121.772 122.820 0.128 0.000 1.969 384 A HA 0.015 4.337 4.320 0.004 0.000 0.218 384 A C 1.430 179.088 177.584 0.124 0.000 1.169 384 A CA 1.841 53.948 52.037 0.117 0.000 0.635 384 A CB -0.394 18.640 19.000 0.058 0.000 0.810 384 A HN 0.342 nan 8.150 nan 0.000 0.445 385 T N 0.826 115.427 114.554 0.079 0.000 2.761 385 T HA 0.475 4.827 4.350 0.004 0.000 0.296 385 T C -0.300 174.451 174.700 0.085 0.000 0.934 385 T CA 0.523 62.657 62.100 0.056 0.000 1.091 385 T CB 0.463 69.337 68.868 0.010 0.000 0.896 385 T HN 0.323 nan 8.240 nan 0.000 0.515 386 S N 3.352 119.116 115.700 0.107 0.000 2.558 386 S HA 0.655 5.128 4.470 0.004 0.000 0.277 386 S C -2.007 172.682 174.600 0.147 0.000 1.143 386 S CA -0.882 57.397 58.200 0.131 0.000 0.865 386 S CB 1.011 64.334 63.200 0.204 0.000 1.102 386 S HN 0.685 nan 8.310 nan 0.000 0.454 387 L N 3.924 125.241 121.223 0.157 0.000 2.436 387 L HA 0.896 5.239 4.340 0.004 0.000 0.268 387 L C -1.828 175.168 176.870 0.209 0.000 0.974 387 L CA -0.522 54.418 54.840 0.168 0.000 0.826 387 L CB 1.801 43.954 42.059 0.156 0.000 1.291 387 L HN 0.563 nan 8.230 nan 0.000 0.406 388 V N 2.898 122.929 119.914 0.195 0.000 2.623 388 V HA 0.568 4.690 4.120 0.004 0.000 0.304 388 V C -0.492 175.626 176.094 0.040 0.000 1.054 388 V CA -0.392 61.986 62.300 0.130 0.000 0.882 388 V CB 2.091 33.984 31.823 0.116 0.000 1.002 388 V HN 0.789 nan 8.190 nan 0.000 0.424 389 T N 4.907 119.379 114.554 -0.136 0.000 2.840 389 T HA 0.481 4.833 4.350 0.004 0.000 0.287 389 T C -0.116 174.384 174.700 -0.332 0.000 0.991 389 T CA -0.647 61.276 62.100 -0.296 0.000 0.964 389 T CB 1.182 69.687 68.868 -0.605 0.000 0.954 389 T HN 0.537 nan 8.240 nan 0.000 0.438 390 R N 1.484 121.880 120.500 -0.173 0.000 2.582 390 R HA 0.686 5.028 4.340 0.004 0.000 0.271 390 R C 0.071 176.299 176.300 -0.119 0.000 1.078 390 R CA -0.569 55.460 56.100 -0.119 0.000 1.127 390 R CB 0.786 31.058 30.300 -0.046 0.000 1.038 390 R HN 0.664 nan 8.270 nan 0.000 0.500 391 A N 1.096 123.877 122.820 -0.066 0.000 2.312 391 A HA 0.461 4.783 4.320 0.004 0.000 0.328 391 A C -0.225 177.406 177.584 0.079 0.000 1.158 391 A CA -0.392 51.643 52.037 -0.004 0.000 0.821 391 A CB 1.636 20.643 19.000 0.012 0.000 1.170 391 A HN 0.613 nan 8.150 nan 0.000 0.490 392 T N 0.736 115.394 114.554 0.174 0.000 2.893 392 T HA 0.617 4.970 4.350 0.004 0.000 0.293 392 T C -0.817 174.151 174.700 0.446 0.000 1.027 392 T CA -0.721 61.538 62.100 0.266 0.000 0.988 392 T CB 0.796 69.838 68.868 0.290 0.000 1.043 392 T HN 0.877 nan 8.240 nan 0.000 0.461 393 K N 3.869 124.433 120.400 0.273 0.000 2.318 393 K HA 0.662 4.984 4.320 0.004 0.000 0.249 393 K C -1.096 175.311 176.600 -0.322 0.000 0.942 393 K CA -1.203 55.152 56.287 0.114 0.000 0.808 393 K CB 1.887 34.410 32.500 0.038 0.000 1.189 393 K HN 0.462 nan 8.250 nan 0.000 0.428 394 L N 3.598 124.314 121.223 -0.845 0.000 2.264 394 L HA 0.388 4.730 4.340 0.004 0.000 0.289 394 L C -1.260 175.335 176.870 -0.458 0.000 1.044 394 L CA -0.781 53.441 54.840 -1.031 0.000 0.807 394 L CB 1.529 42.548 42.059 -1.733 0.000 1.192 394 L HN 0.579 nan 8.230 nan 0.000 0.425 395 V N 5.871 125.499 119.914 -0.478 0.000 2.448 395 V HA 0.424 4.547 4.120 0.004 0.000 0.295 395 V C -0.151 175.841 176.094 -0.170 0.000 1.025 395 V CA -0.638 61.494 62.300 -0.280 0.000 0.859 395 V CB 2.099 33.685 31.823 -0.395 0.000 0.988 395 V HN 0.492 nan 8.190 nan 0.000 0.431 396 V N 4.633 124.585 119.914 0.063 0.000 2.407 396 V HA 0.759 4.881 4.120 0.004 0.000 0.291 396 V C 0.023 176.260 176.094 0.238 0.000 1.018 396 V CA -0.155 62.218 62.300 0.121 0.000 0.842 396 V CB 1.617 33.549 31.823 0.181 0.000 0.996 396 V HN 1.047 nan 8.190 nan 0.000 0.426 397 S N 4.281 120.085 115.700 0.172 0.000 2.685 397 S HA 0.941 5.413 4.470 0.004 0.000 0.282 397 S C -1.120 173.539 174.600 0.100 0.000 1.159 397 S CA -0.831 57.430 58.200 0.103 0.000 0.833 397 S CB 2.601 65.756 63.200 -0.074 0.000 1.151 397 S HN 0.862 nan 8.310 nan 0.000 0.485 398 Q N -0.248 119.572 119.800 0.033 0.000 2.575 398 Q HA 0.747 5.089 4.340 0.004 0.000 0.290 398 Q C -1.861 174.164 176.000 0.041 0.000 0.963 398 Q CA -1.111 54.766 55.803 0.122 0.000 0.783 398 Q CB 1.431 30.360 28.738 0.319 0.000 1.467 398 Q HN 0.751 nan 8.270 nan 0.000 0.402 399 I N 2.268 122.907 120.570 0.115 0.000 2.499 399 I HA 0.547 4.719 4.170 0.004 0.000 0.288 399 I C -1.190 175.061 176.117 0.223 0.000 1.048 399 I CA -0.922 60.420 61.300 0.070 0.000 1.062 399 I CB 1.447 39.459 38.000 0.020 0.000 1.238 399 I HN 0.698 nan 8.210 nan 0.000 0.426 400 F N 2.919 122.958 119.950 0.148 0.000 2.577 400 F HA 0.802 5.331 4.527 0.004 0.000 0.318 400 F C -0.665 175.249 175.800 0.190 0.000 1.065 400 F CA -0.800 57.301 58.000 0.168 0.000 0.929 400 F CB 1.615 40.715 39.000 0.168 0.000 1.237 400 F HN 0.156 nan 8.300 nan 0.000 0.468 401 T N 2.286 117.095 114.554 0.425 0.000 2.779 401 T HA 0.683 5.036 4.350 0.004 0.000 0.280 401 T C -0.424 174.479 174.700 0.337 0.000 0.987 401 T CA -0.437 61.830 62.100 0.278 0.000 0.966 401 T CB 1.236 70.208 68.868 0.173 0.000 0.933 401 T HN 0.915 nan 8.240 nan 0.000 0.442 402 A N 2.811 125.823 122.820 0.319 0.000 2.801 402 A HA 0.755 5.078 4.320 0.004 0.000 0.344 402 A C 1.213 178.812 177.584 0.026 0.000 1.322 402 A CA 0.054 52.186 52.037 0.158 0.000 0.913 402 A CB -0.998 18.188 19.000 0.310 0.000 1.140 402 A HN 1.469 nan 8.150 nan 0.000 0.487 403 A N 2.173 124.978 122.820 -0.025 0.000 4.974 403 A HA -0.384 3.938 4.320 0.004 0.000 0.339 403 A C 1.993 179.617 177.584 0.068 0.000 1.785 403 A CA 2.080 54.134 52.037 0.028 0.000 0.707 403 A CB -1.773 17.237 19.000 0.018 0.000 1.430 403 A HN 1.335 nan 8.150 nan 0.000 0.398 404 N N -1.054 117.657 118.700 0.020 0.000 2.216 404 N HA -0.004 4.738 4.740 0.004 0.000 0.183 404 N C 0.754 176.112 175.510 -0.253 0.000 1.017 404 N CA 1.665 54.561 53.050 -0.256 0.000 0.861 404 N CB -0.251 37.910 38.487 -0.544 0.000 0.986 404 N HN 0.663 nan 8.380 nan 0.000 0.428 405 Y N 1.222 121.498 120.300 -0.041 0.000 2.354 405 Y HA 0.336 4.888 4.550 0.004 0.000 0.322 405 Y C 0.431 176.256 175.900 -0.125 0.000 1.253 405 Y CA -0.780 57.259 58.100 -0.102 0.000 1.272 405 Y CB 0.955 39.377 38.460 -0.064 0.000 1.255 405 Y HN -0.024 nan 8.280 nan 0.000 0.500 406 E N 2.020 122.187 120.200 -0.055 0.000 2.234 406 E HA 0.258 4.611 4.350 0.004 0.000 0.266 406 E C -1.801 174.537 176.600 -0.437 0.000 0.877 406 E CA -0.748 55.558 56.400 -0.156 0.000 0.758 406 E CB 1.930 31.566 29.700 -0.107 0.000 1.170 406 E HN 0.490 nan 8.360 nan 0.000 0.415 407 Y N 0.371 120.362 120.300 -0.515 0.000 2.328 407 Y HA 0.264 4.816 4.550 0.004 0.000 0.337 407 Y C -0.081 175.559 175.900 -0.434 0.000 0.966 407 Y CA -0.784 56.985 58.100 -0.552 0.000 1.136 407 Y CB 1.346 39.276 38.460 -0.883 0.000 1.170 407 Y HN 0.438 nan 8.280 nan 0.000 0.470 408 C N 5.727 124.926 119.300 -0.169 0.000 2.255 408 C HA 0.585 5.048 4.460 0.004 0.000 0.326 408 C C -0.071 174.715 174.990 -0.340 0.000 1.258 408 C CA -1.204 57.673 59.018 -0.234 0.000 1.676 408 C CB -1.068 26.630 27.740 -0.070 0.000 2.314 408 C HN 0.627 nan 8.230 nan 0.000 0.509 409 L N 3.958 124.913 121.223 -0.447 0.000 2.287 409 L HA 0.491 4.834 4.340 0.004 0.000 0.287 409 L C -1.084 175.423 176.870 -0.605 0.000 1.022 409 L CA -0.413 54.188 54.840 -0.398 0.000 0.814 409 L CB 0.578 42.562 42.059 -0.126 0.000 1.217 409 L HN 0.619 nan 8.230 nan 0.000 0.420 410 Y N 0.973 121.110 120.300 -0.271 0.000 2.338 410 Y HA 0.311 4.863 4.550 0.004 0.000 0.328 410 Y C -0.765 174.922 175.900 -0.356 0.000 0.965 410 Y CA -0.685 57.295 58.100 -0.201 0.000 1.208 410 Y CB 1.071 39.449 38.460 -0.138 0.000 1.132 410 Y HN 0.469 nan 8.280 nan 0.000 0.469 411 W N 3.768 125.076 121.300 0.013 0.000 2.332 411 W HA 0.619 5.281 4.660 0.004 0.000 0.306 411 W C -0.913 175.533 176.519 -0.123 0.000 1.149 411 W CA -0.730 56.552 57.345 -0.105 0.000 1.271 411 W CB 1.023 30.429 29.460 -0.090 0.000 1.243 411 W HN 0.138 nan 8.180 nan 0.000 0.459 412 V N 5.080 124.938 119.914 -0.094 0.000 2.459 412 V HA 0.455 4.577 4.120 0.004 0.000 0.295 412 V C -0.578 175.333 176.094 -0.304 0.000 1.029 412 V CA -1.114 61.111 62.300 -0.124 0.000 0.874 412 V CB 0.832 32.586 31.823 -0.115 0.000 0.985 412 V HN 0.197 nan 8.190 nan 0.000 0.438 413 F N 4.239 124.068 119.950 -0.201 0.000 2.469 413 F HA 0.743 5.272 4.527 0.004 0.000 0.332 413 F C 0.259 176.168 175.800 0.182 0.000 1.103 413 F CA -0.502 57.406 58.000 -0.154 0.000 0.979 413 F CB 1.855 40.640 39.000 -0.359 0.000 1.137 413 F HN 0.270 nan 8.300 nan 0.000 0.463 414 M N 1.916 121.853 119.600 0.562 0.000 2.662 414 M HA 0.317 4.799 4.480 0.004 0.000 0.310 414 M C 0.557 177.258 176.300 0.668 0.000 1.204 414 M CA -0.668 54.989 55.300 0.595 0.000 0.891 414 M CB 2.256 35.039 32.600 0.306 0.000 1.732 414 M HN 0.587 nan 8.290 nan 0.000 0.467 415 Q N 0.769 120.837 119.800 0.446 0.000 2.515 415 Q HA -0.117 4.225 4.340 0.004 0.000 0.212 415 Q C 0.287 176.381 176.000 0.156 0.000 0.970 415 Q CA 0.728 56.665 55.803 0.224 0.000 0.941 415 Q CB -0.080 28.713 28.738 0.091 0.000 0.998 415 Q HN 0.600 nan 8.270 nan 0.000 0.518 416 D N -1.707 118.802 120.400 0.181 0.000 2.369 416 D HA 0.073 4.715 4.640 0.004 0.000 0.211 416 D C 1.114 177.438 176.300 0.040 0.000 1.077 416 D CA 0.602 54.647 54.000 0.074 0.000 0.842 416 D CB 0.457 41.318 40.800 0.100 0.000 0.947 416 D HN 0.194 nan 8.370 nan 0.000 0.509 417 G N -0.007 108.914 108.800 0.202 0.000 2.175 417 G HA2 -0.130 3.833 3.960 0.004 0.000 0.244 417 G HA3 -0.130 3.833 3.960 0.004 0.000 0.244 417 G C 0.497 175.723 174.900 0.543 0.000 0.982 417 G CA 0.096 45.370 45.100 0.290 0.000 0.641 417 G HN 0.790 nan 8.290 nan 0.000 0.527 418 A N -0.159 122.883 122.820 0.371 0.000 2.322 418 A HA 0.790 5.112 4.320 0.004 0.000 0.269 418 A C 0.229 177.944 177.584 0.219 0.000 1.094 418 A CA 0.040 52.243 52.037 0.277 0.000 0.807 418 A CB 0.491 19.570 19.000 0.131 0.000 1.047 418 A HN 0.807 nan 8.150 nan 0.000 0.487 419 I N 0.878 121.502 120.570 0.090 0.000 2.509 419 I HA 0.534 