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 2zwa_1_A DATA FIRST_RESID 16 DATA SEQUENCE QERRKKYADL AIQGTNNSSI ASKRSVELLY LPKLSSANNF QMDKNNKLLE DATA SEQUENCE YFKFFVPKKI KRSPCINRGY WLRLFAIRSR LNSIIEQTPQ DKKIVVVNLG DATA SEQUENCE CGYDPLPFQL LDTNNIQSQQ YHDRVSFIDI DYSDLLKIKI ELIKTIPELS DATA SEQUENCE KIIGLSEDKD YVDDSNVDFL TTPKYLARPC DLNDSKMFST LLNECQLYDP DATA SEQUENCE NVVKVFVAEV SLAYMKPERS DSIIEATSKM ENSHFIILEQ LIPKGPFEPF DATA SEQUENCE SKQMLAHFKR NDSPLQSVLK YNTIESQVQR FNKLGFAYVN VGDMFQLWES DATA SEQUENCE ADEATKKELL KVEPFDELEE FHLFCHHYVL CHATNYKEFA FTQGFLFDRX DATA SEQUENCE XXXINLTVDE DYQLLECECP INRKFGDVDV AGNDVFYMGG SNPYRVNEIL DATA SEQUENCE QLSIHYDKID MKNIEVSSSE VPVARMCHTF TTISRNNQLL LIGGRKAPHQ DATA SEQUENCE GLSDNWIFDM KTREWSMIKS LSHTRFRHSA CSLPDGNVLI LGGVTEGPAM DATA SEQUENCE LLYNVTEEIF KDVTPKDEFF QNSLVSAGLE FDPVSKQGII LGGGFMDQTT DATA SEQUENCE VSDKAIIFKY DAENATEPIT VIKKLQHPLF QRYGSQIKYI TPRKLLIVGG DATA SEQUENCE TSPSGLFDRT NSIISLDPLS ETLTSIPISR RIWEDHSLML AGFSLVSTXX DATA SEQUENCE XTIHIIGGGA TCYGFGSVTN VGLKLIAIA 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 16 Q HA 0.000 nan 4.340 nan 0.000 0.214 16 Q C 0.000 176.017 176.000 0.028 0.000 1.003 16 Q CA 0.000 55.814 55.803 0.018 0.000 1.022 16 Q CB 0.000 28.748 28.738 0.016 0.000 1.108 17 E N 1.605 121.822 120.200 0.028 0.000 2.285 17 E HA 0.030 4.379 4.350 -0.001 0.000 0.194 17 E C 1.785 178.410 176.600 0.041 0.000 0.997 17 E CA 0.413 56.835 56.400 0.036 0.000 0.845 17 E CB 0.170 29.890 29.700 0.033 0.000 0.782 17 E HN 0.142 nan 8.360 nan 0.000 0.491 18 R N 0.648 121.169 120.500 0.034 0.000 2.092 18 R HA -0.072 4.268 4.340 -0.001 0.000 0.231 18 R C 2.419 178.757 176.300 0.064 0.000 1.119 18 R CA 1.061 57.185 56.100 0.040 0.000 0.970 18 R CB -0.190 30.119 30.300 0.016 0.000 0.864 18 R HN 0.049 nan 8.270 nan 0.000 0.440 19 R N 1.541 122.071 120.500 0.050 0.000 2.073 19 R HA -0.172 4.167 4.340 -0.001 0.000 0.234 19 R C 2.211 178.578 176.300 0.112 0.000 1.134 19 R CA 1.832 57.976 56.100 0.073 0.000 0.952 19 R CB -0.094 30.232 30.300 0.043 0.000 0.850 19 R HN 0.046 nan 8.270 nan 0.000 0.433 20 K N 0.797 121.244 120.400 0.078 0.000 2.057 20 K HA -0.190 4.129 4.320 -0.001 0.000 0.206 20 K C 2.159 178.790 176.600 0.051 0.000 1.050 20 K CA 1.631 57.960 56.287 0.069 0.000 0.935 20 K CB -0.115 32.422 32.500 0.062 0.000 0.715 20 K HN 0.062 nan 8.250 nan 0.000 0.439 21 K N -0.113 120.318 120.400 0.051 0.000 2.057 21 K HA -0.230 4.089 4.320 -0.001 0.000 0.207 21 K C 2.175 178.779 176.600 0.005 0.000 1.049 21 K CA 1.642 57.938 56.287 0.016 0.000 0.931 21 K CB -0.340 32.181 32.500 0.034 0.000 0.714 21 K HN 0.272 nan 8.250 nan 0.000 0.440 22 Y N 0.818 121.091 120.300 -0.044 0.000 2.181 22 Y HA -0.194 4.355 4.550 -0.001 0.000 0.288 22 Y C 2.055 177.918 175.900 -0.062 0.000 1.146 22 Y CA 1.783 59.854 58.100 -0.049 0.000 1.164 22 Y CB -0.331 38.111 38.460 -0.031 0.000 0.982 22 Y HN 0.175 nan 8.280 nan 0.000 0.515 23 A N 0.184 123.003 122.820 -0.001 0.000 1.902 23 A HA -0.193 4.126 4.320 -0.001 0.000 0.217 23 A C 1.892 179.367 177.584 -0.182 0.000 1.181 23 A CA 2.017 54.007 52.037 -0.078 0.000 0.623 23 A CB -0.833 18.196 19.000 0.049 0.000 0.818 23 A HN 0.547 nan 8.150 nan 0.000 0.443 24 D N 0.062 120.351 120.400 -0.184 0.000 2.097 24 D HA -0.103 4.537 4.640 -0.001 0.000 0.195 24 D C 1.948 177.950 176.300 -0.498 0.000 0.989 24 D CA 1.081 54.858 54.000 -0.371 0.000 0.827 24 D CB -0.360 40.170 40.800 -0.450 0.000 0.966 24 D HN 0.447 nan 8.370 nan 0.000 0.456 25 L N 0.604 121.592 121.223 -0.392 0.000 2.093 25 L HA -0.106 4.234 4.340 -0.001 0.000 0.208 25 L C 2.505 179.170 176.870 -0.342 0.000 1.085 25 L CA 0.954 55.590 54.840 -0.342 0.000 0.755 25 L CB -0.381 41.530 42.059 -0.247 0.000 0.904 25 L HN -0.033 nan 8.230 nan 0.000 0.435 26 A N 0.328 122.885 122.820 -0.438 0.000 1.933 26 A HA -0.187 4.133 4.320 -0.001 0.000 0.218 26 A C 2.213 179.613 177.584 -0.306 0.000 1.175 26 A CA 1.584 53.381 52.037 -0.400 0.000 0.628 26 A CB -0.620 18.082 19.000 -0.497 0.000 0.814 26 A HN 0.366 nan 8.150 nan 0.000 0.444 27 I N -0.814 119.574 120.570 -0.303 0.000 2.286 27 I HA -0.276 3.893 4.170 -0.001 0.000 0.245 27 I C 2.717 178.684 176.117 -0.250 0.000 1.104 27 I CA 1.308 62.407 61.300 -0.335 0.000 1.397 27 I CB -0.372 37.515 38.000 -0.189 0.000 1.072 27 I HN 0.411 nan 8.210 nan 0.000 0.417 28 Q N 0.441 120.116 119.800 -0.207 0.000 2.181 28 Q HA -0.159 4.181 4.340 -0.001 0.000 0.205 28 Q C 2.286 178.196 176.000 -0.148 0.000 0.980 28 Q CA 1.536 57.256 55.803 -0.139 0.000 0.862 28 Q CB -0.405 28.230 28.738 -0.171 0.000 0.905 28 Q HN 0.636 nan 8.270 nan 0.000 0.429 29 G N 0.479 109.180 108.800 -0.165 0.000 2.509 29 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.218 29 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.218 29 G C 1.501 176.348 174.900 -0.089 0.000 1.124 29 G CA 1.251 46.277 45.100 -0.122 0.000 0.776 29 G HN 0.494 nan 8.290 nan 0.000 0.547 30 T N -0.520 113.969 114.554 -0.108 0.000 2.881 30 T HA -0.183 4.167 4.350 -0.001 0.000 0.270 30 T C 2.028 176.759 174.700 0.053 0.000 1.068 30 T CA 1.488 63.585 62.100 -0.005 0.000 1.131 30 T CB -0.374 68.471 68.868 -0.038 0.000 0.871 30 T HN 0.374 nan 8.240 nan 0.000 0.479 31 N N 2.073 120.759 118.700 -0.023 0.000 2.223 31 N HA -0.132 4.608 4.740 -0.001 0.000 0.185 31 N C 1.735 177.209 175.510 -0.060 0.000 1.016 31 N CA 1.353 54.370 53.050 -0.056 0.000 0.863 31 N CB -0.482 37.879 38.487 -0.210 0.000 0.983 31 N HN 0.370 nan 8.380 nan 0.000 0.429 32 N N -0.198 118.469 118.700 -0.055 0.000 2.104 32 N HA -0.159 4.581 4.740 -0.001 0.000 0.190 32 N C 1.665 177.195 175.510 0.033 0.000 1.024 32 N CA 1.232 54.287 53.050 0.010 0.000 0.853 32 N CB -0.754 37.744 38.487 0.018 0.000 1.008 32 N HN 0.325 nan 8.380 nan 0.000 0.424 33 S N 0.614 116.340 115.700 0.045 0.000 2.357 33 S HA -0.089 4.380 4.470 -0.001 0.000 0.221 33 S C 2.158 176.774 174.600 0.027 0.000 1.031 33 S CA 1.725 59.956 58.200 0.051 0.000 0.982 33 S CB -0.322 62.948 63.200 0.116 0.000 0.853 33 S HN 0.499 nan 8.310 nan 0.000 0.458 34 S N 0.957 116.724 115.700 0.112 0.000 2.383 34 S HA -0.035 4.434 4.470 -0.001 0.000 0.227 34 S C 1.840 176.438 174.600 -0.004 0.000 1.026 34 S CA 1.044 59.327 58.200 0.139 0.000 0.981 34 S CB -0.772 62.621 63.200 0.321 0.000 0.818 34 S HN 0.473 nan 8.310 nan 0.000 0.472 35 I N 2.546 123.146 120.570 0.050 0.000 2.315 35 I HA 0.014 4.184 4.170 -0.001 0.000 0.248 35 I C 2.570 178.685 176.117 -0.003 0.000 1.117 35 I CA 0.944 62.300 61.300 0.094 0.000 1.404 35 I CB -0.745 37.390 38.000 0.224 0.000 1.071 35 I HN 0.350 nan 8.210 nan 0.000 0.419 36 A N -0.996 121.803 122.820 -0.035 0.000 1.930 36 A HA -0.150 4.169 4.320 -0.001 0.000 0.217 36 A C 2.420 179.868 177.584 -0.226 0.000 1.175 36 A CA 1.941 53.931 52.037 -0.078 0.000 0.627 36 A CB -0.907 18.064 19.000 -0.049 0.000 0.815 36 A HN 0.443 nan 8.150 nan 0.000 0.443 37 S N -0.191 115.268 115.700 -0.401 0.000 2.383 37 S HA -0.111 4.358 4.470 -0.001 0.000 0.227 37 S C 1.896 176.095 174.600 -0.668 0.000 1.026 37 S CA 1.470 59.247 58.200 -0.705 0.000 0.981 37 S CB -0.172 62.142 63.200 -1.476 0.000 0.818 37 S HN 0.619 nan 8.310 nan 0.000 0.472 38 K N 0.901 120.942 120.400 -0.598 0.000 2.097 38 K HA -0.018 4.302 4.320 -0.001 0.000 0.205 38 K C 2.342 178.516 176.600 -0.710 0.000 1.050 38 K CA 0.949 56.833 56.287 -0.672 0.000 0.938 38 K CB -0.118 31.829 32.500 -0.921 0.000 0.718 38 K HN 0.028 nan 8.250 nan 0.000 0.442 39 R N 1.293 121.520 120.500 -0.455 0.000 2.096 39 R HA -0.089 4.250 4.340 -0.001 0.000 0.235 39 R C 2.194 178.425 176.300 -0.115 0.000 1.127 39 R CA 1.857 57.855 56.100 -0.170 0.000 0.968 39 R CB -0.869 29.428 30.300 -0.006 0.000 0.861 39 R HN 0.046 nan 8.270 nan 0.000 0.440 40 S N -0.862 114.744 115.700 -0.156 0.000 2.370 40 S HA -0.101 4.369 4.470 -0.001 0.000 0.226 40 S C 1.820 176.392 174.600 -0.046 0.000 1.033 40 S CA 1.527 59.667 58.200 -0.099 0.000 1.011 40 S CB -0.295 62.818 63.200 -0.145 0.000 0.852 40 S HN 0.217 nan 8.310 nan 0.000 0.457 41 V N 1.580 121.429 119.914 -0.108 0.000 2.427 41 V HA -0.111 4.008 4.120 -0.001 0.000 0.248 41 V C 2.497 178.675 176.094 0.140 0.000 1.051 41 V CA 2.121 64.408 62.300 -0.022 0.000 1.048 41 V CB -0.777 31.002 31.823 -0.074 0.000 0.666 41 V HN 0.613 nan 8.190 nan 0.000 0.456 42 E N 0.062 120.309 120.200 0.078 0.000 2.118 42 E HA -0.228 4.122 4.350 -0.001 0.000 0.195 42 E C 2.183 178.873 176.600 0.151 0.000 0.992 42 E CA 1.368 57.879 56.400 0.185 0.000 0.804 42 E CB -0.097 29.746 29.700 0.238 0.000 0.741 42 E HN 0.573 nan 8.360 nan 0.000 0.458 43 L N -0.059 121.223 121.223 0.098 0.000 2.072 43 L HA -0.116 4.224 4.340 -0.001 0.000 0.205 43 L C 2.397 179.322 176.870 0.091 0.000 1.079 43 L CA 0.531 55.415 54.840 0.073 0.000 0.752 43 L CB -0.104 41.977 42.059 0.037 0.000 0.906 43 L HN 0.262 nan 8.230 nan 0.000 0.436 44 L N -2.743 118.568 121.223 0.147 0.000 2.362 44 L HA 0.034 4.373 4.340 -0.001 0.000 0.204 44 L C 2.094 179.062 176.870 0.162 0.000 1.060 44 L CA 1.301 56.230 54.840 0.149 0.000 0.827 44 L CB -0.305 41.868 42.059 0.190 0.000 1.027 44 L HN 0.003 nan 8.230 nan 0.000 0.474 45 Y N -0.268 120.061 120.300 0.049 0.000 2.201 45 Y HA 0.035 4.585 4.550 -0.000 0.000 0.292 45 Y C 2.333 178.275 175.900 0.071 0.000 1.119 45 Y CA 1.472 59.601 58.100 0.048 0.000 1.127 45 Y CB -0.508 38.025 38.460 0.122 0.000 1.019 45 Y HN -0.004 nan 8.280 nan 0.000 0.514 46 L N -0.104 121.309 121.223 0.316 0.000 2.083 46 L HA -0.154 4.185 4.340 -0.001 0.000 0.209 46 L C -0.669 176.283 176.870 0.138 0.000 1.083 46 L CA 1.072 56.066 54.840 0.256 0.000 0.752 46 L CB -1.837 40.413 42.059 0.318 0.000 0.899 46 L HN 0.173 nan 8.230 nan 0.000 0.433 47 P HA -0.129 nan 4.420 nan 0.000 0.226 47 P C 0.961 178.267 177.300 0.010 0.000 1.153 47 P CA 1.311 64.441 63.100 0.050 0.000 0.777 47 P CB 0.038 31.759 31.700 0.035 0.000 0.794 48 K N -1.483 118.909 120.400 -0.014 0.000 2.358 48 K HA 0.222 4.542 4.320 -0.001 0.000 0.200 48 K C 0.202 176.751 176.600 -0.085 0.000 1.030 48 K CA -0.059 56.186 56.287 -0.070 0.000 1.097 48 K CB 0.339 32.758 32.500 -0.135 0.000 0.862 48 K HN 0.148 nan 8.250 nan 0.000 0.534 49 L N 1.667 122.863 121.223 -0.045 0.000 2.317 49 L HA 0.259 4.599 4.340 -0.001 0.000 0.281 49 L C 0.510 177.360 176.870 -0.033 0.000 1.024 49 L CA -0.783 54.020 54.840 -0.063 0.000 0.810 49 L CB 1.708 43.742 42.059 -0.041 0.000 1.240 49 L HN 0.077 nan 8.230 nan 0.000 0.427 50 S N 0.643 116.314 115.700 -0.048 0.000 2.596 50 S HA -0.015 4.455 4.470 -0.001 0.000 0.260 50 S C 1.359 175.953 174.600 -0.010 0.000 1.336 50 S CA 0.063 58.248 58.200 -0.026 0.000 0.993 50 S CB 1.348 64.528 63.200 -0.034 0.000 0.923 50 S HN 0.701 nan 8.310 nan 0.000 0.567 51 S N 1.268 116.973 115.700 0.007 0.000 2.428 51 S HA -0.227 4.243 4.470 -0.001 0.000 0.240 51 S C 1.959 176.571 174.600 0.021 0.000 1.036 51 S CA 1.595 59.810 58.200 0.024 0.000 1.009 51 S CB -1.306 61.913 63.200 0.031 0.000 0.803 51 S HN 1.030 nan 8.310 nan 0.000 0.486 52 A N 1.219 124.043 122.820 0.006 0.000 1.902 52 A HA 0.003 4.323 4.320 -0.001 0.000 0.217 52 A C 1.672 179.260 177.584 0.007 0.000 1.181 52 A CA 1.527 53.572 52.037 0.013 0.000 0.623 52 A CB -0.291 18.708 19.000 -0.002 0.000 0.818 52 A HN 0.608 nan 8.150 nan 0.000 0.443 53 N N -0.801 117.874 118.700 -0.040 0.000 2.571 53 N HA 0.106 4.845 4.740 -0.001 0.000 0.298 53 N C 0.133 175.476 175.510 -0.279 0.000 1.671 53 N CA -0.145 52.827 53.050 -0.130 0.000 0.900 53 N CB 0.380 38.878 38.487 0.018 0.000 1.365 53 N HN 0.302 nan 8.380 nan 0.000 0.493 54 N N 0.099 118.702 118.700 -0.161 0.000 2.395 54 N HA 0.108 4.847 4.740 -0.001 0.000 0.175 54 N C 0.589 176.142 175.510 0.073 0.000 1.029 54 N CA 0.327 53.362 53.050 -0.025 0.000 0.897 54 N CB 0.090 38.616 38.487 0.064 0.000 0.991 54 N HN 0.260 nan 8.380 nan 0.000 0.441 55 F N -1.327 118.757 119.950 0.223 0.000 2.612 55 F HA -0.349 4.177 4.527 -0.001 0.000 0.593 55 F C 0.020 175.928 175.800 0.181 0.000 0.503 55 F CA 0.994 59.106 58.000 0.187 0.000 0.825 55 F CB -0.731 38.388 39.000 0.198 0.000 1.657 55 F HN 0.115 nan 8.300 nan 0.000 0.258 56 Q N 0.396 120.416 119.800 0.366 0.000 3.412 56 Q HA 0.602 4.942 4.340 -0.001 0.000 0.219 56 Q C -0.819 175.333 176.000 0.254 0.000 0.913 56 Q CA -0.034 55.984 55.803 0.358 0.000 0.722 56 Q CB 1.901 30.906 28.738 0.444 0.000 1.385 56 Q HN 0.347 nan 8.270 nan 0.000 0.461 57 M N 1.602 121.329 119.600 0.212 0.000 2.470 57 M HA 0.354 4.833 4.480 -0.001 0.000 0.285 57 M C -1.691 174.693 176.300 0.139 0.000 1.213 57 M CA -0.639 54.751 55.300 0.150 0.000 0.901 57 M CB 2.016 34.687 32.600 0.118 0.000 1.718 57 M HN 0.496 nan 8.290 nan 0.000 0.469 58 D N 2.502 122.966 120.400 0.106 0.000 2.529 58 D HA 0.239 4.879 4.640 -0.001 0.000 0.273 58 D C 0.398 176.746 176.300 0.080 0.000 1.197 58 D CA -0.387 53.671 54.000 0.097 0.000 1.070 58 D CB 0.516 41.362 40.800 0.076 0.000 1.134 58 D HN 0.725 nan 8.370 nan 0.000 0.590 59 K N -1.017 119.426 120.400 0.073 0.000 2.439 59 K HA -0.007 4.313 4.320 -0.001 0.000 0.197 59 K C 0.243 176.871 176.600 0.047 0.000 1.041 59 K CA 0.553 56.877 56.287 0.062 0.000 0.970 59 K CB -0.300 32.235 32.500 0.059 0.000 0.773 59 K HN 0.129 nan 8.250 nan 0.000 0.479 60 N N 1.282 120.008 118.700 0.043 0.000 2.279 60 N HA 0.039 4.779 4.740 -0.001 0.000 0.226 60 N C -0.622 174.907 175.510 0.032 0.000 1.126 60 N CA -0.013 53.056 53.050 0.033 0.000 0.846 60 N CB 0.508 39.011 38.487 0.027 0.000 1.050 60 N HN 0.192 nan 8.380 nan 0.000 0.502 61 N N 0.130 118.853 118.700 0.040 0.000 2.863 61 N HA -0.181 4.558 4.740 -0.001 0.000 0.245 61 N C -0.633 174.900 175.510 0.038 0.000 1.001 61 N CA 0.937 54.010 53.050 0.038 0.000 0.901 61 N CB -0.958 37.545 38.487 0.027 0.000 1.124 61 N HN 0.417 nan 8.380 nan 0.000 0.582 62 K N 0.425 120.848 120.400 0.039 0.000 2.205 62 K HA 0.288 4.608 4.320 -0.001 0.000 0.279 62 K C 0.280 176.907 176.600 0.046 0.000 1.027 62 K CA -0.793 55.515 56.287 0.034 0.000 0.932 62 K CB 1.260 33.773 32.500 0.023 0.000 1.032 62 K HN 0.040 nan 8.250 nan 0.000 0.466 63 L N 3.797 125.046 121.223 0.044 0.000 2.456 63 L HA 0.145 4.485 4.340 -0.001 0.000 0.272 63 L C -0.801 176.088 176.870 0.033 0.000 1.189 63 L CA 0.358 55.236 54.840 0.062 0.000 0.846 63 L CB 0.330 42.429 42.059 0.066 0.000 1.111 63 L HN 0.452 nan 8.230 nan 0.000 0.475 64 L N 4.309 125.560 121.223 0.048 0.000 2.334 64 L HA 0.551 4.891 4.340 -0.001 0.000 0.272 64 L C -0.302 176.483 176.870 -0.141 0.000 1.020 64 L CA -0.593 54.205 54.840 -0.070 0.000 0.812 64 L CB 1.492 43.538 42.059 -0.022 0.000 1.264 64 L HN 0.601 nan 8.230 nan 0.000 0.439 65 E N 0.653 120.629 120.200 -0.374 0.000 2.248 65 E HA 0.304 4.653 4.350 -0.001 0.000 0.267 65 E C -1.078 175.127 176.600 -0.659 0.000 0.877 65 E CA -0.357 55.846 56.400 -0.329 0.000 0.759 65 E CB 2.122 31.672 29.700 -0.249 0.000 1.182 65 E HN 0.457 nan 8.360 nan 0.000 0.418 66 Y N 0.182 120.438 120.300 -0.074 0.000 2.652 66 Y HA 0.148 4.697 4.550 -0.001 0.000 0.274 66 Y C 1.406 177.275 175.900 -0.052 0.000 1.148 66 Y CA -0.311 57.754 58.100 -0.057 0.000 1.219 66 Y CB 0.286 38.689 38.460 -0.096 0.000 1.337 66 Y HN 0.513 nan 8.280 nan 0.000 0.490 67 F N 2.086 122.170 119.950 0.222 0.000 2.293 67 F HA -0.147 4.380 4.527 -0.001 0.000 0.300 67 F C 2.292 178.156 175.800 0.107 0.000 1.086 67 F CA 1.432 59.565 58.000 0.222 0.000 1.375 67 F CB -0.289 38.798 39.000 0.145 0.000 1.045 67 F HN 0.019 nan 8.300 nan 0.000 0.516 68 K N 0.396 120.810 120.400 0.024 0.000 2.160 68 K HA -0.232 4.087 4.320 -0.001 0.000 0.206 68 K C 1.651 178.120 176.600 -0.218 0.000 1.047 68 K CA 1.918 58.105 56.287 -0.167 0.000 0.930 68 K CB -1.180 31.101 32.500 -0.364 0.000 0.720 68 K HN 0.262 nan 8.250 nan 0.000 0.450 69 F N -0.036 119.853 119.950 -0.101 0.000 2.365 69 F HA 0.015 4.542 4.527 -0.001 0.000 0.300 69 F C 1.128 176.589 175.800 -0.564 0.000 1.090 69 F CA 0.470 58.219 58.000 -0.418 0.000 1.408 69 F CB 0.014 38.600 39.000 -0.689 0.000 1.060 69 F HN -0.065 nan 8.300 nan 0.000 0.534 70 F N -1.296 118.718 119.950 0.107 0.000 2.682 70 F HA 0.273 4.799 4.527 -0.001 0.000 0.308 70 F C -0.106 175.760 175.800 0.110 0.000 1.093 70 F CA -0.206 57.827 58.000 0.055 0.000 1.244 70 F CB 0.491 39.564 39.000 0.122 0.000 1.052 70 F HN -0.434 nan 8.300 nan 0.000 0.573 71 V N 1.320 121.359 119.914 0.208 0.000 2.525 71 V HA 0.256 4.376 4.120 -0.001 0.000 0.299 71 V C -1.728 174.408 176.094 0.070 0.000 1.034 71 V CA -1.232 61.161 62.300 0.155 0.000 0.863 71 V CB 1.957 33.870 31.823 0.149 0.000 0.999 71 V HN -0.113 nan 8.190 nan 0.000 0.423 72 P HA 0.091 nan 4.420 nan 0.000 0.229 72 P C -0.042 177.266 177.300 0.015 0.000 1.160 72 P CA 0.870 63.987 63.100 0.029 0.000 0.777 72 P CB 0.324 32.045 31.700 0.036 0.000 0.814 73 K N -1.110 119.300 120.400 0.017 0.000 2.482 73 K HA 0.408 4.728 4.320 -0.001 0.000 0.257 73 K C -0.569 176.030 176.600 -0.001 0.000 0.969 73 K CA -1.192 55.098 56.287 0.004 0.000 0.842 73 K CB 1.362 33.865 32.500 0.004 0.000 1.359 73 K HN -0.435 nan 8.250 nan 0.000 0.441 74 K N 1.515 121.911 120.400 -0.008 0.000 2.489 74 K HA 0.132 4.451 4.320 -0.001 0.000 0.278 74 K C -0.310 176.281 176.600 -0.015 0.000 1.000 74 K CA 0.369 56.650 56.287 -0.011 0.000 1.012 74 K CB 0.179 32.672 32.500 -0.012 0.000 0.903 74 K HN 0.391 nan 8.250 nan 0.000 0.485 75 I N 3.142 123.699 120.570 -0.022 0.000 2.509 75 I HA 0.357 4.527 4.170 -0.001 0.000 0.293 75 I C -0.185 175.906 176.117 -0.043 0.000 1.020 75 I CA -0.708 60.569 61.300 -0.038 0.000 1.088 75 I CB 1.856 39.821 38.000 -0.058 0.000 1.267 75 I HN 0.460 nan 8.210 nan 0.000 0.430 76 K N 5.542 125.913 120.400 -0.048 0.000 2.427 76 K HA 0.655 4.975 4.320 -0.001 0.000 0.252 76 K C -0.714 175.843 176.600 -0.072 0.000 0.931 76 K CA -0.904 55.355 56.287 -0.047 0.000 0.793 76 K CB 2.862 35.344 32.500 -0.030 0.000 1.211 76 K HN 0.417 nan 8.250 nan 0.000 0.426 77 R N 0.266 120.718 120.500 -0.080 0.000 2.888 77 R HA 0.360 4.700 4.340 -0.001 0.000 0.264 77 R C -0.273 175.974 176.300 -0.088 0.000 1.045 77 R CA -0.875 55.156 56.100 -0.114 0.000 0.962 77 R CB 1.580 31.776 30.300 -0.173 0.000 1.210 77 R HN 0.890 nan 8.270 nan 0.000 0.479 78 S N 0.436 116.064 115.700 -0.119 0.000 2.576 78 S HA 0.095 4.565 4.470 -0.001 0.000 0.272 78 S C -1.711 172.867 174.600 -0.037 0.000 1.352 78 S CA -0.710 57.436 58.200 -0.090 0.000 1.021 78 S CB 0.687 63.809 63.200 -0.130 0.000 0.887 78 S HN 0.276 nan 8.310 nan 0.000 0.542 79 P HA -0.040 nan 4.420 nan 0.000 0.216 79 P C 1.715 179.137 177.300 0.204 0.000 1.150 79 P CA 0.756 63.950 63.100 0.156 0.000 0.837 79 P CB -0.247 31.581 31.700 0.213 0.000 0.786 80 C N -1.061 118.351 119.300 0.188 0.000 2.429 80 C HA -0.109 4.351 4.460 -0.001 0.000 0.277 80 C C 2.551 177.577 174.990 0.061 0.000 1.262 80 C CA 0.600 59.769 59.018 0.251 0.000 1.733 80 C CB -1.691 26.195 27.740 0.243 0.000 2.010 80 C HN 0.072 nan 8.230 nan 0.000 0.483 81 I N 1.262 121.712 120.570 -0.199 0.000 2.179 81 I HA -0.176 3.993 4.170 -0.001 0.000 0.242 81 I C 2.267 178.337 176.117 -0.079 0.000 1.088 81 I CA 1.570 62.602 61.300 -0.446 0.000 1.357 81 I CB -0.673 36.985 38.000 -0.570 0.000 1.051 81 I HN 0.407 nan 8.210 nan 0.000 0.409 82 N N 0.794 119.447 118.700 -0.078 0.000 2.104 82 N HA -0.232 4.508 4.740 -0.001 0.000 0.190 82 N C 1.909 177.301 175.510 -0.197 0.000 1.024 82 N CA 1.316 54.272 53.050 -0.156 0.000 0.853 82 N CB -0.466 37.948 38.487 -0.122 0.000 1.008 82 N HN 0.323 nan 8.380 nan 0.000 0.424 83 R N 0.340 120.810 120.500 -0.051 0.000 2.081 83 R HA -0.068 4.272 4.340 -0.001 0.000 0.235 83 R C 2.161 178.603 176.300 0.238 0.000 1.131 83 R CA 1.581 57.679 56.100 -0.003 0.000 0.960 83 R CB -0.528 29.543 30.300 -0.381 