4.707 4.170 0.004 0.000 0.293 419 I C 0.155 176.167 176.117 -0.174 0.000 1.020 419 I CA -0.422 60.739 61.300 -0.231 0.000 1.088 419 I CB 1.959 39.767 38.000 -0.320 0.000 1.267 419 I HN 0.807 nan 8.210 nan 0.000 0.430 420 R N 5.995 126.344 120.500 -0.253 0.000 2.744 420 R HA 0.626 4.968 4.340 0.004 0.000 0.279 420 R C -2.004 174.128 176.300 -0.279 0.000 0.977 420 R CA -0.715 55.259 56.100 -0.211 0.000 0.906 420 R CB 2.323 32.531 30.300 -0.153 0.000 1.197 420 R HN 0.607 nan 8.270 nan 0.000 0.463 421 L N 3.874 124.883 121.223 -0.357 0.000 2.298 421 L HA 0.460 4.803 4.340 0.004 0.000 0.284 421 L C -1.432 175.188 176.870 -0.416 0.000 1.013 421 L CA -0.593 53.917 54.840 -0.550 0.000 0.824 421 L CB 1.587 43.193 42.059 -0.756 0.000 1.221 421 L HN 0.721 nan 8.230 nan 0.000 0.418 422 D N 6.120 126.333 120.400 -0.313 0.000 2.278 422 D HA 0.535 5.178 4.640 0.004 0.000 0.245 422 D C -0.395 175.855 176.300 -0.083 0.000 1.052 422 D CA -0.019 53.876 54.000 -0.175 0.000 0.834 422 D CB 2.744 43.465 40.800 -0.131 0.000 1.194 422 D HN 0.350 nan 8.370 nan 0.000 0.481 423 I N 1.619 122.129 120.570 -0.099 0.000 2.545 423 I HA 0.383 4.555 4.170 0.004 0.000 0.292 423 I C 0.065 176.164 176.117 -0.030 0.000 1.040 423 I CA -0.776 60.478 61.300 -0.077 0.000 1.068 423 I CB 2.092 39.955 38.000 -0.229 0.000 1.251 423 I HN -0.058 nan 8.210 nan 0.000 0.424 424 R N 4.747 125.263 120.500 0.026 0.000 2.480 424 R HA 0.540 4.883 4.340 0.004 0.000 0.306 424 R C -1.326 174.895 176.300 -0.132 0.000 0.958 424 R CA -0.967 55.117 56.100 -0.026 0.000 0.861 424 R CB 2.446 32.784 30.300 0.063 0.000 1.171 424 R HN 0.362 nan 8.270 nan 0.000 0.445 425 L N 2.181 123.268 121.223 -0.226 0.000 2.275 425 L HA 0.506 4.848 4.340 0.004 0.000 0.288 425 L C -0.226 176.472 176.870 -0.287 0.000 1.046 425 L CA 0.575 55.171 54.840 -0.406 0.000 0.805 425 L CB 1.720 43.429 42.059 -0.584 0.000 1.193 425 L HN 0.681 nan 8.230 nan 0.000 0.426 426 T N 2.474 116.867 114.554 -0.267 0.000 2.598 426 T HA 0.852 5.205 4.350 0.004 0.000 0.289 426 T C -0.152 174.516 174.700 -0.052 0.000 1.056 426 T CA 0.140 62.162 62.100 -0.131 0.000 1.088 426 T CB 0.639 69.433 68.868 -0.124 0.000 1.519 426 T HN 1.417 nan 8.240 nan 0.000 0.488 427 G N 0.315 109.063 108.800 -0.088 0.000 2.466 427 G HA2 -0.025 3.938 3.960 0.004 0.000 0.218 427 G HA3 -0.025 3.938 3.960 0.004 0.000 0.218 427 G C -1.121 173.674 174.900 -0.175 0.000 1.237 427 G CA -0.200 44.837 45.100 -0.105 0.000 0.954 427 G HN 0.937 nan 8.290 nan 0.000 0.580 428 I N 0.902 121.280 120.570 -0.321 0.000 2.509 428 I HA 0.443 4.615 4.170 0.004 0.000 0.293 428 I C 0.643 176.353 176.117 -0.680 0.000 1.020 428 I CA -0.858 60.172 61.300 -0.450 0.000 1.088 428 I CB 1.787 39.415 38.000 -0.621 0.000 1.267 428 I HN 0.499 nan 8.210 nan 0.000 0.430 429 L N 5.059 126.092 121.223 -0.315 0.000 2.485 429 L HA 0.047 4.390 4.340 0.004 0.000 0.275 429 L C 0.908 177.601 176.870 -0.295 0.000 1.207 429 L CA 0.220 54.913 54.840 -0.245 0.000 0.855 429 L CB -0.030 42.079 42.059 0.084 0.000 1.114 429 L HN 0.673 nan 8.230 nan 0.000 0.485 430 N N 1.568 120.145 118.700 -0.206 0.000 2.513 430 N HA 0.115 4.858 4.740 0.004 0.000 0.268 430 N C -0.802 174.713 175.510 0.009 0.000 1.180 430 N CA -0.178 52.838 53.050 -0.057 0.000 0.948 430 N CB 1.017 39.472 38.487 -0.053 0.000 1.083 430 N HN 0.703 nan 8.380 nan 0.000 0.455 431 T N 0.587 115.223 114.554 0.137 0.000 2.906 431 T HA 0.409 4.761 4.350 0.004 0.000 0.295 431 T C -1.129 173.609 174.700 0.063 0.000 1.061 431 T CA -0.747 61.396 62.100 0.073 0.000 1.000 431 T CB 1.494 70.456 68.868 0.156 0.000 1.103 431 T HN 0.510 nan 8.240 nan 0.000 0.486 432 Y N 1.557 121.695 120.300 -0.270 0.000 2.570 432 Y HA 0.694 5.246 4.550 0.003 0.000 0.345 432 Y C -0.445 175.341 175.900 -0.189 0.000 1.014 432 Y CA -2.174 55.756 58.100 -0.284 0.000 1.063 432 Y CB 1.507 39.697 38.460 -0.449 0.000 1.272 432 Y HN 1.010 nan 8.280 nan 0.000 0.477 433 I N 4.419 124.345 120.570 -1.073 0.000 2.696 433 I HA 0.282 4.454 4.170 0.004 0.000 0.284 433 I C -1.370 174.487 176.117 -0.432 0.000 1.129 433 I CA -0.282 60.620 61.300 -0.664 0.000 1.410 433 I CB 0.539 38.160 38.000 -0.631 0.000 1.399 433 I HN 0.614 nan 8.210 nan 0.000 0.579 434 L N 6.977 128.071 121.223 -0.215 0.000 2.385 434 L HA 0.647 4.990 4.340 0.004 0.000 0.273 434 L C 0.003 176.833 176.870 -0.066 0.000 0.990 434 L CA -0.115 54.673 54.840 -0.086 0.000 0.821 434 L CB 1.541 43.563 42.059 -0.061 0.000 1.279 434 L HN 0.651 nan 8.230 nan 0.000 0.412 435 G N 2.310 111.097 108.800 -0.022 0.000 2.544 435 G HA2 0.126 4.089 3.960 0.004 0.000 0.242 435 G HA3 0.126 4.089 3.960 0.004 0.000 0.242 435 G C 0.348 175.241 174.900 -0.011 0.000 1.247 435 G CA -0.206 44.886 45.100 -0.013 0.000 0.840 435 G HN 0.790 nan 8.290 nan 0.000 0.578 436 D N 0.385 120.781 120.400 -0.006 0.000 2.133 436 D HA -0.100 4.542 4.640 0.004 0.000 0.195 436 D C 0.791 177.090 176.300 -0.003 0.000 0.997 436 D CA 1.287 55.287 54.000 -0.000 0.000 0.840 436 D CB 0.224 41.027 40.800 0.005 0.000 0.947 436 D HN 0.376 nan 8.370 nan 0.000 0.452 437 D N 0.711 121.112 120.400 0.002 0.000 2.895 437 D HA 0.089 4.731 4.640 0.004 0.000 0.258 437 D C -0.131 176.175 176.300 0.010 0.000 1.311 437 D CA -0.008 53.994 54.000 0.003 0.000 0.843 437 D CB 0.370 41.172 40.800 0.004 0.000 1.055 437 D HN 0.258 nan 8.370 nan 0.000 0.486 438 E N 1.133 121.340 120.200 0.012 0.000 2.199 438 E HA 0.150 4.502 4.350 0.004 0.000 0.269 438 E C -0.652 175.962 176.600 0.022 0.000 0.899 438 E CA -0.553 55.864 56.400 0.028 0.000 0.772 438 E CB 1.797 31.524 29.700 0.045 0.000 1.155 438 E HN -0.154 nan 8.360 nan 0.000 0.408 439 E N 2.315 122.531 120.200 0.026 0.000 2.249 439 E HA 0.226 4.578 4.350 0.004 0.000 0.280 439 E C 0.041 176.663 176.600 0.037 0.000 1.016 439 E CA -0.063 56.344 56.400 0.013 0.000 0.830 439 E CB 1.660 31.356 29.700 -0.008 0.000 1.081 439 E HN 0.671 nan 8.360 nan 0.000 0.395 440 A N 3.610 126.449 122.820 0.032 0.000 2.259 440 A HA 0.067 4.389 4.320 0.004 0.000 0.212 440 A C 1.207 178.825 177.584 0.056 0.000 1.178 440 A CA 1.297 53.380 52.037 0.075 0.000 0.734 440 A CB -0.958 18.078 19.000 0.060 0.000 0.774 440 A HN 0.894 nan 8.150 nan 0.000 0.481 441 G N -0.692 108.093 108.800 -0.025 0.000 2.578 441 G HA2 -0.265 3.697 3.960 0.004 0.000 0.275 441 G HA3 -0.265 3.697 3.960 0.004 0.000 0.275 441 G C -1.164 173.568 174.900 -0.280 0.000 1.271 441 G CA 0.205 45.210 45.100 -0.158 0.000 0.941 441 G HN 0.325 nan 8.290 nan 0.000 0.564 442 P HA 0.178 nan 4.420 nan 0.000 0.245 442 P C 1.095 178.126 177.300 -0.448 0.000 1.203 442 P CA 1.200 63.907 63.100 -0.655 0.000 0.792 442 P CB -0.023 31.062 31.700 -1.025 0.000 0.997 443 W N 0.114 121.465 121.300 0.085 0.000 3.139 443 W HA 0.429 5.091 4.660 0.004 0.000 0.260 443 W C 0.982 177.602 176.519 0.168 0.000 1.312 443 W CA -0.064 57.336 57.345 0.092 0.000 1.606 443 W CB 0.207 29.668 29.460 0.002 0.000 1.118 443 W HN -0.074 nan 8.180 nan 0.000 0.675 444 G N -0.551 108.441 108.800 0.319 0.000 2.663 444 G HA2 0.536 4.498 3.960 0.004 0.000 0.299 444 G HA3 0.536 4.498 3.960 0.004 0.000 0.299 444 G C -1.440 173.564 174.900 0.174 0.000 1.372 444 G CA -0.620 44.669 45.100 0.317 0.000 0.781 444 G HN -0.289 nan 8.290 nan 0.000 0.491 445 T N -0.040 114.593 114.554 0.132 0.000 2.876 445 T HA 0.490 4.842 4.350 0.004 0.000 0.289 445 T C -0.117 174.589 174.700 0.010 0.000 1.014 445 T CA -0.622 61.517 62.100 0.065 0.000 0.986 445 T CB 1.927 70.839 68.868 0.074 0.000 1.021 445 T HN 0.563 nan 8.240 nan 0.000 0.458 446 R N 2.730 123.223 120.500 -0.012 0.000 2.308 446 R HA 0.324 4.666 4.340 0.004 0.000 0.325 446 R C 1.014 177.276 176.300 -0.063 0.000 1.161 446 R CA -0.253 55.815 56.100 -0.053 0.000 1.022 446 R CB -0.200 30.070 30.300 -0.050 0.000 1.091 446 R HN 0.571 nan 8.270 nan 0.000 0.497 447 V N 2.154 121.995 119.914 -0.122 0.000 3.608 447 V HA 0.271 4.393 4.120 0.004 0.000 0.269 447 V C -0.257 175.821 176.094 -0.027 0.000 1.245 447 V CA 0.095 62.331 62.300 -0.106 0.000 1.138 447 V CB -0.858 30.834 31.823 -0.219 0.000 0.841 447 V HN 0.675 nan 8.190 nan 0.000 0.451 448 Y N -0.655 119.494 120.300 -0.251 0.000 2.620 448 Y HA 0.583 5.135 4.550 0.004 0.000 0.331 448 Y C -3.158 172.608 175.900 -0.224 0.000 1.173 448 Y CA -2.307 55.690 58.100 -0.172 0.000 1.076 448 Y CB 1.772 40.162 38.460 -0.117 0.000 1.336 448 Y HN -0.113 nan 8.280 nan 0.000 0.459 449 P HA 0.107 nan 4.420 nan 0.000 0.261 449 P C -0.562 176.502 177.300 -0.394 0.000 1.183 449 P CA 1.209 63.922 63.100 -0.646 0.000 0.761 449 P CB 0.279 31.255 31.700 -1.207 0.000 0.785 450 N N -0.178 118.398 118.700 -0.206 0.000 2.878 450 N HA -0.122 4.620 4.740 0.004 0.000 0.247 450 N C -0.775 174.651 175.510 -0.140 0.000 1.021 450 N CA 0.716 53.689 53.050 -0.129 0.000 0.873 450 N CB -1.495 36.942 38.487 -0.083 0.000 1.128 450 N HN 0.180 nan 8.380 nan 0.000 0.571 451 V N 1.288 121.121 119.914 -0.135 0.000 2.448 451 V HA 0.359 4.481 4.120 0.004 0.000 0.295 451 V C 0.274 176.270 176.094 -0.164 0.000 1.025 451 V CA -0.806 61.399 62.300 -0.159 0.000 0.859 451 V CB 2.072 33.772 31.823 -0.205 0.000 0.988 451 V HN 0.222 nan 8.190 nan 0.000 0.431 452 N N 3.128 121.735 118.700 -0.156 0.000 2.479 452 N HA 0.642 5.384 4.740 0.004 0.000 0.261 452 N C -0.455 174.949 175.510 -0.176 0.000 0.979 452 N CA -0.458 52.522 53.050 -0.118 0.000 0.930 452 N CB 1.326 39.784 38.487 -0.049 0.000 1.172 452 N HN 0.829 nan 8.380 nan 0.000 0.499 453 A N 3.532 126.296 122.820 -0.093 0.000 2.294 453 A HA 0.249 4.571 4.320 0.004 0.000 0.316 453 A C -0.562 177.112 177.584 0.149 0.000 1.359 453 A CA -0.406 51.617 52.037 -0.022 0.000 0.956 453 A CB -0.141 18.853 19.000 -0.010 0.000 1.155 453 A HN 0.842 nan 8.150 nan 0.000 0.544 454 H N 2.286 121.482 119.070 0.210 0.000 2.815 454 H HA 0.051 4.609 4.556 0.003 0.000 0.350 454 H C 0.249 175.811 175.328 0.390 0.000 1.080 454 H CA -0.433 55.794 56.048 0.298 0.000 1.433 454 H CB 0.688 30.628 29.762 0.296 0.000 1.432 454 H HN 0.670 nan 8.280 nan 0.000 0.592 455 N N 2.832 121.774 118.700 0.403 0.000 2.381 455 N HA 0.022 4.765 4.740 0.004 0.000 0.241 455 N C -0.087 175.425 175.510 0.004 0.000 1.279 455 N CA 0.427 53.554 53.050 0.129 0.000 0.896 455 N CB 0.492 39.084 38.487 0.176 0.000 1.118 455 N HN 0.727 nan 8.380 nan 0.000 0.438 456 H N -2.277 116.575 119.070 -0.365 0.000 2.921 456 H HA 0.260 4.818 4.556 0.004 0.000 0.287 456 H C -1.526 173.535 175.328 -0.445 0.000 1.434 456 H CA -0.770 54.944 56.048 -0.557 0.000 1.178 456 H CB 0.723 29.698 29.762 -1.312 0.000 1.836 456 H HN 0.429 nan 8.280 nan 0.000 0.495 457 Q N 0.509 120.094 119.800 -0.357 0.000 2.351 457 Q HA 0.393 4.736 4.340 0.004 0.000 0.273 457 Q C -0.826 175.017 176.000 -0.260 0.000 1.077 457 Q CA -1.016 54.629 55.803 -0.264 0.000 0.843 457 Q CB 2.556 31.184 28.738 -0.182 0.000 1.367 457 Q HN 0.497 nan 8.270 nan 0.000 0.449 458 H N 1.584 120.603 119.070 -0.085 0.000 2.762 458 H HA 0.413 4.971 4.556 0.004 0.000 0.310 458 H C -0.985 174.172 175.328 -0.286 0.000 1.004 458 H CA -0.211 55.746 56.048 -0.151 0.000 1.267 458 H CB 0.763 30.519 29.762 -0.010 0.000 1.437 458 H HN 0.360 nan 8.280 nan 0.000 0.498 459 L N 4.118 125.131 121.223 -0.350 0.000 2.346 459 L HA 0.463 4.805 4.340 0.004 0.000 0.276 459 L C -0.837 175.745 176.870 -0.480 0.000 1.006 459 L CA -0.786 53.893 54.840 -0.270 0.000 0.817 459 L CB 1.381 43.384 42.059 -0.094 0.000 1.272 459 L HN 0.316 nan 8.230 nan 0.000 0.421 460 F N 0.086 119.870 119.950 -0.277 0.000 2.577 460 F HA 0.463 4.992 4.527 0.004 0.000 0.318 460 F C 0.285 175.927 175.800 -0.263 0.000 1.065 460 F CA -0.860 56.912 58.000 -0.381 0.000 0.929 460 F CB 2.124 40.622 39.000 -0.837 0.000 1.237 460 F HN 0.223 nan 8.300 nan 0.000 0.468 461 S N 3.243 118.848 115.700 -0.158 0.000 2.601 461 S HA 0.442 4.914 4.470 0.004 0.000 0.312 461 S C -0.985 173.673 174.600 0.098 0.000 1.107 461 S CA -0.597 57.497 58.200 -0.177 0.000 1.129 461 S CB 0.139 62.785 63.200 -0.925 0.000 0.982 461 S HN 0.662 nan 8.310 nan 0.000 0.469 462 L N 5.814 127.217 121.223 0.300 0.000 2.313 462 L HA 0.466 4.809 4.340 0.004 0.000 0.282 462 L C 0.249 177.163 176.870 0.074 0.000 1.092 462 L CA -0.257 54.742 54.840 0.265 0.000 0.831 462 L CB 0.608 42.867 42.059 0.333 0.000 1.159 462 L HN 0.702 nan 8.230 nan 0.000 0.442 463 R N 6.209 126.643 120.500 -0.110 0.000 2.265 463 R HA 0.540 4.882 4.340 0.004 0.000 0.328 463 R C -1.251 174.803 176.300 -0.409 0.000 0.969 463 R CA -0.516 55.280 56.100 -0.506 0.000 0.832 463 R CB 0.789 30.775 30.300 -0.523 0.000 1.139 463 R HN 0.628 nan 8.270 nan 0.000 0.457 464 I N 3.529 123.855 120.570 -0.407 0.000 2.389 464 I HA 0.194 4.366 4.170 0.004 0.000 0.288 464 I C -0.647 175.327 176.117 -0.239 0.000 0.999 464 I CA -0.751 60.325 61.300 -0.372 0.000 1.129 464 I CB 1.899 39.631 38.000 -0.448 0.000 1.288 464 I HN 0.508 nan 8.210 nan 0.000 0.444 465 D N 9.479 129.773 120.400 -0.177 0.000 2.473 465 D HA 0.321 4.964 4.640 0.004 0.000 0.226 465 D C -2.518 173.820 176.300 0.064 0.000 1.089 465 D CA -2.106 51.880 54.000 -0.022 0.000 0.883 465 D CB 1.430 42.251 40.800 0.036 0.000 1.029 465 D HN 0.151 nan 8.370 nan 0.000 0.517 466 P HA 0.321 nan 4.420 nan 0.000 0.276 466 P C -0.415 176.970 177.300 0.141 0.000 1.252 466 P CA -0.543 62.701 63.100 0.240 0.000 0.802 466 P CB 1.293 33.118 31.700 0.209 0.000 1.035 467 R N 1.344 121.918 120.500 0.125 0.000 2.499 467 R HA 0.232 4.575 4.340 0.004 0.000 0.252 467 R C -0.258 176.071 176.300 0.048 0.000 1.309 467 R CA -0.310 55.827 56.100 0.063 0.000 1.425 467 R CB -0.154 30.191 30.300 0.075 0.000 1.392 467 R HN 0.293 nan 8.270 nan 0.000 0.766 468 I N 2.590 123.198 120.570 0.065 0.000 2.792 468 I HA -0.054 4.119 4.170 0.004 0.000 0.284 468 I C 0.600 176.812 176.117 0.158 0.000 1.166 468 I CA 1.057 62.434 61.300 0.128 0.000 1.375 468 I CB -0.355 37.761 38.000 0.192 0.000 1.421 468 I HN 0.598 nan 8.210 nan 0.000 0.544 469 D N 4.829 125.356 120.400 0.212 0.000 2.911 469 D HA -0.155 4.488 4.640 0.004 0.000 0.227 469 D C 0.540 176.849 176.300 0.015 0.000 1.164 469 D CA 1.667 55.697 54.000 0.049 0.000 0.782 469 D CB -0.694 40.020 40.800 -0.143 0.000 1.094 469 D HN 1.188 nan 8.370 nan 0.000 0.425 470 G N -1.228 107.594 108.800 0.037 0.000 2.343 470 G HA2 0.036 3.998 3.960 0.004 0.000 0.562 470 G HA3 0.036 3.998 3.960 0.004 0.000 0.562 470 G C -1.219 173.683 174.900 0.005 0.000 1.269 470 G CA -0.262 44.845 45.100 0.013 0.000 1.011 470 G HN 0.157 nan 8.290 nan 0.000 0.498 471 D N 0.530 120.922 120.400 -0.013 0.000 2.283 471 D HA 0.537 5.180 4.640 0.004 0.000 0.248 471 D C 0.830 177.115 176.300 -0.025 0.000 1.072 471 D CA 1.463 55.447 54.000 -0.027 0.000 0.929 471 D CB 1.249 42.024 40.800 -0.041 0.000 1.182 471 D HN 2.013 nan 8.370 nan 0.000 0.433 472 G N 1.507 110.288 108.800 -0.031 0.000 2.897 472 G HA2 -0.161 3.801 3.960 0.004 0.000 0.436 472 G HA3 -0.161 3.801 3.960 0.004 0.000 0.436 472 G C -0.652 174.215 174.900 -0.055 0.000 1.079 472 G CA -0.765 44.315 45.100 -0.034 0.000 1.090 472 G HN 0.418 nan 8.290 nan 0.000 0.480 473 N N -0.361 118.297 118.700 -0.069 0.000 2.453 473 N HA 0.882 5.625 4.740 0.004 0.000 0.290 473 N C -0.122 175.258 175.510 -0.216 0.000 1.250 473 N CA -0.318 52.649 53.050 -0.138 0.000 0.815 473 N CB 2.187 40.641 38.487 -0.054 0.000 1.381 473 N HN 0.482 nan 8.380 nan 0.000 0.510 474 S N -0.796 114.631 115.700 -0.456 0.000 2.685 474 S HA 0.934 5.406 4.470 0.004 0.000 0.282 474 S C -1.267 173.135 174.600 -0.330 0.000 1.159 474 S CA -0.681 57.240 58.200 -0.466 0.000 0.833 474 S CB 2.044 64.754 63.200 -0.816 0.000 1.151 474 S HN 0.736 nan 8.310 nan 0.000 0.485 475 A N 0.115 122.946 122.820 0.018 0.000 2.515 475 A HA 1.007 5.330 4.320 0.004 0.000 0.296 475 A C -1.125 176.453 177.584 -0.010 0.000 1.094 475 A CA -0.451 51.747 52.037 0.270 0.000 0.718 475 A CB 1.534 20.879 19.000 0.574 0.000 1.307 475 A HN 1.501 nan 8.150 nan 0.000 0.408 476 A N -0.361 122.392 122.820 -0.112 0.000 2.612 476 A HA 0.892 5.214 4.320 0.004 0.000 0.293 476 A C -0.478 176.941 177.584 -0.276 0.000 1.075 476 A CA 0.041 51.737 52.037 -0.568 0.000 0.680 476 A CB 0.879 19.805 19.000 -0.123 0.000 1.279 476 A HN 2.505 nan 8.150 nan 0.000 0.411 477 A N -0.152 122.494 122.820 -0.290 0.000 2.312 477 A HA 0.632 4.955 4.320 0.004 0.000 0.326 477 A C -0.401 177.090 177.584 -0.155 0.000 1.172 477 A CA -0.354 51.607 52.037 -0.127 0.000 0.821 477 A CB 0.321 19.379 19.000 0.097 0.000 1.166 477 A HN 1.310 nan 8.150 nan 0.000 0.493 478 C N 2.172 121.345 119.300 -0.212 0.000 2.340 478 C HA 0.654 5.116 4.460 0.004 0.000 0.323 478 C C -0.839 174.047 174.990 -0.173 0.000 1.260 478 C CA -0.843 58.087 59.018 -0.148 0.000 1.464 478 C CB 0.480 28.157 27.740 -0.104 0.000 2.156 478 C HN 0.802 nan 8.230 nan 0.000 0.476 479 D N 1.956 122.267 120.400 -0.149 0.000 2.505 479 D HA 0.500 5.143 4.640 0.004 0.000 0.249 479 D C -0.331 175.853 176.300 -0.193 0.000 1.082 479 D CA 0.051 53.951 54.000 -0.167 0.000 0.839 479 D CB 2.223 42.934 40.800 -0.149 0.000 1.317 479 D HN 0.680 nan 8.370 nan 0.000 0.497 480 A N 2.873 125.585 122.820 -0.180 0.000 2.450 480 A HA 0.402 4.725 4.320 0.004 0.000 0.255 480 A C 0.106 177.543 177.584 -0.246 0.000 1.096 480 A CA 0.030 51.950 52.037 -0.196 0.000 0.778 480 A CB 0.383 19.269 19.000 -0.191 0.000 1.031 480 A HN 0.417 nan 8.150 nan 0.000 0.494 481 K N 2.028 122.227 120.400 -0.334 0.000 2.502 481 K HA 0.438 4.760 4.320 0.004 0.000 0.257 481 K C -0.840 175.712 176.600 -0.080 0.000 0.938 481 K CA -0.663 55.460 56.287 -0.274 0.000 0.819 481 K CB 2.175 34.443 32.500 -0.386 0.000 1.333 481 K HN 0.583 nan 8.250 nan 0.000 0.434 482 S N 0.989 116.726 115.700 0.062 0.000 2.585 482 S HA 0.052 4.525 4.470 0.004 0.000 0.273 482 S C 0.340 175.136 174.600 0.327 0.000 1.339 482 S CA -0.322 58.001 58.200 0.205 0.000 1.028 482 S CB 1.108 64.386 63.200 0.129 0.000 0.906 482 S HN 0.601 nan 8.310 nan 0.000 0.528 483 S N 2.724 118.642 115.700 0.362 0.000 2.558 483 S HA 0.075 4.547 4.470 0.004 0.000 0.288 483 S C -1.125 173.614 174.600 0.233 0.000 1.318 483 S CA -1.048 57.356 58.200 0.341 0.000 1.056 483 S CB 0.322 63.688 63.200 0.277 0.000 0.853 483 S HN 0.552 nan 8.310 nan 0.000 0.505 484 P HA -0.026 nan 4.420 nan 0.000 0.223 484 P C -0.186 177.047 177.300 -0.112 0.000 1.151 484 P CA 0.647 63.736 63.100 -0.018 0.000 0.787 484 P CB -0.104 31.520 31.700 -0.126 0.000 0.788 485 Y N 2.783 123.107 120.300 0.041 0.000 2.511 485 Y HA 0.134 4.686 4.550 0.004 0.000 0.332 485 Y C -1.222 174.698 175.900 0.034 0.000 1.177 485 Y CA -2.106 56.010 58.100 0.026 0.000 1.422 485 Y CB -0.562 37.907 38.460 0.014 0.000 1.271 485 Y HN 0.064 nan 8.280 nan 0.000 0.550 486 P HA 0.043 nan 4.420 nan 0.000 0.274 486 P C -0.418 176.935 177.300 0.089 0.000 1.246 486 P CA -0.507 62.649 63.100 0.093 0.000 0.795 486 P CB 1.221 32.955 31.700 0.058 0.000 1.006 487 L N 0.732 121.991 121.223 0.060 0.000 2.490 487 L HA 0.130 4.472 4.340 0.004 0.000 0.274 487 L C 1.517 178.389 176.870 0.004 0.000 1.201 487 L CA 1.678 56.539 54.840 0.037 0.000 0.869 487 L CB -0.589 41.488 42.059 0.031 0.000 1.123 487 L HN 0.903 nan 8.230 nan 0.000 0.484 488 G N 2.290 111.065 108.800 -0.042 0.000 2.176 488 G HA2 -0.291 3.671 3.960 0.004 0.000 0.253 488 G HA3 -0.291 3.671 3.960 0.004 0.000 0.253 488 G C 0.259 175.130 174.900 -0.048 0.000 0.979 488 G CA 0.384 45.439 45.100 -0.074 0.000 0.641 488 G HN 0.910 nan 8.290 nan 0.000 0.530 489 S N 0.099 115.795 115.700 -0.005 0.000 2.632 489 S HA 0.659 5.132 4.470 0.004 0.000 0.271 489 S C -0.881 173.700 174.600 -0.032 0.000 1.260 489 S CA -0.647 57.560 58.200 0.013 0.000 1.010 489 S CB 2.324 65.584 63.200 0.100 0.000 0.965 489 S HN -0.026 nan 8.310 nan 0.000 0.534 490 P HA -0.077 nan 4.420 nan 0.000 0.216 490 P C 0.859 178.092 177.300 -0.111 0.000 1.150 490 P CA 1.192 64.248 63.100 -0.072 0.000 0.837 490 P CB -0.005 31.653 31.700 -0.070 0.000 0.786 491 E N -1.591 118.491 120.200 -0.197 0.000 2.268 491 E HA -0.083 4.269 4.350 