0.000 0.856 83 R HN 0.238 nan 8.270 nan 0.000 0.436 84 G N -0.769 108.182 108.800 0.252 0.000 2.422 84 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.218 84 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.218 84 G C 1.001 175.995 174.900 0.157 0.000 1.146 84 G CA 0.598 45.841 45.100 0.237 0.000 0.769 84 G HN 0.356 nan 8.290 nan 0.000 0.547 85 Y N -1.413 118.951 120.300 0.107 0.000 2.337 85 Y HA 0.041 4.591 4.550 -0.001 0.000 0.293 85 Y C 2.444 178.380 175.900 0.060 0.000 1.123 85 Y CA 0.731 58.858 58.100 0.045 0.000 1.201 85 Y CB -0.192 38.232 38.460 -0.060 0.000 1.011 85 Y HN 0.359 nan 8.280 nan 0.000 0.545 86 W N 0.067 121.401 121.300 0.057 0.000 2.358 86 W HA -0.241 4.419 4.660 -0.000 0.000 0.303 86 W C 1.988 178.684 176.519 0.294 0.000 1.208 86 W CA 1.386 58.811 57.345 0.133 0.000 1.274 86 W CB -0.511 28.978 29.460 0.049 0.000 1.138 86 W HN 0.055 nan 8.180 nan 0.000 0.515 87 L N 1.550 123.053 121.223 0.468 0.000 2.083 87 L HA -0.136 4.203 4.340 -0.001 0.000 0.209 87 L C 2.672 179.628 176.870 0.144 0.000 1.083 87 L CA 2.334 57.410 54.840 0.393 0.000 0.752 87 L CB -1.136 41.276 42.059 0.588 0.000 0.899 87 L HN 0.118 nan 8.230 nan 0.000 0.433 88 R N -0.983 119.551 120.500 0.057 0.000 2.075 88 R HA -0.113 4.226 4.340 -0.001 0.000 0.232 88 R C 2.263 178.514 176.300 -0.082 0.000 1.126 88 R CA 1.422 57.501 56.100 -0.034 0.000 0.963 88 R CB -0.279 29.937 30.300 -0.140 0.000 0.858 88 R HN 0.402 nan 8.270 nan 0.000 0.435 89 L N -0.142 120.994 121.223 -0.146 0.000 2.046 89 L HA -0.175 4.165 4.340 -0.001 0.000 0.208 89 L C 2.353 179.004 176.870 -0.364 0.000 1.077 89 L CA 1.244 55.891 54.840 -0.320 0.000 0.747 89 L CB -0.529 41.259 42.059 -0.451 0.000 0.896 89 L HN 0.225 nan 8.230 nan 0.000 0.432 90 F N 0.795 120.468 119.950 -0.462 0.000 2.216 90 F HA -0.173 4.354 4.527 -0.001 0.000 0.300 90 F C 2.356 178.108 175.800 -0.080 0.000 1.085 90 F CA 0.914 58.752 58.000 -0.270 0.000 1.326 90 F CB -0.271 38.315 39.000 -0.691 0.000 1.027 90 F HN -0.006 nan 8.300 nan 0.000 0.497 91 A N 0.927 123.686 122.820 -0.103 0.000 1.858 91 A HA -0.148 4.171 4.320 -0.001 0.000 0.216 91 A C 2.225 179.729 177.584 -0.132 0.000 1.190 91 A CA 1.898 53.880 52.037 -0.092 0.000 0.617 91 A CB -1.004 18.000 19.000 0.006 0.000 0.827 91 A HN 0.343 nan 8.150 nan 0.000 0.443 92 I N -0.519 119.974 120.570 -0.129 0.000 2.202 92 I HA -0.163 4.007 4.170 -0.001 0.000 0.242 92 I C 2.532 178.559 176.117 -0.150 0.000 1.091 92 I CA 1.748 62.970 61.300 -0.131 0.000 1.368 92 I CB -1.273 36.658 38.000 -0.114 0.000 1.058 92 I HN 0.340 nan 8.210 nan 0.000 0.410 93 R N 2.086 122.478 120.500 -0.179 0.000 2.091 93 R HA -0.160 4.180 4.340 -0.001 0.000 0.238 93 R C 2.544 178.813 176.300 -0.052 0.000 1.136 93 R CA 2.289 58.327 56.100 -0.104 0.000 0.959 93 R CB -0.817 29.466 30.300 -0.028 0.000 0.856 93 R HN 0.508 nan 8.270 nan 0.000 0.437 94 S N 0.093 115.684 115.700 -0.181 0.000 2.368 94 S HA -0.121 4.348 4.470 -0.001 0.000 0.225 94 S C 1.929 176.501 174.600 -0.048 0.000 1.030 94 S CA 0.779 58.918 58.200 -0.102 0.000 0.999 94 S CB -0.321 62.663 63.200 -0.360 0.000 0.844 94 S HN 0.214 nan 8.310 nan 0.000 0.459 95 R N 1.572 122.005 120.500 -0.112 0.000 2.075 95 R HA 0.222 4.562 4.340 -0.001 0.000 0.232 95 R C 2.423 178.585 176.300 -0.229 0.000 1.126 95 R CA 1.056 57.047 56.100 -0.180 0.000 0.963 95 R CB -1.539 28.608 30.300 -0.254 0.000 0.858 95 R HN 0.477 nan 8.270 nan 0.000 0.435 96 L N 1.035 122.171 121.223 -0.145 0.000 2.046 96 L HA -0.199 4.141 4.340 -0.001 0.000 0.208 96 L C 1.967 178.841 176.870 0.007 0.000 1.077 96 L CA 1.222 56.027 54.840 -0.059 0.000 0.747 96 L CB -0.608 41.498 42.059 0.077 0.000 0.896 96 L HN 0.152 nan 8.230 nan 0.000 0.432 97 N N 0.064 118.804 118.700 0.067 0.000 2.094 97 N HA -0.195 4.545 4.740 -0.001 0.000 0.191 97 N C 2.112 177.555 175.510 -0.112 0.000 1.023 97 N CA 1.837 54.930 53.050 0.072 0.000 0.857 97 N CB -0.449 38.152 38.487 0.191 0.000 1.013 97 N HN 0.403 nan 8.380 nan 0.000 0.426 98 S N 0.139 115.587 115.700 -0.420 0.000 2.399 98 S HA -0.027 4.443 4.470 -0.001 0.000 0.231 98 S C 2.022 176.554 174.600 -0.112 0.000 1.022 98 S CA 0.659 58.434 58.200 -0.709 0.000 0.983 98 S CB -0.450 61.919 63.200 -1.385 0.000 0.803 98 S HN 0.299 nan 8.310 nan 0.000 0.480 99 I N 0.167 120.674 120.570 -0.104 0.000 2.400 99 I HA 0.017 4.187 4.170 -0.001 0.000 0.248 99 I C 2.150 178.217 176.117 -0.084 0.000 1.109 99 I CA 0.657 61.895 61.300 -0.104 0.000 1.425 99 I CB -0.274 37.439 38.000 -0.480 0.000 1.094 99 I HN 0.237 nan 8.210 nan 0.000 0.425 100 I N 1.014 121.488 120.570 -0.161 0.000 2.315 100 I HA -0.240 3.930 4.170 -0.001 0.000 0.248 100 I C 2.345 178.380 176.117 -0.137 0.000 1.117 100 I CA 1.612 62.777 61.300 -0.225 0.000 1.404 100 I CB -0.419 37.293 38.000 -0.480 0.000 1.071 100 I HN 0.169 nan 8.210 nan 0.000 0.419 101 E N -0.642 119.513 120.200 -0.076 0.000 2.152 101 E HA -0.238 4.112 4.350 -0.001 0.000 0.192 101 E C 2.048 178.645 176.600 -0.006 0.000 0.983 101 E CA 0.803 57.188 56.400 -0.024 0.000 0.818 101 E CB -0.031 29.692 29.700 0.038 0.000 0.758 101 E HN 0.531 nan 8.360 nan 0.000 0.467 102 Q N 0.204 120.017 119.800 0.021 0.000 2.349 102 Q HA 0.027 4.366 4.340 -0.001 0.000 0.209 102 Q C 0.012 176.048 176.000 0.060 0.000 0.920 102 Q CA 0.397 56.215 55.803 0.026 0.000 0.901 102 Q CB 0.680 29.409 28.738 -0.014 0.000 1.021 102 Q HN 0.032 nan 8.270 nan 0.000 0.519 103 T N 3.798 118.400 114.554 0.080 0.000 2.870 103 T HA 0.199 4.549 4.350 -0.001 0.000 0.300 103 T C -2.472 172.231 174.700 0.006 0.000 0.989 103 T CA -1.033 61.106 62.100 0.065 0.000 1.139 103 T CB 0.966 69.853 68.868 0.033 0.000 0.920 103 T HN 0.165 nan 8.240 nan 0.000 0.537 104 P HA 0.047 nan 4.420 nan 0.000 0.263 104 P C 0.525 177.806 177.300 -0.030 0.000 1.175 104 P CA 0.176 63.268 63.100 -0.013 0.000 0.761 104 P CB 0.425 32.118 31.700 -0.011 0.000 0.794 105 Q N 1.463 121.243 119.800 -0.034 0.000 2.515 105 Q HA -0.127 4.212 4.340 -0.001 0.000 0.212 105 Q C 1.127 177.102 176.000 -0.041 0.000 0.970 105 Q CA 0.848 56.624 55.803 -0.044 0.000 0.941 105 Q CB -0.042 28.672 28.738 -0.039 0.000 0.998 105 Q HN 0.566 nan 8.270 nan 0.000 0.518 106 D N -0.660 119.719 120.400 -0.035 0.000 2.350 106 D HA -0.034 4.606 4.640 -0.001 0.000 0.213 106 D C -0.022 176.253 176.300 -0.042 0.000 1.031 106 D CA 0.169 54.149 54.000 -0.034 0.000 0.861 106 D CB 0.232 41.015 40.800 -0.027 0.000 0.926 106 D HN -0.025 nan 8.370 nan 0.000 0.520 107 K N 1.232 121.602 120.400 -0.050 0.000 2.205 107 K HA 0.181 4.501 4.320 -0.001 0.000 0.279 107 K C 0.218 176.772 176.600 -0.077 0.000 1.027 107 K CA -0.603 55.648 56.287 -0.061 0.000 0.932 107 K CB 2.161 34.625 32.500 -0.059 0.000 1.032 107 K HN -0.048 nan 8.250 nan 0.000 0.466 108 K N 3.385 123.734 120.400 -0.085 0.000 2.401 108 K HA 0.157 4.477 4.320 -0.001 0.000 0.278 108 K C -0.583 175.937 176.600 -0.133 0.000 1.018 108 K CA -0.015 56.209 56.287 -0.105 0.000 0.981 108 K CB 0.422 32.860 32.500 -0.103 0.000 0.933 108 K HN 0.463 nan 8.250 nan 0.000 0.477 109 I N 4.245 124.715 120.570 -0.166 0.000 2.465 109 I HA 0.233 4.403 4.170 -0.001 0.000 0.291 109 I C -0.919 175.026 176.117 -0.287 0.000 1.014 109 I CA -1.197 59.976 61.300 -0.212 0.000 1.093 109 I CB 2.087 39.955 38.000 -0.219 0.000 1.267 109 I HN 0.249 nan 8.210 nan 0.000 0.431 110 V N 6.870 126.596 119.914 -0.313 0.000 2.409 110 V HA 0.331 4.451 4.120 -0.001 0.000 0.291 110 V C -0.073 175.753 176.094 -0.447 0.000 1.020 110 V CA -0.734 61.337 62.300 -0.381 0.000 0.848 110 V CB 1.961 33.600 31.823 -0.307 0.000 0.990 110 V HN 0.390 nan 8.190 nan 0.000 0.430 111 V N 5.989 125.579 119.914 -0.540 0.000 2.364 111 V HA 0.344 4.464 4.120 -0.001 0.000 0.272 111 V C -0.009 175.927 176.094 -0.264 0.000 1.036 111 V CA -0.404 61.646 62.300 -0.416 0.000 0.880 111 V CB 1.615 33.192 31.823 -0.410 0.000 0.991 111 V HN 0.620 nan 8.190 nan 0.000 0.460 112 V N 4.989 124.728 119.914 -0.290 0.000 2.313 112 V HA 0.365 4.485 4.120 -0.001 0.000 0.278 112 V C 0.118 176.195 176.094 -0.027 0.000 1.017 112 V CA -0.637 61.569 62.300 -0.156 0.000 0.823 112 V CB 1.400 33.075 31.823 -0.247 0.000 1.010 112 V HN 0.825 nan 8.190 nan 0.000 0.443 113 N N 5.308 124.029 118.700 0.034 0.000 2.439 113 N HA 0.378 5.118 4.740 -0.001 0.000 0.249 113 N C -0.752 174.802 175.510 0.074 0.000 1.003 113 N CA -0.290 52.789 53.050 0.048 0.000 0.942 113 N CB 1.063 39.594 38.487 0.073 0.000 1.115 113 N HN 0.610 nan 8.380 nan 0.000 0.505 114 L N 2.694 123.953 121.223 0.061 0.000 2.268 114 L HA 0.385 4.725 4.340 -0.001 0.000 0.289 114 L C 1.123 178.020 176.870 0.044 0.000 1.064 114 L CA -0.655 54.221 54.840 0.059 0.000 0.824 114 L CB 0.799 42.878 42.059 0.033 0.000 1.202 114 L HN 0.765 nan 8.230 nan 0.000 0.433 115 G N 2.115 110.941 108.800 0.043 0.000 2.401 115 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.283 115 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.283 115 G C 0.724 175.674 174.900 0.083 0.000 1.117 115 G CA 0.018 45.154 45.100 0.060 0.000 1.051 115 G HN 0.932 nan 8.290 nan 0.000 0.510 116 C N -0.611 118.740 119.300 0.085 0.000 2.448 116 C HA 0.499 4.959 4.460 -0.001 0.000 0.280 116 C C 2.654 177.690 174.990 0.077 0.000 1.398 116 C CA 0.515 59.586 59.018 0.089 0.000 1.774 116 C CB -1.244 26.562 27.740 0.109 0.000 1.888 116 C HN 2.469 nan 8.230 nan 0.000 0.519 117 G N 0.668 109.504 108.800 0.060 0.000 2.602 117 G HA2 -0.343 3.617 3.960 -0.001 0.000 0.306 117 G HA3 -0.343 3.617 3.960 -0.001 0.000 0.306 117 G C 0.154 175.080 174.900 0.044 0.000 1.301 117 G CA 0.796 45.876 45.100 -0.034 0.000 0.974 117 G HN 0.708 nan 8.290 nan 0.000 0.547 118 Y N 0.987 121.250 120.300 -0.061 0.000 2.470 118 Y HA 0.188 4.738 4.550 -0.001 0.000 0.284 118 Y C 1.451 177.031 175.900 -0.532 0.000 1.188 118 Y CA -0.224 57.672 58.100 -0.340 0.000 1.269 118 Y CB 0.254 38.542 38.460 -0.287 0.000 1.094 118 Y HN 0.416 nan 8.280 nan 0.000 0.518 119 D N 3.283 123.644 120.400 -0.066 0.000 2.502 119 D HA -0.066 4.573 4.640 -0.001 0.000 0.249 119 D C -1.686 174.507 176.300 -0.178 0.000 1.188 119 D CA -1.291 52.684 54.000 -0.040 0.000 0.890 119 D CB 1.079 41.908 40.800 0.050 0.000 1.140 119 D HN 0.160 nan 8.370 nan 0.000 0.505 120 P HA -0.032 nan 4.420 nan 0.000 0.257 120 P C 1.574 178.756 177.300 -0.196 0.000 1.325 120 P CA -0.260 62.728 63.100 -0.186 0.000 0.850 120 P CB 0.328 31.903 31.700 -0.209 0.000 1.324 121 L N 1.698 122.776 121.223 -0.241 0.000 2.021 121 L HA -0.120 4.220 4.340 -0.001 0.000 0.215 121 L C -0.807 175.737 176.870 -0.544 0.000 1.074 121 L CA 2.866 57.512 54.840 -0.323 0.000 0.760 121 L CB -2.111 39.830 42.059 -0.197 0.000 0.889 121 L HN 0.052 nan 8.230 nan 0.000 0.433 122 P HA -0.152 nan 4.420 nan 0.000 0.216 122 P C 1.473 178.133 177.300 -1.067 0.000 1.150 122 P CA 1.621 63.859 63.100 -1.437 0.000 0.837 122 P CB -0.138 30.926 31.700 -1.061 0.000 0.786 123 F N -0.369 119.242 119.950 -0.565 0.000 2.163 123 F HA -0.089 4.438 4.527 -0.001 0.000 0.297 123 F C 2.772 178.215 175.800 -0.595 0.000 1.094 123 F CA 1.184 58.925 58.000 -0.431 0.000 1.290 123 F CB -1.226 37.629 39.000 -0.242 0.000 1.017 123 F HN -0.069 nan 8.300 nan 0.000 0.483 124 Q N 0.777 120.125 119.800 -0.753 0.000 2.096 124 Q HA -0.203 4.137 4.340 -0.001 0.000 0.204 124 Q C 2.071 177.781 176.000 -0.484 0.000 0.982 124 Q CA 1.702 56.847 55.803 -1.096 0.000 0.850 124 Q CB -0.227 28.004 28.738 -0.845 0.000 0.901 124 Q HN 0.475 nan 8.270 nan 0.000 0.422 125 L N -0.084 120.888 121.223 -0.419 0.000 2.209 125 L HA -0.076 4.264 4.340 -0.001 0.000 0.207 125 L C 2.225 179.113 176.870 0.030 0.000 1.094 125 L CA 0.360 55.065 54.840 -0.226 0.000 0.790 125 L CB -0.088 41.779 42.059 -0.320 0.000 0.932 125 L HN 0.236 nan 8.230 nan 0.000 0.447 126 L N -0.930 120.221 121.223 -0.120 0.000 2.341 126 L HA -0.002 4.338 4.340 -0.001 0.000 0.214 126 L C 0.606 177.404 176.870 -0.121 0.000 1.115 126 L CA -0.068 54.757 54.840 -0.025 0.000 0.820 126 L CB -0.219 41.765 42.059 -0.126 0.000 0.944 126 L HN 0.134 nan 8.230 nan 0.000 0.452 127 D N 0.740 121.082 120.400 -0.097 0.000 2.389 127 D HA -0.068 4.571 4.640 -0.001 0.000 0.263 127 D C 1.464 177.608 176.300 -0.260 0.000 1.255 127 D CA 0.254 54.219 54.000 -0.060 0.000 0.914 127 D CB 1.169 42.063 40.800 0.157 0.000 1.116 127 D HN 0.151 nan 8.370 nan 0.000 0.502 128 T N 0.994 115.326 114.554 -0.371 0.000 3.007 128 T HA -0.131 4.219 4.350 -0.001 0.000 0.270 128 T C 1.355 176.017 174.700 -0.062 0.000 1.107 128 T CA 0.458 62.279 62.100 -0.464 0.000 1.118 128 T CB -0.009 68.709 68.868 -0.249 0.000 0.889 128 T HN 0.264 nan 8.240 nan 0.000 0.506 129 N N 2.027 120.736 118.700 0.016 0.000 2.381 129 N HA -0.021 4.719 4.740 -0.001 0.000 0.182 129 N C 0.573 176.180 175.510 0.160 0.000 1.025 129 N CA 0.502 53.607 53.050 0.091 0.000 0.888 129 N CB -0.504 38.035 38.487 0.087 0.000 0.965 129 N HN 0.409 nan 8.380 nan 0.000 0.438 130 N N 1.894 120.724 118.700 0.215 0.000 2.448 130 N HA 0.028 4.768 4.740 -0.001 0.000 0.250 130 N C 1.209 176.908 175.510 0.314 0.000 1.136 130 N CA -0.168 53.048 53.050 0.276 0.000 0.953 130 N CB 0.091 38.762 38.487 0.306 0.000 1.251 130 N HN 0.244 nan 8.380 nan 0.000 0.502 131 I N 0.062 120.768 120.570 0.227 0.000 2.916 131 I HA -0.090 4.080 4.170 -0.001 0.000 0.267 131 I C 0.899 177.100 176.117 0.140 0.000 1.263 131 I CA 0.832 62.243 61.300 0.185 0.000 1.471 131 I CB 0.078 38.156 38.000 0.130 0.000 1.089 131 I HN 0.262 nan 8.210 nan 0.000 0.468 132 Q N 1.640 121.539 119.800 0.166 0.000 2.472 132 Q HA 0.031 4.370 4.340 -0.001 0.000 0.208 132 Q C 1.665 177.765 176.000 0.167 0.000 0.958 132 Q CA 1.184 57.082 55.803 0.158 0.000 0.932 132 Q CB 0.122 28.971 28.738 0.184 0.000 1.007 132 Q HN 0.790 nan 8.270 nan 0.000 0.508 133 S N -1.280 114.515 115.700 0.159 0.000 2.749 133 S HA 0.097 4.567 4.470 -0.001 0.000 0.246 133 S C 1.360 175.887 174.600 -0.122 0.000 1.023 133 S CA -0.465 57.834 58.200 0.166 0.000 1.012 133 S CB 0.601 63.908 63.200 0.178 0.000 0.942 133 S HN 0.023 nan 8.310 nan 0.000 0.531 134 Q N 2.111 121.693 119.800 -0.362 0.000 2.217 134 Q HA -0.210 4.130 4.340 -0.001 0.000 0.209 134 Q C 1.513 177.260 176.000 -0.421 0.000 0.988 134 Q CA 1.831 57.181 55.803 -0.754 0.000 0.878 134 Q CB -0.362 28.223 28.738 -0.254 0.000 0.909 134 Q HN 0.790 nan 8.270 nan 0.000 0.424 135 Q N -1.320 118.382 119.800 -0.162 0.000 2.500 135 Q HA -0.126 4.214 4.340 -0.001 0.000 0.213 135 Q C 0.569 176.400 176.000 -0.283 0.000 0.974 135 Q CA 0.691 56.372 55.803 -0.202 0.000 0.918 135 Q CB 0.135 28.731 28.738 -0.236 0.000 0.980 135 Q HN 0.473 nan 8.270 nan 0.000 0.505 136 Y N -2.125 118.133 120.300 -0.069 0.000 2.467 136 Y HA 0.083 4.633 4.550 -0.001 0.000 0.250 136 Y C 1.390 177.403 175.900 0.187 0.000 1.155 136 Y CA -0.002 58.139 58.100 0.068 0.000 1.249 136 Y CB 0.512 39.059 38.460 0.144 0.000 1.146 136 Y HN 0.160 nan 8.280 nan 0.000 0.524 137 H N -0.490 118.676 119.070 0.160 0.000 2.502 137 H HA -0.024 4.532 4.556 -0.001 0.000 0.283 137 H C 0.865 176.237 175.328 0.072 0.000 1.015 137 H CA 1.021 57.138 56.048 0.115 0.000 1.298 137 H CB 0.158 29.973 29.762 0.088 0.000 1.411 137 H HN 0.381 nan 8.280 nan 0.000 0.556 138 D N -0.024 120.470 120.400 0.157 0.000 2.840 138 D HA 0.005 4.644 4.640 -0.001 0.000 0.277 138 D C 1.395 177.717 176.300 0.036 0.000 1.066 138 D CA 0.590 54.638 54.000 0.080 0.000 0.979 138 D CB 0.264 41.091 40.800 0.045 0.000 1.157 138 D HN 0.357 nan 8.370 nan 0.000 0.466 139 R N 0.283 120.784 120.500 0.001 0.000 2.509 139 R HA 0.339 4.679 4.340 -0.001 0.000 0.300 139 R C -0.403 175.854 176.300 -0.073 0.000 0.985 139 R CA -0.156 55.921 56.100 -0.038 0.000 1.092 139 R CB -0.199 30.066 30.300 -0.057 0.000 1.237 139 R HN -0.140 nan 8.270 nan 0.000 0.546 140 V N 0.425 120.310 119.914 -0.047 0.000 2.435 140 V HA 0.537 4.657 4.120 -0.001 0.000 0.290 140 V C -0.107 175.888 176.094 -0.165 0.000 1.030 140 V CA -0.620 61.594 62.300 -0.144 0.000 0.881 140 V CB 1.679 33.459 31.823 -0.071 0.000 0.983 140 V HN 0.311 nan 8.190 nan 0.000 0.445 141 S N 3.252 118.748 115.700 -0.341 0.000 2.648 141 S HA 0.867 5.337 4.470 -0.001 0.000 0.305 141 S C -1.120 173.134 174.600 -0.577 0.000 1.094 141 S CA -0.375 57.681 58.200 -0.240 0.000 0.983 141 S CB 1.570 64.686 63.200 -0.140 0.000 1.101 141 S HN 0.457 nan 8.310 nan 0.000 0.514 142 F N 0.863 120.763 119.950 -0.083 0.000 2.565 142 F HA 0.611 5.138 4.527 -0.001 0.000 0.313 142 F C -0.394 175.278 175.800 -0.214 0.000 1.091 142 F CA -0.673 57.261 58.000 -0.110 0.000 0.915 142 F CB 1.244 40.228 39.000 -0.027 0.000 1.208 142 F HN 0.262 nan 8.300 nan 0.000 0.453 143 I N 2.523 123.062 120.570 -0.052 0.000 2.447 143 I HA 0.302 4.472 4.170 -0.001 0.000 0.287 143 I C -1.265 174.809 176.117 -0.071 0.000 1.023 143 I CA -0.651 60.565 61.300 -0.140 0.000 1.083 143 I CB 1.726 39.663 38.000 -0.106 0.000 1.245 143 I HN 0.407 nan 8.210 nan 0.000 0.434 144 D N 7.242 127.557 120.400 -0.140 0.000 2.280 144 D HA 0.570 5.209 4.640 -0.001 0.000 0.236 144 D C -0.511 175.816 176.300 0.045 0.000 1.082 144 D CA 0.037 54.042 54.000 0.009 0.000 0.834 144 D CB 1.800 42.653 40.800 0.088 0.000 1.100 144 D HN 0.274 nan 8.370 nan 0.000 0.486 145 I N 2.400 123.022 120.570 0.087 0.000 2.436 145 I HA 0.384 4.554 4.170 -0.001 0.000 0.289 145 I C -0.075 176.094 176.117 0.087 0.000 1.010 145 I CA -0.533 60.828 61.300 0.102 0.000 1.098 145 I CB 1.847 39.935 38.000 0.146 0.000 1.266 145 I HN 0.164 nan 8.210 nan 0.000 0.434 146 D N 3.452 123.904 120.400 0.087 0.000 2.768 146 D HA 0.268 4.907 4.640 -0.001 0.000 0.327 146 D C -1.190 175.158 176.300 0.079 0.000 1.302 146 D CA -0.476 53.564 54.000 0.068 0.000 0.897 146 D CB 1.680 42.561 40.800 0.136 0.000 1.420 146 D HN 0.173 nan 8.370 nan 0.000 0.494 147 Y N 0.961 121.305 120.300 0.073 0.000 2.683 147 Y HA -0.044 4.506 4.550 -0.001 0.000 0.340 147 Y C 2.122 178.075 175.900 0.088 0.000 1.245 147 Y CA 0.845 58.988 58.100 0.070 0.000 1.485 147 Y CB 0.724 39.212 38.460 0.047 0.000 1.328 147 Y HN 0.245 nan 8.280 nan 0.000 0.603 148 S N 0.941 116.800 115.700 0.265 0.000 2.365 148 S HA -0.254 4.215 4.470 -0.001 0.000 0.225 148 S C 1.617 176.322 174.600 0.176 0.000 1.039 148 S CA 2.156 60.473 58.200 0.196 0.000 1.033 148 S CB -0.264 63.037 63.200 0.168 0.000 0.887 148 S HN 0.837 nan 8.310 nan 0.000 0.447 149 D N 0.940 121.435 120.400 0.158 0.000 2.123 149 D HA -0.083 4.557 4.640 -0.001 0.000 0.196 149 D C 1.914 178.298 176.300 0.140 0.000 0.992 149 D CA 1.046 55.114 54.000 0.112 0.000 0.833 149 D CB -0.489 40.342 40.800 0.052 0.000 0.954 149 D HN 0.442 nan 8.370 nan 0.000 0.455 150 L N 0.106 121.432 121.223 0.171 0.000 2.072 150 L HA -0.070 4.270 4.340 -0.001 0.000 0.205 150 L C 2.268 179.302 176.870 0.273 0.000 1.079 150 L CA 0.766 55.735 54.840 0.216 0.000 0.752 150 L CB -0.077 42.084 42.059 0.171 0.000 0.906 150 L HN 0.007 nan 8.230 nan 0.000 0.436 151 L N -0.243 121.119 121.223 0.231 0.000 2.083 151 L HA -0.253 4.087 4.340 -0.001 0.000 0.209 151 L C 2.630 179.609 176.870 0.181 0.000 1.083 151 L CA 1.379 56.350 54.840 0.219 0.000 0.752 151 L CB -0.533 41.643 42.059 0.195 0.000 0.899 151 L HN 0.294 nan 8.230 nan 0.000 0.433 152 K N 0.303 120.794 120.400 0.151 0.000 2.044 152 K HA -0.211 4.108 4.320 -0.001 0.000 0.210 152 K C 2.003 178.658 176.600 0.092 0.000 1.049 152 K CA 1.541 57.890 56.287 0.104 0.000 0.927 152 K CB -0.262 32.293 32.500 0.092 0.000 0.713 152 K HN 0.266 nan 8.250 nan 0.000 0.443 153 I N 1.029 121.674 120.570 0.125 0.000 2.142 153 I HA -0.291 3.879 4.170 -0.001 0.000 0.240 153 I C 2.604 178.743 176.117 0.038 0.000 1.078 153 I CA 1.224 62.575 61.300 0.085 0.000 1.343 153 I CB -0.259 37.832 38.000 0.151 0.000 1.046 153 I