0.004 0.000 0.195 491 E C 0.853 177.363 176.600 -0.150 0.000 0.995 491 E CA 0.877 57.081 56.400 -0.327 0.000 0.836 491 E CB -0.491 28.645 29.700 -0.940 0.000 0.763 491 E HN 0.141 nan 8.360 nan 0.000 0.491 492 N N -0.694 117.984 118.700 -0.036 0.000 2.604 492 N HA 0.080 4.823 4.740 0.004 0.000 0.284 492 N C 0.353 175.892 175.510 0.047 0.000 1.716 492 N CA -0.040 53.039 53.050 0.048 0.000 0.859 492 N CB -0.095 38.464 38.487 0.120 0.000 1.403 492 N HN -0.102 nan 8.380 nan 0.000 0.501 493 M N 0.360 119.963 119.600 0.004 0.000 2.190 493 M HA -0.210 4.272 4.480 0.004 0.000 0.252 493 M C 0.197 176.352 176.300 -0.241 0.000 1.076 493 M CA 2.133 57.347 55.300 -0.144 0.000 1.079 493 M CB -0.490 31.984 32.600 -0.209 0.000 1.303 493 M HN 0.385 nan 8.290 nan 0.000 0.412 494 Y N -0.703 119.611 120.300 0.022 0.000 2.493 494 Y HA 0.464 5.016 4.550 0.004 0.000 0.275 494 Y C 1.461 177.387 175.900 0.044 0.000 1.183 494 Y CA -0.018 58.099 58.100 0.029 0.000 1.258 494 Y CB -0.577 37.897 38.460 0.023 0.000 1.108 494 Y HN 0.471 nan 8.280 nan 0.000 0.521 495 G N 1.666 110.562 108.800 0.160 0.000 2.258 495 G HA2 -0.391 3.571 3.960 0.004 0.000 0.274 495 G HA3 -0.391 3.571 3.960 0.004 0.000 0.274 495 G C 0.911 175.906 174.900 0.158 0.000 1.021 495 G CA 0.830 46.013 45.100 0.139 0.000 0.798 495 G HN 0.601 nan 8.290 nan 0.000 0.507 496 N N -0.346 118.457 118.700 0.172 0.000 2.254 496 N HA 0.370 5.112 4.740 0.004 0.000 0.190 496 N C 1.022 176.657 175.510 0.207 0.000 1.107 496 N CA 0.623 53.782 53.050 0.181 0.000 0.869 496 N CB 0.119 38.688 38.487 0.138 0.000 0.983 496 N HN 0.918 nan 8.380 nan 0.000 0.487 497 A N 1.037 123.955 122.820 0.164 0.000 2.488 497 A HA 0.443 4.766 4.320 0.004 0.000 0.249 497 A C -0.461 177.288 177.584 0.276 0.000 1.083 497 A CA -0.220 51.894 52.037 0.128 0.000 0.768 497 A CB -0.516 18.545 19.000 0.101 0.000 1.017 497 A HN 0.472 nan 8.150 nan 0.000 0.496 498 F N 0.779 120.822 119.950 0.153 0.000 2.654 498 F HA 0.753 5.283 4.527 0.004 0.000 0.308 498 F C -1.072 174.868 175.800 0.233 0.000 1.108 498 F CA -1.511 56.598 58.000 0.182 0.000 0.957 498 F CB 0.834 39.872 39.000 0.063 0.000 1.309 498 F HN 0.770 nan 8.300 nan 0.000 0.446 499 Y N -0.609 119.865 120.300 0.290 0.000 2.728 499 Y HA 0.790 5.342 4.550 0.004 0.000 0.330 499 Y C -1.388 174.622 175.900 0.184 0.000 1.234 499 Y CA -1.895 56.295 58.100 0.151 0.000 1.070 499 Y CB 0.921 39.415 38.460 0.056 0.000 1.300 499 Y HN 0.795 nan 8.280 nan 0.000 0.467 500 S N 0.696 116.415 115.700 0.031 0.000 2.429 500 S HA 0.284 4.756 4.470 0.004 0.000 0.302 500 S C -0.939 173.628 174.600 -0.055 0.000 1.115 500 S CA -0.575 57.579 58.200 -0.076 0.000 1.095 500 S CB 0.121 63.333 63.200 0.021 0.000 0.987 500 S HN 0.683 nan 8.310 nan 0.000 0.474 501 E N 3.975 124.064 120.200 -0.185 0.000 2.130 501 E HA 0.225 4.577 4.350 0.004 0.000 0.284 501 E C -0.544 176.043 176.600 -0.021 0.000 1.018 501 E CA -0.432 55.959 56.400 -0.015 0.000 0.817 501 E CB 0.512 30.188 29.700 -0.040 0.000 1.078 501 E HN 0.512 nan 8.360 nan 0.000 0.396 502 K N 3.542 123.944 120.400 0.004 0.000 2.263 502 K HA 0.230 4.552 4.320 0.004 0.000 0.272 502 K C -1.219 175.370 176.600 -0.018 0.000 1.033 502 K CA -0.386 55.874 56.287 -0.045 0.000 0.884 502 K CB 1.194 33.638 32.500 -0.093 0.000 1.107 502 K HN 0.335 nan 8.250 nan 0.000 0.460 503 T N 3.325 117.865 114.554 -0.024 0.000 2.853 503 T HA 0.071 4.424 4.350 0.004 0.000 0.317 503 T C -0.363 174.305 174.700 -0.053 0.000 1.059 503 T CA -0.435 61.683 62.100 0.030 0.000 0.954 503 T CB 0.965 69.900 68.868 0.113 0.000 0.994 503 T HN 0.641 nan 8.240 nan 0.000 0.479 504 T N 3.400 117.960 114.554 0.010 0.000 2.817 504 T HA 0.467 4.820 4.350 0.004 0.000 0.293 504 T C -0.104 174.681 174.700 0.143 0.000 0.964 504 T CA -0.698 61.413 62.100 0.019 0.000 1.085 504 T CB -0.203 68.801 68.868 0.227 0.000 0.921 504 T HN 0.239 nan 8.240 nan 0.000 0.502 505 F N 4.452 124.528 119.950 0.210 0.000 2.506 505 F HA 0.356 4.886 4.527 0.004 0.000 0.371 505 F C 1.462 177.332 175.800 0.117 0.000 1.078 505 F CA -0.817 57.272 58.000 0.149 0.000 1.195 505 F CB 0.394 39.482 39.000 0.146 0.000 1.099 505 F HN 0.690 nan 8.300 nan 0.000 0.548 506 K N 0.588 121.156 120.400 0.280 0.000 2.244 506 K HA 0.094 4.416 4.320 0.004 0.000 0.200 506 K C 0.608 177.291 176.600 0.138 0.000 1.052 506 K CA 0.652 57.044 56.287 0.175 0.000 0.980 506 K CB 0.317 32.898 32.500 0.135 0.000 0.838 506 K HN 0.515 nan 8.250 nan 0.000 0.481 507 T N 0.011 114.641 114.554 0.126 0.000 2.908 507 T HA 0.162 4.514 4.350 0.004 0.000 0.290 507 T C 1.238 175.959 174.700 0.036 0.000 1.034 507 T CA -0.624 61.520 62.100 0.073 0.000 1.010 507 T CB 2.216 71.117 68.868 0.053 0.000 1.068 507 T HN -0.265 nan 8.240 nan 0.000 0.481 508 V N 3.127 123.050 119.914 0.014 0.000 2.278 508 V HA -0.209 3.914 4.120 0.004 0.000 0.251 508 V C 2.608 178.637 176.094 -0.109 0.000 1.062 508 V CA 2.112 64.392 62.300 -0.033 0.000 1.038 508 V CB -0.521 31.297 31.823 -0.009 0.000 0.646 508 V HN 0.841 nan 8.190 nan 0.000 0.447 509 K N -0.255 120.098 120.400 -0.078 0.000 2.152 509 K HA -0.251 4.071 4.320 0.004 0.000 0.206 509 K C 1.754 178.264 176.600 -0.151 0.000 1.048 509 K CA 1.892 58.116 56.287 -0.106 0.000 0.933 509 K CB -0.247 32.224 32.500 -0.049 0.000 0.721 509 K HN 0.530 nan 8.250 nan 0.000 0.447 510 D N -0.004 120.325 120.400 -0.119 0.000 2.178 510 D HA -0.123 4.519 4.640 0.004 0.000 0.202 510 D C 1.921 177.897 176.300 -0.540 0.000 0.974 510 D CA 1.511 55.440 54.000 -0.120 0.000 0.841 510 D CB -0.070 40.794 40.800 0.107 0.000 0.953 510 D HN 0.363 nan 8.370 nan 0.000 0.478 511 S N 0.207 115.394 115.700 -0.854 0.000 2.461 511 S HA -0.036 4.436 4.470 0.004 0.000 0.228 511 S C 1.296 175.429 174.600 -0.779 0.000 1.005 511 S CA -0.085 57.191 58.200 -1.540 0.000 0.942 511 S CB -0.530 62.128 63.200 -0.903 0.000 0.776 511 S HN 0.172 nan 8.310 nan 0.000 0.514 512 L N 3.794 124.699 121.223 -0.530 0.000 2.617 512 L HA 0.230 4.572 4.340 0.004 0.000 0.282 512 L C 0.387 177.101 176.870 -0.261 0.000 1.174 512 L CA -0.130 54.357 54.840 -0.587 0.000 1.016 512 L CB -1.091 40.462 42.059 -0.844 0.000 1.337 512 L HN 0.420 nan 8.230 nan 0.000 0.460 513 T N -1.046 113.510 114.554 0.003 0.000 2.896 513 T HA 0.549 4.902 4.350 0.004 0.000 0.297 513 T C -0.390 174.586 174.700 0.460 0.000 1.108 513 T CA -1.100 61.179 62.100 0.299 0.000 1.004 513 T CB 2.497 71.642 68.868 0.462 0.000 1.159 513 T HN 0.219 nan 8.240 nan 0.000 0.499 514 N N -0.063 118.924 118.700 0.477 0.000 2.402 514 N HA 0.358 5.100 4.740 0.004 0.000 0.294 514 N C -1.358 174.526 175.510 0.623 0.000 1.203 514 N CA -0.646 52.702 53.050 0.497 0.000 0.838 514 N CB 1.310 39.976 38.487 0.297 0.000 1.306 514 N HN 0.770 nan 8.380 nan 0.000 0.510 515 Y N 0.951 121.600 120.300 0.581 0.000 2.497 515 Y HA 0.049 4.601 4.550 0.004 0.000 0.334 515 Y C -0.253 175.780 175.900 0.220 0.000 1.199 515 Y CA 0.480 58.867 58.100 0.477 0.000 1.425 515 Y CB 0.534 39.281 38.460 0.478 0.000 1.291 515 Y HN 0.285 nan 8.280 nan 0.000 0.562 516 E N 3.714 123.350 120.200 -0.941 0.000 2.235 516 E HA 0.130 4.482 4.350 0.004 0.000 0.252 516 E C 0.517 176.574 176.600 -0.906 0.000 0.886 516 E CA 0.029 56.026 56.400 -0.672 0.000 0.767 516 E CB 1.520 31.026 29.700 -0.324 0.000 1.205 516 E HN 0.811 nan 8.360 nan 0.000 0.421 517 S N 1.782 117.122 115.700 -0.600 0.000 2.382 517 S HA -0.193 4.279 4.470 0.004 0.000 0.228 517 S C 1.885 176.385 174.600 -0.166 0.000 1.027 517 S CA 1.045 59.097 58.200 -0.247 0.000 0.991 517 S CB -0.105 63.096 63.200 0.001 0.000 0.823 517 S HN 0.462 nan 8.310 nan 0.000 0.469 518 A N 1.747 124.469 122.820 -0.162 0.000 2.076 518 A HA -0.017 4.305 4.320 0.004 0.000 0.220 518 A C 2.288 179.792 177.584 -0.133 0.000 1.160 518 A CA 1.873 53.841 52.037 -0.116 0.000 0.653 518 A CB -0.966 17.978 19.000 -0.092 0.000 0.801 518 A HN 0.835 nan 8.150 nan 0.000 0.455 519 T N -5.865 108.582 114.554 -0.177 0.000 3.058 519 T HA 0.433 4.785 4.350 0.004 0.000 0.278 519 T C 1.087 175.689 174.700 -0.163 0.000 0.974 519 T CA 0.945 62.943 62.100 -0.170 0.000 0.893 519 T CB 0.015 68.779 68.868 -0.174 0.000 1.138 519 T HN 1.686 nan 8.240 nan 0.000 0.529 520 G N 2.812 111.522 108.800 -0.150 0.000 2.323 520 G HA2 -0.336 3.627 3.960 0.004 0.000 0.292 520 G HA3 -0.336 3.627 3.960 0.004 0.000 0.292 520 G C 0.013 174.895 174.900 -0.031 0.000 1.040 520 G CA 0.285 45.371 45.100 -0.024 0.000 0.942 520 G HN 0.938 nan 8.290 nan 0.000 0.506 521 R N -0.009 120.382 120.500 -0.181 0.000 2.638 521 R HA 0.381 4.724 4.340 0.004 0.000 0.268 521 R C 0.753 176.907 176.300 -0.244 0.000 1.006 521 R CA 0.940 56.864 56.100 -0.293 0.000 1.088 521 R CB 0.247 30.250 30.300 -0.496 0.000 0.950 521 R HN 0.827 nan 8.270 nan 0.000 0.419 522 S N 3.406 118.850 115.700 -0.427 0.000 2.607 522 S HA 0.562 5.035 4.470 0.004 0.000 0.273 522 S C -1.322 173.081 174.600 -0.327 0.000 1.148 522 S CA -1.064 56.992 58.200 -0.240 0.000 0.833 522 S CB 1.284 64.473 63.200 -0.018 0.000 1.130 522 S HN 0.618 nan 8.310 nan 0.000 0.470 523 W N 0.734 122.132 121.300 0.164 0.000 2.736 523 W HA 0.458 5.120 4.660 0.004 0.000 0.335 523 W C -1.226 175.380 176.519 0.145 0.000 1.059 523 W CA -0.410 57.062 57.345 0.211 0.000 1.226 523 W CB 2.046 31.759 29.460 0.422 0.000 1.416 523 W HN 0.639 nan 8.180 nan 0.000 0.505 524 D N 2.019 122.635 120.400 0.360 0.000 2.185 524 D HA 0.512 5.154 4.640 0.004 0.000 0.247 524 D C -0.449 176.101 176.300 0.418 0.000 1.027 524 D CA -0.328 53.854 54.000 0.303 0.000 0.861 524 D CB 2.058 42.973 40.800 0.192 0.000 1.202 524 D HN 0.086 nan 8.370 nan 0.000 0.453 525 I N 3.394 124.175 120.570 0.353 0.000 2.411 525 I HA 0.351 4.524 4.170 0.004 0.000 0.284 525 I C -0.759 175.587 176.117 0.381 0.000 1.012 525 I CA -0.893 60.586 61.300 0.298 0.000 1.119 525 I CB 0.372 38.458 38.000 0.143 0.000 1.261 525 I HN 0.211 nan 8.210 nan 0.000 0.448 526 F N 4.085 124.117 119.950 0.137 0.000 2.640 526 F HA 0.584 5.113 4.527 0.004 0.000 0.324 526 F C -0.608 175.251 175.800 0.098 0.000 1.077 526 F CA -1.296 56.776 58.000 0.120 0.000 0.965 526 F CB 1.009 40.060 39.000 0.085 0.000 1.351 526 F HN 0.182 nan 8.300 nan 0.000 0.487 527 N N 2.758 121.577 118.700 0.200 0.000 2.609 527 N HA 0.317 5.059 4.740 0.004 0.000 0.234 527 N C -2.060 173.543 175.510 0.154 0.000 1.001 527 N CA -2.513 50.575 53.050 0.063 0.000 0.926 527 N CB 1.277 39.805 38.487 0.069 0.000 1.130 527 N HN 0.444 nan 8.380 nan 0.000 0.510 528 P HA -0.022 nan 4.420 nan 0.000 0.239 528 P C -0.258 177.105 177.300 0.105 0.000 1.184 528 P CA 0.756 63.980 63.100 0.206 0.000 0.760 528 P CB 0.248 32.030 31.700 0.136 0.000 0.884 529 N N -0.560 118.173 118.700 0.054 0.000 2.322 529 N HA 0.079 4.821 4.740 0.004 0.000 0.194 529 N C 0.229 175.750 175.510 0.018 0.000 1.126 529 N CA 0.200 53.267 53.050 0.028 0.000 0.845 529 N CB 0.146 38.638 38.487 0.008 0.000 0.976 529 N HN 0.209 nan 8.380 nan 0.000 0.475 530 K N -0.035 120.382 120.400 0.029 0.000 2.509 530 K HA 0.630 4.952 4.320 0.004 0.000 0.266 530 K C -1.344 175.259 176.600 0.005 0.000 0.987 530 K CA -1.091 55.196 56.287 -0.001 0.000 0.868 530 K CB 2.827 35.307 32.500 -0.033 0.000 1.421 530 K HN -0.157 nan 8.250 nan 0.000 0.444 531 V N -1.572 118.329 119.914 -0.022 0.000 2.925 531 V HA 0.473 4.595 4.120 0.004 0.000 0.311 531 V C -0.785 175.283 176.094 -0.044 0.000 1.104 531 V CA -1.042 61.245 62.300 -0.023 0.000 0.954 531 V CB 1.867 33.681 31.823 -0.016 0.000 1.022 531 V HN 0.806 nan 8.190 nan 0.000 0.427 532 N N 5.120 123.803 118.700 -0.028 0.000 2.442 532 N HA 0.270 5.012 4.740 0.004 0.000 0.265 532 N C -1.347 174.149 175.510 -0.024 0.000 1.138 532 N CA -1.384 51.646 53.050 -0.033 0.000 0.956 532 N CB 1.908 40.428 38.487 0.056 0.000 1.067 532 N HN 0.661 nan 8.380 nan 0.000 0.474 533 P HA -0.118 nan 4.420 nan 0.000 0.228 533 P C 0.339 177.710 177.300 0.119 0.000 1.151 533 P CA 1.178 64.249 63.100 -0.048 0.000 0.770 533 P CB 0.179 31.790 31.700 -0.148 0.000 0.786 534 Y N 0.725 121.034 120.300 0.014 0.000 2.351 534 Y HA 0.023 4.576 4.550 0.004 0.000 0.291 534 Y C 2.911 178.827 175.900 0.026 0.000 1.153 534 Y CA 0.847 58.957 58.100 0.016 0.000 1.193 534 Y CB -1.259 37.213 38.460 0.019 0.000 1.187 534 Y HN 0.037 nan 8.280 nan 0.000 0.524 535 S N -0.901 114.945 115.700 0.242 0.000 2.461 535 S HA 0.166 4.638 4.470 0.004 0.000 0.228 535 S C 1.937 176.577 174.600 0.066 0.000 1.005 535 S CA 0.884 59.186 58.200 0.171 0.000 0.942 535 S CB -0.373 63.019 63.200 0.319 0.000 0.776 535 S HN 0.664 nan 8.310 nan 0.000 0.514 536 G N 0.958 109.786 108.800 0.047 0.000 2.179 536 G HA2 -0.218 3.744 3.960 0.004 0.000 0.260 536 G HA3 -0.218 3.744 3.960 0.004 0.000 0.260 536 G C 0.014 174.878 174.900 -0.060 0.000 0.977 536 G CA 0.427 45.525 45.100 -0.004 0.000 0.641 536 G HN 0.543 nan 8.290 nan 0.000 0.533 537 K N 1.072 121.401 120.400 -0.119 0.000 2.095 537 K HA 0.532 4.854 4.320 0.004 0.000 0.252 537 K C -2.304 174.212 176.600 -0.139 0.000 0.977 537 K CA -2.229 53.911 56.287 -0.245 0.000 0.900 537 K CB 1.410 33.520 32.500 -0.650 0.000 1.060 537 K HN 0.166 nan 8.250 nan 0.000 0.449 538 P HA 0.134 nan 4.420 nan 0.000 0.272 538 P C -2.480 174.864 177.300 0.073 0.000 1.223 538 P CA -1.283 61.831 63.100 0.023 0.000 0.784 538 P CB -0.162 31.634 31.700 0.159 0.000 0.923 539 P HA 0.058 nan 4.420 nan 0.000 0.271 539 P C -0.293 177.177 177.300 0.284 0.000 1.218 539 P CA 0.363 63.532 63.100 0.116 0.000 0.780 539 P CB 0.628 32.265 31.700 -0.106 0.000 0.901 540 S N 1.646 117.554 115.700 0.347 0.000 2.615 540 S HA 0.549 5.022 4.470 0.004 0.000 0.269 540 S C -1.912 172.831 174.600 0.237 0.000 1.161 540 S CA -0.676 57.736 58.200 0.353 0.000 0.817 540 S CB 1.025 64.400 63.200 0.291 0.000 1.131 540 S HN 0.290 nan 8.310 nan 0.000 0.467 541 Y N 1.026 121.389 120.300 0.105 0.000 2.350 541 Y HA 0.588 5.141 4.550 0.004 0.000 0.338 541 Y C 0.024 175.973 175.900 0.082 0.000 0.961 541 Y CA -0.476 57.641 58.100 0.029 0.000 1.100 541 Y CB 1.936 40.388 38.460 -0.013 0.000 1.179 541 Y HN 0.862 nan 8.280 nan 0.000 0.454 542 K N 4.650 125.096 120.400 0.076 0.000 2.213 542 K HA 0.450 4.773 4.320 0.004 0.000 0.270 542 K C -1.352 175.308 176.600 0.099 0.000 1.002 542 K CA -0.870 55.478 56.287 0.102 0.000 0.868 542 K CB 0.865 33.399 32.500 0.058 0.000 1.093 542 K HN 0.650 nan 8.250 nan 0.000 0.454 543 L N 5.606 126.904 121.223 0.126 0.000 2.313 543 L HA 0.233 4.576 4.340 0.004 0.000 0.282 543 L C -1.284 175.678 176.870 0.153 0.000 1.092 543 L CA 0.028 54.918 54.840 0.082 0.000 0.831 543 L CB 1.182 43.258 42.059 0.027 0.000 1.159 543 L HN 0.385 nan 8.230 nan 0.000 0.442 544 V N 5.126 125.082 119.914 0.070 0.000 2.284 544 V HA 0.482 4.605 4.120 0.004 0.000 0.274 544 V C -0.039 176.073 176.094 0.030 0.000 1.023 544 V CA -0.217 62.122 62.300 0.065 0.000 0.808 544 V CB 0.820 32.657 31.823 0.024 0.000 1.035 544 V HN 0.846 nan 8.190 nan 0.000 0.445 545 S N 2.712 118.464 115.700 0.087 0.000 2.594 545 S HA 0.551 5.023 4.470 0.004 0.000 0.296 545 S C 0.438 174.990 174.600 -0.080 0.000 1.124 545 S CA -0.216 58.028 58.200 0.073 0.000 1.011 545 S CB 2.119 65.473 63.200 0.257 0.000 1.016 545 S HN 0.675 nan 8.310 nan 0.000 0.485 546 T N 3.036 117.488 114.554 -0.170 0.000 2.954 546 T HA 0.223 4.575 4.350 0.004 0.000 0.252 546 T C 0.131 174.724 174.700 -0.179 0.000 0.983 546 T CA 0.241 62.086 62.100 -0.426 0.000 0.941 546 T CB 0.145 68.847 68.868 -0.277 0.000 1.141 546 T HN 0.632 nan 8.240 nan 0.000 0.500 547 Q N 1.244 121.045 119.800 0.002 0.000 3.027 547 Q HA 0.277 4.619 4.340 0.004 0.000 0.260 547 Q C -0.896 175.216 176.000 0.188 0.000 1.379 547 Q CA -0.269 55.594 55.803 0.100 0.000 1.038 547 Q CB -0.280 28.532 28.738 0.123 0.000 1.578 547 Q HN 0.330 nan 8.270 nan 0.000 0.571 548 C N 3.283 122.690 119.300 0.178 0.000 2.787 548 C HA 0.363 4.825 4.460 0.004 0.000 0.265 548 C C -1.870 173.255 174.990 0.226 0.000 1.190 548 C CA -1.743 57.422 59.018 0.246 0.000 1.616 548 C CB -0.609 27.356 27.740 0.375 0.000 1.732 548 C HN 0.544 nan 8.230 nan 0.000 0.433 549 P HA 0.299 nan 4.420 nan 0.000 0.275 549 P C -2.377 174.977 177.300 0.091 0.000 1.228 549 P CA -0.828 62.344 63.100 0.121 0.000 0.786 549 P CB 0.406 32.151 31.700 0.076 0.000 0.927 550 P HA 0.145 nan 4.420 nan 0.000 0.274 550 P C -0.476 176.812 177.300 -0.020 0.000 1.231 550 P CA -0.505 62.615 63.100 0.033 0.000 0.790 550 P CB 0.662 32.385 31.700 0.039 0.000 0.951 551 L N 3.029 124.208 121.223 -0.074 0.000 2.385 551 L HA 0.068 4.410 4.340 0.004 0.000 0.281 551 L C 1.217 178.030 176.870 -0.094 0.000 1.106 551 L CA 0.294 55.063 54.840 -0.118 0.000 0.856 551 L CB -0.592 41.355 42.059 -0.187 0.000 1.186 551 L HN 0.325 nan 8.230 nan 0.000 0.453 552 L N 4.743 125.920 121.223 -0.076 0.000 2.156 552 L HA 0.058 4.400 4.340 0.004 0.000 0.208 552 L C 1.490 178.318 176.870 -0.070 0.000 1.095 552 L CA 0.595 55.407 54.840 -0.047 0.000 0.770 552 L CB -0.544 41.503 42.059 -0.021 0.000 0.914 552 L HN 0.838 nan 8.230 nan 0.000 0.439 553 A N 0.664 123.420 122.820 -0.107 0.000 2.540 553 A HA 0.078 4.400 4.320 0.004 0.000 0.239 553 A C 0.311 177.820 177.584 -0.125 0.000 1.061 553 A CA -0.096 51.864 52.037 -0.127 0.000 0.758 553 A CB 0.016 18.916 19.000 -0.167 0.000 0.991 553 A HN 0.070 nan 8.150 nan 0.000 0.502 554 K N 1.041 121.372 120.400 -0.114 0.000 2.440 554 K HA 0.065 4.387 4.320 0.004 0.000 0.270 554 K C 0.605 177.132 176.600 -0.121 0.000 0.980 554 K CA 0.359 56.584 56.287 -0.102 0.000 0.953 554 K CB 0.347 32.794 32.500 -0.090 0.000 0.925 554 K HN 0.795 nan 8.250 nan 0.000 0.497 555 E N 0.637 120.774 120.200 -0.106 0.000 2.376 555 E HA 0.117 4.470 4.350 0.004 0.000 0.266 555 E C 0.437 176.969 176.600 -0.112 0.000 1.009 555 E CA 0.814 57.148 56.400 -0.111 0.000 0.902 555 E CB 0.093 29.741 29.700 -0.087 0.000 0.972 555 E HN 0.700 nan 8.360 nan 0.000 0.439 556 G N 3.155 111.876 108.800 -0.132 0.000 2.176 556 G HA2 -0.309 3.653 3.960 0.004 0.000 0.253 556 G HA3 -0.309 3.653 3.960 0.004 0.000 0.253 556 G C 0.196 175.003 174.900 -0.155 0.000 0.979 556 G CA 0.378 45.397 45.100 -0.134 0.000 0.641 556 G HN 0.807 nan 8.290 nan 0.000 0.530 557 S N -0.642 114.955 115.700 -0.171 0.000 2.645 557 S HA 0.682 5.155 4.470 0.004 0.000 0.266 557 S C 1.595 176.048 174.600 -0.245 0.000 1.258 557 S CA -0.113 57.974 58.200 -0.188 0.000 0.990 557 S CB 1.721 64.811 63.200 -0.184 0.000 0.967 557 S HN 0.441 nan 8.310 nan 0.000 0.556 558 L N 0.797 121.866 121.223 -0.258 0.000 1.990 558 L HA -0.126 4.217 4.340 0.004 0.000 0.213 558 L C 2.550 179.170 176.870 -0.418 0.000 1.072 558 L CA 1.555 56.200 54.840 -0.325 0.000 0.755 558 L CB -0.585 41.295 42.059 -0.298 0.000 0.889 558 L HN 0.692 nan 8.230 nan 0.000 0.432 559 V N -0.232 119.410 119.914 -0.453 0.000 2.295 559 V HA -0.310 3.813 4.120 0.004 0.000 0.246 559 V C 2.679 178.576 176.094 -0.329 0.000 1.049 559 V CA 1.834 63.889 62.300 -0.408 0.000 1.024 559 V CB -0.857 30.766 31.823 -0.334 0.000 0.648 559 V HN 0.565 nan 8.190 nan 0.000 0.447 560 A N -0.491 122.149 122.820 -0.300 0.000 1.972 560 A HA -0.201 4.122 4.320 0.004 0.000 0.219 560 A C 2.281 179.689 177.584 -0.293 0.000 1.169 560 A CA 1.717 53.582 52.037 -0.287 0.000 0.635 560 A CB -0.344 18.517 19.000 -0.231 0.000 0.810 560 A HN 0.560 nan 8.150 nan 0.000 0.446 561 K N -0.618 119.590 120.400 -0.320 0.000 2.116 561 K HA -0.029 4.293 4.320 0.004 0.000 0.203 561 K C 1.974 178.287 176.600 -0.478 0.000 1.052 561 K CA 1.091 57.154 56.287 -0.374 0.000 0.952 561 K CB -0.122 32.118 32.500 -0.432 0.000 0.729 561 K HN 0.392 nan 8.250 nan 0.000 0.446 562 R N 0.300 120.524 120.500 -0.459 0.000 2.275 562 R HA 0.086 4.428 4.340 0.004 0.000 0.199 562 R C 0.548 176.833 176.300 -0.026 0.000 0.989 562 R CA 0.429 56.321 56.100 -0.346 0.000 1.016 562 R CB 0.370 30.558 30.300 -0.186 0.000 0.918 562 R HN -0.000 nan 8.270 nan 0.000 0.473 563 A N 1.479 124.165 122.820 -0.223 0.000 3.258 563 A HA 0.284 4.606 4.320 0.004 0.000 0.318 563 A C -2.008 175.176 177.584 -0.667 0.000 0.990 563 A CA -1.154 50.588 52.037 -0.491 0.000 0.885 563 A CB 0.583 19.148 19.000 -0.726 0.000 1.090 563 A HN -0.080 nan 8.150 nan 0.000 0.479 564 P HA -0.171 nan 4.420 nan 0.000 0.219 564 P C 1.358 178.553 177.300 -0.174 0.000 1.146 564 P CA 1.110 64.090 63.100 -0.200 0.000 0.808 564 P CB -0.209 31.456 31.700 -0.058 0.000 0.779 565 W N 0.080 121.339 121.300 -0.069 0.000 2.519 565 W HA 0.239 4.901 4.660 0.003 0.000 0.266 565 W C 1.561 178.079 176.519 -0.001 0.000 1.253 565 W CA 0.573 57.890 57.345 -0.046 0.000 1.274 565 W CB -1.704 27.711 29.460 -0.076 0.000 1.114 565 W HN -0.080 nan 8.180 nan 0.000 0.596 566 A N 1.205 123.587 122.820 -0.730 0.000 2.119 566 A HA -0.046 4.277 4.320 0.004 0.000 0.217 566 A C 2.082 179.505 177.584 -0.268 0.000 1.153 566 A CA 1.434 53.125 52.037 -0.576 0.000 0.692 566 A CB -0.768 17.623 19.000 -1.015 0.000 0.799 566 A HN 0.213 nan 8.150 nan 0.000 0.458 567 S N -0.573 114.976 115.700 -0.253 0.000 2.474 567 S HA -0.017 4.455 4.470 0.004 0.000 0.235 567 S C 0.192 174.507 174.600 -0.475 0.000 0.997 567 S CA 0.745 58.746 58.200 -0.331 0.000 0.949 567 S CB -0.273 62.715 63.200 -0.354 0.000 0.766 567 S HN 0.796 nan 8.310 nan 0.000 0.517 568 H N -1.308 117.765 119.070 0.005 0.000 2.768 568 H HA 0.411 4.969 4.556 0.004 0.000 0.371 568 H C 0.651 176.034 175.328 0.093 0.000 1.151 568 H CA -0.522 55.558 56.048 0.054 0.000 1.165 568 H CB 1.433 31.212 29.762 0.029 0.000 1.722 568 H HN -0.125 nan 8.280 nan 0.000 0.543 569 S N 0.618 116.474 115.700 0.258 0.000 2.402 569 S HA 0.008 4.481 4.470 0.004 0.000 0.229 569 S C 0.498 175.179 174.600 0.134 0.000 1.021 569 S CA 0.614 58.945 58.200 0.219 0.000 0.974 569 S CB 0.292 63.714 63.200 0.370 0.000 0.800 569 S HN 0.250 nan 8.310 nan 0.000 0.484 570 V N 2.544 122.463 119.914 0.009 0.000 2.709 570 V HA 0.430 4.552 4.120 0.004 0.000 0.308 570 V C -1.049 174.924 176.094 -0.202 0.000 1.062 570 V CA -0.951 61.198 62.300 -0.252 0.000 0.901 570 V CB 2.058 33.455 31.823 -0.709 0.000 1.003 570 V HN 0.248 nan 8.190 nan 0.000 0.425 571 N N 3.027 121.599 118.700 -0.213 0.000 2.410 571 N HA 0.590 5.332 4.740 0.004 0.000 0.287 571 N C -1.493 173.933 175.510 -0.140 0.000 1.044 571 N CA -0.306 52.671 53.050 -0.122 0.000 0.881 571 N CB 2.754 41.280 38.487 0.065 0.000 1.405 571 N HN 0.343 nan 8.380 nan 0.000 0.490 572 V N 2.183 122.008 119.914 -0.148 0.000 2.407 572 V HA 0.478 4.601 4.120 0.004 0.000 0.291 572 V C 0.153 176.282 176.094 0.058 0.000 1.018 572 V CA -0.773 61.509 62.300 -0.030 0.000 0.842 572 V CB 1.606 33.429 31.823 0.001 0.000 0.996 572 V HN 0.482 nan 8.190 nan 0.000 0.426 573 V N 3.429 123.427 119.914 0.140 0.000 3.074 573 V HA 0.811 4.934 4.120 0.004 0.000 0.314 573 V C -2.722 173.426 176.094 0.091 0.000 1.117 573 V CA -2.784 59.584 62.300 0.115 0.000 1.014 573 V CB 2.334 34.250 31.823 0.156 0.000 1.057 573 V HN 0.604 nan 8.190 nan 0.000 0.438 574 P HA 0.137 nan 4.420 nan 0.000 0.272 574 P C -1.154 176.142 177.300 -0.007 0.000 1.223 574 P CA 0.154 63.282 63.100 0.047 0.000 0.784 574 P CB 0.313 32.033 31.700 0.034 0.000 0.923 575 Y N 2.612 122.879 120.300 -0.055 0.000 2.411 575 Y HA 0.318 4.871 4.550 0.004 0.000 0.333 575 Y C 0.127 175.953 175.900 -0.122 0.000 1.186 575 Y CA 0.667 58.706 58.100 -0.101 0.000 1.381 575 Y CB 0.605 39.021 38.460 -0.074 0.000 1.273 575 Y HN 0.259 nan 8.280 nan 0.000 0.546 576 K N 3.682 123.314 120.400 -1.279 0.000 2.546 576 K HA 0.261 4.584 4.320 0.004 0.000 0.264 576 K C -1.701 174.203 176.600 -1.159 0.000 0.937 576 K CA -0.707 55.069 56.287 -0.850 0.000 0.833 576 K CB 1.286 33.483 32.500 -0.506 0.000 1.378 576 K HN 0.620 nan 8.250 nan 0.000 0.432 577 D N 2.197 122.272 120.400 -0.542 0.000 2.399 577 D HA 0.073 4.716 4.640 0.004 0.000 0.241 577 D C -0.038 176.072 176.300 -0.317 0.000 1.133 577 D CA 0.691 54.511 54.000 -0.300 0.000 0.890 577 D CB 0.472 41.239 40.800 -0.055 0.000 1.201 577 D HN 0.557 nan 8.370 nan 0.000 0.432 578 N N 1.093 119.638 118.700 -0.259 0.000 2.782 578 N HA -0.222 4.520 4.740 0.004 0.000 0.251 578 N C -0.449 174.870 175.510 -0.319 0.000 1.101 578 N CA 0.525 53.422 53.050 -0.254 0.000 0.764 578 N CB -0.818 37.561 38.487 -0.180 0.000 1.122 578 N HN 0.450 nan 8.380 nan 0.000 0.561 579 R N 0.837 121.035 120.500 -0.503 0.000 3.171 579 R HA 0.335 4.677 4.340 0.004 0.000 0.241 579 R C 1.263 177.223 176.300 -0.565 0.000 1.421 579 R CA -0.139 55.496 56.100 -0.775 0.000 1.444 579 R CB 0.325 29.811 30.300 -1.357 0.000 1.247 579 R HN 0.213 nan 8.270 nan 0.000 0.636 580 L N 0.639 121.633 121.223 -0.381 0.000 2.435 580 L HA 0.197 4.539 4.340 0.004 0.000 0.195 580 L C -0.086 176.615 176.870 -0.281 0.000 1.072 580 L CA 0.388 54.912 54.840 -0.526 0.000 0.833 580 L CB 0.099 41.423 42.059 -1.225 0.000 1.081 580 L HN 0.343 nan 8.230 nan 0.000 0.485 581 Y N 0.877 121.318 120.300 0.236 0.000 2.518 581 Y HA 0.263 4.816 4.550 0.004 0.000 0.344 581 Y C -1.653 174.255 175.900 0.014 0.000 0.982 581 Y CA -3.325 54.834 58.100 0.098 0.000 1.234 581 Y CB -0.215 38.212 38.460 -0.054 0.000 1.114 581 Y HN -0.036 nan 8.280 nan 0.000 0.515 582 P HA -0.147 nan 4.420 nan 0.000 0.218 582 P C 0.735 177.928 177.300 -0.178 0.000 1.146 582 P CA 1.543 64.409 63.100 -0.390 0.000 0.813 582 P CB 0.395 31.758 31.700 -0.560 0.000 0.778 583 S N -1.241 114.463 115.700 0.007 0.000 2.574 583 S HA 0.498 4.970 4.470 0.004 0.000 0.242 583 S C 0.679 175.184 174.600 -0.157 0.000 0.982 583 S CA 0.223 58.498 58.200 0.125 0.000 0.977 583 S CB -0.315 63.095 63.200 0.349 0.000 0.814 583 S HN 0.424 nan 8.310 nan 0.000 0.464 584 G N 1.455 110.091 108.800 -0.275 0.000 2.707 584 G HA2 -0.154 3.809 3.960 0.004 0.000 0.686 584 G HA3 -0.154 3.809 3.960 0.004 0.000 0.686 584 G C -0.386 174.410 174.900 -0.173 0.000 1.315 584 G CA -0.428 44.465 45.100 -0.345 0.000 0.832 584 G HN 0.229 nan 8.290 nan 0.000 0.573 585 D N -0.095 120.185 120.400 -0.200 0.000 2.194 585 D HA 0.047 4.690 4.640 0.004 0.000 0.204 585 D C 0.781 176.747 176.300 -0.556 0.000 0.964 585 D CA 1.307 55.133 54.000 -0.290 0.000 0.846 585 D CB 0.025 40.628 40.800 -0.328 0.000 0.962 585 D HN 0.486 nan 8.370 nan 0.000 0.490 586 H N 0.421 119.452 119.070 -0.064 0.000 2.736 586 H HA 0.236 4.794 4.556 0.004 0.000 0.271 586 H C 1.015 176.320 175.328 -0.038 0.000 1.184 586 H CA -0.283 55.745 56.048 -0.034 0.000 1.378 586 H CB 1.418 31.172 29.762 -0.013 0.000 1.428 586 H HN -0.206 nan 8.280 nan 0.000 0.500 587 V N 3.567 123.508 119.914 0.046 0.000 2.346 587 V HA -0.042 4.081 4.120 0.004 0.000 0.244 587 V C -1.550 174.640 176.094 0.160 0.000 1.037 587 V CA 0.639 63.000 62.300 0.101 0.000 1.029 587 V CB -1.088 30.760 31.823 0.040 0.000 0.663 587 V HN 0.449 nan 8.190 nan 0.000 0.454 588 P HA -0.005 nan 4.420 nan 0.000 0.261 588 P C 0.360 177.769 177.300 0.182 0.000 1.173 588 P CA 0.921 64.077 63.100 0.094 0.000 0.760 588 P CB 0.034 31.758 31.700 0.041 0.000 0.783 589 Q N -1.703 118.231 119.800 0.222 0.000 2.305 589 Q HA -0.241 4.101 4.340 0.004 0.000 0.203 589 Q C -0.183 176.070 176.000 0.422 0.000 0.663 589 Q CA 0.604 56.607 55.803 0.332 0.000 1.389 589 Q CB -1.738 27.146 28.738 0.243 0.000 1.566 589 Q HN 0.542 nan 8.270 nan 0.000 0.755 590 W N 1.905 123.274 121.300 0.115 0.000 2.253 590 W HA 0.253 4.915 4.660 0.003 0.000 0.322 590 W C 1.275 177.674 176.519 -0.199 0.000 1.342 590 W CA 0.199 57.546 57.345 0.004 0.000 1.218 590 W CB 0.552 30.004 29.460 -0.015 0.000 1.205 590 W HN 0.119 nan 8.180 nan 0.000 0.551 591 S N 3.515 118.731 115.700 -0.808 0.000 2.489 591 S HA 0.123 4.595 4.470 0.004 0.000 0.228 591 S C 1.582 175.350 174.600 -1.386 0.000 0.995 591 S CA 0.810 58.145 58.200 -1.442 0.000 0.934 591 S CB -0.366 62.251 63.200 -0.971 0.000 0.771 591 S HN 1.718 nan 8.310 nan 0.000 0.522 592 G N 0.622 108.058 108.800 -2.274 0.000 2.176 592 G HA2 -0.170 3.792 3.960 0.004 0.000 0.232 592 G HA3 -0.170 3.792 3.960 0.004 0.000 0.232 592 G C -0.442 173.832 174.900 -1.044 0.000 0.986 592 G CA 0.090 43.871 45.100 -2.197 0.000 0.643 592 G HN 0.564 nan 8.290 nan 0.000 0.522 593 D N 1.106 121.133 120.400 -0.622 0.000 2.210 593 D HA 0.561 5.204 4.640 0.004 0.000 0.249 593 D C 0.723 177.152 176.300 0.214 0.000 1.078 593 D CA 1.458 55.372 54.000 -0.143 0.000 0.875 593 D CB 1.363 42.092 40.800 -0.119 0.000 1.175 593 D HN 1.368 nan 8.370 nan 0.000 0.440 594 G N 0.088 109.000 108.800 0.187 0.000 2.428 594 G HA2 -0.076 3.886 3.960 0.004 0.000 0.681 594 G HA3 -0.076 3.886 3.960 0.004 0.000 0.681 594 G C -1.019 173.976 174.900 0.158 0.000 1.340 594 G CA -0.981 44.243 45.100 0.206 0.000 0.915 594 G HN 0.331 nan 8.290 nan 0.000 0.645 595 V N 2.259 122.203 119.914 0.049 0.000 2.258 595 V HA 0.610 4.732 4.120 0.004 0.000 0.258 595 V C 0.795 176.829 176.094 -0.099 0.000 1.121 595 V CA 0.488 62.779 62.300 -0.016 0.000 0.942 595 V CB -0.384 31.430 31.823 -0.016 0.000 1.170 595 V HN 1.001 nan 8.190 nan 0.000 0.487 596 R N 2.352 122.738 120.500 -0.189 0.000 2.817 596 R HA 0.868 5.211 4.340 0.004 0.000 0.268 596 R C 0.485 176.471 176.300 -0.524 0.000 1.027 596 R CA -0.118 55.772 56.100 -0.349 0.000 0.928 596 R CB 1.222 31.229 30.300 -0.488 0.000 1.228 596 R HN 0.721 nan 8.270 nan 0.000 0.469 597 G N 1.091 109.476 108.800 -0.692 0.000 2.574 597 G HA2 -0.434 3.529 3.960 0.004 0.000 0.282 597 G HA3 -0.434 3.529 3.960 0.004 0.000 0.282 597 G C 0.550 174.356 174.900 -1.824 0.000 1.257 597 G CA 0.830 45.233 45.100 -1.161 0.000 0.956 597 G HN 0.803 nan 8.290 nan 0.000 0.560 598 M N 0.308 119.041 119.600 -1.445 0.000 2.144 598 M HA -0.049 4.433 4.480 0.004 0.000 0.260 598 M C 2.409 178.440 176.300 -0.447 0.000 1.067 598 M CA 2.878 57.648 55.300 -0.883 0.000 1.095 598 M CB -0.384 31.993 32.600 -0.372 0.000 1.365 598 M HN 0.631 nan 8.290 nan 0.000 0.406 599 R N -0.435 119.860 120.500 -0.343 0.000 2.092 599 R HA -0.173 4.169 4.340 0.004 0.000 0.231 599 R C 2.218 178.418 176.300 -0.165 0.000 1.119 599 R CA 1.846 57.846 56.100 -0.166 0.000 0.970 599 R CB -0.334 29.924 30.300 -0.070 0.000 0.864 599 R HN 0.667 