HN 0.162 nan 8.210 nan 0.000 0.405 154 K N 1.411 121.890 120.400 0.131 0.000 2.032 154 K HA -0.193 4.127 4.320 -0.001 0.000 0.209 154 K C 2.131 178.802 176.600 0.119 0.000 1.048 154 K CA 1.664 58.038 56.287 0.145 0.000 0.927 154 K CB -0.118 32.555 32.500 0.290 0.000 0.712 154 K HN 0.248 nan 8.250 nan 0.000 0.441 155 I N 0.714 121.353 120.570 0.113 0.000 2.252 155 I HA -0.241 3.929 4.170 -0.001 0.000 0.245 155 I C 2.503 178.614 176.117 -0.010 0.000 1.102 155 I CA 1.257 62.603 61.300 0.076 0.000 1.385 155 I CB -0.257 37.782 38.000 0.064 0.000 1.064 155 I HN 0.350 nan 8.210 nan 0.000 0.414 156 E N 1.397 121.584 120.200 -0.023 0.000 2.085 156 E HA -0.226 4.124 4.350 -0.001 0.000 0.194 156 E C 2.333 178.863 176.600 -0.117 0.000 0.994 156 E CA 1.215 57.578 56.400 -0.063 0.000 0.801 156 E CB -0.024 29.651 29.700 -0.042 0.000 0.743 156 E HN 0.436 nan 8.360 nan 0.000 0.453 157 L N 0.402 121.540 121.223 -0.141 0.000 2.017 157 L HA -0.197 4.143 4.340 -0.001 0.000 0.208 157 L C 2.557 179.235 176.870 -0.319 0.000 1.073 157 L CA 1.057 55.740 54.840 -0.261 0.000 0.745 157 L CB -0.368 41.477 42.059 -0.356 0.000 0.894 157 L HN 0.247 nan 8.230 nan 0.000 0.432 158 I N -0.193 120.231 120.570 -0.243 0.000 2.208 158 I HA -0.329 3.840 4.170 -0.001 0.000 0.245 158 I C 2.397 178.373 176.117 -0.233 0.000 1.097 158 I CA 1.568 62.696 61.300 -0.287 0.000 1.363 158 I CB -0.225 37.694 38.000 -0.135 0.000 1.051 158 I HN 0.183 nan 8.210 nan 0.000 0.413 159 K N -0.262 120.037 120.400 -0.169 0.000 2.296 159 K HA -0.050 4.270 4.320 -0.001 0.000 0.200 159 K C 1.759 178.236 176.600 -0.204 0.000 1.048 159 K CA 1.595 57.785 56.287 -0.162 0.000 0.966 159 K CB -0.028 32.389 32.500 -0.139 0.000 0.754 159 K HN 0.464 nan 8.250 nan 0.000 0.466 160 T N -2.010 112.415 114.554 -0.214 0.000 3.069 160 T HA 0.273 4.623 4.350 -0.001 0.000 0.252 160 T C 0.563 175.128 174.700 -0.224 0.000 1.053 160 T CA -0.267 61.711 62.100 -0.203 0.000 0.964 160 T CB 0.049 68.824 68.868 -0.156 0.000 1.005 160 T HN -0.096 nan 8.240 nan 0.000 0.532 161 I N 2.649 123.034 120.570 -0.308 0.000 2.328 161 I HA 0.326 4.495 4.170 -0.001 0.000 0.287 161 I C -1.856 174.038 176.117 -0.371 0.000 1.012 161 I CA -2.905 58.160 61.300 -0.392 0.000 1.195 161 I CB 2.405 40.012 38.000 -0.656 0.000 1.350 161 I HN -0.135 nan 8.210 nan 0.000 0.464 162 P HA -0.166 nan 4.420 nan 0.000 0.215 162 P C 1.029 178.206 177.300 -0.204 0.000 1.153 162 P CA 1.334 64.320 63.100 -0.190 0.000 0.853 162 P CB 0.319 31.945 31.700 -0.124 0.000 0.788 163 E N -0.791 119.246 120.200 -0.272 0.000 2.110 163 E HA -0.118 4.231 4.350 -0.001 0.000 0.193 163 E C 1.985 178.445 176.600 -0.233 0.000 0.988 163 E CA 0.962 57.232 56.400 -0.217 0.000 0.804 163 E CB -0.801 28.788 29.700 -0.186 0.000 0.745 163 E HN 0.231 nan 8.360 nan 0.000 0.458 164 L N 0.279 121.236 121.223 -0.443 0.000 2.095 164 L HA -0.085 4.254 4.340 -0.001 0.000 0.204 164 L C 2.518 179.313 176.870 -0.123 0.000 1.080 164 L CA 1.134 55.747 54.840 -0.378 0.000 0.759 164 L CB -0.599 40.983 42.059 -0.795 0.000 0.914 164 L HN 0.213 nan 8.230 nan 0.000 0.439 165 S N 0.254 115.849 115.700 -0.176 0.000 2.383 165 S HA -0.293 4.176 4.470 -0.001 0.000 0.229 165 S C 2.045 176.621 174.600 -0.039 0.000 1.030 165 S CA 1.612 59.759 58.200 -0.088 0.000 1.002 165 S CB -0.335 62.790 63.200 -0.124 0.000 0.829 165 S HN 0.351 nan 8.310 nan 0.000 0.467 166 K N 0.892 121.261 120.400 -0.052 0.000 2.097 166 K HA 0.025 4.344 4.320 -0.001 0.000 0.206 166 K C 2.098 178.697 176.600 -0.001 0.000 1.049 166 K CA 1.522 57.793 56.287 -0.027 0.000 0.933 166 K CB -0.383 32.098 32.500 -0.031 0.000 0.717 166 K HN 0.518 nan 8.250 nan 0.000 0.442 167 I N 1.514 122.101 120.570 0.029 0.000 2.264 167 I HA -0.256 3.914 4.170 -0.001 0.000 0.248 167 I C 1.938 178.050 176.117 -0.009 0.000 1.111 167 I CA 1.240 62.561 61.300 0.035 0.000 1.382 167 I CB -0.144 37.931 38.000 0.126 0.000 1.060 167 I HN 0.310 nan 8.210 nan 0.000 0.418 168 I N -2.804 117.771 120.570 0.008 0.000 3.976 168 I HA 0.488 4.658 4.170 -0.001 0.000 0.337 168 I C 1.208 177.336 176.117 0.017 0.000 1.359 168 I CA 0.326 61.620 61.300 -0.010 0.000 1.098 168 I CB 0.293 38.274 38.000 -0.031 0.000 1.027 168 I HN 0.195 nan 8.210 nan 0.000 0.394 169 G N 1.916 110.721 108.800 0.007 0.000 2.141 169 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.242 169 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.242 169 G C 0.025 174.925 174.900 0.001 0.000 0.982 169 G CA 0.101 45.203 45.100 0.004 0.000 0.662 169 G HN 0.387 nan 8.290 nan 0.000 0.527 170 L N 0.635 121.855 121.223 -0.006 0.000 2.468 170 L HA 0.579 4.919 4.340 -0.001 0.000 0.254 170 L C 1.531 178.376 176.870 -0.041 0.000 1.171 170 L CA -0.161 54.666 54.840 -0.022 0.000 0.809 170 L CB 1.067 43.108 42.059 -0.030 0.000 1.155 170 L HN 0.246 nan 8.230 nan 0.000 0.473 171 S N 0.008 115.675 115.700 -0.055 0.000 2.537 171 S HA -0.006 4.463 4.470 -0.001 0.000 0.286 171 S C 0.610 175.159 174.600 -0.085 0.000 1.299 171 S CA -0.292 57.869 58.200 -0.064 0.000 1.067 171 S CB 0.212 63.368 63.200 -0.074 0.000 0.864 171 S HN 0.627 nan 8.310 nan 0.000 0.494 172 E N 2.806 122.963 120.200 -0.071 0.000 2.465 172 E HA 0.137 4.487 4.350 -0.001 0.000 0.195 172 E C -0.210 176.346 176.600 -0.073 0.000 1.028 172 E CA -0.187 56.163 56.400 -0.082 0.000 0.899 172 E CB 0.262 29.922 29.700 -0.067 0.000 1.032 172 E HN 0.555 nan 8.360 nan 0.000 0.468 173 D N 1.220 121.580 120.400 -0.065 0.000 2.349 173 D HA 0.072 4.712 4.640 -0.001 0.000 0.214 173 D C -0.130 176.146 176.300 -0.040 0.000 1.063 173 D CA 0.334 54.312 54.000 -0.037 0.000 0.847 173 D CB 0.394 41.187 40.800 -0.012 0.000 0.933 173 D HN 0.047 nan 8.370 nan 0.000 0.513 174 K N 1.399 121.722 120.400 -0.129 0.000 2.213 174 K HA 0.141 4.461 4.320 -0.001 0.000 0.270 174 K C -0.140 176.343 176.600 -0.194 0.000 1.002 174 K CA -0.441 55.688 56.287 -0.263 0.000 0.868 174 K CB 1.457 33.623 32.500 -0.557 0.000 1.093 174 K HN -0.131 nan 8.250 nan 0.000 0.454 175 D N 1.937 122.317 120.400 -0.033 0.000 2.463 175 D HA 0.027 4.667 4.640 -0.001 0.000 0.224 175 D C -0.437 175.908 176.300 0.075 0.000 1.174 175 D CA -0.187 53.814 54.000 0.001 0.000 0.829 175 D CB -0.260 40.566 40.800 0.043 0.000 0.993 175 D HN 0.459 nan 8.370 nan 0.000 0.497 176 Y N -1.550 118.718 120.300 -0.054 0.000 2.625 176 Y HA 0.671 5.221 4.550 -0.001 0.000 0.338 176 Y C -1.099 174.773 175.900 -0.045 0.000 1.123 176 Y CA -1.835 56.238 58.100 -0.046 0.000 1.046 176 Y CB 1.114 39.553 38.460 -0.035 0.000 1.299 176 Y HN -0.093 nan 8.280 nan 0.000 0.464 177 V N -1.383 118.565 119.914 0.057 0.000 2.769 177 V HA 0.492 4.612 4.120 -0.001 0.000 0.312 177 V C -0.266 175.915 176.094 0.146 0.000 1.061 177 V CA -0.656 61.638 62.300 -0.012 0.000 0.931 177 V CB 2.029 33.827 31.823 -0.041 0.000 1.010 177 V HN 0.934 nan 8.190 nan 0.000 0.433 178 D N 1.135 121.597 120.400 0.103 0.000 2.219 178 D HA 0.027 4.667 4.640 -0.001 0.000 0.205 178 D C 0.218 176.554 176.300 0.060 0.000 0.970 178 D CA 1.956 56.023 54.000 0.110 0.000 0.851 178 D CB 0.253 41.099 40.800 0.077 0.000 0.943 178 D HN 0.858 nan 8.370 nan 0.000 0.488 179 D N -1.180 119.238 120.400 0.030 0.000 2.613 179 D HA 0.051 4.691 4.640 -0.001 0.000 0.230 179 D C -0.092 176.210 176.300 0.004 0.000 1.365 179 D CA -0.298 53.713 54.000 0.018 0.000 0.976 179 D CB 1.447 42.254 40.800 0.012 0.000 1.415 179 D HN -0.271 nan 8.370 nan 0.000 0.589 180 S N 3.024 118.733 115.700 0.015 0.000 2.603 180 S HA 0.038 4.508 4.470 -0.001 0.000 0.220 180 S C 0.869 175.480 174.600 0.018 0.000 0.967 180 S CA 0.215 58.422 58.200 0.012 0.000 0.920 180 S CB -0.082 63.130 63.200 0.020 0.000 0.773 180 S HN 0.414 nan 8.310 nan 0.000 0.529 181 N N 1.046 119.759 118.700 0.022 0.000 2.236 181 N HA 0.161 4.900 4.740 -0.001 0.000 0.196 181 N C -0.455 175.076 175.510 0.036 0.000 1.114 181 N CA 0.074 53.146 53.050 0.038 0.000 0.859 181 N CB 0.723 39.238 38.487 0.047 0.000 0.982 181 N HN 0.178 nan 8.380 nan 0.000 0.493 182 V N 2.864 122.772 119.914 -0.010 0.000 2.485 182 V HA -0.039 4.081 4.120 -0.001 0.000 0.287 182 V C 0.817 176.884 176.094 -0.046 0.000 1.022 182 V CA 0.305 62.556 62.300 -0.082 0.000 1.067 182 V CB 0.868 32.567 31.823 -0.208 0.000 0.967 182 V HN 0.267 nan 8.190 nan 0.000 0.479 183 D N 3.582 124.010 120.400 0.046 0.000 2.479 183 D HA 0.138 4.778 4.640 -0.001 0.000 0.218 183 D C -0.208 176.223 176.300 0.219 0.000 1.177 183 D CA -0.211 53.870 54.000 0.135 0.000 0.830 183 D CB 0.086 40.993 40.800 0.177 0.000 1.014 183 D HN 0.385 nan 8.370 nan 0.000 0.503 184 F N -1.035 118.960 119.950 0.075 0.000 2.629 184 F HA 0.773 5.300 4.527 -0.001 0.000 0.316 184 F C -1.896 173.949 175.800 0.076 0.000 1.081 184 F CA -1.678 56.362 58.000 0.067 0.000 0.954 184 F CB 1.475 40.503 39.000 0.046 0.000 1.337 184 F HN -0.171 nan 8.300 nan 0.000 0.474 185 L N 1.286 122.618 121.223 0.182 0.000 2.482 185 L HA 0.746 5.086 4.340 -0.001 0.000 0.263 185 L C -1.318 175.669 176.870 0.195 0.000 0.957 185 L CA -0.005 54.901 54.840 0.110 0.000 0.836 185 L CB 2.622 44.782 42.059 0.168 0.000 1.324 185 L HN 0.879 nan 8.230 nan 0.000 0.406 186 T N 2.626 117.288 114.554 0.180 0.000 2.881 186 T HA 0.761 5.111 4.350 -0.001 0.000 0.291 186 T C -0.603 174.168 174.700 0.119 0.000 0.990 186 T CA -0.327 61.861 62.100 0.146 0.000 0.976 186 T CB 1.376 70.341 68.868 0.161 0.000 0.970 186 T HN 0.818 nan 8.240 nan 0.000 0.438 187 T N 0.453 115.076 114.554 0.114 0.000 2.841 187 T HA 0.570 4.920 4.350 -0.001 0.000 0.296 187 T C -2.253 172.490 174.700 0.072 0.000 1.166 187 T CA -1.894 60.265 62.100 0.098 0.000 1.007 187 T CB 1.454 70.398 68.868 0.126 0.000 1.253 187 T HN 0.080 nan 8.240 nan 0.000 0.511 188 P HA 0.032 nan 4.420 nan 0.000 0.216 188 P C 0.919 178.242 177.300 0.039 0.000 1.150 188 P CA 1.127 64.248 63.100 0.034 0.000 0.837 188 P CB 0.152 31.868 31.700 0.027 0.000 0.786 189 K N -3.532 116.911 120.400 0.071 0.000 2.402 189 K HA 0.150 4.470 4.320 -0.001 0.000 0.204 189 K C -0.350 176.358 176.600 0.181 0.000 1.056 189 K CA -0.138 56.208 56.287 0.098 0.000 1.069 189 K CB 0.801 33.363 32.500 0.103 0.000 0.888 189 K HN 0.152 nan 8.250 nan 0.000 0.546 190 Y N 1.091 121.395 120.300 0.008 0.000 2.361 190 Y HA 0.349 4.898 4.550 -0.001 0.000 0.328 190 Y C -1.638 174.279 175.900 0.028 0.000 1.044 190 Y CA -0.951 57.148 58.100 -0.001 0.000 1.085 190 Y CB 0.958 39.339 38.460 -0.132 0.000 1.194 190 Y HN -0.200 nan 8.280 nan 0.000 0.438 191 L N 5.734 126.651 121.223 -0.510 0.000 2.334 191 L HA 0.937 5.277 4.340 -0.001 0.000 0.276 191 L C -0.441 176.040 176.870 -0.648 0.000 1.014 191 L CA -1.280 53.332 54.840 -0.381 0.000 0.815 191 L CB 1.941 43.899 42.059 -0.169 0.000 1.268 191 L HN 0.770 nan 8.230 nan 0.000 0.428 192 A N 3.253 125.912 122.820 -0.267 0.000 2.303 192 A HA 0.841 5.160 4.320 -0.001 0.000 0.320 192 A C -0.726 176.899 177.584 0.069 0.000 1.192 192 A CA -0.678 51.312 52.037 -0.078 0.000 0.821 192 A CB 0.930 20.010 19.000 0.134 0.000 1.188 192 A HN 0.627 nan 8.150 nan 0.000 0.492 193 R N 2.934 123.476 120.500 0.070 0.000 2.502 193 R HA 0.469 4.809 4.340 -0.001 0.000 0.300 193 R C -3.198 173.173 176.300 0.118 0.000 0.984 193 R CA -1.929 54.232 56.100 0.102 0.000 0.882 193 R CB 2.429 32.760 30.300 0.052 0.000 1.180 193 R HN 0.578 nan 8.270 nan 0.000 0.444 194 P HA 0.251 nan 4.420 nan 0.000 0.285 194 P C -0.579 176.784 177.300 0.106 0.000 1.259 194 P CA -0.328 62.852 63.100 0.133 0.000 0.794 194 P CB 1.342 33.137 31.700 0.158 0.000 0.940 195 C N 3.297 122.646 119.300 0.082 0.000 2.989 195 C HA 0.223 4.682 4.460 -0.001 0.000 0.397 195 C C -0.927 174.032 174.990 -0.053 0.000 1.022 195 C CA -0.524 58.531 59.018 0.063 0.000 1.232 195 C CB 0.921 28.743 27.740 0.138 0.000 1.638 195 C HN 0.631 nan 8.230 nan 0.000 0.534 196 D N 4.176 124.542 120.400 -0.056 0.000 2.344 196 D HA 0.190 4.829 4.640 -0.001 0.000 0.253 196 D C 1.102 177.309 176.300 -0.156 0.000 1.255 196 D CA -0.004 53.869 54.000 -0.211 0.000 0.894 196 D CB 0.713 41.511 40.800 -0.003 0.000 1.067 196 D HN 0.657 nan 8.370 nan 0.000 0.492 197 L N 3.475 124.545 121.223 -0.254 0.000 2.450 197 L HA -0.115 4.224 4.340 -0.001 0.000 0.224 197 L C 1.768 178.554 176.870 -0.139 0.000 1.149 197 L CA 0.301 55.017 54.840 -0.207 0.000 0.816 197 L CB -0.295 41.600 42.059 -0.273 0.000 0.932 197 L HN 0.376 nan 8.230 nan 0.000 0.449 198 N N -0.381 118.266 118.700 -0.088 0.000 2.453 198 N HA -0.124 4.615 4.740 -0.001 0.000 0.183 198 N C 0.628 176.137 175.510 -0.000 0.000 1.041 198 N CA 0.779 53.813 53.050 -0.026 0.000 0.900 198 N CB -0.138 38.361 38.487 0.020 0.000 0.961 198 N HN 0.227 nan 8.380 nan 0.000 0.443 199 D N 0.439 120.846 120.400 0.011 0.000 2.522 199 D HA 0.167 4.807 4.640 -0.001 0.000 0.218 199 D C 0.467 176.810 176.300 0.072 0.000 1.149 199 D CA -0.120 53.905 54.000 0.043 0.000 0.981 199 D CB 0.329 41.161 40.800 0.054 0.000 1.041 199 D HN -0.036 nan 8.370 nan 0.000 0.518 200 S N 2.887 118.624 115.700 0.062 0.000 2.383 200 S HA -0.223 4.247 4.470 -0.001 0.000 0.229 200 S C 1.771 176.458 174.600 0.144 0.000 1.030 200 S CA 0.899 59.162 58.200 0.105 0.000 1.002 200 S CB 0.087 63.323 63.200 0.061 0.000 0.829 200 S HN 0.571 nan 8.310 nan 0.000 0.467 201 K N 1.170 121.624 120.400 0.090 0.000 2.057 201 K HA -0.002 4.318 4.320 -0.001 0.000 0.206 201 K C 2.285 178.930 176.600 0.075 0.000 1.050 201 K CA 1.252 57.581 56.287 0.070 0.000 0.935 201 K CB -0.244 32.283 32.500 0.045 0.000 0.715 201 K HN 0.367 nan 8.250 nan 0.000 0.439 202 M N 0.088 119.742 119.600 0.090 0.000 2.175 202 M HA -0.120 4.360 4.480 -0.001 0.000 0.264 202 M C 1.847 178.214 176.300 0.112 0.000 1.063 202 M CA 1.405 56.755 55.300 0.084 0.000 1.119 202 M CB -0.153 32.497 32.600 0.084 0.000 1.377 202 M HN 0.240 nan 8.290 nan 0.000 0.415 203 F N 0.234 120.190 119.950 0.010 0.000 2.146 203 F HA -0.144 4.383 4.527 -0.001 0.000 0.298 203 F C 2.180 177.994 175.800 0.024 0.000 1.096 203 F CA 1.878 59.888 58.000 0.016 0.000 1.275 203 F CB -0.573 38.433 39.000 0.009 0.000 1.008 203 F HN 0.101 nan 8.300 nan 0.000 0.480 204 S N -0.457 115.232 115.700 -0.018 0.000 2.382 204 S HA -0.178 4.292 4.470 -0.001 0.000 0.228 204 S C 1.951 176.481 174.600 -0.116 0.000 1.027 204 S CA 1.706 59.841 58.200 -0.109 0.000 0.991 204 S CB -0.647 62.558 63.200 0.009 0.000 0.823 204 S HN 0.480 nan 8.310 nan 0.000 0.469 205 T N 2.595 117.114 114.554 -0.058 0.000 2.746 205 T HA -0.032 4.317 4.350 -0.001 0.000 0.267 205 T C 1.741 176.399 174.700 -0.071 0.000 1.039 205 T CA 0.945 63.019 62.100 -0.043 0.000 1.142 205 T CB -0.405 68.454 68.868 -0.015 0.000 0.866 205 T HN 0.168 nan 8.240 nan 0.000 0.444 206 L N 1.157 122.314 121.223 -0.110 0.000 2.046 206 L HA 0.025 4.365 4.340 -0.001 0.000 0.208 206 L C 2.135 178.907 176.870 -0.162 0.000 1.077 206 L CA 1.542 56.310 54.840 -0.120 0.000 0.747 206 L CB -0.833 41.167 42.059 -0.099 0.000 0.896 206 L HN 0.262 nan 8.230 nan 0.000 0.432 207 L N -0.444 120.611 121.223 -0.279 0.000 2.079 207 L HA -0.246 4.093 4.340 -0.001 0.000 0.210 207 L C 2.255 179.086 176.870 -0.065 0.000 1.081 207 L CA 1.291 56.012 54.840 -0.198 0.000 0.752 207 L CB -0.788 41.124 42.059 -0.245 0.000 0.896 207 L HN 0.390 nan 8.230 nan 0.000 0.433 208 N N -0.063 118.634 118.700 -0.005 0.000 2.250 208 N HA -0.133 4.606 4.740 -0.001 0.000 0.181 208 N C 1.720 177.279 175.510 0.082 0.000 1.017 208 N CA 0.971 54.106 53.050 0.141 0.000 0.866 208 N CB -0.104 38.465 38.487 0.136 0.000 0.985 208 N HN 0.400 nan 8.380 nan 0.000 0.429 209 E N -0.012 120.190 120.200 0.003 0.000 2.118 209 E HA -0.096 4.254 4.350 -0.001 0.000 0.195 209 E C 1.153 177.719 176.600 -0.055 0.000 0.992 209 E CA 0.853 57.240 56.400 -0.021 0.000 0.804 209 E CB -0.058 29.616 29.700 -0.042 0.000 0.741 209 E HN 0.325 nan 8.360 nan 0.000 0.458 210 C N 0.403 119.652 119.300 -0.086 0.000 2.626 210 C HA 0.089 4.548 4.460 -0.001 0.000 0.266 210 C C 0.503 175.369 174.990 -0.206 0.000 1.317 210 C CA -0.208 58.737 59.018 -0.121 0.000 1.716 210 C CB -1.086 26.590 27.740 -0.107 0.000 1.819 210 C HN 0.441 nan 8.230 nan 0.000 0.578 211 Q N -0.719 118.902 119.800 -0.298 0.000 2.481 211 Q HA -0.224 4.115 4.340 -0.001 0.000 0.272 211 Q C 0.660 176.195 176.000 -0.774 0.000 1.157 211 Q CA 0.332 55.700 55.803 -0.726 0.000 0.935 211 Q CB -1.570 26.885 28.738 -0.472 0.000 1.338 211 Q HN 0.691 nan 8.270 nan 0.000 0.494 212 L N -0.394 120.556 121.223 -0.454 0.000 2.610 212 L HA -0.088 4.252 4.340 -0.001 0.000 0.232 212 L C 1.710 178.485 176.870 -0.158 0.000 1.149 212 L CA 0.837 55.538 54.840 -0.231 0.000 0.872 212 L CB -0.417 41.619 42.059 -0.039 0.000 0.992 212 L HN 0.480 nan 8.230 nan 0.000 0.447 213 Y N -2.550 117.748 120.300 -0.003 0.000 2.546 213 Y HA 0.107 4.657 4.550 -0.001 0.000 0.287 213 Y C 0.923 176.812 175.900 -0.019 0.000 1.158 213 Y CA -0.887 57.210 58.100 -0.005 0.000 1.307 213 Y CB -0.690 37.760 38.460 -0.016 0.000 1.036 213 Y HN 0.005 nan 8.280 nan 0.000 0.532 214 D N 4.238 124.566 120.400 -0.121 0.000 2.389 214 D HA -0.007 4.633 4.640 -0.001 0.000 0.263 214 D C -1.454 174.831 176.300 -0.025 0.000 1.255 214 D CA -2.090 51.892 54.000 -0.030 0.000 0.914 214 D CB 1.281 41.996 40.800 -0.141 0.000 1.116 214 D HN 0.158 nan 8.370 nan 0.000 0.502 215 P HA -0.088 nan 4.420 nan 0.000 0.229 215 P C 0.761 178.015 177.300 -0.078 0.000 1.160 215 P CA 0.422 63.498 63.100 -0.041 0.000 0.777 215 P CB 0.398 32.082 31.700 -0.026 0.000 0.814 216 N N -0.278 118.384 118.700 -0.063 0.000 2.461 216 N HA 0.014 4.753 4.740 -0.001 0.000 0.188 216 N C -0.245 175.212 175.510 -0.089 0.000 1.134 216 N CA 0.208 53.215 53.050 -0.072 0.000 0.878 216 N CB -0.043 38.413 38.487 -0.052 0.000 0.972 216 N HN -0.104 nan 8.380 nan 0.000 0.456 217 V N 1.029 120.882 119.914 -0.101 0.000 2.417 217 V HA 0.336 4.455 4.120 -0.001 0.000 0.291 217 V C -0.174 175.846 176.094 -0.124 0.000 1.024 217 V CA -0.981 61.249 62.300 -0.116 0.000 0.861 217 V CB 1.816 33.561 31.823 -0.131 0.000 0.985 217 V HN -0.232 nan 8.190 nan 0.000 0.436 218 V N 5.328 125.168 119.914 -0.123 0.000 2.461 218 V HA 0.346 4.465 4.120 -0.001 0.000 0.275 218 V C 0.177 176.203 176.094 -0.114 0.000 1.047 218 V CA -0.550 61.693 62.300 -0.095 0.000 0.955 218 V CB 1.332 33.123 31.823 -0.053 0.000 0.988 218 V HN 0.786 nan 8.190 nan 0.000 0.471 219 K N 3.459 123.817 120.400 -0.070 0.000 2.138 219 K HA 0.681 5.001 4.320 -0.001 0.000 0.263 219 K C -0.942 175.548 176.600 -0.184 0.000 0.965 219 K CA -0.379 55.769 56.287 -0.231 0.000 0.868 219 K CB 1.883 34.215 32.500 -0.280 0.000 1.083 219 K HN 0.416 nan 8.250 nan 0.000 0.443 220 V N 4.211 123.882 119.914 -0.405 0.000 2.398 220 V HA 0.368 4.487 4.120 -0.001 0.000 0.282 220 V C -1.109 174.721 176.094 -0.440 0.000 1.014 220 V CA -0.805 61.321 62.300 -0.290 0.000 0.838 220 V CB 0.234 31.874 31.823 -0.305 0.000 1.018 220 V HN 0.562 nan 8.190 nan 0.000 0.432 221 F N 3.455 123.300 119.950 -0.175 0.000 2.420 221 F HA 0.554 5.080 4.527 -0.001 0.000 0.352 221 F C 0.327 175.767 175.800 -0.600 0.000 1.108 221 F CA -0.430 57.332 58.000 -0.397 0.000 1.162 221 F CB 1.492 40.168 39.000 -0.540 0.000 1.118 221 F HN 0.183 nan 8.300 nan 0.000 0.510 222 V N 3.069 122.819 119.914 -0.273 0.000 2.487 222 V HA 0.725 4.845 4.120 -0.001 0.000 0.298 222 V C -0.357 175.648 176.094 -0.149 0.000 1.028 222 V CA -0.902 61.265 62.300 -0.222 0.000 0.860 222 V CB 1.621 33.376 31.823 -0.113 0.000 0.991 222 V HN 0.842 nan 8.190 nan 0.000 0.427 223 A N 3.747 126.524 122.820 -0.071 0.000 2.586 223 A HA 0.569 4.889 4.320 -0.001 0.000 0.320 223 A C -0.217 177.414 177.584 0.077 0.000 1.281 223 A CA -0.427 51.645 52.037 0.059 0.000 0.775 223 A CB 0.334 19.461 19.000 0.213 0.000 1.122 223 A HN 0.838 nan 8.150 nan 