nan 8.270 nan 0.000 0.440 600 E N -0.415 119.612 120.200 -0.287 0.000 2.046 600 E HA -0.168 4.184 4.350 0.004 0.000 0.190 600 E C 1.381 177.986 176.600 0.008 0.000 0.982 600 E CA 1.030 57.338 56.400 -0.154 0.000 0.800 600 E CB -0.086 29.507 29.700 -0.178 0.000 0.756 600 E HN 0.403 nan 8.360 nan 0.000 0.449 601 W N 0.788 122.038 121.300 -0.084 0.000 2.363 601 W HA -0.081 4.582 4.660 0.004 0.000 0.296 601 W C 2.109 178.590 176.519 -0.063 0.000 1.212 601 W CA 0.293 57.587 57.345 -0.084 0.000 1.260 601 W CB -0.907 28.482 29.460 -0.119 0.000 1.131 601 W HN 0.170 nan 8.180 nan 0.000 0.530 602 I N -0.025 120.615 120.570 0.115 0.000 2.315 602 I HA -0.097 4.076 4.170 0.004 0.000 0.248 602 I C 2.104 178.240 176.117 0.032 0.000 1.117 602 I CA 1.367 62.696 61.300 0.048 0.000 1.404 602 I CB -1.064 36.932 38.000 -0.006 0.000 1.071 602 I HN 0.083 nan 8.210 nan 0.000 0.419 603 G N 2.328 111.144 108.800 0.025 0.000 2.596 603 G HA2 -0.426 3.537 3.960 0.004 0.000 0.295 603 G HA3 -0.426 3.537 3.960 0.004 0.000 0.295 603 G C 0.401 175.305 174.900 0.007 0.000 1.240 603 G CA 0.706 45.817 45.100 0.019 0.000 0.985 603 G HN 0.538 nan 8.290 nan 0.000 0.555 604 D N 0.900 121.306 120.400 0.010 0.000 2.328 604 D HA 0.392 5.034 4.640 0.004 0.000 0.226 604 D C 1.818 178.119 176.300 0.002 0.000 1.066 604 D CA 1.174 55.177 54.000 0.005 0.000 0.861 604 D CB -0.377 40.428 40.800 0.008 0.000 0.912 604 D HN 2.143 nan 8.370 nan 0.000 0.521 605 G N 0.250 109.051 108.800 0.002 0.000 2.184 605 G HA2 -0.377 3.586 3.960 0.004 0.000 0.264 605 G HA3 -0.377 3.586 3.960 0.004 0.000 0.264 605 G C 1.162 176.065 174.900 0.004 0.000 0.975 605 G CA 0.845 45.941 45.100 -0.007 0.000 0.642 605 G HN 0.741 nan 8.290 nan 0.000 0.536 606 S N -0.452 115.256 115.700 0.013 0.000 2.558 606 S HA 0.336 4.808 4.470 0.004 0.000 0.217 606 S C 0.659 175.276 174.600 0.028 0.000 0.975 606 S CA 0.776 58.988 58.200 0.021 0.000 0.912 606 S CB 0.371 63.584 63.200 0.020 0.000 0.776 606 S HN 0.597 nan 8.310 nan 0.000 0.526 607 E N 2.518 122.736 120.200 0.030 0.000 2.398 607 E HA 0.236 4.589 4.350 0.004 0.000 0.263 607 E C -0.149 176.477 176.600 0.044 0.000 1.046 607 E CA -0.316 56.105 56.400 0.035 0.000 0.908 607 E CB 0.247 29.968 29.700 0.036 0.000 0.963 607 E HN 0.437 nan 8.360 nan 0.000 0.431 608 N N 2.219 120.946 118.700 0.046 0.000 2.513 608 N HA 0.034 4.777 4.740 0.004 0.000 0.268 608 N C -0.098 175.450 175.510 0.064 0.000 1.180 608 N CA 0.139 53.222 53.050 0.056 0.000 0.948 608 N CB 0.396 38.913 38.487 0.049 0.000 1.083 608 N HN 0.586 nan 8.380 nan 0.000 0.455 609 I N -1.605 119.015 120.570 0.084 0.000 3.966 609 I HA 0.416 4.588 4.170 0.004 0.000 0.324 609 I C -0.458 175.715 176.117 0.093 0.000 1.517 609 I CA -0.526 60.832 61.300 0.098 0.000 1.117 609 I CB 0.239 38.317 38.000 0.130 0.000 1.190 609 I HN 0.275 nan 8.210 nan 0.000 0.466 610 D N 2.658 123.102 120.400 0.074 0.000 2.373 610 D HA 0.242 4.884 4.640 0.004 0.000 0.227 610 D C 0.195 176.501 176.300 0.010 0.000 1.091 610 D CA 0.036 54.064 54.000 0.046 0.000 0.840 610 D CB 0.434 41.280 40.800 0.077 0.000 1.060 610 D HN 0.381 nan 8.370 nan 0.000 0.502 611 N N 3.181 121.855 118.700 -0.043 0.000 2.726 611 N HA -0.193 4.549 4.740 0.004 0.000 0.253 611 N C -1.028 174.473 175.510 -0.014 0.000 1.059 611 N CA 0.896 53.919 53.050 -0.045 0.000 0.701 611 N CB -0.728 37.747 38.487 -0.020 0.000 0.899 611 N HN 0.576 nan 8.380 nan 0.000 0.548 612 T N -2.351 112.199 114.554 -0.008 0.000 2.598 612 T HA 0.305 4.657 4.350 0.004 0.000 0.289 612 T C -1.351 173.355 174.700 0.010 0.000 1.056 612 T CA -0.864 61.242 62.100 0.010 0.000 1.088 612 T CB 0.947 69.835 68.868 0.033 0.000 1.519 612 T HN -0.047 nan 8.240 nan 0.000 0.488 613 D N 1.564 121.981 120.400 0.028 0.000 2.280 613 D HA 0.568 5.211 4.640 0.004 0.000 0.243 613 D C -0.021 176.345 176.300 0.109 0.000 1.129 613 D CA -0.274 53.743 54.000 0.028 0.000 0.848 613 D CB 0.760 41.558 40.800 -0.002 0.000 1.107 613 D HN 0.682 nan 8.370 nan 0.000 0.471 614 I N -1.814 118.822 120.570 0.110 0.000 3.108 614 I HA 0.601 4.774 4.170 0.004 0.000 0.312 614 I C -1.203 175.016 176.117 0.170 0.000 1.095 614 I CA -1.152 60.236 61.300 0.146 0.000 1.000 614 I CB 2.045 40.130 38.000 0.142 0.000 1.229 614 I HN 0.016 nan 8.210 nan 0.000 0.454 615 L N 2.851 124.176 121.223 0.170 0.000 2.381 615 L HA 0.478 4.821 4.340 0.004 0.000 0.274 615 L C -1.490 175.499 176.870 0.197 0.000 0.988 615 L CA -0.470 54.446 54.840 0.126 0.000 0.824 615 L CB 2.245 44.377 42.059 0.121 0.000 1.263 615 L HN 0.529 nan 8.230 nan 0.000 0.410 616 F N 3.974 123.872 119.950 -0.088 0.000 2.375 616 F HA 0.521 5.050 4.527 0.004 0.000 0.361 616 F C -0.986 174.731 175.800 -0.137 0.000 1.117 616 F CA -0.694 57.299 58.000 -0.011 0.000 1.037 616 F CB 0.666 39.656 39.000 -0.016 0.000 1.192 616 F HN 0.112 nan 8.300 nan 0.000 0.452 617 F N 5.454 125.456 119.950 0.086 0.000 2.388 617 F HA 0.273 4.802 4.527 0.004 0.000 0.358 617 F C -0.184 175.713 175.800 0.162 0.000 1.122 617 F CA -0.680 57.409 58.000 0.149 0.000 1.056 617 F CB 0.696 39.766 39.000 0.116 0.000 1.155 617 F HN 0.426 nan 8.300 nan 0.000 0.461 618 H N 1.652 120.909 119.070 0.312 0.000 2.476 618 H HA 0.466 5.025 4.556 0.004 0.000 0.328 618 H C -0.783 174.766 175.328 0.368 0.000 1.073 618 H CA -0.585 55.623 56.048 0.266 0.000 1.229 618 H CB 1.151 31.084 29.762 0.286 0.000 1.432 618 H HN 0.509 nan 8.280 nan 0.000 0.477 619 T N 7.551 122.098 114.554 -0.012 0.000 2.749 619 T HA 0.422 4.774 4.350 0.004 0.000 0.287 619 T C -0.860 173.742 174.700 -0.163 0.000 0.970 619 T CA -0.367 61.776 62.100 0.072 0.000 0.980 619 T CB -0.287 68.726 68.868 0.242 0.000 0.924 619 T HN 0.496 nan 8.240 nan 0.000 0.456 620 F N 0.325 120.187 119.950 -0.147 0.000 2.664 620 F HA 0.969 5.499 4.527 0.004 0.000 0.317 620 F C 0.140 176.071 175.800 0.219 0.000 1.108 620 F CA -0.867 57.097 58.000 -0.059 0.000 0.957 620 F CB 1.130 40.057 39.000 -0.122 0.000 1.365 620 F HN 0.875 nan 8.300 nan 0.000 0.475 621 G N 0.330 109.253 108.800 0.205 0.000 2.356 621 G HA2 0.426 4.389 3.960 0.004 0.000 0.266 621 G HA3 0.426 4.389 3.960 0.004 0.000 0.266 621 G C -1.996 173.020 174.900 0.193 0.000 1.312 621 G CA -0.344 44.892 45.100 0.226 0.000 0.922 621 G HN 1.545 nan 8.290 nan 0.000 0.480 622 I N -2.964 117.702 120.570 0.161 0.000 3.074 622 I HA 0.847 5.019 4.170 0.004 0.000 0.310 622 I C -0.836 175.295 176.117 0.022 0.000 1.153 622 I CA -1.035 60.316 61.300 0.086 0.000 0.993 622 I CB 2.316 40.343 38.000 0.044 0.000 1.237 622 I HN 0.444 nan 8.210 nan 0.000 0.443 623 T N 1.415 115.945 114.554 -0.039 0.000 2.788 623 T HA 0.286 4.638 4.350 0.004 0.000 0.296 623 T C -0.723 173.804 174.700 -0.289 0.000 1.009 623 T CA -0.064 61.912 62.100 -0.206 0.000 0.949 623 T CB -0.266 68.492 68.868 -0.183 0.000 0.946 623 T HN 0.569 nan 8.240 nan 0.000 0.453 624 H N 3.336 122.072 119.070 -0.557 0.000 2.705 624 H HA 0.328 4.886 4.556 0.004 0.000 0.291 624 H C -0.958 173.976 175.328 -0.656 0.000 1.085 624 H CA -0.920 54.817 56.048 -0.518 0.000 1.357 624 H CB 0.182 29.633 29.762 -0.520 0.000 1.419 624 H HN 0.405 nan 8.280 nan 0.000 0.462 625 F N 6.871 126.902 119.950 0.135 0.000 2.293 625 F HA 0.266 4.795 4.527 0.004 0.000 0.370 625 F C -1.868 173.984 175.800 0.087 0.000 1.090 625 F CA -2.554 55.475 58.000 0.049 0.000 1.133 625 F CB 0.705 39.740 39.000 0.058 0.000 1.360 625 F HN 0.548 nan 8.300 nan 0.000 0.489 626 P HA 0.248 nan 4.420 nan 0.000 0.267 626 P C -0.753 176.642 177.300 0.158 0.000 1.195 626 P CA 0.033 63.184 63.100 0.086 0.000 0.773 626 P CB 0.752 32.473 31.700 0.036 0.000 0.837 627 A N 3.397 126.315 122.820 0.163 0.000 2.587 627 A HA 0.579 4.901 4.320 0.004 0.000 0.293 627 A C -2.188 175.477 177.584 0.136 0.000 1.087 627 A CA -1.343 50.774 52.037 0.133 0.000 0.692 627 A CB 0.816 19.897 19.000 0.135 0.000 1.291 627 A HN 0.236 nan 8.150 nan 0.000 0.407 628 P HA -0.185 nan 4.420 nan 0.000 0.217 628 P C 0.822 178.228 177.300 0.177 0.000 1.148 628 P CA 1.705 64.894 63.100 0.149 0.000 0.834 628 P CB 0.279 32.051 31.700 0.119 0.000 0.783 629 E N -0.652 119.631 120.200 0.139 0.000 2.209 629 E HA -0.176 4.176 4.350 0.004 0.000 0.196 629 E C 1.371 178.052 176.600 0.135 0.000 0.993 629 E CA 1.157 57.629 56.400 0.120 0.000 0.819 629 E CB -0.778 28.978 29.700 0.094 0.000 0.745 629 E HN 0.373 nan 8.360 nan 0.000 0.477 630 D N -0.989 119.522 120.400 0.186 0.000 2.363 630 D HA -0.025 4.617 4.640 0.004 0.000 0.220 630 D C -0.149 176.293 176.300 0.236 0.000 0.994 630 D CA 0.417 54.543 54.000 0.209 0.000 0.890 630 D CB 0.090 41.068 40.800 0.297 0.000 0.906 630 D HN 0.075 nan 8.370 nan 0.000 0.530 631 F N 1.160 121.138 119.950 0.047 0.000 2.538 631 F HA 0.308 4.837 4.527 0.003 0.000 0.325 631 F C -1.677 174.138 175.800 0.025 0.000 1.066 631 F CA -2.355 55.660 58.000 0.025 0.000 0.946 631 F CB 2.122 41.147 39.000 0.041 0.000 1.199 631 F HN -0.314 nan 8.300 nan 0.000 0.473 632 P HA 0.050 nan 4.420 nan 0.000 0.240 632 P C -0.418 176.519 177.300 -0.606 0.000 1.190 632 P CA 0.891 63.196 63.100 -1.325 0.000 0.781 632 P CB 1.087 32.234 31.700 -0.920 0.000 0.931 633 L N 0.516 121.510 121.223 -0.382 0.000 2.409 633 L HA 0.475 4.818 4.340 0.004 0.000 0.272 633 L C -0.402 176.332 176.870 -0.225 0.000 0.980 633 L CA -1.135 53.429 54.840 -0.459 0.000 0.826 633 L CB 2.646 44.210 42.059 -0.824 0.000 1.268 633 L HN -0.145 nan 8.230 nan 0.000 0.407 634 M N 6.650 126.167 119.600 -0.138 0.000 2.180 634 M HA 0.445 4.927 4.480 0.004 0.000 0.358 634 M C -2.346 173.918 176.300 -0.060 0.000 1.233 634 M CA -1.202 54.082 55.300 -0.027 0.000 1.114 634 M CB 1.363 34.018 32.600 0.091 0.000 1.594 634 M HN 0.260 nan 8.290 nan 0.000 0.467 635 P HA 0.117 nan 4.420 nan 0.000 0.271 635 P C -1.170 176.096 177.300 -0.057 0.000 1.216 635 P CA -0.086 62.985 63.100 -0.049 0.000 0.771 635 P CB 0.634 32.319 31.700 -0.024 0.000 0.864 636 A N 2.895 125.672 122.820 -0.071 0.000 2.566 636 A HA -0.031 4.291 4.320 0.004 0.000 0.245 636 A C 0.436 177.966 