0.000 0.470 224 E N 2.380 122.619 120.200 0.066 0.000 2.014 224 E HA 0.421 4.770 4.350 -0.001 0.000 0.275 224 E C -0.231 176.437 176.600 0.113 0.000 0.997 224 E CA -0.432 56.015 56.400 0.079 0.000 0.804 224 E CB 0.326 30.068 29.700 0.069 0.000 1.090 224 E HN 0.756 nan 8.360 nan 0.000 0.401 225 V N 3.806 123.778 119.914 0.097 0.000 5.726 225 V HA -0.352 3.767 4.120 -0.001 0.000 0.260 225 V C 0.806 176.965 176.094 0.108 0.000 0.657 225 V CA 1.477 63.818 62.300 0.067 0.000 0.584 225 V CB -2.654 29.282 31.823 0.188 0.000 0.241 225 V HN 0.784 nan 8.190 nan 0.000 0.652 226 S N -1.401 114.346 115.700 0.077 0.000 3.608 226 S HA 0.248 4.717 4.470 -0.001 0.000 0.234 226 S C 1.054 175.726 174.600 0.120 0.000 1.077 226 S CA 0.440 58.749 58.200 0.183 0.000 0.827 226 S CB -0.013 63.271 63.200 0.140 0.000 0.964 226 S HN 0.338 nan 8.310 nan 0.000 0.547 227 L N 3.064 124.314 121.223 0.044 0.000 2.261 227 L HA 0.199 4.539 4.340 -0.001 0.000 0.216 227 L C 2.836 179.666 176.870 -0.067 0.000 1.114 227 L CA 1.380 56.222 54.840 0.003 0.000 0.777 227 L CB -1.224 40.843 42.059 0.014 0.000 0.910 227 L HN 0.588 nan 8.230 nan 0.000 0.440 228 A N -1.287 121.421 122.820 -0.186 0.000 1.986 228 A HA -0.260 4.060 4.320 -0.001 0.000 0.220 228 A C 2.037 179.393 177.584 -0.380 0.000 1.171 228 A CA 1.797 53.618 52.037 -0.359 0.000 0.640 228 A CB -0.934 17.715 19.000 -0.584 0.000 0.811 228 A HN 0.523 nan 8.150 nan 0.000 0.451 229 Y N -1.132 119.152 120.300 -0.027 0.000 2.544 229 Y HA 0.232 4.781 4.550 -0.001 0.000 0.286 229 Y C 1.112 177.013 175.900 0.001 0.000 1.141 229 Y CA -0.130 57.964 58.100 -0.010 0.000 1.299 229 Y CB -0.207 38.275 38.460 0.037 0.000 1.030 229 Y HN 0.196 nan 8.280 nan 0.000 0.543 230 M N 0.465 120.119 119.600 0.090 0.000 2.342 230 M HA 0.201 4.681 4.480 -0.001 0.000 0.332 230 M C 0.060 176.374 176.300 0.023 0.000 1.166 230 M CA -0.406 54.929 55.300 0.059 0.000 1.086 230 M CB 1.021 33.635 32.600 0.024 0.000 1.541 230 M HN -0.078 nan 8.290 nan 0.000 0.462 231 K N 2.119 122.532 120.400 0.022 0.000 2.469 231 K HA 0.017 4.336 4.320 -0.001 0.000 0.274 231 K C -1.748 174.852 176.600 0.000 0.000 0.983 231 K CA -1.039 55.252 56.287 0.005 0.000 0.974 231 K CB 0.072 32.575 32.500 0.006 0.000 0.913 231 K HN 0.300 nan 8.250 nan 0.000 0.493 232 P HA -0.199 nan 4.420 nan 0.000 0.216 232 P C 0.440 177.754 177.300 0.024 0.000 1.150 232 P CA 1.422 64.550 63.100 0.046 0.000 0.843 232 P CB 0.185 31.882 31.700 -0.005 0.000 0.787 233 E N -0.709 119.488 120.200 -0.004 0.000 2.110 233 E HA -0.161 4.188 4.350 -0.001 0.000 0.193 233 E C 2.171 178.757 176.600 -0.024 0.000 0.988 233 E CA 0.806 57.198 56.400 -0.013 0.000 0.804 233 E CB -0.181 29.510 29.700 -0.014 0.000 0.745 233 E HN 0.226 nan 8.360 nan 0.000 0.458 234 R N 0.402 120.888 120.500 -0.023 0.000 2.062 234 R HA -0.023 4.317 4.340 -0.001 0.000 0.226 234 R C 2.668 178.926 176.300 -0.070 0.000 1.125 234 R CA 1.400 57.479 56.100 -0.036 0.000 0.966 234 R CB -0.691 29.596 30.300 -0.021 0.000 0.861 234 R HN 0.191 nan 8.270 nan 0.000 0.433 235 S N 1.414 117.074 115.700 -0.067 0.000 2.382 235 S HA -0.130 4.340 4.470 -0.001 0.000 0.228 235 S C 1.404 175.903 174.600 -0.169 0.000 1.027 235 S CA 1.355 59.490 58.200 -0.108 0.000 0.991 235 S CB -0.228 62.920 63.200 -0.086 0.000 0.823 235 S HN 0.120 nan 8.310 nan 0.000 0.469 236 D N 1.717 122.032 120.400 -0.142 0.000 2.178 236 D HA 0.021 4.661 4.640 -0.001 0.000 0.201 236 D C 2.119 178.325 176.300 -0.156 0.000 0.980 236 D CA 1.187 55.072 54.000 -0.192 0.000 0.842 236 D CB -0.560 40.175 40.800 -0.107 0.000 0.948 236 D HN 0.427 nan 8.370 nan 0.000 0.472 237 S N 0.142 115.783 115.700 -0.098 0.000 2.382 237 S HA -0.076 4.394 4.470 -0.001 0.000 0.228 237 S C 1.953 176.523 174.600 -0.050 0.000 1.027 237 S CA 0.349 58.514 58.200 -0.057 0.000 0.991 237 S CB 0.076 63.258 63.200 -0.030 0.000 0.823 237 S HN 0.222 nan 8.310 nan 0.000 0.469 238 I N 1.583 122.077 120.570 -0.126 0.000 2.202 238 I HA -0.122 4.047 4.170 -0.001 0.000 0.242 238 I C 2.135 178.217 176.117 -0.058 0.000 1.091 238 I CA 1.268 62.454 61.300 -0.190 0.000 1.368 238 I CB -1.192 36.578 38.000 -0.383 0.000 1.058 238 I HN 0.284 nan 8.210 nan 0.000 0.410 239 I N 0.672 121.123 120.570 -0.198 0.000 2.163 239 I HA -0.322 3.847 4.170 -0.001 0.000 0.243 239 I C 2.608 178.708 176.117 -0.028 0.000 1.085 239 I CA 1.553 62.651 61.300 -0.337 0.000 1.347 239 I CB -0.385 37.150 38.000 -0.775 0.000 1.044 239 I HN 0.303 nan 8.210 nan 0.000 0.408 240 E N 1.017 121.182 120.200 -0.060 0.000 2.110 240 E HA -0.226 4.124 4.350 -0.001 0.000 0.193 240 E C 2.267 178.887 176.600 0.033 0.000 0.988 240 E CA 1.157 57.551 56.400 -0.009 0.000 0.804 240 E CB -0.008 29.667 29.700 -0.041 0.000 0.745 240 E HN 0.494 nan 8.360 nan 0.000 0.458 241 A N 0.501 123.368 122.820 0.079 0.000 1.933 241 A HA -0.195 4.124 4.320 -0.001 0.000 0.218 241 A C 2.404 180.032 177.584 0.073 0.000 1.175 241 A CA 2.204 54.308 52.037 0.111 0.000 0.628 241 A CB -1.090 18.062 19.000 0.253 0.000 0.814 241 A HN 0.503 nan 8.150 nan 0.000 0.444 242 T N -1.851 112.754 114.554 0.085 0.000 2.995 242 T HA -0.110 4.240 4.350 -0.001 0.000 0.269 242 T C 1.941 176.686 174.700 0.074 0.000 1.091 242 T CA 1.655 63.698 62.100 -0.095 0.000 1.128 242 T CB -0.712 67.865 68.868 -0.484 0.000 0.891 242 T HN 0.698 nan 8.240 nan 0.000 0.492 243 S N 1.833 117.547 115.700 0.023 0.000 2.442 243 S HA -0.049 4.421 4.470 -0.001 0.000 0.236 243 S C 1.785 176.260 174.600 -0.208 0.000 1.007 243 S CA 0.291 58.257 58.200 -0.389 0.000 0.965 243 S CB -0.425 62.501 63.200 -0.458 0.000 0.773 243 S HN 0.435 nan 8.310 nan 0.000 0.504 244 K N 0.770 121.128 120.400 -0.069 0.000 2.487 244 K HA 0.248 4.568 4.320 -0.001 0.000 0.192 244 K C 0.074 176.688 176.600 0.023 0.000 1.027 244 K CA 0.120 56.388 56.287 -0.031 0.000 1.054 244 K CB -0.225 32.267 32.500 -0.013 0.000 0.824 244 K HN 0.465 nan 8.250 nan 0.000 0.510 245 M N 1.827 121.469 119.600 0.069 0.000 2.077 245 M HA 0.164 4.644 4.480 -0.001 0.000 0.348 245 M C 0.056 176.420 176.300 0.106 0.000 1.252 245 M CA -1.031 54.350 55.300 0.134 0.000 1.096 245 M CB 0.553 33.305 32.600 0.253 0.000 1.568 245 M HN -0.052 nan 8.290 nan 0.000 0.456 246 E N 4.361 124.597 120.200 0.059 0.000 2.502 246 E HA -0.058 4.291 4.350 -0.001 0.000 0.261 246 E C -0.177 176.403 176.600 -0.034 0.000 0.974 246 E CA 0.867 57.273 56.400 0.010 0.000 0.936 246 E CB 0.201 29.896 29.700 -0.008 0.000 0.926 246 E HN 0.573 nan 8.360 nan 0.000 0.459 247 N N 2.429 121.067 118.700 -0.102 0.000 2.753 247 N HA -0.158 4.582 4.740 -0.001 0.000 0.252 247 N C -1.490 174.012 175.510 -0.014 0.000 1.071 247 N CA 1.081 53.899 53.050 -0.387 0.000 0.690 247 N CB -1.507 36.637 38.487 -0.571 0.000 0.906 247 N HN 0.284 nan 8.380 nan 0.000 0.552 248 S N 0.086 115.959 115.700 0.288 0.000 2.536 248 S HA 0.511 4.981 4.470 -0.001 0.000 0.298 248 S C -0.364 174.546 174.600 0.517 0.000 1.083 248 S CA -0.675 57.806 58.200 0.468 0.000 0.995 248 S CB 2.155 65.744 63.200 0.648 0.000 1.058 248 S HN 0.250 nan 8.310 nan 0.000 0.488 249 H N 0.473 119.807 119.070 0.441 0.000 2.573 249 H HA 0.478 5.033 4.556 -0.001 0.000 0.351 249 H C -1.522 174.032 175.328 0.377 0.000 1.163 249 H CA -0.410 55.850 56.048 0.354 0.000 1.205 249 H CB 1.684 31.501 29.762 0.092 0.000 1.605 249 H HN 0.510 nan 8.280 nan 0.000 0.525 250 F N 2.481 122.523 119.950 0.153 0.000 2.536 250 F HA 0.398 4.925 4.527 -0.001 0.000 0.322 250 F C -0.944 174.792 175.800 -0.106 0.000 1.144 250 F CA -0.624 57.364 58.000 -0.020 0.000 0.924 250 F CB 0.844 39.610 39.000 -0.390 0.000 1.181 250 F HN 0.317 nan 8.300 nan 0.000 0.438 251 I N 7.693 128.244 120.570 -0.031 0.000 2.382 251 I HA 0.431 4.601 4.170 -0.001 0.000 0.286 251 I C -0.872 175.280 176.117 0.058 0.000 1.002 251 I CA -0.612 60.660 61.300 -0.048 0.000 1.135 251 I CB 1.764 39.645 38.000 -0.198 0.000 1.288 251 I HN 0.503 nan 8.210 nan 0.000 0.448 252 I N 7.397 128.042 120.570 0.124 0.000 2.474 252 I HA 0.507 4.677 4.170 -0.001 0.000 0.294 252 I C -1.469 174.688 176.117 0.066 0.000 1.005 252 I CA -0.729 60.678 61.300 0.178 0.000 1.113 252 I CB 2.049 40.241 38.000 0.320 0.000 1.289 252 I HN 0.523 nan 8.210 nan 0.000 0.436 253 L N 8.514 129.776 121.223 0.065 0.000 2.406 253 L HA 0.583 4.922 4.340 -0.001 0.000 0.270 253 L C -1.112 175.803 176.870 0.076 0.000 0.982 253 L CA 0.057 54.932 54.840 0.059 0.000 0.843 253 L CB 0.884 42.977 42.059 0.057 0.000 1.225 253 L HN 0.801 nan 8.230 nan 0.000 0.412 254 E N 2.635 122.857 120.200 0.038 0.000 2.442 254 E HA 0.341 4.691 4.350 -0.001 0.000 0.278 254 E C -1.684 174.761 176.600 -0.258 0.000 1.082 254 E CA -1.094 55.267 56.400 -0.065 0.000 0.861 254 E CB 1.122 30.757 29.700 -0.108 0.000 1.462 254 E HN 0.408 nan 8.360 nan 0.000 0.458 255 Q N 0.405 119.938 119.800 -0.445 0.000 2.306 255 Q HA 0.521 4.860 4.340 -0.001 0.000 0.241 255 Q C -0.659 175.149 176.000 -0.320 0.000 0.948 255 Q CA 0.049 55.487 55.803 -0.609 0.000 0.886 255 Q CB 1.079 29.451 28.738 -0.610 0.000 1.227 255 Q HN 0.364 nan 8.270 nan 0.000 0.457 256 L N 2.008 123.073 121.223 -0.264 0.000 2.303 256 L HA 0.609 4.949 4.340 -0.001 0.000 0.266 256 L C -0.283 176.537 176.870 -0.082 0.000 1.011 256 L CA -1.018 53.726 54.840 -0.160 0.000 0.818 256 L CB 1.467 43.413 42.059 -0.188 0.000 1.326 256 L HN 0.672 nan 8.230 nan 0.000 0.435 257 I N -2.173 118.360 120.570 -0.062 0.000 2.862 257 I HA 0.342 4.511 4.170 -0.001 0.000 0.285 257 I C -2.381 173.712 176.117 -0.041 0.000 1.339 257 I CA -1.704 59.599 61.300 0.004 0.000 1.002 257 I CB 0.949 38.979 38.000 0.050 0.000 1.618 257 I HN 0.266 nan 8.210 nan 0.000 0.593 258 P HA -0.112 nan 4.420 nan 0.000 0.219 258 P C 0.796 178.077 177.300 -0.032 0.000 1.146 258 P CA 1.351 64.384 63.100 -0.111 0.000 0.808 258 P CB 0.135 31.716 31.700 -0.197 0.000 0.779 259 K N -0.763 119.663 120.400 0.043 0.000 2.537 259 K HA 0.428 4.748 4.320 -0.001 0.000 0.206 259 K C 0.780 177.518 176.600 0.230 0.000 1.041 259 K CA 0.128 56.496 56.287 0.136 0.000 1.090 259 K CB 0.390 33.026 32.500 0.226 0.000 0.833 259 K HN 0.154 nan 8.250 nan 0.000 0.493 260 G N 2.016 110.910 108.800 0.158 0.000 2.712 260 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.683 260 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.683 260 G C -2.511 172.471 174.900 0.137 0.000 1.320 260 G CA -0.867 44.333 45.100 0.167 0.000 0.847 260 G HN -0.080 nan 8.290 nan 0.000 0.553 261 P HA 0.208 nan 4.420 nan 0.000 0.242 261 P C 1.003 178.035 177.300 -0.447 0.000 1.197 261 P CA 0.874 63.814 63.100 -0.267 0.000 0.765 261 P CB -0.055 31.357 31.700 -0.481 0.000 0.936 262 F N -1.288 118.719 119.950 0.094 0.000 2.678 262 F HA 0.187 4.714 4.527 -0.001 0.000 0.305 262 F C 1.294 176.853 175.800 -0.402 0.000 1.090 262 F CA -0.477 57.473 58.000 -0.083 0.000 1.272 262 F CB 0.027 39.010 39.000 -0.030 0.000 1.060 262 F HN -0.179 nan 8.300 nan 0.000 0.576 263 E N 2.666 122.878 120.200 0.019 0.000 2.467 263 E HA -0.062 4.288 4.350 -0.001 0.000 0.264 263 E C -1.721 174.778 176.600 -0.167 0.000 1.020 263 E CA -1.121 55.214 56.400 -0.110 0.000 0.945 263 E CB 0.960 30.877 29.700 0.361 0.000 0.942 263 E HN 0.023 nan 8.360 nan 0.000 0.449 264 P HA -0.204 nan 4.420 nan 0.000 0.212 264 P C 1.282 178.622 177.300 0.066 0.000 1.174 264 P CA 1.562 64.618 63.100 -0.072 0.000 0.934 264 P CB -0.241 31.477 31.700 0.029 0.000 0.791 265 F N 0.081 120.038 119.950 0.012 0.000 2.102 265 F HA -0.190 4.337 4.527 -0.001 0.000 0.298 265 F C 2.294 178.017 175.800 -0.128 0.000 1.105 265 F CA 1.663 59.631 58.000 -0.054 0.000 1.239 265 F CB -0.565 38.358 39.000 -0.127 0.000 0.991 265 F HN -0.154 nan 8.300 nan 0.000 0.474 266 S N 0.304 116.138 115.700 0.222 0.000 2.374 266 S HA -0.281 4.189 4.470 -0.001 0.000 0.227 266 S C 2.014 176.612 174.600 -0.004 0.000 1.037 266 S CA 1.628 59.931 58.200 0.172 0.000 1.024 266 S CB -0.471 62.905 63.200 0.292 0.000 0.861 266 S HN 0.366 nan 8.310 nan 0.000 0.456 267 K N 0.709 121.084 120.400 -0.042 0.000 2.032 267 K HA -0.206 4.114 4.320 -0.001 0.000 0.209 267 K C 2.431 178.985 176.600 -0.077 0.000 1.048 267 K CA 1.601 57.831 56.287 -0.095 0.000 0.927 267 K CB -0.175 32.278 32.500 -0.077 0.000 0.712 267 K HN 0.172 nan 8.250 nan 0.000 0.441 268 Q N 0.853 120.599 119.800 -0.089 0.000 2.079 268 Q HA -0.144 4.196 4.340 -0.001 0.000 0.200 268 Q C 1.995 177.951 176.000 -0.073 0.000 0.974 268 Q CA 1.840 57.593 55.803 -0.083 0.000 0.840 268 Q CB -0.176 28.484 28.738 -0.129 0.000 0.898 268 Q HN 0.379 nan 8.270 nan 0.000 0.430 269 M N -0.710 118.794 119.600 -0.160 0.000 2.065 269 M HA -0.182 4.298 4.480 -0.001 0.000 0.259 269 M C 1.707 178.012 176.300 0.008 0.000 1.069 269 M CA 1.617 56.809 55.300 -0.181 0.000 1.110 269 M CB -0.127 32.372 32.600 -0.167 0.000 1.328 269 M HN 0.362 nan 8.290 nan 0.000 0.405 270 L N 0.140 121.358 121.223 -0.008 0.000 2.083 270 L HA -0.172 4.167 4.340 -0.001 0.000 0.209 270 L C 2.766 179.666 176.870 0.050 0.000 1.083 270 L CA 1.252 56.101 54.840 0.014 0.000 0.752 270 L CB -1.028 40.993 42.059 -0.063 0.000 0.899 270 L HN 0.439 nan 8.230 nan 0.000 0.433 271 A N -0.602 122.231 122.820 0.021 0.000 1.930 271 A HA -0.273 4.047 4.320 -0.001 0.000 0.217 271 A C 2.114 179.722 177.584 0.040 0.000 1.175 271 A CA 1.766 53.817 52.037 0.022 0.000 0.627 271 A CB -0.801 18.204 19.000 0.009 0.000 0.815 271 A HN 0.545 nan 8.150 nan 0.000 0.443 272 H N -1.459 117.580 119.070 -0.051 0.000 2.319 272 H HA -0.141 4.415 4.556 -0.001 0.000 0.299 272 H C 1.604 176.834 175.328 -0.163 0.000 1.092 272 H CA 2.301 58.278 56.048 -0.119 0.000 1.302 272 H CB -0.366 29.288 29.762 -0.180 0.000 1.373 272 H HN 0.440 nan 8.280 nan 0.000 0.497 273 F N 0.676 120.575 119.950 -0.084 0.000 2.186 273 F HA -0.039 4.488 4.527 -0.001 0.000 0.299 273 F C 2.695 178.451 175.800 -0.073 0.000 1.090 273 F CA 1.369 59.321 58.000 -0.080 0.000 1.307 273 F CB -0.169 38.834 39.000 0.004 0.000 1.019 273 F HN 0.152 nan 8.300 nan 0.000 0.489 274 K N 0.528 120.990 120.400 0.104 0.000 2.057 274 K HA -0.148 4.172 4.320 -0.001 0.000 0.207 274 K C 2.204 178.804 176.600 0.000 0.000 1.049 274 K CA 1.186 57.505 56.287 0.052 0.000 0.931 274 K CB -0.045 32.476 32.500 0.036 0.000 0.714 274 K HN 0.134 nan 8.250 nan 0.000 0.440 275 R N 0.239 120.707 120.500 -0.053 0.000 2.152 275 R HA -0.067 4.273 4.340 -0.001 0.000 0.232 275 R C 1.078 177.319 176.300 -0.098 0.000 1.117 275 R CA 1.327 57.384 56.100 -0.072 0.000 0.981 275 R CB -0.248 29.999 30.300 -0.087 0.000 0.870 275 R HN 0.254 nan 8.270 nan 0.000 0.451 276 N N 0.679 119.277 118.700 -0.170 0.000 2.370 276 N HA -0.020 4.719 4.740 -0.001 0.000 0.198 276 N C -0.738 174.730 175.510 -0.069 0.000 1.156 276 N CA 0.220 53.177 53.050 -0.155 0.000 0.839 276 N CB 0.309 38.628 38.487 -0.280 0.000 0.989 276 N HN 0.011 nan 8.380 nan 0.000 0.468 277 D N -0.441 119.953 120.400 -0.010 0.000 2.837 277 D HA -0.145 4.495 4.640 -0.001 0.000 0.230 277 D C -0.734 175.562 176.300 -0.006 0.000 1.152 277 D CA 1.195 55.214 54.000 0.031 0.000 0.736 277 D CB -1.684 39.167 40.800 0.085 0.000 1.084 277 D HN 0.447 nan 8.370 nan 0.000 0.429 278 S N -1.475 114.252 115.700 0.045 0.000 2.235 278 S HA 0.447 4.916 4.470 -0.001 0.000 0.152 278 S C -2.578 172.207 174.600 0.308 0.000 1.649 278 S CA -1.130 57.123 58.200 0.088 0.000 1.277 278 S CB 2.291 65.461 63.200 -0.049 0.000 1.299 278 S HN -0.114 nan 8.310 nan 0.000 0.388 279 P HA 0.201 nan 4.420 nan 0.000 0.271 279 P C -0.376 177.002 177.300 0.129 0.000 1.218 279 P CA -0.400 62.803 63.100 0.173 0.000 0.780 279 P CB 0.688 32.444 31.700 0.092 0.000 0.901 280 L N 3.261 124.464 121.223 -0.032 0.000 2.407 280 L HA 0.115 4.455 4.340 -0.001 0.000 0.282 280 L C 1.764 178.565 176.870 -0.115 0.000 1.110 280 L CA 0.130 54.846 54.840 -0.207 0.000 0.863 280 L CB -0.246 41.575 42.059 -0.396 0.000 1.207 280 L HN 0.375 nan 8.230 nan 0.000 0.454 281 Q N 0.912 120.665 119.800 -0.079 0.000 2.304 281 Q HA -0.007 4.332 4.340 -0.001 0.000 0.204 281 Q C 1.885 177.850 176.000 -0.059 0.000 0.936 281 Q CA 0.557 56.332 55.803 -0.046 0.000 0.878 281 Q CB 0.306 29.042 28.738 -0.003 0.000 0.983 281 Q HN 0.690 nan 8.270 nan 0.000 0.516 282 S N 1.001 116.668 115.700 -0.055 0.000 2.423 282 S HA -0.089 4.381 4.470 -0.001 0.000 0.231 282 S C 1.961 176.568 174.600 0.013 0.000 1.014 282 S CA 0.673 58.877 58.200 0.007 0.000 0.965 282 S CB -0.068 63.155 63.200 0.039 0.000 0.785 282 S HN 0.195 nan 8.310 nan 0.000 0.495 283 V N 2.114 121.992 119.914 -0.060 0.000 2.759 283 V HA -0.037 4.083 4.120 -0.001 0.000 0.256 283 V C 1.632 177.678 176.094 -0.080 0.000 1.080 283 V CA 1.233 63.495 62.300 -0.063 0.000 1.101 283 V CB -0.488 31.256 31.823 -0.131 0.000 0.698 283 V HN 0.479 nan 8.190 nan 0.000 0.477 284 L N -0.253 120.909 121.223 -0.101 0.000 2.201 284 L HA -0.136 4.204 4.340 -0.001 0.000 0.212 284 L C 2.473 179.246 176.870 -0.162 0.000 1.105 284 L CA 1.973 56.746 54.840 -0.111 0.000 0.775 284 L CB -0.502 41.499 42.059 -0.096 0.000 0.913 284 L HN 0.324 nan 8.230 nan 0.000 0.440 285 K N -0.194 120.051 120.400 -0.259 0.000 2.202 285 K HA -0.034 4.285 4.320 -0.001 0.000 0.201 285 K C 0.055 176.291 176.600 -0.607 0.000 1.051 285 K CA 0.395 56.380 56.287 -0.502 0.000 0.977 285 K CB 0.279 32.322 32.500 -0.761 0.000 0.792 285 K HN 0.129 nan 8.250 nan 0.000 0.469 286 Y N 1.677 121.932 120.300 -0.075 0.000 2.958 286 Y HA 0.215 4.765 4.550 -0.001 0.000 0.336 286 Y C 0.301 176.156 175.900 -0.077 0.000 1.160 286 Y CA -1.051 57.005 58.100 -0.072 0.000 1.292 286 Y CB 0.696 39.109 38.460 -0.079 0.000 1.306 286 Y HN 0.077 nan 8.280 nan 0.000 0.547 287 N N 0.449 119.157 118.700 0.012 0.000 2.244 287 N HA -0.075 4.665 4.740 -0.001 0.000 0.183 287 N C 0.740 176.235 175.510 -0.025 0.000 1.016 287 N CA 1.158 54.198 53.050 -0.016 0.000 0.866 287 N CB 0.111 38.584 38.487 -0.022 0.000 0.980 287 N HN 0.556 nan 8.380 nan 0.000 0.430 288 T N -3.340 111.211 114.554 -0.005 0.000 2.907 288 T HA 0.494 4.844 4.350 -0.001 0.000 0.290 288 T C 1.383 176.065 174.700 -0.029 0.000 1.066 288 T CA -0.774 61.304 62.100 -0.036 0.000 1.012 288 T CB 1.148 69.997 68.868 -0.031 0.000 1.184 288 T HN -0.147 nan 8.240 nan 0.000 0.522 289 I N 0.377 120.911 120.570 -0.060 0.000 2.151 289 I HA -0.159 4.011 4.170 -0.001 0.000 0.243 289 I C 2.756 178.855 176.117 -0.030 0.000 1.080 289 I CA 1.873 63.137 61.300 -0.061 0.000 1.339 289 I CB -0.282 37.667 38.000 -0.085 0.000 1.039 289 I HN 0.807 nan 8.210 nan 0.000 0.409 290 E N 0.990 121.177 120.200 -0.022 0.000 2.110 290 E HA -0.209 4.141 4.350 -0.001 0.000 0.193 290 E C 2.215 178.831 176.600 0.025 0.000 0.988 290 E CA 1.715 58.113 56.400 -0.003 0.000 0.804 290 E CB -0.193 29.502 29.700 -0.008 0.000 0.745 290 E HN 0.511 nan 8.360 nan 0.000 0.458 291 S N -0.383 115.345 115.700 0.046 0.000 2.399 291 S HA -0.175 4.295 4.470 -0.001 0.000 0.231 291 S C 1.858 176.528 174.600 0.116 0.000 1.022 291 S CA 0.860 59.130 58.200 0.117 0.000 0.983 291 S CB -0.284 63.016 63.200 0.166 0.000 0.803 291 S HN 0.231 nan 8.310 nan 0.000 0.480 292 Q N 0.772 120.602 119.800 0.050 0.000 2.123 292 Q HA 0.036 4.375 4.340 -0.001 0.000 0.199 292 Q C 2.546 178.605 176.000 0.098 0.000 0.966 292 Q CA 1.292 57.108 55.803 0.020 0.000 0.845 292 Q CB -0.652 28.098 28.738 0.020 0.000 0.907 292 Q HN 0.568 nan 8.270 nan 0.000 0.439 293 V N 1.686 121.633 119.914 0.053 0.000 2.295 293 V HA -0.261 3.859 4.120 -0.001 0.000 0.246 293 V C 2.402 178.540 176.094 0.074 0.000 1.049 293 V CA 1.657 63.992 62.300 0.058 0.000 1.024 293 V CB -0.549 31.286 31.823 0.021 0.000 0.648 293 V HN 0.315 nan 8.190 nan 0.000 0.447 294 Q N -0.140 119.691 119.800 0.052 0.000 2.124 294 Q HA -0.195 4.144 4.340 -0.001 0.000 0.202 294 Q C 2.335 178.349 176.000 0.024 0.000 0.977 294 Q CA 1.582 57.410 55.803 0.043 0.000 0.850 294 Q CB -0.545 28.223 28.738 0.050 0.000 0.901 294 Q HN 0.626 nan 8.270 nan 0.000 0.429 295 R N -0.100 120.388 120.500 -0.020 0.000 2.080 295 R HA -0.147 4.193 4.340 -0.001 0.000 0.236 295 R C 2.130 178.278 176.300 -0.253 0.000 1.137 295 R CA 1.411 57.387 56.100 -0.208 0.000 0.943 295 R CB -0.312 29.602 30.300 -0.644 0.000 0.846 295 R HN 0.157 nan 8.270 nan 0.000 0.431 296 F N 1.104 120.958 119.950 -0.160 0.000 2.186 296 F HA -0.092 4.434 4.527 -0.001 0.000 0.299 296 F C 2.132 177.947 175.800 0.024 0.000 1.090 296 F CA 1.798 59.746 58.000 -0.088 0.000 1.307 296 F CB -0.381 38.549 39.000 -0.117 0.000 1.019 296 F HN 0.235 nan 8.300 nan 0.000 0.489 297 N N 0.010 118.795 118.700 0.142 0.000 2.084 297 N HA -0.239 4.501 4.740 -0.001 0.000 0.190 297 N C 1.926 177.449 175.510 0.021 0.000 1.030 297 N CA 1.188 54.279 53.050 0.068 0.000 0.849 297 N CB -0.219 38.285 38.487 0.028 0.000 1.012 297 N HN 0.200 nan 8.380 nan 0.000 0.423 298 K N 1.406 121.804 120.400 -0.004 0.000 2.103 298 K HA -0.090 4.229 4.320 -0.001 0.000 0.207 298 K C 1.330 177.907 176.600 -0.038 0.000 1.048 298 K CA 0.997 57.270 56.287 -0.024 0.000 0.930 298 K CB -0.002 32.483 32.500 -0.026 0.000 0.716 298 K HN 0.189 nan 8.250 nan 0.000 0.444 299 L N -0.168 121.023 121.223 -0.054 0.000 2.629 299 L HA 0.189 4.529 4.340 -0.001 0.000 0.230 299 L C 0.848 177.720 176.870 0.004 0.000 1.151 299 L CA 0.366 55.171 54.840 -0.059 0.000 0.924 299 L CB 0.439 42.393 42.059 -0.175 0.000 1.137 299 L HN 0.583 nan 8.230 nan 0.000 0.457 300 G N -0.469 108.329 108.800 -0.002 0.000 2.148 300 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.203 300 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.203 300 G C -0.126 174.642 174.900 -0.220 0.000 0.993 300 G CA -0.664 44.368 45.100 -0.113 0.000 0.661 300 G HN 0.174 nan 8.290 nan 0.000 0.518 301 F N 0.919 120.899 119.950 0.050 0.000 2.325 301 F HA 0.657 5.184 4.527 -0.001 0.000 0.369 301 F C 1.223 177.018 175.800 -0.007 0.000 1.095 301 F CA -0.030 58.032 58.000 0.104 0.000 1.082 301 F CB 1.701 40.858 39.000 0.262 0.000 1.289 301 F HN 0.111 nan 8.300 nan 0.000 0.462 302 A N 3.119 125.881 122.820 -0.097 0.000 2.123 302 A HA 0.062 4.382 4.320 -0.001 0.000 0.214 302 A C -0.133 177.148 177.584 -0.505 0.000 1.152 302 A CA 0.715 52.495 52.037 -0.428 0.000 0.728 302 A CB -0.400 18.128 19.000 -0.787 0.000 0.814 302 A HN 0.620 nan 8.150 nan 0.000 0.464 303 Y N -0.602 119.812 120.300 0.189 0.000 2.334 303 Y HA 0.559 5.108 4.550 -0.001 0.000 0.336 303 Y C -0.479 175.598 175.900 0.294 0.000 0.960 303 Y CA -0.895 57.342 58.100 0.228 0.000 1.164 303 Y CB 1.623 40.180 38.460 0.163 0.000 1.155 303 Y HN -0.136 nan 8.280 nan 0.000 0.478 304 V N 3.103 123.184 119.914 0.279 0.000 2.638 304 V HA 0.381 4.501 4.120 -0.001 0.000 0.306 304 V C -1.053 174.854 176.094 -0.312 0.000 1.052 304 V CA -0.961 61.336 62.300 -0.005 0.000 0.885 304 V CB 2.088 33.895 31.823 -0.027 0.000 0.999 304 V HN 0.717 nan 8.190 nan 0.000 0.424 305 N N 2.996 121.293 118.700 -0.671 0.000 2.442 305 N HA 0.680 5.419 4.740 -0.001 0.000 0.274 305 N C -1.496 173.920 175.510 -0.156 0.000 1.002 305 N CA -0.281 52.367 53.050 -0.671 0.000 0.910 305 N CB 1.903 39.511 38.487 -1.464 0.000 1.244 305 N HN 0.558 nan 8.380 nan 0.000 0.492 306 V N 2.198 122.121 119.914 0.014 0.000 2.888 306 V HA 0.998 5.117 4.120 -0.001 0.000 0.309 306 V C -0.381 175.629 176.094 -0.140 0.000 1.114 306 V CA -0.080 62.205 62.300 -0.025 0.000 0.940 306 V CB 1.426 33.186 31.823 -0.105 0.000 1.021 306 V HN 0.758 nan 8.190 nan 0.000 0.426 307 G N 3.871 112.356 108.800 -0.524 0.000 2.649 307 G HA2 0.604 4.563 3.960 -0.001 0.000 0.290 307 G HA3 0.604 4.563 3.960 -0.001 0.000 0.290 307 G C -1.668 172.909 174.900 -0.538 0.000 1.426 307 G CA -0.095 44.589 45.100 -0.693 0.000 0.794 307 G HN 0.990 nan 8.290 nan 0.000 0.483 308 D N -1.123 119.067 120.400 -0.350 0.000 2.478 308 D HA 0.345 4.984 4.640 -0.001 0.000 0.263 308 D C 1.580 177.753 176.300 -0.211 0.000 1.153 308 D CA -0.822 53.041 54.000 -0.229 0.000 1.038 308 D CB 0.633 41.365 40.800 -0.113 0.000 1.120 308 D HN 0.162 nan 8.370 nan 0.000 0.564 309 M N -0.588 118.903 119.600 -0.181 0.000 2.374 309 M HA 0.004 4.484 4.480 -0.001 0.000 0.264 309 M C 1.551 177.831 176.300 -0.034 0.000 1.067 309 M CA 0.762 55.982 55.300 -0.133 0.000 1.103 309 M CB -0.908 31.526 32.600 -0.276 0.000 1.402 309 M HN 0.455 nan 8.290 nan 0.000 0.444 310 F N 1.549 121.385 119.950 -0.190 0.000 2.259 310 F HA -0.154 4.373 4.527 -0.001 0.000 0.298 310 F C 2.330 178.221 175.800 0.150 0.000 1.088 310 F CA 1.396 59.362 58.000 -0.055 0.000 1.358 310 F CB -0.106 38.778 39.000 -0.194 0.000 1.040 310 F HN 0.232 nan 8.300 nan 0.000 0.505 311 Q N -0.150 119.734 119.800 0.139 0.000 2.124 311 Q HA -0.215 4.125 4.340 -0.001 0.000 0.202 311 Q C 2.375 178.526 176.000 0.252 0.000 0.977 311 Q CA 1.433 57.329 55.803 0.154 0.000 0.850 311 Q CB -0.354 28.410 28.738 0.043 0.000 0.901 311 Q HN 0.451 nan 8.270 nan 0.000 0.429 312 L N 0.172 121.534 121.223 0.232 0.000 2.017 312 L HA -0.178 4.162 4.340 -0.001 0.000 0.208 312 L C 2.215 179.325 176.870 0.399 0.000 1.073 312 L CA 1.420 56.509 54.840 0.416 0.000 0.745 312 L CB -0.484 41.794 42.059 0.365 0.000 0.894 312 L HN 0.604 nan 8.230 nan 0.000 0.432 313 W N 1.364 122.690 121.300 0.043 0.000 2.338 313 W HA -0.255 4.404 4.660 -0.001 0.000 0.304 313 W C 1.992 178.434 176.519 -0.129 0.000 1.212 313 W CA 1.705 59.011 57.345 -0.065 0.000 1.264 313 W CB -0.115 29.157 29.460 -0.312 0.000 1.142 313 W HN 0.272 nan 8.180 nan 0.000 0.512 314 E N 0.005 120.150 120.200 -0.091 0.000 2.204 314 E HA -0.193 4.157 4.350 -0.001 0.000 0.194 314 E C 2.281 178.855 176.600 -0.043 0.000 0.989 314 E CA 1.753 58.099 56.400 -0.090 0.000 0.824 314 E CB -0.201 29.532 29.700 0.055 0.000 0.756 314 E HN 0.201 nan 8.360 nan 0.000 0.477 315 S N 0.349 116.087 115.700 0.063 0.000 2.527 315 S HA 0.182 4.652 4.470 -0.001 0.000 0.222 315 S C 1.019 175.660 174.600 0.069 0.000 0.985 315 S CA -0.019 58.235 58.200 0.091 0.000 0.921 315 S CB 0.159 63.471 63.200 0.187 0.000 0.772 315 S HN 0.185 nan 8.310 nan 0.000 0.529 316 A N 2.863 125.683 122.820 -0.001 0.000 2.511 316 A HA 0.387 4.707 4.320 -0.001 0.000 0.242 316 A C 0.304 177.793 177.584 -0.158 0.000 1.069 316 A CA -0.112 51.855 52.037 -0.116 0.000 0.763 316 A CB -0.274 18.484 19.000 -0.404 0.000 1.001 316 A HN 0.695 nan 8.150 nan 0.000 0.498 317 D N 1.439 121.776 120.400 -0.104 0.000 2.360 317 D HA 0.094 4.734 4.640 -0.001 0.000 0.242 317 D C 0.762 176.962 176.300 -0.166 0.000 1.184 317 D CA -0.075 53.860 54.000 -0.109 0.000 0.930 317 D CB 0.409 41.171 40.800 -0.063 0.000 1.161 317 D HN 0.607 nan 8.370 nan 0.000 0.447 318 E N 0.154 120.271 120.200 -0.139 0.000 2.085 318 E HA -0.245 4.105 4.350 -0.001 0.000 0.194 318 E C 2.036 178.543 176.600 -0.155 0.000 0.994 318 E CA 1.429 57.739 56.400 -0.149 0.000 0.801 318 E CB -0.244 29.392 29.700 -0.107 0.000 0.743 318 E HN 0.639 nan 8.360 nan 0.000 0.453 319 A N 0.761 123.506 122.820 -0.125 0.000 1.908 319 A HA -0.190 4.130 4.320 -0.001 0.000 0.218 319 A C 2.369 179.857 177.584 -0.161 0.000 1.181 319 A CA 1.962 53.928 52.037 -0.119 0.000 0.627 319 A CB -0.807 18.142 19.000 -0.086 0.000 0.818 319 A HN 0.187 nan 8.150 nan 0.000 0.445 320 T N -0.395 114.046 114.554 -0.188 0.000 2.777 320 T HA -0.118 4.232 4.350 -0.001 0.000 0.266 320 T C 2.055 176.531 174.700 -0.373 0.000 1.040 320 T CA 1.767 63.711 62.100 -0.259 0.000 1.141 320 T CB -0.175 68.544 68.868 -0.247 0.000 0.868 320 T HN 0.516 nan 8.240 nan 0.000 0.444 321 K N 1.753 121.916 120.400 -0.395 0.000 2.032 321 K HA -0.063 4.257 4.320 -0.001 0.000 0.209 321 K C 2.173 178.588 176.600 -0.308 0.000 1.048 321 K CA 1.643 57.646 56.287 -0.473 0.000 0.927 321 K CB -0.317 31.914 32.500 -0.449 0.000 0.712 321 K HN 0.212 nan 8.250 nan 0.000 0.441 322 K N 0.446 120.713 120.400 -0.223 0.000 2.044 322 K HA -0.185 4.134 4.320 -0.001 0.000 0.210 322 K C 1.924 178.423 176.600 -0.169 0.000 1.049 322 K CA 2.070 58.262 56.287 -0.158 0.000 0.927 322 K CB -0.082 32.345 32.500 -0.123 0.000 0.713 322 K HN 0.305 nan 8.250 nan 0.000 0.443 323 E N 0.346 120.425 120.200 -0.202 0.000 2.072 323 E HA -0.183 4.167 4.350 -0.001 0.000 0.191 323 E C 2.139 178.574 176.600 -0.275 0.000 0.985 323 E CA 1.099 57.370 56.400 -0.214 0.000 0.801 323 E CB -0.076 29.496 29.700 -0.213 0.000 0.750 323 E HN 0.290 nan 8.360 nan 0.000 0.452 324 L N 0.899 121.913 121.223 -0.348 0.000 2.046 324 L HA -0.205 4.135 4.340 -0.001 0.000 0.208 324 L C 2.452 179.169 176.870 -0.254 0.000 1.077 324 L CA 0.887 55.498 54.840 -0.383 0.000 0.747 324 L CB -0.354 41.431 42.059 -0.457 0.000 0.896 324 L HN 0.193 nan 8.230 nan 0.000 0.432 325 L N -0.425 120.696 121.223 -0.171 0.000 2.191 325 L HA -0.215 4.124 4.340 -0.001 0.000 0.212 325 L C 2.199 179.003 176.870 -0.111 0.000 1.103 325 L CA 1.349 56.129 54.840 -0.101 0.000 0.769 325 L CB -0.473 41.561 42.059 -0.043 0.000 0.908 325 L HN 0.294 nan 8.230 nan 0.000 0.438 326 K N -0.761 119.549 120.400 -0.149 0.000 2.426 326 K HA 0.029 4.348 4.320 -0.001 0.000 0.193 326 K C 1.952 178.435 176.600 -0.196 0.000 1.028 326 K CA 0.046 56.252 56.287 -0.136 0.000 1.047 326 K CB 0.416 32.844 32.500 -0.120 0.000 0.821 326 K HN 0.064 nan 8.250 nan 0.000 0.513 327 V N 2.068 121.798 119.914 -0.307 0.000 2.295 327 V HA -0.230 3.890 4.120 -0.001 0.000 0.246 327 V C 0.921 176.804 176.094 -0.352 0.000 1.049 327 V CA 1.651 63.686 62.300 -0.441 0.000 1.024 327 V CB -0.429 30.851 31.823 -0.905 0.000 0.648 327 V HN 0.505 nan 8.190 nan 0.000 0.447 328 E N -1.256 118.778 120.200 -0.275 0.000 2.423 328 E HA 0.431 4.780 4.350 -0.001 0.000 0.280 328 E C -3.195 173.357 176.600 -0.080 0.000 1.030 328 E CA -2.097 54.200 56.400 -0.171 0.000 0.812 328 E CB 1.326 30.945 29.700 -0.136 0.000 1.313 328 E HN -0.012 nan 8.360 nan 0.000 0.456 329 P HA 0.214 nan 4.420 nan 0.000 0.271 329 P C -1.484 175.877 177.300 0.101 0.000 1.216 329 P CA 0.077 63.174 63.100 -0.004 0.000 0.771 329 P CB 0.105 31.747 31.700 -0.096 0.000 0.864 330 F N 2.137 122.067 119.950 -0.035 0.000 2.615 330 F HA 0.414 4.941 4.527 -0.001 0.000 0.312 330 F C -0.998 174.797 175.800 -0.007 0.000 1.119 330 F CA -0.553 57.417 58.000 -0.050 0.000 0.979 330 F CB 2.205 41.150 39.000 -0.091 0.000 1.266 330 F HN 0.206 nan 8.300 nan 0.000 0.444 331 D N 3.528 123.487 120.400 -0.736 0.000 3.279 331 D HA 0.192 4.832 4.640 -0.001 0.000 0.336 331 D C -1.110 174.810 176.300 -0.634 0.000 1.512 331 D CA 0.108 53.827 54.000 -0.467 0.000 0.754 331 D CB 0.293 40.995 40.800 -0.163 0.000 1.278 331 D HN 0.519 nan 8.370 nan 0.000 0.553 332 E N 0.350 119.839 120.200 -1.186 0.000 3.582 332 E HA 0.203 4.552 4.350 -0.001 0.000 0.217 332 E C 1.008 177.484 176.600 -0.206 0.000 1.092 332 E CA -0.257 55.796 56.400 -0.578 0.000 1.365 332 E CB 0.846 30.251 29.700 -0.491 0.000 1.278 332 E HN 0.180 nan 8.360 nan 0.000 0.439 333 L N 0.508 121.707 121.223 -0.040 0.000 2.083 333 L HA -0.116 4.224 4.340 -0.001 0.000 0.209 333 L C 1.410 178.227 176.870 -0.089 0.000 1.083 333 L CA 1.944 56.794 54.840 0.016 0.000 0.752 333 L CB 0.101 41.957 42.059 -0.339 0.000 0.899 333 L HN 0.172 nan 8.230 nan 0.000 0.433 334 E N -0.295 120.013 120.200 0.180 0.000 2.058 334 E HA -0.281 4.069 4.350 -0.001 0.000 0.194 334 E C 2.121 178.880 176.600 0.265 0.000 0.997 334 E CA 1.629 58.209 56.400 0.300 0.000 0.801 334 E CB -0.281 29.679 29.700 0.432 0.000 0.746 334 E HN 0.612 nan 8.360 nan 0.000 0.450 335 E N -0.336 120.023 120.200 0.266 0.000 2.085 335 E HA -0.225 4.124 4.350 -0.001 0.000 0.194 335 E C 1.812 178.619 176.600 0.345 0.000 0.994 335 E CA 0.962 57.549 56.400 0.311 0.000 0.801 335 E CB -0.159 29.704 29.700 0.273 0.000 0.743 335 E HN 0.269 nan 8.360 nan 0.000 0.453 336 F N 1.296 121.348 119.950 0.170 0.000 2.146 336 F HA -0.182 4.345 4.527 -0.000 0.000 0.298 336 F C 2.215 178.071 175.800 0.095 0.000 1.096 336 F CA 1.643 59.751 58.000 0.180 0.000 1.275 336 F CB -0.341 38.751 39.000 0.153 0.000 1.008 336 F HN 0.135 nan 8.300 nan 0.000 0.480 337 H N 0.466 119.497 119.070 -0.065 0.000 2.290 337 H HA -0.159 4.396 4.556 -0.001 0.000 0.298 337 H C 2.506 177.596 175.328 -0.396 0.000 1.087 337 H CA 2.098 57.900 56.048 -0.410 0.000 1.291 337 H CB -0.952 28.678 29.762 -0.220 0.000 1.369 337 H HN 0.285 nan 8.280 nan 0.000 0.492 338 L N -0.469 120.754 121.223 0.000 0.000 1.989 338 L HA -0.204 4.136 4.340 -0.001 0.000 0.211 338 L C 2.549 179.104 176.870 -0.525 0.000 1.071 338 L CA 1.492 56.247 54.840 -0.142 0.000 0.749 338 L CB -0.646 41.381 42.059 -0.053 0.000 0.890 338 L HN 0.153 nan 8.230 nan 0.000 0.431 339 F N 0.373 119.941 119.950 -0.637 0.000 2.091 339 F HA -0.301 4.226 4.527 -0.001 0.000 0.299 339 F C 2.503 178.093 175.800 -0.350 0.000 1.103 339 F CA 1.635 59.294 58.000 -0.567 0.000 1.228 339 F CB -0.819 37.947 39.000 -0.391 0.000 0.984 339 F HN 0.047 nan 8.300 nan 0.000 0.477 340 C N 0.496 119.263 119.300 -0.887 0.000 2.425 340 C HA -0.170 4.289 4.460 -0.001 0.000 0.277 340 C C 2.647 177.282 174.990 -0.592 0.000 1.280 340 C CA 1.101 59.553 59.018 -0.945 0.000 1.744 340 C CB -1.605 25.719 27.740 -0.692 0.000 1.989 340 C HN 0.536 nan 8.230 nan 0.000 0.491 341 H N -0.883 117.978 119.070 -0.348 0.000 2.546 341 H HA -0.035 4.521 4.556 -0.001 0.000 0.277 341 H C 1.218 176.303 175.328 -0.404 0.000 1.004 341 H CA 1.096 56.950 56.048 -0.324 0.000 1.231 341 H CB -0.398 29.176 29.762 -0.312 0.000 1.382 341 H HN 0.665 nan 8.280 nan 0.000 0.580 342 H N -1.379 117.530 119.070 -0.268 0.000 2.529 342 H HA 0.150 4.706 4.556 -0.001 0.000 0.277 342 H C -0.546 174.562 175.328 -0.367 0.000 1.004 342 H CA 0.079 55.992 56.048 -0.225 0.000 1.167 342 H CB 0.163 29.860 29.762 -0.108 0.000 1.445 342 H HN 0.130 nan 8.280 nan 0.000 0.554 343 Y N -0.366 119.750 120.300 -0.306 0.000 2.361 343 Y HA 0.373 4.923 4.550 -0.001 0.000 0.337 343 Y C -0.521 175.234 175.900 -0.242 0.000 0.965 343 Y CA -1.098 56.840 58.100 -0.272 0.000 1.091 343 Y CB 1.697 39.926 38.460 -0.385 0.000 1.182 343 Y HN -0.165 nan 8.280 nan 0.000 0.450 344 V N 5.525 125.392 119.914 -0.078 0.000 2.532 344 V HA 0.575 4.694 4.120 -0.001 0.000 0.295 344 V C -1.331 174.718 176.094 -0.075 0.000 1.041 344 V CA -0.777 61.458 62.300 -0.109 0.000 0.926 344 V CB 1.652 33.407 31.823 -0.112 0.000 0.992 344 V HN 0.611 nan 8.190 nan 0.000 0.457 345 L N 7.577 128.724 121.223 -0.128 0.000 2.316 345 L HA 0.623 4.962 4.340 -0.001 0.000 0.280 345 L C -0.709 176.121 176.870 -0.067 0.000 1.006 345 L CA 0.093 54.892 54.840 -0.068 0.000 0.836 345 L CB 0.929 42.967 42.059 -0.035 0.000 1.221 345 L HN 0.809 nan 8.230 nan 0.000 0.418 346 C N 5.366 124.629 119.300 -0.063 0.000 2.319 346 C HA 0.507 4.967 4.460 -0.001 0.000 0.323 346 C C -0.659 174.258 174.990 -0.122 0.000 1.277 346 C CA -0.516 58.420 59.018 -0.137 0.000 1.517 346 C CB -0.038 27.555 27.740 -0.244 0.000 2.206 346 C HN 0.953 nan 8.230 nan 0.000 0.486 347 H N 4.499 123.456 119.070 -0.187 0.000 2.638 347 H HA 0.659 5.214 4.556 -0.001 0.000 0.317 347 H C -0.314 174.955 175.328 -0.097 0.000 1.006 347 H CA -0.201 55.793 56.048 -0.090 0.000 1.222 347 H CB 1.144 30.941 29.762 0.058 0.000 1.419 347 H HN 0.908 nan 8.280 nan 0.000 0.489 348 A N 3.857 126.728 122.820 0.085 0.000 2.356 348 A HA 0.596 4.916 4.320 -0.001 0.000 0.323 348 A C -0.248 177.512 177.584 0.294 0.000 1.119 348 A CA -0.380 51.687 52.037 0.050 0.000 0.790 348 A CB 1.594 20.368 19.000 -0.376 0.000 1.273 348 A HN 0.733 nan 8.150 nan 0.000 0.452 349 T N -1.374 113.425 114.554 0.408 0.000 2.883 349 T HA 0.510 4.860 4.350 -0.001 0.000 0.296 349 T C -0.208 174.828 174.700 0.560 0.000 1.117 349 T CA -0.425 61.854 62.100 0.299 0.000 1.006 349 T CB 1.536 70.159 68.868 -0.408 0.000 1.191 349 T HN 0.782 nan 8.240 nan 0.000 0.508 350 N N -0.094 118.847 118.700 0.402 0.000 2.234 350 N HA 0.171 4.911 4.740 -0.001 0.000 0.227 350 N C -0.517 175.221 175.510 0.379 0.000 1.151 350 N CA -0.659 52.536 53.050 0.242 0.000 0.865 350 N CB -0.442 37.950 38.487 -0.158 0.000 1.066 350 N HN 0.863 nan 8.380 nan 0.000 0.515 351 Y N -1.597 118.785 120.300 0.136 0.000 2.457 351 Y HA 0.462 5.012 4.550 -0.001 0.000 0.343 351 Y C 1.078 176.751 175.900 -0.380 0.000 0.994 351 Y CA -1.312 56.778 58.100 -0.016 0.000 1.031 351 Y CB 1.399 39.834 38.460 -0.042 0.000 1.246 351 Y HN -0.101 nan 8.280 nan 0.000 0.449 352 K N 0.596 120.759 120.400 -0.396 0.000 2.283 352 K HA -0.091 4.229 4.320 -0.001 0.000 0.202 352 K C 0.318 176.646 176.600 -0.454 0.000 1.048 352 K CA 1.841 57.659 56.287 -0.781 0.000 0.948 352 K CB 0.043 32.356 32.500 -0.312 0.000 0.742 352 K HN 0.741 nan 8.250 nan 0.000 0.458 353 E N 0.557 120.662 120.200 -0.159 0.000 2.268 353 E HA -0.049 4.300 4.350 -0.001 0.000 0.195 353 E C -0.210 176.298 176.600 -0.154 0.000 0.995 353 E CA 0.540 56.910 56.400 -0.050 0.000 0.836 353 E CB -0.125 29.677 29.700 0.169 0.000 0.763 353 E HN 0.330 nan 8.360 nan 0.000 0.491 354 F N 0.929 120.536 119.950 -0.573 0.000 2.445 354 F HA 0.373 4.900 4.527 -0.001 0.000 0.359 354 F C -0.002 175.402 175.800 -0.661 0.000 1.101 354 F CA -1.059 56.571 58.000 -0.617 0.000 1.177 354 F CB 0.375 38.809 39.000 -0.942 0.000 1.110 354 F HN -0.164 nan 8.300 nan 0.000 0.522 355 A N 6.768 128.951 122.820 -1.062 0.000 2.301 355 A HA 0.478 4.797 4.320 -0.001 0.000 0.298 355 A C -1.055 175.947 177.584 -0.969 0.000 1.185 355 A CA -0.530 51.025 52.037 -0.803 0.000 0.830 355 A CB -0.070 18.648 19.000 -0.469 0.000 1.112 355 A HN 0.718 nan 8.150 nan 0.000 0.508 356 F N 2.673 122.429 119.950 -0.324 0.000 2.405 356 F HA 0.253 4.779 4.527 -0.001 0.000 0.358 356 F C 1.583 177.316 175.800 -0.112 0.000 1.151 356 F CA 0.024 57.918 58.000 -0.175 0.000 1.161 356 F CB 0.783 39.739 39.000 -0.073 0.000 1.245 356 F HN 0.677 nan 8.300 nan 0.000 0.545 357 T N -0.536 114.066 114.554 0.081 0.000 2.816 357 T HA 0.141 4.491 4.350 -0.001 0.000 0.282 357 T C 1.168 175.906 174.700 0.063 0.000 0.993 357 T CA -0.747 61.387 62.100 0.056 0.000 0.994 357 T CB 1.055 69.953 68.868 0.051 0.000 1.025 357 T HN 0.527 nan 8.240 nan 0.000 0.529 358 Q N 1.155 120.952 119.800 -0.005 0.000 2.082 358 Q HA -0.028 4.311 4.340 -0.001 0.000 0.211 358 Q C 2.497 178.429 176.000 -0.113 0.000 1.002 358 Q CA 2.337 58.113 55.803 -0.046 0.000 0.868 358 Q CB -1.199 27.509 28.738 -0.051 0.000 0.931 358 Q HN 0.965 nan 8.270 nan 0.000 0.414 359 G N -1.924 106.750 108.800 -0.210 0.000 2.559 359 G HA2 -0.107 3.852 3.960 -0.001 0.000 0.216 359 G HA3 -0.107 3.852 3.960 -0.001 0.000 0.216 359 G C 0.680 175.199 174.900 -0.634 0.000 1.126 359 G CA 0.370 45.207 45.100 -0.437 0.000 0.778 359 G HN 0.321 nan 8.290 nan 0.000 0.543 360 F N -1.169 118.711 119.950 -0.118 0.000 2.752 360 F HA 0.424 4.951 4.527 -0.001 0.000 0.310 360 F C 0.721 176.261 175.800 -0.433 0.000 1.097 360 F CA -0.892 56.981 58.000 -0.210 0.000 1.238 360 F CB 0.426 39.401 39.000 -0.041 0.000 1.061 360 F HN -0.085 nan 8.300 nan 0.000 0.591 361 L N 1.365 122.499 121.223 -0.147 0.000 2.455 361 L HA 0.180 4.519 4.340 -0.001 0.000 0.272 361 L C -0.689 175.996 176.870 -0.308 0.000 1.174 361 L CA 0.112 54.838 54.840 -0.191 0.000 0.869 361 L CB -0.146 41.891 42.059 -0.036 0.000 1.130 361 L HN -0.089 nan 8.230 nan 0.000 0.474 362 F N 3.085 123.029 119.950 -0.011 0.000 2.404 362 F HA 0.242 4.769 4.527 -0.001 0.000 0.339 362 F C 0.516 176.308 175.800 -0.014 0.000 1.105 362 F CA -0.812 57.183 58.000 -0.008 0.000 1.087 362 F CB 1.028 40.013 39.000 -0.025 0.000 1.143 362 F HN 0.495 nan 8.300 nan 0.000 0.491 363 D N 3.308 123.835 120.400 0.211 0.000 2.389 363 D HA 0.194 4.834 4.640 -0.001 0.000 0.247 