177.584 -0.091 0.000 1.056 636 A CA 0.441 52.427 52.037 -0.085 0.000 0.757 636 A CB -0.589 18.369 19.000 -0.070 0.000 0.979 636 A HN 0.577 nan 8.150 nan 0.000 0.508 637 E N 3.921 124.045 120.200 -0.127 0.000 2.156 637 E HA 0.435 4.787 4.350 0.004 0.000 0.279 637 E C -2.482 174.042 176.600 -0.127 0.000 0.965 637 E CA -2.257 54.063 56.400 -0.134 0.000 0.789 637 E CB 1.458 31.037 29.700 -0.203 0.000 1.098 637 E HN 0.536 nan 8.360 nan 0.000 0.397 638 P HA 0.314 nan 4.420 nan 0.000 0.282 638 P C -0.721 176.536 177.300 -0.070 0.000 1.249 638 P CA -0.220 62.829 63.100 -0.085 0.000 0.806 638 P CB 1.248 32.901 31.700 -0.078 0.000 0.984 639 I N 0.765 121.294 120.570 -0.069 0.000 2.656 639 I HA 0.462 4.635 4.170 0.004 0.000 0.292 639 I C -0.168 175.899 176.117 -0.083 0.000 1.144 639 I CA -0.452 60.828 61.300 -0.033 0.000 1.038 639 I CB 2.602 40.605 38.000 0.005 0.000 1.244 639 I HN 0.307 nan 8.210 nan 0.000 0.420 640 T N 6.678 121.173 114.554 -0.099 0.000 2.853 640 T HA 0.744 5.096 4.350 0.004 0.000 0.311 640 T C -1.945 172.613 174.700 -0.236 0.000 1.307 640 T CA -0.542 61.444 62.100 -0.190 0.000 1.019 640 T CB 1.790 70.570 68.868 -0.146 0.000 1.264 640 T HN 0.646 nan 8.240 nan 0.000 0.497 641 L N 3.194 124.230 121.223 -0.312 0.000 2.582 641 L HA 0.882 5.224 4.340 0.004 0.000 0.257 641 L C -1.771 174.964 176.870 -0.225 0.000 0.974 641 L CA -1.174 53.500 54.840 -0.276 0.000 0.851 641 L CB 2.142 43.935 42.059 -0.442 0.000 1.424 641 L HN 1.025 nan 8.230 nan 0.000 0.412 642 M N 2.267 121.783 119.600 -0.140 0.000 2.569 642 M HA 0.675 5.157 4.480 0.004 0.000 0.279 642 M C -2.329 173.950 176.300 -0.034 0.000 1.253 642 M CA -0.759 54.483 55.300 -0.097 0.000 0.867 642 M CB 2.718 35.278 32.600 -0.066 0.000 1.727 642 M HN 0.607 nan 8.290 nan 0.000 0.467 643 L N 2.681 123.924 121.223 0.034 0.000 2.342 643 L HA 0.625 4.967 4.340 0.004 0.000 0.276 643 L C -0.763 176.227 176.870 0.201 0.000 0.997 643 L CA -0.519 54.421 54.840 0.168 0.000 0.838 643 L CB 1.778 44.017 42.059 0.299 0.000 1.224 643 L HN 0.748 nan 8.230 nan 0.000 0.416 644 R N 3.989 124.496 120.500 0.011 0.000 2.532 644 R HA 0.539 4.881 4.340 0.004 0.000 0.295 644 R C -2.615 173.298 176.300 -0.646 0.000 0.968 644 R CA -1.934 54.051 56.100 -0.192 0.000 0.916 644 R CB 1.216 31.454 30.300 -0.103 0.000 1.124 644 R HN 0.268 nan 8.270 nan 0.000 0.463 645 P HA 0.174 nan 4.420 nan 0.000 0.281 645 P C -0.988 176.086 177.300 -0.378 0.000 1.252 645 P CA -0.370 62.080 63.100 -1.084 0.000 0.778 645 P CB 1.006 32.245 31.700 -0.769 0.000 0.895 646 R N 2.999 123.361 120.500 -0.230 0.000 2.510 646 R HA 0.265 4.608 4.340 0.004 0.000 0.294 646 R C 0.408 176.695 176.300 -0.022 0.000 1.056 646 R CA -0.616 55.391 56.100 -0.156 0.000 0.918 646 R CB 0.263 30.527 30.300 -0.060 0.000 1.187 646 R HN 0.690 nan 8.270 nan 0.000 0.437 647 H N 0.864 119.947 119.070 0.020 0.000 3.237 647 H HA -0.215 4.344 4.556 0.004 0.000 0.231 647 H C 0.678 175.999 175.328 -0.010 0.000 1.148 647 H CA 1.220 57.276 56.048 0.013 0.000 1.155 647 H CB -1.211 28.549 29.762 -0.003 0.000 1.210 647 H HN 0.542 nan 8.280 nan 0.000 0.317 648 F N 0.546 120.403 119.950 -0.156 0.000 2.179 648 F HA 0.158 4.687 4.527 0.004 0.000 0.292 648 F C 1.004 176.530 175.800 -0.458 0.000 1.089 648 F CA 0.714 58.505 58.000 -0.347 0.000 1.295 648 F CB 0.217 38.870 39.000 -0.578 0.000 1.041 648 F HN -0.063 nan 8.300 nan 0.000 0.487 649 F N -0.316 119.698 119.950 0.106 0.000 2.457 649 F HA 0.259 4.788 4.527 0.004 0.000 0.330 649 F C 1.630 177.399 175.800 -0.050 0.000 1.069 649 F CA -0.270 57.733 58.000 0.004 0.000 1.009 649 F CB 0.600 39.612 39.000 0.022 0.000 1.276 649 F HN -0.232 nan 8.300 nan 0.000 0.492 650 T N -2.974 111.660 114.554 0.133 0.000 3.086 650 T HA 0.280 4.633 4.350 0.004 0.000 0.250 650 T C -0.257 174.528 174.700 0.141 0.000 1.074 650 T CA 0.161 62.253 62.100 -0.015 0.000 0.988 650 T CB -0.698 67.965 68.868 -0.341 0.000 0.988 650 T HN 0.732 nan 8.240 nan 0.000 0.530 651 E N -0.197 120.084 120.200 0.135 0.000 2.398 651 E HA 0.200 4.552 4.350 0.004 0.000 0.280 651 E C -1.392 175.199 176.600 -0.015 0.000 1.122 651 E CA -1.196 55.247 56.400 0.072 0.000 0.873 651 E CB -0.245 29.494 29.700 0.066 0.000 1.294 651 E HN -0.127 nan 8.360 nan 0.000 0.435 652 N N 2.475 121.130 118.700 -0.076 0.000 2.160 652 N HA -0.060 4.683 4.740 0.004 0.000 0.283 652 N C -1.195 174.206 175.510 -0.181 0.000 1.363 652 N CA -0.555 52.407 53.050 -0.145 0.000 0.848 652 N CB 0.608 38.956 38.487 -0.232 0.000 1.127 652 N HN 0.438 nan 8.380 nan 0.000 0.493 653 P HA -0.005 nan 4.420 nan 0.000 0.230 653 P C 0.754 177.958 177.300 -0.160 0.000 1.158 653 P CA 0.752 63.584 63.100 -0.447 0.000 0.769 653 P CB 0.092 31.081 31.700 -1.186 0.000 0.807 654 G N -0.322 108.462 108.800 -0.026 0.000 3.337 654 G HA2 0.106 4.068 3.960 0.004 0.000 0.246 654 G HA3 0.106 4.068 3.960 0.004 0.000 0.246 654 G C 1.262 176.314 174.900 0.253 0.000 1.131 654 G CA -0.197 44.988 45.100 0.141 0.000 0.773 654 G HN 0.173 nan 8.290 nan 0.000 0.544 655 L N 0.951 122.233 121.223 0.098 0.000 2.275 655 L HA 0.003 4.345 4.340 0.004 0.000 0.215 655 L C 1.873 178.814 176.870 0.119 0.000 1.119 655 L CA 0.978 55.866 54.840 0.080 0.000 0.790 655 L CB -0.054 41.965 42.059 -0.067 0.000 0.919 655 L HN 0.273 nan 8.230 nan 0.000 0.443 656 D N -0.072 120.394 120.400 0.110 0.000 2.319 656 D HA 0.038 4.680 4.640 0.004 0.000 0.230 656 D C 0.586 176.928 176.300 0.071 0.000 1.094 656 D CA 0.016 54.073 54.000 0.094 0.000 0.856 656 D CB -0.132 40.753 40.800 0.142 0.000 0.915 656 D HN 0.229 nan 8.370 nan 0.000 0.517 657 I N 1.523 122.148 120.570 0.091 0.000 2.395 657 I HA 0.014 4.186 4.170 0.004 0.000 0.289 657 I C 0.636 176.784 176.117 0.051 0.000 1.023 657 I CA -0.746 60.582 61.300 0.046 0.000 1.350 657 I CB 1.034 39.051 38.000 0.028 0.000 1.409 657 I HN -0.255 nan 8.210 nan 0.000 0.507 658 Q N 6.840 126.653 119.800 0.021 0.000 2.262 658 Q HA 0.087 4.430 4.340 0.004 0.000 0.298 658 Q C -2.145 173.866 176.000 0.019 0.000 1.083 658 Q CA -1.091 54.724 55.803 0.020 0.000 0.962 658 Q CB -0.078 28.664 28.738 0.007 0.000 1.104 658 Q HN 0.311 nan 8.270 nan 0.000 0.376 659 P HA -0.041 nan 4.420 nan 0.000 0.269 659 P C 0.530 177.846 177.300 0.028 0.000 1.215 659 P CA 0.089 63.212 63.100 0.038 0.000 0.780 659 P CB 0.638 32.372 31.700 0.056 0.000 0.898 660 S N 0.662 116.386 115.700 0.040 0.000 2.501 660 S HA 0.046 4.518 4.470 0.004 0.000 0.220 660 S C 0.012 174.703 174.600 0.152 0.000 0.997 660 S CA 0.425 58.664 58.200 0.064 0.000 0.919 660 S CB -0.469 62.757 63.200 0.043 0.000 0.778 660 S HN 0.535 nan 8.310 nan 0.000 0.523 661 Y N 0.123 120.428 120.300 0.007 0.000 2.480 661 Y HA 0.569 5.121 4.550 0.004 0.000 0.329 661 Y C -1.480 174.438 175.900 0.029 0.000 1.127 661 Y CA -0.742 57.367 58.100 0.015 0.000 1.037 661 Y CB 1.278 39.744 38.460 0.011 0.000 1.320 661 Y HN 0.248 nan 8.280 nan 0.000 0.446 662 A N 5.932 128.319 122.820 -0.722 0.000 2.491 662 A HA 0.724 5.046 4.320 0.004 0.000 0.293 662 A C -2.052 175.217 177.584 -0.524 0.000 1.047 662 A CA -0.425 51.356 52.037 -0.426 0.000 0.735 662 A CB 1.272 20.174 19.000 -0.162 0.000 1.281 662 A HN 0.723 nan 8.150 nan 0.000 0.398 663 M N 2.165 121.576 119.600 -0.314 0.000 2.213 663 M HA 0.494 4.977 4.480 0.004 0.000 0.286 663 M C -0.196 176.071 176.300 -0.055 0.000 1.008 663 M CA 0.272 55.466 55.300 -0.176 0.000 0.937 663 M CB 2.040 34.588 32.600 -0.087 0.000 1.600 663 M HN 0.680 nan 8.290 nan 0.000 0.450 664 T N 2.363 116.887 114.554 -0.049 0.000 2.868 664 T HA 0.200 4.552 4.350 0.004 0.000 0.292 664 T C 1.111 175.803 174.700 -0.013 0.000 1.028 664 T CA 0.028 62.114 62.100 -0.023 0.000 1.059 664 T CB 1.021 69.872 68.868 -0.027 0.000 0.991 664 T HN 0.836 nan 8.240 nan 0.000 0.531 665 T N 2.003 116.550 114.554 -0.012 0.000 2.684 665 T HA -0.143 4.210 4.350 0.004 0.000 0.267 665 T C 2.345 177.034 174.700 -0.018 0.000 1.036 665 T CA 1.912 64.002 62.100 -0.017 0.000 1.148 665 T CB -0.485 68.367 68.868 -0.026 0.000 0.863 665 T HN 0.784 nan 8.240 nan 0.000 0.436 666 S N 1.332 117.021 115.700 -0.018 0.000 2.399 666 S HA -0.117 4.356 4.470 0.004 0.000 0.231 666 S C 1.862 176.453 174.600 -0.015 0.000 1.022 666 S CA 1.213 59.403 58.200 -0.017 0.000 0.983 666 S CB -0.405 62.785 63.200 -0.017 0.000 0.803 666 S HN 0.577 nan 8.310 nan 0.000 0.480 667 E N 1.592 121.782 120.200 -0.017 0.000 2.072 667 E HA 0.046 4.398 4.350 0.004 0.000 0.191 667 E C 2.472 179.068 176.600 -0.007 0.000 0.985 667 E CA 0.930 57.320 56.400 -0.016 0.000 0.801 667 E CB -0.428 29.254 29.700 -0.029 0.000 0.750 667 E HN 0.694 nan 8.360 nan 0.000 0.452 668 A N 1.660 124.479 122.820 -0.002 0.000 1.940 668 A HA -0.240 4.082 4.320 0.004 0.000 0.219 668 A C 1.918 179.504 177.584 0.003 0.000 1.176 668 A CA 1.458 53.502 52.037 0.010 0.000 0.631 668 A CB -0.284 18.725 19.000 0.014 0.000 0.814 668 A HN 0.047 nan 8.150 nan 0.000 0.446 669 K N -0.572 119.824 120.400 -0.006 0.000 2.001 669 K HA -0.181 4.142 4.320 0.004 0.000 0.208 669 K C 2.343 178.940 176.600 -0.005 0.000 1.048 669 K CA 1.605 57.887 56.287 -0.009 0.000 0.932 669 K CB -0.279 32.212 32.500 -0.014 0.000 0.715 669 K HN 0.660 nan 8.250 nan 0.000 0.437 670 R N 1.165 121.662 120.500 -0.006 0.000 2.148 670 R HA -0.012 4.330 4.340 0.004 0.000 0.227 670 R C 1.866 178.166 176.300 0.000 0.000 1.103 670 R CA 1.277 57.374 56.100 -0.004 0.000 0.983 670 R CB -0.285 30.011 30.300 -0.006 0.000 0.874 670 R HN 0.078 nan 8.270 nan 0.000 0.451 671 A N 0.951 123.774 122.820 0.004 0.000 2.248 671 A HA 0.231 4.553 4.320 0.004 0.000 0.210 671 A C 0.310 177.901 177.584 0.011 0.000 1.174 671 A CA 0.766 52.809 52.037 0.010 0.000 0.750 671 A CB -0.160 18.852 19.000 0.020 0.000 0.780 671 A HN 0.267 nan 8.150 nan 0.000 0.478 672 V N 0.000 119.918 119.914 0.006 0.000 2.409 672 V HA 0.000 4.122 4.120 0.004 0.000 0.244 672 V CA 0.000 62.303 62.300 0.004 0.000 1.235 672 V CB 0.000 31.827 31.823 0.007 0.000 1.184 672 V HN 0.000 nan 8.190 nan 0.000 0.556