363 D C -0.287 176.067 176.300 0.091 0.000 1.128 363 D CA 0.140 54.209 54.000 0.114 0.000 0.884 363 D CB 0.757 41.614 40.800 0.094 0.000 1.194 363 D HN 0.503 nan 8.370 nan 0.000 0.441 370 N N 7.523 126.228 118.700 0.007 0.000 2.576 370 N HA 0.477 5.216 4.740 -0.001 0.000 0.269 370 N C -0.810 174.703 175.510 0.005 0.000 1.058 370 N CA -0.517 52.534 53.050 0.001 0.000 0.860 370 N CB 2.359 40.842 38.487 -0.006 0.000 1.249 370 N HN 0.429 nan 8.380 nan 0.000 0.525 371 L N 1.227 122.453 121.223 0.005 0.000 2.439 371 L HA 0.189 4.528 4.340 -0.001 0.000 0.269 371 L C 1.006 177.874 176.870 -0.004 0.000 1.179 371 L CA -0.050 54.790 54.840 0.000 0.000 0.828 371 L CB 0.198 42.253 42.059 -0.007 0.000 1.106 371 L HN 0.295 nan 8.230 nan 0.000 0.467 372 T N 1.996 116.549 114.554 -0.002 0.000 2.933 372 T HA 0.056 4.406 4.350 -0.001 0.000 0.306 372 T C 0.229 174.928 174.700 -0.002 0.000 1.045 372 T CA -0.502 61.598 62.100 -0.001 0.000 1.143 372 T CB 0.465 69.335 68.868 0.003 0.000 1.003 372 T HN 0.243 nan 8.240 nan 0.000 0.540 373 V N 4.784 124.696 119.914 -0.003 0.000 2.508 373 V HA 0.053 4.172 4.120 -0.001 0.000 0.281 373 V C 1.037 177.135 176.094 0.007 0.000 1.041 373 V CA -0.507 61.791 62.300 -0.003 0.000 1.016 373 V CB 0.813 32.631 31.823 -0.008 0.000 0.984 373 V HN 0.865 nan 8.190 nan 0.000 0.478 374 D N 3.790 124.200 120.400 0.017 0.000 2.472 374 D HA 0.017 4.656 4.640 -0.001 0.000 0.237 374 D C 0.695 177.011 176.300 0.028 0.000 1.141 374 D CA 0.229 54.252 54.000 0.038 0.000 0.875 374 D CB 1.047 41.890 40.800 0.071 0.000 1.192 374 D HN 0.700 nan 8.370 nan 0.000 0.450 375 E N 1.313 121.526 120.200 0.022 0.000 2.489 375 E HA 0.007 4.357 4.350 -0.001 0.000 0.204 375 E C 0.078 176.648 176.600 -0.050 0.000 1.006 375 E CA -0.067 56.327 56.400 -0.011 0.000 0.936 375 E CB 0.712 30.404 29.700 -0.012 0.000 1.002 375 E HN 0.376 nan 8.360 nan 0.000 0.488 376 D N -0.697 119.674 120.400 -0.049 0.000 2.423 376 D HA 0.068 4.708 4.640 -0.001 0.000 0.212 376 D C -0.355 175.597 176.300 -0.580 0.000 1.060 376 D CA 0.618 54.459 54.000 -0.265 0.000 0.872 376 D CB 0.574 41.260 40.800 -0.190 0.000 1.012 376 D HN 0.071 nan 8.370 nan 0.000 0.503 377 Y N 0.481 120.774 120.300 -0.013 0.000 2.524 377 Y HA 0.366 4.916 4.550 -0.001 0.000 0.347 377 Y C -0.082 175.806 175.900 -0.020 0.000 1.005 377 Y CA -1.159 56.931 58.100 -0.016 0.000 1.025 377 Y CB 1.837 40.286 38.460 -0.018 0.000 1.275 377 Y HN -0.289 nan 8.280 nan 0.000 0.460 378 Q N 1.302 121.173 119.800 0.119 0.000 2.456 378 Q HA 0.729 5.069 4.340 -0.001 0.000 0.283 378 Q C -2.225 173.800 176.000 0.041 0.000 1.084 378 Q CA -1.306 54.530 55.803 0.055 0.000 0.801 378 Q CB 2.807 31.556 28.738 0.019 0.000 1.434 378 Q HN 0.576 nan 8.270 nan 0.000 0.419 379 L N 1.971 123.204 121.223 0.017 0.000 2.287 379 L HA 0.530 4.869 4.340 -0.001 0.000 0.287 379 L C -1.231 175.635 176.870 -0.007 0.000 1.022 379 L CA -0.436 54.403 54.840 -0.002 0.000 0.814 379 L CB 1.289 43.345 42.059 -0.005 0.000 1.217 379 L HN 0.676 nan 8.230 nan 0.000 0.420 380 L N 2.903 124.114 121.223 -0.021 0.000 2.303 380 L HA 0.517 4.857 4.340 -0.001 0.000 0.266 380 L C 0.077 176.919 176.870 -0.047 0.000 1.011 380 L CA -1.031 53.794 54.840 -0.025 0.000 0.818 380 L CB 2.035 44.085 42.059 -0.015 0.000 1.326 380 L HN 0.539 nan 8.230 nan 0.000 0.435 381 E N 0.087 120.247 120.200 -0.066 0.000 2.383 381 E HA 0.157 4.506 4.350 -0.001 0.000 0.264 381 E C -0.814 175.746 176.600 -0.066 0.000 1.050 381 E CA -0.059 56.281 56.400 -0.101 0.000 0.896 381 E CB 1.241 30.830 29.700 -0.184 0.000 0.982 381 E HN 0.374 nan 8.360 nan 0.000 0.424 382 C N 3.768 123.038 119.300 -0.050 0.000 3.277 382 C HA 0.072 4.531 4.460 -0.001 0.000 0.352 382 C C -0.489 174.500 174.990 -0.001 0.000 0.998 382 C CA -0.533 58.479 59.018 -0.009 0.000 1.303 382 C CB -0.453 27.322 27.740 0.059 0.000 1.698 382 C HN 0.735 nan 8.230 nan 0.000 0.574 383 E N 1.807 121.986 120.200 -0.035 0.000 2.652 383 E HA -0.008 4.342 4.350 -0.001 0.000 0.255 383 E C 0.067 176.653 176.600 -0.024 0.000 0.952 383 E CA 0.758 57.139 56.400 -0.033 0.000 0.947 383 E CB 0.564 30.243 29.700 -0.036 0.000 0.912 383 E HN 0.697 nan 8.360 nan 0.000 0.489 384 C N 6.908 126.192 119.300 -0.026 0.000 3.418 384 C HA 0.250 4.710 4.460 -0.001 0.000 0.238 384 C C -2.339 172.617 174.990 -0.056 0.000 1.205 384 C CA -1.609 57.383 59.018 -0.044 0.000 1.376 384 C CB 0.148 27.867 27.740 -0.035 0.000 1.826 384 C HN 0.513 nan 8.230 nan 0.000 0.513 385 P HA 0.088 nan 4.420 nan 0.000 0.238 385 P C 1.135 178.389 177.300 -0.077 0.000 1.714 385 P CA 0.243 63.313 63.100 -0.050 0.000 0.908 385 P CB -0.695 30.986 31.700 -0.032 0.000 1.893 386 I N -3.321 117.176 120.570 -0.122 0.000 2.614 386 I HA -0.139 4.031 4.170 -0.001 0.000 0.258 386 I C -0.084 175.941 176.117 -0.153 0.000 1.189 386 I CA 0.489 61.677 61.300 -0.187 0.000 1.462 386 I CB -1.196 36.587 38.000 -0.362 0.000 1.092 386 I HN -0.077 nan 8.210 nan 0.000 0.442 387 N N 2.937 121.572 118.700 -0.108 0.000 2.705 387 N HA -0.212 4.527 4.740 -0.001 0.000 0.255 387 N C -0.477 175.001 175.510 -0.054 0.000 1.008 387 N CA 1.358 54.371 53.050 -0.061 0.000 0.742 387 N CB -0.959 37.507 38.487 -0.035 0.000 0.906 387 N HN 0.809 nan 8.380 nan 0.000 0.541 388 R N -1.359 119.093 120.500 -0.079 0.000 2.781 388 R HA 0.680 5.020 4.340 -0.001 0.000 0.269 388 R C -0.694 175.618 176.300 0.020 0.000 1.025 388 R CA -1.152 54.938 56.100 -0.018 0.000 0.914 388 R CB 1.963 32.257 30.300 -0.009 0.000 1.236 388 R HN 0.172 nan 8.270 nan 0.000 0.465 389 K N -0.113 120.343 120.400 0.093 0.000 2.477 389 K HA 0.455 4.775 4.320 -0.001 0.000 0.255 389 K C -0.972 175.734 176.600 0.176 0.000 0.952 389 K CA -0.895 55.422 56.287 0.050 0.000 0.826 389 K CB 1.513 34.019 32.500 0.011 0.000 1.331 389 K HN 0.552 nan 8.250 nan 0.000 0.437 390 F N -0.270 119.716 119.950 0.059 0.000 3.057 390 F HA -0.248 4.278 4.527 -0.001 0.000 0.287 390 F C 0.780 176.522 175.800 -0.097 0.000 0.834 390 F CA 0.757 58.731 58.000 -0.043 0.000 1.147 390 F CB -1.494 37.482 39.000 -0.041 0.000 1.245 390 F HN 0.926 nan 8.300 nan 0.000 0.509 391 G N -0.674 108.178 108.800 0.086 0.000 2.510 391 G HA2 0.496 4.456 3.960 -0.001 0.000 0.280 391 G HA3 0.496 4.456 3.960 -0.001 0.000 0.280 391 G C -0.978 173.579 174.900 -0.572 0.000 1.386 391 G CA 0.431 45.416 45.100 -0.193 0.000 1.047 391 G HN 0.167 nan 8.290 nan 0.000 0.527 392 D N -2.946 117.009 120.400 -0.741 0.000 2.583 392 D HA 0.569 5.209 4.640 -0.001 0.000 0.248 392 D C -1.367 174.698 176.300 -0.392 0.000 1.209 392 D CA -0.279 53.437 54.000 -0.474 0.000 0.848 392 D CB 2.298 42.966 40.800 -0.221 0.000 1.431 392 D HN 0.480 nan 8.370 nan 0.000 0.436 393 V N 1.207 121.076 119.914 -0.075 0.000 3.012 393 V HA 0.691 4.811 4.120 -0.001 0.000 0.307 393 V C -1.928 174.260 176.094 0.158 0.000 1.166 393 V CA -0.394 61.976 62.300 0.117 0.000 0.974 393 V CB 2.186 34.111 31.823 0.170 0.000 1.040 393 V HN 0.654 nan 8.190 nan 0.000 0.428 394 D N 1.836 122.352 120.400 0.193 0.000 2.596 394 D HA 0.576 5.216 4.640 -0.001 0.000 0.262 394 D C -1.267 175.115 176.300 0.137 0.000 1.210 394 D CA 0.057 54.124 54.000 0.110 0.000 0.873 394 D CB 2.624 43.440 40.800 0.026 0.000 1.408 394 D HN 0.815 nan 8.370 nan 0.000 0.441 395 V N -0.683 119.289 119.914 0.097 0.000 2.398 395 V HA 0.895 5.015 4.120 -0.001 0.000 0.286 395 V C -0.126 176.032 176.094 0.108 0.000 1.026 395 V CA -0.669 61.686 62.300 0.092 0.000 0.868 395 V CB 0.998 32.854 31.823 0.055 0.000 0.982 395 V HN 0.639 nan 8.190 nan 0.000 0.443 396 A N 3.790 126.712 122.820 0.170 0.000 3.218 396 A HA 0.881 5.201 4.320 -0.001 0.000 0.321 396 A C 0.949 178.614 177.584 0.135 0.000 1.012 396 A CA 0.303 52.437 52.037 0.160 0.000 0.948 396 A CB -0.410 18.726 19.000 0.228 0.000 1.050 396 A HN 2.496 nan 8.150 nan 0.000 0.492 397 G N 1.233 110.082 108.800 0.082 0.000 2.785 397 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.218 397 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.218 397 G C 0.368 175.294 174.900 0.044 0.000 1.251 397 G CA 0.108 45.245 45.100 0.062 0.000 1.129 397 G HN 0.460 nan 8.290 nan 0.000 0.573 398 N N 2.667 121.388 118.700 0.035 0.000 2.280 398 N HA 0.218 4.958 4.740 -0.001 0.000 0.192 398 N C -0.065 175.426 175.510 -0.031 0.000 1.109 398 N CA 1.271 54.327 53.050 0.009 0.000 0.855 398 N CB 0.206 38.700 38.487 0.012 0.000 0.974 398 N HN 0.833 nan 8.380 nan 0.000 0.482 399 D N -0.703 119.678 120.400 -0.031 0.000 2.228 399 D HA 0.495 5.135 4.640 -0.001 0.000 0.247 399 D C -0.510 175.639 176.300 -0.252 0.000 0.995 399 D CA -0.797 53.098 54.000 -0.176 0.000 0.903 399 D CB 1.759 42.473 40.800 -0.143 0.000 1.205 399 D HN -0.307 nan 8.370 nan 0.000 0.459 400 V N 0.859 120.483 119.914 -0.484 0.000 2.588 400 V HA 0.488 4.607 4.120 -0.001 0.000 0.304 400 V C -1.171 174.616 176.094 -0.512 0.000 1.042 400 V CA -0.768 61.347 62.300 -0.309 0.000 0.877 400 V CB 0.972 32.696 31.823 -0.165 0.000 0.996 400 V HN 0.508 nan 8.190 nan 0.000 0.425 401 F N 3.873 123.907 119.950 0.140 0.000 2.507 401 F HA 0.519 5.046 4.527 -0.000 0.000 0.328 401 F C -0.616 175.374 175.800 0.315 0.000 1.136 401 F CA -0.617 57.509 58.000 0.210 0.000 0.930 401 F CB 1.627 40.769 39.000 0.236 0.000 1.166 401 F HN 0.482 nan 8.300 nan 0.000 0.436 402 Y N 5.474 125.936 120.300 0.271 0.000 2.335 402 Y HA 0.633 5.183 4.550 -0.001 0.000 0.338 402 Y C -0.772 175.157 175.900 0.049 0.000 0.977 402 Y CA -0.922 57.281 58.100 0.172 0.000 1.114 402 Y CB 1.103 39.611 38.460 0.078 0.000 1.182 402 Y HN 0.561 nan 8.280 nan 0.000 0.463 403 M N 6.274 125.732 119.600 -0.238 0.000 2.465 403 M HA 0.573 5.052 4.480 -0.001 0.000 0.316 403 M C 0.095 176.293 176.300 -0.170 0.000 1.121 403 M CA 0.426 55.512 55.300 -0.356 0.000 0.934 403 M CB 1.305 33.200 32.600 -1.176 0.000 1.692 403 M HN 0.948 nan 8.290 nan 0.000 0.444 404 G N 2.887 111.640 108.800 -0.078 0.000 2.598 404 G HA2 0.220 4.179 3.960 -0.001 0.000 0.244 404 G HA3 0.220 4.179 3.960 -0.001 0.000 0.244 404 G C 0.148 175.182 174.900 0.223 0.000 1.302 404 G CA 0.004 45.099 45.100 -0.009 0.000 0.903 404 G HN 2.144 nan 8.290 nan 0.000 0.575 405 G N -2.472 106.485 108.800 0.262 0.000 2.610 405 G HA2 0.482 4.442 3.960 -0.001 0.000 0.304 405 G HA3 0.482 4.442 3.960 -0.001 0.000 0.304 405 G C 0.085 175.079 174.900 0.158 0.000 1.309 405 G CA 0.877 46.127 45.100 0.250 0.000 0.906 405 G HN 2.933 nan 8.290 nan 0.000 0.521 406 S N -1.223 114.567 115.700 0.150 0.000 2.548 406 S HA 0.790 5.260 4.470 -0.001 0.000 0.286 406 S C -0.153 174.491 174.600 0.073 0.000 1.098 406 S CA 0.168 58.422 58.200 0.090 0.000 0.930 406 S CB 1.798 65.028 63.200 0.050 0.000 1.070 406 S HN 2.110 nan 8.310 nan 0.000 0.480 407 N N 0.169 118.902 118.700 0.055 0.000 2.605 407 N HA 0.245 4.985 4.740 -0.001 0.000 0.265 407 N C -2.194 173.350 175.510 0.056 0.000 1.625 407 N CA -1.026 52.050 53.050 0.044 0.000 0.862 407 N CB 0.639 39.150 38.487 0.039 0.000 1.415 407 N HN 0.520 nan 8.380 nan 0.000 0.513 408 P HA 0.176 nan 4.420 nan 0.000 0.267 408 P C -0.690 176.476 177.300 -0.224 0.000 1.289 408 P CA 0.221 63.258 63.100 -0.105 0.000 0.866 408 P CB 0.175 31.759 31.700 -0.193 0.000 1.309 409 Y N 0.697 120.995 120.300 -0.004 0.000 2.403 409 Y HA 0.394 4.943 4.550 -0.001 0.000 0.323 409 Y C 1.436 177.327 175.900 -0.015 0.000 1.226 409 Y CA -0.783 57.307 58.100 -0.016 0.000 1.235 409 Y CB 1.005 39.451 38.460 -0.024 0.000 1.248 409 Y HN -0.343 nan 8.280 nan 0.000 0.489 410 R N 1.065 121.644 120.500 0.132 0.000 2.594 410 R HA 0.447 4.787 4.340 -0.001 0.000 0.272 410 R C -0.739 175.577 176.300 0.027 0.000 1.074 410 R CA -0.414 55.716 56.100 0.050 0.000 1.105 410 R CB 0.538 30.837 30.300 -0.001 0.000 1.008 410 R HN 0.535 nan 8.270 nan 0.000 0.472 411 V N -0.404 119.509 119.914 -0.001 0.000 3.102 411 V HA 0.424 4.544 4.120 -0.001 0.000 0.312 411 V C -0.247 175.780 176.094 -0.112 0.000 1.135 411 V CA -0.982 61.295 62.300 -0.039 0.000 1.022 411 V CB 2.281 34.103 31.823 -0.002 0.000 1.056 411 V HN 0.931 nan 8.190 nan 0.000 0.436 412 N N -0.864 117.744 118.700 -0.154 0.000 2.200 412 N HA 0.188 4.927 4.740 -0.001 0.000 0.224 412 N C -0.030 175.379 175.510 -0.168 0.000 1.179 412 N CA -0.370 52.525 53.050 -0.258 0.000 0.877 412 N CB -0.055 38.205 38.487 -0.379 0.000 1.072 412 N HN 0.858 nan 8.380 nan 0.000 0.519 413 E N 0.598 120.749 120.200 -0.080 0.000 2.383 413 E HA 0.256 4.606 4.350 -0.001 0.000 0.264 413 E C -0.279 176.313 176.600 -0.013 0.000 1.050 413 E CA -0.051 56.335 56.400 -0.024 0.000 0.896 413 E CB 1.401 31.101 29.700 -0.000 0.000 0.982 413 E HN 0.250 nan 8.360 nan 0.000 0.424 414 I N 3.251 123.814 120.570 -0.012 0.000 2.354 414 I HA 0.212 4.382 4.170 -0.001 0.000 0.292 414 I C -0.480 175.689 176.117 0.087 0.000 0.989 414 I CA -0.494 60.804 61.300 -0.003 0.000 1.188 414 I CB 0.707 38.606 38.000 -0.168 0.000 1.342 414 I HN 0.244 nan 8.210 nan 0.000 0.457 415 L N 6.187 127.502 121.223 0.152 0.000 2.295 415 L HA 0.425 4.764 4.340 -0.001 0.000 0.285 415 L C -0.088 176.870 176.870 0.145 0.000 1.035 415 L CA -0.488 54.423 54.840 0.119 0.000 0.806 415 L CB 1.589 43.684 42.059 0.060 0.000 1.214 415 L HN 0.592 nan 8.230 nan 0.000 0.426 416 Q N 3.722 123.569 119.800 0.078 0.000 2.274 416 Q HA 0.523 4.863 4.340 -0.001 0.000 0.256 416 Q C -1.436 174.477 176.000 -0.145 0.000 0.927 416 Q CA -0.540 55.202 55.803 -0.102 0.000 0.939 416 Q CB 1.188 29.887 28.738 -0.065 0.000 1.201 416 Q HN 0.547 nan 8.270 nan 0.000 0.426 417 L N 2.651 123.738 121.223 -0.226 0.000 2.307 417 L HA 0.486 4.826 4.340 -0.001 0.000 0.284 417 L C -0.509 176.219 176.870 -0.238 0.000 1.023 417 L CA -0.733 53.995 54.840 -0.187 0.000 0.810 417 L CB 1.960 43.928 42.059 -0.152 0.000 1.231 417 L HN 0.570 nan 8.230 nan 0.000 0.423 418 S N 4.127 119.687 115.700 -0.233 0.000 2.498 418 S HA 0.567 5.037 4.470 -0.001 0.000 0.324 418 S C -0.195 174.065 174.600 -0.567 0.000 1.071 418 S CA -0.455 57.556 58.200 -0.314 0.000 1.113 418 S CB 0.914 64.002 63.200 -0.187 0.000 0.976 418 S HN 0.356 nan 8.310 nan 0.000 0.462 419 I N 3.933 124.175 120.570 -0.547 0.000 2.353 419 I HA 0.378 4.547 4.170 -0.001 0.000 0.293 419 I C -0.196 175.569 176.117 -0.586 0.000 0.992 419 I CA -0.444 60.526 61.300 -0.550 0.000 1.268 419 I CB 0.768 38.498 38.000 -0.450 0.000 1.387 419 I HN 0.647 nan 8.210 nan 0.000 0.478 420 H N 3.606 122.642 119.070 -0.056 0.000 2.747 420 H HA 0.167 4.722 4.556 -0.001 0.000 0.371 420 H C 0.187 175.535 175.328 0.033 0.000 1.161 420 H CA -0.816 55.245 56.048 0.022 0.000 1.167 420 H CB 1.164 30.923 29.762 -0.005 0.000 1.732 420 H HN 0.598 nan 8.280 nan 0.000 0.544 421 Y N 0.901 121.311 120.300 0.185 0.000 2.173 421 Y HA -0.333 4.217 4.550 -0.001 0.000 0.282 421 Y C 1.495 177.472 175.900 0.129 0.000 1.192 421 Y CA 1.993 60.178 58.100 0.141 0.000 1.176 421 Y CB -0.278 38.238 38.460 0.093 0.000 0.969 421 Y HN 0.702 nan 8.280 nan 0.000 0.519 422 D N 0.659 120.432 120.400 -1.045 0.000 2.262 422 D HA 0.058 4.697 4.640 -0.001 0.000 0.212 422 D C 0.505 176.628 176.300 -0.294 0.000 0.964 422 D CA 0.961 54.462 54.000 -0.832 0.000 0.875 422 D CB -0.061 40.058 40.800 -1.135 0.000 0.996 422 D HN 0.687 nan 8.370 nan 0.000 0.497 423 K N -0.943 119.353 120.400 -0.174 0.000 2.428 423 K HA 0.605 4.925 4.320 -0.001 0.000 0.279 423 K C -1.419 175.164 176.600 -0.028 0.000 1.041 423 K CA -0.962 55.288 56.287 -0.063 0.000 0.887 423 K CB 1.452 33.921 32.500 -0.052 0.000 1.535 423 K HN -0.107 nan 8.250 nan 0.000 0.417 424 I N 1.709 122.248 120.570 -0.051 0.000 2.447 424 I HA 0.256 4.426 4.170 -0.001 0.000 0.287 424 I C -1.118 174.958 176.117 -0.068 0.000 1.023 424 I CA -0.942 60.287 61.300 -0.118 0.000 1.083 424 I CB 1.902 39.801 38.000 -0.168 0.000 1.245 424 I HN 0.583 nan 8.210 nan 0.000 0.434 425 D N 7.833 128.196 120.400 -0.061 0.000 2.283 425 D HA 0.624 5.264 4.640 -0.001 0.000 0.248 425 D C -0.327 175.939 176.300 -0.056 0.000 1.072 425 D CA 0.110 54.105 54.000 -0.009 0.000 0.929 425 D CB 1.437 42.293 40.800 0.093 0.000 1.182 425 D HN 0.374 nan 8.370 nan 0.000 0.433 426 M N 0.013 119.593 119.600 -0.034 0.000 2.421 426 M HA 0.482 4.962 4.480 -0.001 0.000 0.287 426 M C -1.151 175.141 176.300 -0.013 0.000 1.183 426 M CA -1.044 54.232 55.300 -0.040 0.000 0.916 426 M CB 2.843 35.411 32.600 -0.054 0.000 1.701 426 M HN 0.113 nan 8.290 nan 0.000 0.470 427 K N 1.090 121.489 120.400 -0.002 0.000 2.498 427 K HA 0.525 4.845 4.320 -0.001 0.000 0.254 427 K C -1.581 175.043 176.600 0.041 0.000 0.933 427 K CA -0.760 55.539 56.287 0.021 0.000 0.806 427 K CB 2.168 34.686 32.500 0.030 0.000 1.301 427 K HN 0.761 nan 8.250 nan 0.000 0.432 428 N N 2.430 121.155 118.700 0.042 0.000 2.530 428 N HA 0.177 4.917 4.740 -0.001 0.000 0.273 428 N C -0.481 175.076 175.510 0.079 0.000 1.173 428 N CA -0.061 53.022 53.050 0.055 0.000 0.967 428 N CB 0.882 39.393 38.487 0.040 0.000 1.109 428 N HN 0.460 nan 8.380 nan 0.000 0.453 429 I N 2.159 122.786 120.570 0.095 0.000 2.312 429 I HA 0.100 4.269 4.170 -0.001 0.000 0.290 429 I C 0.587 176.766 176.117 0.104 0.000 1.008 429 I CA -0.385 60.989 61.300 0.124 0.000 1.226 429 I CB 0.813 38.912 38.000 0.165 0.000 1.371 429 I HN 0.263 nan 8.210 nan 0.000 0.468 430 E N 5.467 125.729 120.200 0.104 0.000 2.360 430 E HA 0.187 4.536 4.350 -0.001 0.000 0.269 430 E C -0.445 176.237 176.600 0.138 0.000 1.022 430 E CA -0.229 56.231 56.400 0.100 0.000 0.887 430 E CB 1.757 31.505 29.700 0.079 0.000 0.990 430 E HN 0.447 nan 8.360 nan 0.000 0.426 431 V N 0.316 120.323 119.914 0.156 0.000 2.612 431 V HA 0.304 4.424 4.120 -0.001 0.000 0.301 431 V C 0.427 176.619 176.094 0.163 0.000 1.046 431 V CA -0.452 61.979 62.300 0.218 0.000 0.946 431 V CB 1.945 33.969 31.823 0.336 0.000 1.003 431 V HN 0.584 nan 8.190 nan 0.000 0.459 432 S N 1.523 117.312 115.700 0.147 0.000 2.524 432 S HA 0.178 4.647 4.470 -0.001 0.000 0.215 432 S C 0.808 175.474 174.600 0.109 0.000 0.986 432 S CA 0.270 58.529 58.200 0.098 0.000 0.911 432 S CB -0.052 63.181 63.200 0.055 0.000 0.805 432 S HN 1.066 nan 8.310 nan 0.000 0.501 433 S N 1.391 117.190 115.700 0.164 0.000 2.616 433 S HA 0.382 4.851 4.470 -0.001 0.000 0.277 433 S C 1.250 175.939 174.600 0.149 0.000 1.234 433 S CA -0.344 57.958 58.200 0.169 0.000 1.028 433 S CB 1.517 64.866 63.200 0.249 0.000 0.988 433 S HN 0.252 nan 8.310 nan 0.000 0.522 434 S N 0.563 116.337 115.700 0.124 0.000 2.387 434 S HA -0.005 4.464 4.470 -0.001 0.000 0.226 434 S C 0.357 175.020 174.600 0.105 0.000 1.026 434 S CA 0.359 58.617 58.200 0.095 0.000 0.972 434 S CB -0.602 62.644 63.200 0.076 0.000 0.814 434 S HN 0.818 nan 8.310 nan 0.000 0.477 435 E N 1.479 121.776 120.200 0.161 0.000 2.216 435 E HA 0.525 4.875 4.350 -0.001 0.000 0.279 435 E C -0.802 175.894 176.600 0.161 0.000 0.997 435 E CA -0.649 55.869 56.400 0.196 0.000 0.817 435 E CB 1.981 31.866 29.700 0.308 0.000 1.096 435 E HN 0.373 nan 8.360 nan 0.000 0.393 436 V N 0.221 120.054 119.914 -0.135 0.000 3.007 436 V HA 0.611 4.731 4.120 -0.001 0.000 0.311 436 V C -2.677 172.668 176.094 -1.249 0.000 1.120 436 V CA -2.638 59.258 62.300 -0.673 0.000 0.980 436 V CB 1.692 33.248 31.823 -0.444 0.000 1.033 436 V HN 0.501 nan 8.190 nan 0.000 0.429 437 P HA 0.215 nan 4.420 nan 0.000 0.271 437 P C 0.125 176.876 177.300 -0.915 0.000 1.216 437 P CA 0.150 62.138 63.100 -1.853 0.000 0.776 437 P CB 1.199 31.551 31.700 -2.247 0.000 0.881 438 V N 0.243 119.837 119.914 -0.533 0.000 2.999 438 V HA 0.356 4.475 4.120 -0.001 0.000 0.307 438 V C 0.615 176.496 176.094 -0.355 0.000 1.084 438 V CA -0.854 61.241 62.300 -0.342 0.000 1.155 438 V CB -0.705 31.000 31.823 -0.198 0.000 0.975 438 V HN 0.730 nan 8.190 nan 0.000 0.490 439 A N 5.381 128.042 122.820 -0.265 0.000 2.565 439 A HA 0.528 4.848 4.320 -0.001 0.000 0.237 439 A C 0.601 178.070 177.584 -0.192 0.000 1.053 439 A CA 0.466 52.371 52.037 -0.220 0.000 0.755 439 A CB -0.164 18.755 19.000 -0.135 0.000 0.980 439 A HN 1.383 nan 8.150 nan 0.000 0.506 440 R N 1.201 121.588 120.500 -0.189 0.000 2.728 440 R HA 0.749 5.088 4.340 -0.001 0.000 0.274 440 R C -0.985 175.320 176.300 0.008 0.000 1.030 440 R CA -0.753 55.269 56.100 -0.129 0.000 0.876 440 R CB 1.037 31.227 30.300 -0.184 0.000 1.259 440 R HN 0.975 nan 8.270 nan 0.000 0.468 441 M N -1.059 118.601 119.600 0.099 0.000 2.667 441 M HA 0.570 5.050 4.480 -0.001 0.000 0.286 441 M C -0.652 175.747 176.300 0.165 0.000 1.270 441 M CA -0.689 54.736 55.300 0.209 0.000 0.826 441 M CB 2.165 34.811 32.600 0.077 0.000 1.743 441 M HN 0.797 nan 8.290 nan 0.000 0.460 442 C N 1.057 120.382 119.300 0.042 0.000 4.397 442 C HA -0.128 4.331 4.460 -0.001 0.000 0.291 442 C C 0.516 175.529 174.990 0.038 0.000 1.408 442 C CA 1.088 60.112 59.018 0.009 0.000 1.971 442 C CB -3.725 24.053 27.740 0.063 0.000 1.258 442 C HN 1.062 nan 8.230 nan 0.000 0.795 443 H N 0.257 119.350 119.070 0.038 0.000 2.530 443 H HA 0.743 5.298 4.556 -0.001 0.000 0.342 443 H C 0.262 175.562 175.328 -0.045 0.000 1.312 443 H CA 0.362 56.464 56.048 0.090 0.000 1.376 443 H CB 0.740 30.556 29.762 0.090 0.000 1.692 443 H HN 0.469 nan 8.280 nan 0.000 0.622 444 T N -2.032 112.618 114.554 0.160 0.000 2.932 444 T HA 0.528 4.878 4.350 -0.001 0.000 0.289 444 T C -1.044 173.903 174.700 0.411 0.000 1.039 444 T CA -0.827 61.346 62.100 0.121 0.000 1.024 444 T CB 1.615 70.546 68.868 0.104 0.000 1.090 444 T HN 0.448 nan 8.240 nan 0.000 0.496 445 F N 1.239 121.259 119.950 0.118 0.000 2.671 445 F HA 0.580 5.106 4.527 -0.001 0.000 0.332 445 F C -0.935 174.928 175.800 0.106 0.000 1.189 445 F CA -0.524 57.569 58.000 0.154 0.000 0.988 445 F CB 1.827 40.910 39.000 0.139 0.000 1.258 445 F HN 0.820 nan 8.300 nan 0.000 0.471 446 T N 3.622 118.130 114.554 -0.077 0.000 2.881 446 T HA 0.339 4.688 4.350 -0.001 0.000 0.290 446 T C -0.357 174.260 174.700 -0.138 0.000 1.000 446 T CA -0.618 61.448 62.100 -0.057 0.000 0.978 446 T CB 1.565 70.459 68.868 0.044 0.000 0.997 446 T HN 0.447 nan 8.240 nan 0.000 0.443 447 T N 4.452 118.946 114.554 -0.100 0.000 2.888 447 T HA 0.472 4.822 4.350 -0.001 0.000 0.301 447 T C 0.503 175.178 174.700 -0.041 0.000 1.001 447 T CA -0.038 62.012 62.100 -0.085 0.000 1.147 447 T CB -0.364 68.487 68.868 -0.028 0.000 0.931 447 T HN 0.591 nan 8.240 nan 0.000 0.541 448 I N -1.226 119.319 120.570 -0.042 0.000 3.354 448 I HA 0.689 4.859 4.170 -0.001 0.000 0.316 448 I C -0.129 175.975 176.117 -0.022 0.000 1.182 448 I CA -1.387 59.905 61.300 -0.014 0.000 0.942 448 I CB 1.771 39.782 38.000 0.018 0.000 1.299 448 I HN 0.522 nan 8.210 nan 0.000 0.473 449 S N 1.351 117.041 115.700 -0.017 0.000 3.797 449 S HA -0.150 4.320 4.470 -0.001 0.000 0.374 449 S C 0.395 174.980 174.600 -0.024 0.000 0.970 449 S CA 0.883 59.069 58.200 -0.024 0.000 1.177 449 S CB -1.312 61.870 63.200 -0.031 0.000 0.891 449 S HN 0.845 nan 8.310 nan 0.000 0.491 450 R N -0.161 120.330 120.500 -0.016 0.000 3.322 450 R HA -0.270 4.070 4.340 -0.001 0.000 0.253 450 R C 0.289 176.585 176.300 -0.007 0.000 0.987 450 R CA 0.866 56.961 56.100 -0.009 0.000 0.666 450 R CB -2.397 27.897 30.300 -0.011 0.000 1.072 450 R HN 0.840 nan 8.270 nan 0.000 0.447 451 N N -1.770 116.926 118.700 -0.007 0.000 2.850 451 N HA -0.183 4.556 4.740 -0.001 0.000 0.249 451 N C 0.158 175.663 175.510 -0.008 0.000 1.060 451 N CA 1.040 54.092 53.050 0.004 0.000 0.825 451 N CB -0.568 37.933 38.487 0.022 0.000 1.132 451 N HN 0.467 nan 8.380 nan 0.000 0.564 452 N N -0.032 118.646 118.700 -0.036 0.000 2.250 452 N HA 0.097 4.837 4.740 -0.001 0.000 0.190 452 N C -0.176 175.263 175.510 -0.119 0.000 1.116 452 N CA 0.617 53.628 53.050 -0.065 0.000 0.881 452 N CB 0.544 38.994 38.487 -0.061 0.000 1.006 452 N HN 0.476 nan 8.380 nan 0.000 0.491 453 Q N 0.000 119.735 119.800 -0.109 0.000 2.495 453 Q HA 0.588 4.927 4.340 -0.001 0.000 0.287 453 Q C -1.215 174.695 176.000 -0.150 0.000 1.078 453 Q CA -0.665 55.054 55.803 -0.140 0.000 0.793 453 Q CB 2.708 31.390 28.738 -0.094 0.000 1.459 453 Q HN -0.044 nan 8.270 nan 0.000 0.422 454 L N 1.589 122.707 121.223 -0.177 0.000 2.410 454 L HA 0.479 4.818 4.340 -0.001 0.000 0.270 454 L C -1.376 175.408 176.870 -0.144 0.000 0.983 454 L CA -0.740 53.888 54.840 -0.354 0.000 0.822 454 L CB 1.911 43.477 42.059 -0.821 0.000 1.285 454 L HN 0.387 nan 8.230 nan 0.000 0.409 455 L N 4.285 125.454 121.223 -0.090 0.000 2.272 455 L HA 0.540 4.880 4.340 -0.001 0.000 0.289 455 L C -0.960 176.098 176.870 0.312 0.000 1.032 455 L CA -0.285 54.638 54.840 0.138 0.000 0.810 455 L CB 1.344 43.465 42.059 0.103 0.000 1.205 455 L HN 0.513 nan 8.230 nan 0.000 0.422 456 L N 6.824 128.360 121.223 0.521 0.000 2.265 456 L HA 0.568 4.907 4.340 -0.001 0.000 0.289 456 L C -1.041 176.064 176.870 0.392 0.000 1.033 456 L CA 0.052 55.244 54.840 0.586 0.000 0.814 456 L CB 0.714 43.149 42.059 0.628 0.000 1.203 456 L HN 0.446 nan 8.230 nan 0.000 0.423 457 I N 5.934 126.727 120.570 0.371 0.000 2.378 457 I HA 0.584 4.753 4.170 -0.001 0.000 0.291 457 I C 1.025 177.332 176.117 0.317 0.000 0.992 457 I CA 0.082 61.551 61.300 0.281 0.000 1.154 457 I CB 0.532 38.682 38.000 0.249 0.000 1.315 457 I HN 0.841 nan 8.210 nan 0.000 0.448 458 G N 5.091 113.997 108.800 0.176 0.000 2.566 458 G HA2 0.128 4.088 3.960 -0.001 0.000 0.280 458 G HA3 0.128 4.088 3.960 -0.001 0.000 0.280 458 G C 0.299 175.372 174.900 0.289 0.000 1.225 458 G CA 0.367 45.565 45.100 0.164 0.000 0.966 458 G HN 1.792 nan 8.290 nan 0.000 0.560 459 G N -1.712 107.320 108.800 0.387 0.000 2.483 459 G HA2 0.544 4.504 3.960 -0.001 0.000 0.521 459 G HA3 0.544 4.504 3.960 -0.001 0.000 0.521 459 G C -0.359 174.632 174.900 0.152 0.000 1.278 459 G CA 0.789 46.078 45.100 0.316 0.000 0.965 459 G HN 2.543 nan 8.290 nan 0.000 0.504 460 R N -0.958 119.516 120.500 -0.043 0.000 2.739 460 R HA 0.791 5.131 4.340 -0.001 0.000 0.271 460 R C 0.379 176.555 176.300 -0.207 0.000 1.010 460 R CA -0.965 54.992 56.100 -0.238 0.000 0.897 460 R CB 1.607 31.446 30.300 -0.769 0.000 1.236 460 R HN 0.595 nan 8.270 nan 0.000 0.466 461 K N 0.896 121.171 120.400 -0.208 0.000 3.134 461 K HA 0.394 4.713 4.320 -0.001 0.000 0.164 461 K C 0.699 177.176 176.600 -0.205 0.000 1.133 461 K CA 0.061 56.243 56.287 -0.175 0.000 1.402 461 K CB -0.192 32.218 32.500 -0.151 0.000 1.945 461 K HN 0.602 nan 8.250 nan 0.000 0.482 462 A N 1.637 124.357 122.820 -0.167 0.000 2.366 462 A HA 0.111 4.431 4.320 -0.001 0.000 0.250 462 A C -1.932 175.562 177.584 -0.149 0.000 1.099 462 A CA -0.759 51.219 52.037 -0.099 0.000 0.794 462 A CB -0.489 18.572 19.000 0.100 0.000 1.056 462 A HN 0.237 nan 8.150 nan 0.000 0.499 463 P HA -0.120 nan 4.420 nan 0.000 0.222 463 P C 0.626 177.975 177.300 0.082 0.000 1.147 463 P CA 1.572 64.604 63.100 -0.113 0.000 0.790 463 P CB -0.073 31.619 31.700 -0.014 0.000 0.780 464 H N -1.857 117.184 119.070 -0.049 0.000 2.526 464 H HA 0.252 4.807 4.556 -0.001 0.000 0.274 464 H C 0.171 175.497 175.328 -0.004 0.000 0.999 464 H CA 0.129 56.180 56.048 0.005 0.000 1.157 464 H CB -0.563 29.197 29.762 -0.003 0.000 1.407 464 H HN 0.198 nan 8.280 nan 0.000 0.568 465 Q N 1.202 120.843 119.800 -0.266 0.000 2.470 465 Q HA 0.309 4.649 4.340 -0.001 0.000 0.389 465 Q C 0.255 176.167 176.000 -0.146 0.000 0.888 465 Q CA -0.478 55.162 55.803 -0.273 0.000 1.106 465 Q CB 1.368 29.875 28.738 -0.384 0.000 1.368 465 Q HN 0.477 nan 8.270 nan 0.000 0.403 466 G N 0.853 109.652 108.800 -0.002 0.000 2.484 466 G HA2 0.252 4.211 3.960 -0.001 0.000 0.235 466 G HA3 0.252 4.211 3.960 -0.001 0.000 0.235 466 G C -0.289 174.655 174.900 0.075 0.000 1.282 466 G CA -0.103 45.091 45.100 0.156 0.000 0.857 466 G HN 0.276 nan 8.290 nan 0.000 0.571 467 L N 0.729 122.008 121.223 0.093 0.000 2.330 467 L HA 0.461 4.801 4.340 -0.001 0.000 0.271 467 L C 1.083 177.983 176.870 0.050 0.000 1.013 467 L CA -0.704 54.166 54.840 0.050 0.000 0.816 467 L CB 2.372 44.454 42.059 0.039 0.000 1.287 467 L HN 0.676 nan 8.230 nan 0.000 0.435 468 S N -2.350 113.363 115.700 0.022 0.000 2.632 468 S HA 0.081 4.550 4.470 -0.001 0.000 0.237 468 S C 0.004 174.600 174.600 -0.007 0.000 1.037 468 S CA -0.603 57.588 58.200 -0.015 0.000 1.009 468 S CB -0.105 63.071 63.200 -0.040 0.000 0.974 468 S HN 0.707 nan 8.310 nan 0.000 0.544 469 D N 2.275 122.705 120.400 0.050 0.000 2.277 469 D HA 0.285 4.924 4.640 -0.001 0.000 0.249 469 D C -0.808 175.588 176.300 0.160 0.000 1.134 469 D CA -0.358 53.683 54.000 0.070 0.000 0.863 469 D CB 0.617 41.508 40.800 0.152 0.000 1.143 469 D HN 0.056 nan 8.370 nan 0.000 0.458 470 N N 2.065 120.789 118.700 0.041 0.000 2.404 470 N HA 0.484 5.224 4.740 -0.001 0.000 0.297 470 N C -0.909 174.612 175.510 0.018 0.000 1.163 470 N CA -0.388 52.753 53.050 0.152 0.000 0.864 470 N CB 1.496 40.036 38.487 0.088 0.000 1.247 470 N HN 0.503 nan 8.380 nan 0.000 0.510 471 W N 0.196 121.581 121.300 0.141 0.000 3.083 471 W HA 0.597 5.257 4.660 -0.000 0.000 0.333 471 W C -0.569 176.171 176.519 0.369 0.000 1.217 471 W CA -0.461 57.038 57.345 0.257 0.000 1.170 471 W CB 1.148 30.769 29.460 0.268 0.000 1.437 471 W HN 0.142 nan 8.180 nan 0.000 0.557 472 I N 2.174 123.109 120.570 0.607 0.000 2.465 472 I HA 0.331 4.500 4.170 -0.001 0.000 0.291 472 I C -1.167 175.187 176.117 0.395 0.000 1.014 472 I CA -1.023 60.525 61.300 0.414 0.000 1.093 472 I CB 1.476 39.595 38.000 0.198 0.000 1.267 472 I HN 0.197 nan 8.210 nan 0.000 0.431 473 F N 5.628 125.529 119.950 -0.080 0.000 2.415 473 F HA 0.354 4.881 4.527 -0.001 0.000 0.348 473 F C -0.142 175.453 175.800 -0.342 0.000 1.119 473 F CA -0.630 57.054 58.000 -0.525 0.000 1.069 473 F CB 1.025 39.381 39.000 -1.072 0.000 1.124 473 F HN 0.390 nan 8.300 nan 0.000 0.472 474 D N 5.725 125.565 120.400 -0.933 0.000 2.317 474 D HA 0.221 4.860 4.640 -0.001 0.000 0.234 474 D C 0.902 176.595 176.300 -1.013 0.000 1.112 474 D CA -0.181 53.397 54.000 -0.703 0.000 0.840 474 D CB 1.147 41.697 40.800 -0.416 0.000 1.078 474 D HN 0.677 nan 8.370 nan 0.000 0.486 475 M N 2.385 121.590 119.600 -0.659 0.000 2.132 475 M HA -0.097 4.383 4.480 -0.001 0.000 0.263 475 M C 1.830 177.935 176.300 -0.326 0.000 1.065 475 M CA 1.350 56.344 55.300 -0.509 0.000 1.122 475 M CB -0.023 32.395 32.600 -0.304 0.000 1.365 475 M HN 0.354 nan 8.290 nan 0.000 0.411 476 K N -0.216 120.035 120.400 -0.248 0.000 2.026 476 K HA -0.116 4.204 4.320 -0.001 0.000 0.208 476 K C 2.016 178.526 176.600 -0.150 0.000 1.048 476 K CA 1.948 58.147 56.287 -0.146 0.000 0.929 476 K CB -0.389 32.044 32.500 -0.110 0.000 0.713 476 K HN 0.476 nan 8.250 nan 0.000 0.439 477 T N -2.189 112.237 114.554 -0.214 0.000 3.065 477 T HA 0.118 4.468 4.350 -0.001 0.000 0.252 477 T C 0.460 175.040 174.700 -0.200 0.000 1.099 477 T CA -0.278 61.720 62.100 -0.169 0.000 1.063 477 T CB -0.024 68.755 68.868 -0.149 0.000 0.948 477 T HN 0.155 nan 8.240 nan 0.000 0.506 478 R N 1.275 121.547 120.500 -0.380 0.000 3.525 478 R HA -0.128 4.212 4.340 -0.001 0.000 0.276 478 R C -0.976 175.167 176.300 -0.262 0.000 1.116 478 R CA 0.697 56.567 56.100 -0.383 0.000 0.745 478 R CB -2.102 28.203 30.300 0.008 0.000 1.185 478 R HN 0.665 nan 8.270 nan 0.000 0.454 479 E N -0.371 119.586 120.200 -0.405 0.000 2.179 479 E HA 0.240 4.589 4.350 -0.001 0.000 0.275 479 E C -0.514 176.037 176.600 -0.081 0.000 0.945 479 E CA -0.660 55.672 56.400 -0.114 0.000 0.792 479 E CB 0.860 30.531 29.700 -0.048 0.000 1.125 479 E HN 0.105 nan 8.360 nan 0.000 0.397 480 W N 1.736 123.172 121.300 0.226 0.000 2.376 480 W HA 0.257 4.917 4.660 -0.001 0.000 0.322 480 W C 0.087 176.830 176.519 0.374 0.000 1.160 480 W CA -0.287 57.279 57.345 0.368 0.000 1.218 480 W CB 1.415 31.078 29.460 0.339 0.000 1.205 480 W HN 0.374 nan 8.180 nan 0.000 0.559 481 S N 3.472 119.586 115.700 0.690 0.000 2.547 481 S HA 0.554 5.023 4.470 -0.001 0.000 0.281 481 S C -0.847 173.840 174.600 0.146 0.000 1.118 481 S CA -1.105 57.319 58.200 0.372 0.000 0.947 481 S CB 1.534 64.833 63.200 0.165 0.000 1.053 481 S HN 0.590 nan 8.310 nan 0.000 0.482 482 M N 4.846 124.158 119.600 -0.481 0.000 2.185 482 M HA 0.465 4.944 4.480 -0.001 0.000 0.357 482 M C -0.470 175.564 176.300 -0.442 0.000 1.260 482 M CA -0.528 54.131 55.300 -1.068 0.000 1.124 482 M CB 0.207 31.885 32.600 -1.537 0.000 1.600 482 M HN 0.899 nan 8.290 nan 0.000 0.467 483 I N 1.178 121.551 120.570 -0.329 0.000 4.126 483 I HA 0.530 4.700 4.170 -0.001 0.000 0.245 483 I C -0.279 175.779 176.117 -0.099 0.000 1.367 483 I CA -1.232 59.991 61.300 -0.129 0.000 1.178 483 I CB 0.554 38.537 38.000 -0.029 0.000 1.495 483 I HN 0.618 nan 8.210 nan 0.000 0.561 484 K N 1.201 121.609 120.400 0.014 0.000 2.448 484 K HA 0.161 4.481 4.320 -0.001 0.000 0.278 484 K C -0.442 176.220 176.600 0.103 0.000 1.009 484 K CA -0.043 56.293 56.287 0.082 0.000 0.995 484 K CB 0.510 33.132 32.500 0.203 0.000 0.917 484 K HN 0.658 nan 8.250 nan 0.000 0.481 485 S N 3.320 119.040 115.700 0.034 0.000 2.610 485 S HA 0.259 4.728 4.470 -0.001 0.000 0.273 485 S C 0.045 174.604 174.600 -0.068 0.000 1.274 485 S CA -0.848 57.340 58.200 -0.020 0.000 1.023 485 S CB 0.586 63.755 63.200 -0.052 0.000 0.962 485 S HN 0.453 nan 8.310 nan 0.000 0.523 486 L N 1.764 122.866 121.223 -0.200 0.000 2.467 486 L HA 0.113 4.452 4.340 -0.001 0.000 0.270 486 L C 1.407 178.163 176.870 -0.189 0.000 1.205 486 L CA -0.230 54.404 54.840 -0.343 0.000 0.828 486 L CB 0.288 42.154 42.059 -0.321 0.000 1.101 486 L HN 0.668 nan 8.230 nan 0.000 0.479 487 S N -0.916 114.677 115.700 -0.178 0.000 2.461 487 S HA -0.029 4.441 4.470 -0.001 0.000 0.228 487 S C -0.046 174.307 174.600 -0.411 0.000 1.005 487 S CA 0.769 58.813 58.200 -0.259 0.000 0.942 487 S CB -0.172 62.853 63.200 -0.292 0.000 0.776 487 S HN 0.556 nan 8.310 nan 0.000 0.514 488 H N 0.646 119.645 119.070 -0.119 0.000 2.589 488 H HA 0.373 4.929 4.556 -0.000 0.000 0.351 488 H C 0.177 175.448 175.328 -0.095 0.000 1.074 488 H CA -0.812 55.183 56.048 -0.089 0.000 1.203 488 H CB 0.874 30.585 29.762 -0.086 0.000 1.558 488 H HN 0.032 nan 8.280 nan 0.000 0.522 489 T N 0.759 115.344 114.554 0.052 0.000 2.906 489 T HA 0.211 4.561 4.350 -0.001 0.000 0.320 489 T C 0.279 175.003 174.700 0.040 0.000 1.088 489 T CA -0.622 61.507 62.100 0.047 0.000 1.120 489 T CB 0.894 69.811 68.868 0.083 0.000 1.000 489 T HN 0.707 nan 8.240 nan 0.000 0.550 490 R N 1.775 122.304 120.500 0.048 0.000 2.522 490 R HA 0.511 4.851 4.340 -0.001 0.000 0.273 490 R C -1.761 174.656 176.300 0.195 0.000 1.133 490 R CA -0.918 55.174 56.100 -0.013 0.000 0.969 490 R CB 1.133 31.315 30.300 -0.197 0.000 1.235 490 R HN 0.801 nan 8.270 nan 0.000 0.433 491 F N 0.494 120.550 119.950 0.177 0.000 2.643 491 F HA 0.599 5.126 4.527 -0.001 0.000 0.314 491 F C 0.287 176.203 175.800 0.193 0.000 1.096 491 F CA -1.153 57.001 58.000 0.255 0.000 0.953 491 F CB 1.459 40.522 39.000 0.105 0.000 1.345 491 F HN 0.663 nan 8.300 nan 0.000 0.468 492 R N 0.460 121.115 120.500 0.258 0.000 3.875 492 R HA -0.184 4.156 4.340 -0.001 0.000 0.321 492 R C -0.138 176.140 176.300 -0.036 0.000 1.196 492 R CA 1.132 57.251 56.100 0.032 0.000 0.868 492 R CB -2.178 28.143 30.300 0.036 0.000 1.333 492 R HN 0.970 nan 8.270 nan 0.000 0.522 493 H N -1.113 117.949 119.070 -0.013 0.000 2.597 493 H HA 0.512 5.068 4.556 -0.000 0.000 0.370 493 H C 0.022 175.352 175.328 0.002 0.000 1.281 493 H CA -0.181 55.860 56.048 -0.011 0.000 1.422 493 H CB 0.802 30.568 29.762 0.006 0.000 1.524 493 H HN -0.038 nan 8.280 nan 0.000 0.607 494 S N -0.726 114.996 115.700 0.037 0.000 2.607 494 S HA 0.761 5.231 4.470 -0.001 0.000 0.303 494 S C -0.541 174.113 174.600 0.090 0.000 1.086 494 S CA -0.355 57.840 58.200 -0.009 0.000 0.995 494 S CB 1.815 65.020 63.200 0.009 0.000 1.084 494 S HN 1.011 nan 8.310 nan 0.000 0.507 495 A N 0.475 123.338 122.820 0.072 0.000 2.539 495 A HA 0.845 5.164 4.320 -0.001 0.000 0.296 495 A C -0.772 176.870 177.584 0.095 0.000 1.073 495 A CA -0.814 51.292 52.037 0.116 0.000 0.700 495 A CB 0.713 19.807 19.000 0.157 0.000 1.296 495 A HN 1.465 nan 8.150 nan 0.000 0.405 496 C N -0.366 118.992 119.300 0.097 0.000 3.082 496 C HA 0.847 5.307 4.460 -0.001 0.000 0.324 496 C C 0.114 175.131 174.990 0.045 0.000 1.210 496 C CA -0.582 58.494 59.018 0.096 0.000 1.366 496 C CB 0.863 28.701 27.740 0.164 0.000 1.756 496 C HN 1.263 nan 8.230 nan 0.000 0.485 497 S N 1.138 116.861 115.700 0.039 0.000 2.549 497 S HA 0.612 5.081 4.470 -0.001 0.000 0.279 497 S C -0.280 174.271 174.600 -0.082 0.000 1.321 497 S CA -0.300 57.894 58.200 -0.010 0.000 1.054 497 S CB -0.134 63.075 63.200 0.015 0.000 0.899 497 S HN 0.631 nan 8.310 nan 0.000 0.497 498 L N 5.549 126.655 121.223 -0.196 0.000 2.358 498 L HA 0.423 4.762 4.340 -0.001 0.000 0.268 498 L C -1.494 175.280 176.870 -0.160 0.000 1.032 498 L CA -2.252 52.362 54.840 -0.378 0.000 0.805 498 L CB 0.951 42.615 42.059 -0.658 0.000 1.253 498 L HN 0.457 nan 8.230 nan 0.000 0.452 499 P HA -0.117 nan 4.420 nan 0.000 0.223 499 P C 0.301 177.621 177.300 0.032 0.000 1.151 499 P CA 0.812 63.929 63.100 0.030 0.000 0.787 499 P CB 0.015 31.780 31.700 0.108 0.000 0.788 500 D N -1.998 118.428 120.400 0.043 0.000 2.340 500 D HA 0.114 4.753 4.640 -0.001 0.000 0.220 500 D C 1.433 177.732 176.300 -0.001 0.000 1.039 500 D CA 0.496 54.518 54.000 0.038 0.000 0.866 500 D CB -0.863 39.987 40.800 0.083 0.000 0.913 500 D HN 0.197 nan 8.370 nan 0.000 0.523 501 G N -0.269 108.517 108.800 -0.022 0.000 2.175 501 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.244 501 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.244 501 G C 0.189 175.062 174.900 -0.046 0.000 0.982 501 G CA -0.113 44.969 45.100 -0.029 0.000 0.641 501 G HN 0.388 nan 8.290 nan 0.000 0.527 502 N N -0.401 118.257 118.700 -0.071 0.000 2.408 502 N HA 0.562 5.302 4.740 -0.001 0.000 0.260 502 N C -0.003 175.456 175.510 -0.084 0.000 1.242 502 N CA 0.055 53.051 53.050 -0.089 0.000 0.959 502 N CB 1.544 39.969 38.487 -0.103 0.000 1.201 502 N HN 0.152 nan 8.380 nan 0.000 0.511 503 V N 1.668 121.570 119.914 -0.020 0.000 2.487 503 V HA 0.295 4.415 4.120 -0.001 0.000 0.298 503 V C -0.240 175.865 176.094 0.019 0.000 1.028 503 V CA -0.816 61.500 62.300 0.026 0.000 0.860 503 V CB 1.705 33.609 31.823 0.135 0.000 0.991 503 V HN 0.394 nan 8.190 nan 0.000 0.427 504 L N 6.379 127.583 121.223 -0.031 0.000 2.312 504 L HA 0.628 4.968 4.340 -0.001 0.000 0.281 504 L C -0.517 176.391 176.870 0.063 0.000 1.070 504 L CA 0.329 55.155 54.840 -0.023 0.000 0.805 504 L CB 1.020 43.030 42.059 -0.082 0.000 1.174 504 L HN 0.535 nan 8.230 nan 0.000 0.434 505 I N 5.774 126.393 120.570 0.081 0.000 2.418 505 I HA 0.348 4.518 4.170 -0.001 0.000 0.287 505 I C -1.203 174.963 176.117 0.083 0.000 1.008 505 I CA -0.646 60.729 61.300 0.124 0.000 1.104 505 I CB 1.872 39.956 38.000 0.140 0.000 1.264 505 I HN 0.413 nan 8.210 nan 0.000 0.438 506 L N 7.285 128.575 121.223 0.112 0.000 2.325 506 L HA 0.867 5.206 4.340 -0.001 0.000 0.281 506 L C 0.556 177.496 176.870 0.117 0.000 1.004 506 L CA 0.536 55.435 54.840 0.098 0.000 0.823 506 L CB 1.006 43.126 42.059 0.101 0.000 1.236 506 L HN 0.850 nan 8.230 nan 0.000 0.415 507 G N 3.514 112.370 108.800 0.092 0.000 2.583 507 G HA2 0.229 4.189 3.960 -0.001 0.000 0.292 507 G HA3 0.229 4.189 3.960 -0.001 0.000 0.292 507 G C 0.591 175.518 174.900 0.045 0.000 1.203 507 G CA 0.019 45.159 45.100 0.067 0.000 0.987 507 G HN 2.401 nan 8.290 nan 0.000 0.554 508 G N -3.378 105.431 108.800 0.015 0.000 2.661 508 G HA2 0.298 4.258 3.960 -0.001 0.000 0.685 508 G HA3 0.298 4.258 3.960 -0.001 0.000 0.685 508 G C -0.281 174.523 174.900 -0.159 0.000 1.298 508 G CA 0.260 45.334 45.100 -0.044 0.000 0.855 508 G HN 1.965 nan 8.290 nan 0.000 0.560 509 V N 1.418 121.097 119.914 -0.392 0.000 2.397 509 V HA 0.611 4.731 4.120 -0.001 0.000 0.262 509 V C 0.896 176.785 176.094 -0.342 0.000 1.047 509 V CA 1.204 63.222 62.300 -0.470 0.000 1.003 509 V CB 0.370 31.600 31.823 -0.990 0.000 1.037 509 V HN 1.376 nan 8.190 nan 0.000 0.480 510 T N 3.210 117.667 114.554 -0.161 0.000 2.893 510 T HA 0.257 4.607 4.350 -0.001 0.000 0.337 510 T C 0.087 174.746 174.700 -0.067 0.000 1.587 510 T CA -0.527 61.515 62.100 -0.096 0.000 1.066 510 T CB 1.878 70.680 68.868 -0.110 0.000 1.414 510 T HN 0.588 nan 8.240 nan 0.000 0.488 511 E N 1.266 121.446 120.200 -0.033 0.000 2.479 511 E HA 0.222 4.571 4.350 -0.001 0.000 0.193 511 E C 1.104 177.542 176.600 -0.271 0.000 1.049 511 E CA 0.144 56.521 56.400 -0.039 0.000 0.870 511 E CB 0.284 30.039 29.700 0.091 0.000 0.944 511 E HN 0.704 nan 8.360 nan 0.000 0.492 512 G N 2.038 110.550 108.800 -0.480 0.000 2.525 512 G HA2 0.349 4.309 3.960 -0.001 0.000 0.287 512 G HA3 0.349 4.309 3.960 -0.001 0.000 0.287 512 G C -2.414 172.234 174.900 -0.419 0.000 1.350 512 G CA -1.041 43.481 45.100 -0.963 0.000 1.039 512 G HN -0.075 nan 8.290 nan 0.000 0.513 513 P HA 0.219 nan 4.420 nan 0.000 0.269 513 P C 0.653 177.907 177.300 -0.076 0.000 1.209 513 P CA 0.321 63.338 63.100 -0.139 0.000 0.776 513 P CB 1.070 32.718 31.700 -0.088 0.000 0.876 514 A N 3.118 125.931 122.820 -0.011 0.000 2.019 514 A HA -0.080 4.239 4.320 -0.001 0.000 0.219 514 A C 0.982 178.599 177.584 0.055 0.000 1.164 514 A CA 1.457 53.533 52.037 0.065 0.000 0.644 514 A CB -0.581 18.529 19.000 0.184 0.000 0.805 514 A HN 0.602 nan 8.150 nan 0.000 0.449 515 M N -0.421 119.168 119.600 -0.019 0.000 2.322 515 M HA 0.568 5.047 4.480 -0.001 0.000 0.286 515 M C -2.217 174.065 176.300 -0.031 0.000 1.111 515 M CA -0.420 54.849 55.300 -0.051 0.000 0.941 515 M CB 1.655 34.147 32.600 -0.179 0.000 1.671 515 M HN 0.125 nan 8.290 nan 0.000 0.470 516 L N 3.892 125.122 121.223 0.012 0.000 2.341 516 L HA 0.716 5.056 4.340 -0.001 0.000 0.267 516 L C -1.425 175.505 176.870 0.101 0.000 1.009 516 L CA -1.130 53.758 54.840 0.080 0.000 0.819 516 L CB 2.317 44.458 42.059 0.136 0.000 1.323 516 L HN 0.612 nan 8.230 nan 0.000 0.425 517 L N 1.659 122.962 121.223 0.134 0.000 2.356 517 L HA 0.443 4.783 4.340 -0.001 0.000 0.277 517 L C -1.313 175.649 176.870 0.154 0.000 0.996 517 L CA -0.269 54.628 54.840 0.096 0.000 0.822 517 L CB 1.361 43.443 42.059 0.038 0.000 1.256 517 L HN 0.384 nan 8.230 nan 0.000 0.413 518 Y N 5.274 125.565 120.300 -0.016 0.000 2.367 518 Y HA 0.404 4.953 4.550 -0.001 0.000 0.342 518 Y C -0.017 175.775 175.900 -0.180 0.000 0.979 518 Y CA -0.457 57.515 58.100 -0.214 0.000 1.161 518 Y CB 0.595 38.900 38.460 -0.258 0.000 1.155 518 Y HN 0.711 nan 8.280 nan 0.000 0.503 519 N N 5.769 124.035 118.700 -0.725 0.000 2.415 519 N HA 0.075 4.815 4.740 -0.001 0.000 0.246 519 N C 0.575 175.544 175.510 -0.902 0.000 1.078 519 N CA 0.201 52.899 53.050 -0.586 0.000 0.942 519 N CB 1.307 39.585 38.487 -0.349 0.000 1.140 519 N HN 0.677 nan 8.380 nan 0.000 0.501 520 V N 3.130 122.679 119.914 -0.608 0.000 2.295 520 V HA -0.239 3.881 4.120 -0.001 0.000 0.246 520 V C 2.445 178.370 176.094 -0.281 0.000 1.049 520 V CA 2.497 64.539 62.300 -0.430 0.000 1.024 520 V CB -0.842 30.905 31.823 -0.125 0.000 0.648 520 V HN 0.835 nan 8.190 nan 0.000 0.447 521 T N -2.123 112.303 114.554 -0.213 0.000 2.812 521 T HA -0.136 4.213 4.350 -0.001 0.000 0.264 521 T C 1.642 176.252 174.700 -0.149 0.000 1.042 521 T CA 1.183 63.200 62.100 -0.139 0.000 1.140 521 T CB -0.256 68.553 68.868 -0.098 0.000 0.870 521 T HN 0.397 nan 8.240 nan 0.000 0.445 522 E N 1.310 121.391 120.200 -0.198 0.000 2.371 522 E HA 0.043 4.393 4.350 -0.001 0.000 0.194 522 E C 0.384 176.874 176.600 -0.184 0.000 1.012 522 E CA 0.268 56.569 56.400 -0.166 0.000 0.860 522 E CB -0.281 29.327 29.700 -0.153 0.000 0.811 522 E HN 0.751 nan 8.360 nan 0.000 0.502 523 E N 0.107 120.126 120.200 -0.303 0.000 2.287 523 E HA -0.205 4.144 4.350 -0.001 0.000 0.229 523 E C -0.488 176.011 176.600 -0.168 0.000 1.194 523 E CA 0.281 56.549 56.400 -0.219 0.000 0.704 523 E CB -1.716 27.961 29.700 -0.039 0.000 1.216 523 E HN 0.255 nan 8.360 nan 0.000 0.381 524 I N 0.461 120.812 120.570 -0.364 0.000 2.619 524 I HA 0.409 4.578 4.170 -0.001 0.000 0.292 524 I C -0.151 175.831 176.117 -0.224 0.000 1.100 524 I CA -0.886 60.312 61.300 -0.170 0.000 1.043 524 I CB 1.351 39.278 38.000 -0.122 0.000 1.239 524 I HN -0.067 nan 8.210 nan 0.000 0.420 525 F N 4.573 124.614 119.950 0.152 0.000 2.404 525 F HA 0.478 5.005 4.527 -0.001 0.000 0.339 525 F C 0.249 176.093 175.800 0.073 0.000 1.105 525 F CA -0.438 57.657 58.000 0.157 0.000 1.087 525 F CB 1.436 40.527 39.000 0.152 0.000 1.143 525 F HN 0.258 nan 8.300 nan 0.000 0.491 526 K N 2.185 122.723 120.400 0.230 0.000 2.324 526 K HA 0.224 4.543 4.320 -0.001 0.000 0.253 526 K C -1.363 175.305 176.600 0.113 0.000 0.932 526 K CA -0.833 55.533 56.287 0.131 0.000 0.799 526 K CB 1.333 33.876 32.500 0.072 0.000 1.154 526 K HN 0.506 nan 8.250 nan 0.000 0.425 527 D N 3.825 124.271 120.400 0.077 0.000 2.338 527 D HA 0.044 4.683 4.640 -0.001 0.000 0.255 527 D C 0.231 176.541 176.300 0.017 0.000 1.237 527 D CA -0.207 53.816 54.000 0.038 0.000 0.883 527 D CB 1.127 41.943 40.800 0.026 0.000 1.087 527 D HN 0.333 nan 8.370 nan 0.000 0.485 528 V N 1.321 121.231 119.914 -0.008 0.000 3.085 528 V HA 0.276 4.396 4.120 -0.001 0.000 0.345 528 V C 0.520 176.548 176.094 -0.110 0.000 1.397 528 V CA -0.603 61.678 62.300 -0.032 0.000 1.165 528 V CB -0.462 31.356 31.823 -0.009 0.000 1.153 528 V HN 0.373 nan 8.190 nan 0.000 0.495 529 T N 4.834 119.320 114.554 -0.113 0.000 2.778 529 T HA 0.165 4.514 4.350 -0.001 0.000 0.282 529 T C -2.058 172.517 174.700 -0.208 0.000 0.983 529 T CA 0.449 62.435 62.100 -0.189 0.000 1.193 529 T CB 0.327 69.155 68.868 -0.067 0.000 0.938 529 T HN 0.467 nan 8.240 nan 0.000 0.523 530 P HA 0.151 nan 4.420 nan 0.000 0.272 530 P C -0.065 177.231 177.300 -0.006 0.000 1.230 530 P CA -0.440 62.522 63.100 -0.231 0.000 0.788 530 P CB 0.461 31.927 31.700 -0.391 0.000 0.949 531 K N 1.801 122.235 120.400 0.057 0.000 2.737 531 K HA 0.154 4.474 4.320 -0.001 0.000 0.251 531 K C -0.180 176.515 176.600 0.159 0.000 1.280 531 K CA 0.156 56.503 56.287 0.099 0.000 1.219 531 K CB -0.288 32.254 32.500 0.070 0.000 1.587 531 K HN 0.407 nan 8.250 nan 0.000 0.279 532 D N 0.726 121.282 120.400 0.261 0.000 2.964 532 D HA 0.057 4.697 4.640 -0.001 0.000 0.234 532 D C 0.236 176.729 176.300 0.321 0.000 1.223 532 D CA -0.284 53.901 54.000 0.307 0.000 0.889 532 D CB 1.473 42.533 40.800 0.434 0.000 1.609 532 D HN 0.153 nan 8.370 nan 0.000 0.523 533 E N 2.017 122.341 120.200 0.207 0.000 2.267 533 E HA -0.156 4.194 4.350 -0.001 0.000 0.197 533 E C 1.476 178.146 176.600 0.118 0.000 0.998 533 E CA 0.548 57.033 56.400 0.141 0.000 0.830 533 E CB 0.012 29.764 29.700 0.087 0.000 0.751 533 E HN 0.485 nan 8.360 nan 0.000 0.491 534 F N 0.450 120.386 119.950 -0.023 0.000 2.192 534 F HA -0.211 4.316 4.527 -0.001 0.000 0.301 534 F C 1.242 176.879 175.800 -0.272 0.000 1.079 534 F CA 1.314 59.194 58.000 -0.199 0.000 1.303 534 F CB -0.071 38.696 39.000 -0.390 0.000 1.024 534 F HN -0.089 nan 8.300 nan 0.000 0.494 535 F N 0.228 120.283 119.950 0.175 0.000 2.664 535 F HA 0.133 4.659 4.527 -0.001 0.000 0.301 535 F C 1.857 177.664 175.800 0.012 0.000 1.126 535 F CA 0.020 58.075 58.000 0.090 0.000 1.373 535 F CB -0.637 38.456 39.000 0.154 0.000 1.042 535 F HN 0.008 nan 8.300 nan 0.000 0.535 536 Q N -0.057 119.779 119.800 0.059 0.000 2.297 536 Q HA -0.002 4.337 4.340 -0.001 0.000 0.204 536 Q C 0.123 176.117 176.000 -0.009 0.000 0.962 536 Q CA 0.673 56.490 55.803 0.023 0.000 0.879 536 Q CB 0.183 28.910 28.738 -0.018 0.000 0.947 536 Q HN 0.285 nan 8.270 nan 0.000 0.462 537 N N -0.171 118.506 118.700 -0.037 0.000 2.284 537 N HA 0.132 4.872 4.740 -0.001 0.000 0.300 537 N C -1.367 174.229 175.510 0.143 0.000 1.047 537 N CA -0.163 52.902 53.050 0.025 0.000 0.821 537 N CB 2.019 40.458 38.487 -0.080 0.000 1.337 537 N HN -0.117 nan 8.380 nan 0.000 0.482 538 S N 1.212 116.989 115.700 0.127 0.000 2.549 538 S HA 0.133 4.603 4.470 -0.001 0.000 0.286 538 S C -0.138 174.507 174.600 0.076 0.000 1.314 538 S CA -0.388 57.869 58.200 0.095 0.000 1.062 538 S CB 0.014 63.234 63.200 0.034 0.000 0.865 538 S HN 0.357 nan 8.310 nan 0.000 0.498 539 L N 7.056 128.278 121.223 -0.002 0.000 2.275 539 L HA 0.561 4.901 4.340 -0.001 0.000 0.288 539 L C -0.898 175.917 176.870 -0.091 0.000 1.046 539 L CA -0.120 54.619 54.840 -0.169 0.000 0.805 539 L CB 1.319 43.326 42.059 -0.086 0.000 1.193 539 L HN 0.453 nan 8.230 nan 0.000 0.426 540 V N 4.359 124.207 119.914 -0.111 0.000 2.398 540 V HA 0.378 4.497 4.120 -0.001 0.000 0.286 540 V C 0.587 176.613 176.094 -0.113 0.000 1.026 540 V CA -0.563 61.718 62.300 -0.032 0.000 0.868 540 V CB 1.198 33.089 31.823 0.113 0.000 0.982 540 V HN 0.889 nan 8.190 nan 0.000 0.443 541 S N 2.338 117.930 115.700 -0.179 0.000 3.628 541 S HA -0.162 4.307 4.470 -0.001 0.000 0.373 541 S C 0.370 174.838 174.600 -0.221 0.000 0.968 541 S CA 0.545 58.564 58.200 -0.302 0.000 1.215 541 S CB -0.899 61.874 63.200 -0.710 0.000 0.912 541 S HN 1.438 nan 8.310 nan 0.000 0.495 542 A N 0.821 123.579 122.820 -0.103 0.000 2.293 542 A HA 0.753 5.072 4.320 -0.001 0.000 0.302 542 A C 0.905 178.468 177.584 -0.035 0.000 1.119 542 A CA 0.106 52.120 52.037 -0.038 0.000 0.823 542 A CB 0.523 19.535 19.000 0.020 0.000 1.097 542 A HN 0.994 nan 8.150 nan 0.000 0.491 543 G N -0.588 108.200 108.800 -0.021 0.000 2.441 543 G HA2 0.494 4.454 3.960 -0.001 0.000 0.243 543 G HA3 0.494 4.454 3.960 -0.001 0.000 0.243 543 G C -0.785 174.125 174.900 0.016 0.000 1.281 543 G CA 0.067 45.152 45.100 -0.025 0.000 0.854 543 G HN 1.255 nan 8.290 nan 0.000 0.560 544 L N 0.624 121.868 121.223 0.034 0.000 2.543 544 L HA 0.797 5.136 4.340 -0.001 0.000 0.265 544 L C -0.856 176.093 176.870 0.131 0.000 0.945 544 L CA -0.706 54.203 54.840 0.116 0.000 0.869 544 L CB 2.432 44.572 42.059 0.135 0.000 1.294 544 L HN 0.727 nan 8.230 nan 0.000 0.405 545 E N 3.745 124.061 120.200 0.194 0.000 2.412 545 E HA 0.616 4.965 4.350 -0.001 0.000 0.279 545 E C -2.219 174.611 176.600 0.383 0.000 0.984 545 E CA -0.454 56.091 56.400 0.242 0.000 0.788 545 E CB 1.722 31.506 29.700 0.141 0.000 1.277 545 E HN 0.457 nan 8.360 nan 0.000 0.455 546 F N 2.012 122.083 119.950 0.202 0.000 2.540 546 F HA 0.473 5.000 4.527 -0.000 0.000 0.317 546 F C -1.311 174.446 175.800 -0.072 0.000 1.104 546 F CA -0.761 57.278 58.000 0.064 0.000 0.913 546 F CB 1.867 40.884 39.000 0.028 0.000 1.170 546 F HN 0.509 nan 8.300 nan 0.000 0.450 547 D N 6.960 126.850 120.400 -0.849 0.000 2.414 547 D HA 0.432 5.072 4.640 -0.001 0.000 0.232 547 D C -2.234 173.763 176.300 -0.504 0.000 1.070 547 D CA -2.482 51.045 54.000 -0.788 0.000 0.839 547 D CB 2.205 42.133 40.800 -1.452 0.000 1.079 547 D HN 0.138 nan 8.370 nan 0.000 0.521 548 P HA -0.110 nan 4.420 nan 0.000 0.219 548 P C 1.417 178.690 177.300 -0.045 0.000 1.150 548 P CA 0.338 63.484 63.100 0.076 0.000 0.814 548 P CB 0.358 32.114 31.700 0.093 0.000 0.787 549 V N 0.640 120.476 119.914 -0.131 0.000 2.244 549 V HA -0.207 3.912 4.120 -0.001 0.000 0.244 549 V C 2.361 178.372 176.094 -0.137 0.000 1.042 549 V CA 2.668 64.899 62.300 -0.115 0.000 1.006 549 V CB -1.615 30.136 31.823 -0.120 0.000 0.641 549 V HN 0.272 nan 8.190 nan 0.000 0.446 550 S N -1.140 114.423 115.700 -0.229 0.000 2.593 550 S HA 0.022 4.492 4.470 -0.001 0.000 0.217 550 S C 0.726 175.189 174.600 -0.227 0.000 0.966 550 S CA -0.012 58.063 58.200 -0.209 0.000 0.914 550 S CB -0.416 62.644 63.200 -0.232 0.000 0.776 550 S HN 0.647 nan 8.310 nan 0.000 0.523 551 K N 0.785 121.027 120.400 -0.264 0.000 3.244 551 K HA -0.183 4.137 4.320 -0.001 0.000 0.270 551 K C -0.651 175.733 176.600 -0.360 0.000 1.016 551 K CA 0.645 56.822 56.287 -0.184 0.000 0.754 551 K CB -1.994 30.508 32.500 0.003 0.000 1.326 551 K HN 0.667 nan 8.250 nan 0.000 0.465 552 Q N -1.180 118.094 119.800 -0.876 0.000 2.482 552 Q HA 0.631 4.971 4.340 -0.001 0.000 0.286 552 Q C -0.255 174.971 176.000 -1.290 0.000 1.007 552 Q CA -0.724 54.600 55.803 -0.797 0.000 0.801 552 Q CB 2.731 31.216 28.738 -0.421 0.000 1.455 552 Q HN 0.320 nan 8.270 nan 0.000 0.398 553 G N 0.498 108.593 108.800 -1.175 0.000 2.730 553 G HA2 0.852 4.812 3.960 -0.001 0.000 0.289 553 G HA3 0.852 4.812 3.960 -0.001 0.000 0.289 553 G C -1.294 173.281 174.900 -0.542 0.000 1.341 553 G CA -0.498 44.063 45.100 -0.900 0.000 0.932 553 G HN 0.434 nan 8.290 nan 0.000 0.481 554 I N -0.008 120.559 120.570 -0.004 0.000 2.647 554 I HA 0.410 4.580 4.170 -0.001 0.000 0.295 554 I C -0.815 175.458 176.117 0.259 0.000 1.078 554 I CA -0.690 60.672 61.300 0.102 0.000 1.048 554 I CB 2.611 40.549 38.000 -0.104 0.000 1.239 554 I HN 0.191 nan 8.210 nan 0.000 0.421 555 I N 6.136 126.845 120.570 0.231 0.000 2.354 555 I HA 0.378 4.548 4.170 -0.001 0.000 0.292 555 I C -0.961 175.156 176.117 -0.000 0.000 0.989 555 I CA -0.670 60.714 61.300 0.139 0.000 1.188 555 I CB 1.777 39.869 38.000 0.153 0.000 1.342 555 I HN 0.242 nan 8.210 nan 0.000 0.457 556 L N 6.662 127.873 121.223 -0.019 0.000 2.376 556 L HA 0.640 4.980 4.340 -0.001 0.000 0.275 556 L C 0.484 177.364 176.870 0.018 0.000 0.987 556 L CA 0.400 55.192 54.840 -0.080 0.000 0.828 556 L CB 0.688 42.656 42.059 -0.152 0.000 1.249 556 L HN 0.900 nan 8.230 nan 0.000 0.409 557 G N 3.990 112.841 108.800 0.084 0.000 2.566 557 G HA2 0.140 4.100 3.960 -0.001 0.000 0.280 557 G HA3 0.140 4.100 3.960 -0.001 0.000 0.280 557 G C 0.310 175.278 174.900 0.113 0.000 1.225 557 G CA 0.012 45.205 45.100 0.155 0.000 0.966 557 G HN 2.152 nan 8.290 nan 0.000 0.560 558 G N -2.231 106.625 108.800 0.092 0.000 2.770 558 G HA2 0.589 4.548 3.960 -0.001 0.000 0.686 558 G HA3 0.589 4.548 3.960 -0.001 0.000 0.686 558 G C 0.415 175.286 174.900 -0.048 0.000 1.180 558 G CA 0.586 45.682 45.100 -0.006 0.000 0.767 558 G HN 2.441 nan 8.290 nan 0.000 0.646 559 G N -0.475 108.384 108.800 0.098 0.000 2.511 559 G HA2 0.867 4.827 3.960 -0.001 0.000 0.316 559 G HA3 0.867 4.827 3.960 -0.001 0.000 0.316 559 G C -0.482 174.232 174.900 -0.312 0.000 1.210 559 G CA -0.933 44.223 45.100 0.093 0.000 0.969 559 G HN 0.688 nan 8.290 nan 0.000 0.492 560 F N -1.233 118.825 119.950 0.180 0.000 2.557 560 F HA 0.409 4.935 4.527 -0.001 0.000 0.336 560 F C 1.638 177.500 175.800 0.104 0.000 1.058 560 F CA -0.816 57.242 58.000 0.096 0.000 0.988 560 F CB 2.053 41.076 39.000 0.039 0.000 1.275 560 F HN 0.233 nan 8.300 nan 0.000 0.488 561 M N 0.761 120.521 119.600 0.266 0.000 2.686 561 M HA -0.082 4.398 4.480 -0.001 0.000 0.246 561 M C 1.033 177.421 176.300 0.148 0.000 1.096 561 M CA 0.559 55.953 55.300 0.158 0.000 1.076 561 M CB -0.443 32.213 32.600 0.092 0.000 1.504 561 M HN 0.565 nan 8.290 nan 0.000 0.524 562 D N -0.217 120.290 120.400 0.178 0.000 2.363 562 D HA -0.150 4.490 4.640 -0.001 0.000 0.226 562 D C 0.357 176.785 176.300 0.213 0.000 1.020 562 D CA 0.374 54.457 54.000 0.140 0.000 0.892 562 D CB -0.352 40.507 40.800 0.098 0.000 0.900 562 D HN 0.408 nan 8.370 nan 0.000 0.531 563 Q N -1.311 118.642 119.800 0.255 0.000 2.461 563 Q HA -0.215 4.125 4.340 -0.001 0.000 0.264 563 Q C 0.106 176.415 176.000 0.516 0.000 1.085 563 Q CA 1.258 57.240 55.803 0.299 0.000 1.006 563 Q CB -2.283 26.605 28.738 0.251 0.000 1.437 563 Q HN 0.421 nan 8.270 nan 0.000 0.514 564 T N -2.666 112.179 114.554 0.486 0.000 3.313 564 T HA 0.043 4.393 4.350 -0.001 0.000 0.266 564 T C 0.471 175.490 174.700 0.531 0.000 0.987 564 T CA 0.681 63.137 62.100 0.593 0.000 1.086 564 T CB 0.607 69.659 68.868 0.306 0.000 1.159 564 T HN 0.168 nan 8.240 nan 0.000 0.450 565 T N 3.055 117.857 114.554 0.414 0.000 2.869 565 T HA 0.601 4.951 4.350 -0.001 0.000 0.295 565 T C -0.579 174.415 174.700 0.490 0.000 0.987 565 T CA -0.228 62.126 62.100 0.423 0.000 1.109 565 T CB 1.419 70.508 68.868 0.368 0.000 0.932 565 T HN -0.021 nan 8.240 nan 0.000 0.518 566 V N 2.569 122.730 119.914 0.411 0.000 2.588 566 V HA 0.433 4.552 4.120 -0.001 0.000 0.304 566 V C 0.333 176.637 176.094 0.350 0.000 1.042 566 V CA -1.002 61.500 62.300 0.336 0.000 0.877 566 V CB 2.032 34.030 31.823 0.290 0.000 0.996 566 V HN 0.973 nan 8.190 nan 0.000 0.425 567 S N 2.388 118.282 115.700 0.324 0.000 2.562 567 S HA 0.101 4.570 4.470 -0.001 0.000 0.281 567 S C 0.542 175.336 174.600 0.323 0.000 1.333 567 S CA -0.044 58.391 58.200 0.392 0.000 1.052 567 S CB 0.437 63.890 63.200 0.422 0.000 0.884 567 S HN 0.948 nan 8.310 nan 0.000 0.506 568 D N 2.611 123.201 120.400 0.317 0.000 2.525 568 D HA 0.226 4.865 4.640 -0.001 0.000 0.229 568 D C -0.333 176.192 176.300 0.374 0.000 1.202 568 D CA -0.364 53.823 54.000 0.312 0.000 0.828 568 D CB 0.095 41.028 40.800 0.223 0.000 1.008 568 D HN 0.154 nan 8.370 nan 0.000 0.493 569 K N 0.571 121.167 120.400 0.326 0.000 2.156 569 K HA 0.726 5.045 4.320 -0.001 0.000 0.254 569 K C -0.448 176.211 176.600 0.098 0.000 0.950 569 K CA -0.888 55.545 56.287 0.245 0.000 0.849 569 K CB 2.210 34.773 32.500 0.104 0.000 1.100 569 K HN 0.111 nan 8.250 nan 0.000 0.434 570 A N 3.715 126.533 122.820 -0.003 0.000 2.271 570 A HA 0.592 4.911 4.320 -0.001 0.000 0.317 570 A C -0.280 177.235 177.584 -0.116 0.000 1.245 570 A CA -0.700 51.195 52.037 -0.237 0.000 0.857 570 A CB -0.013 18.640 19.000 -0.580 0.000 1.175 570 A HN 0.681 nan 8.150 nan 0.000 0.512 571 I N 3.450 123.954 120.570 -0.110 0.000 2.339 571 I HA 0.269 4.439 4.170 -0.001 0.000 0.290 571 I C -0.921 175.255 176.117 0.099 0.000 0.994 571 I CA -0.544 60.719 61.300 -0.061 0.000 1.191 571 I CB 1.469 39.338 38.000 -0.218 0.000 1.343 571 I HN 0.450 nan 8.210 nan 0.000 0.458 572 I N 7.834 128.458 120.570 0.090 0.000 2.331 572 I HA 0.350 4.520 4.170 -0.001 0.000 0.292 572 I C -0.209 176.027 176.117 0.199 0.000 0.998 572 I CA -0.102 61.247 61.300 0.081 0.000 1.267 572 I CB 0.537 38.544 38.000 0.012 0.000 1.386 572 I HN 0.340 nan 8.210 nan 0.000 0.476 573 F N 4.691 124.694 119.950 0.089 0.000 2.629 573 F HA 0.879 5.406 4.527 -0.001 0.000 0.316 573 F C -0.862 175.038 175.800 0.168 0.000 1.081 573 F CA -1.157 56.923 58.000 0.134 0.000 0.954 573 F CB 1.422 40.525 39.000 0.171 0.000 1.337 573 F HN 0.404 nan 8.300 nan 0.000 0.474 574 K N 0.682 121.290 120.400 0.346 0.000 2.400 574 K HA 0.581 4.901 4.320 -0.001 0.000 0.246 574 K C -2.349 174.562 176.600 0.518 0.000 0.995 574 K CA -0.954 55.520 56.287 0.311 0.000 0.840 574 K CB 2.568 35.166 32.500 0.162 0.000 1.293 574 K HN 0.833 nan 8.250 nan 0.000 0.445 575 Y N 1.262 121.769 120.300 0.346 0.000 2.326 575 Y HA 0.279 4.828 4.550 -0.001 0.000 0.331 575 Y C -1.600 174.371 175.900 0.119 0.000 0.962 575 Y CA -1.289 56.939 58.100 0.213 0.000 1.167 575 Y CB 1.640 40.141 38.460 0.068 0.000 1.148 575 Y HN 0.791 nan 8.280 nan 0.000 0.463 576 D N 4.942 125.151 120.400 -0.318 0.000 2.473 576 D HA 0.380 5.020 4.640 -0.001 0.000 0.226 576 D C 0.752 176.634 176.300 -0.696 0.000 1.089 576 D CA 0.220 53.976 54.000 -0.406 0.000 0.883 576 D CB 1.386 42.090 40.800 -0.160 0.000 1.029 576 D HN 0.751 nan 8.370 nan 0.000 0.517 577 A N 4.099 126.368 122.820 -0.919 0.000 2.032 577 A HA -0.163 4.157 4.320 -0.001 0.000 0.221 577 A C 1.657 179.073 177.584 -0.279 0.000 1.165 577 A CA 1.175 52.810 52.037 -0.670 0.000 0.645 577 A CB -0.107 18.686 19.000 -0.345 0.000 0.807 577 A HN 0.512 nan 8.150 nan 0.000 0.453 578 E N 0.032 120.103 120.200 -0.215 0.000 2.478 578 E HA -0.003 4.347 4.350 -0.001 0.000 0.194 578 E C 0.037 176.582 176.600 -0.092 0.000 1.045 578 E CA -0.086 56.244 56.400 -0.118 0.000 0.868 578 E CB -0.232 29.415 29.700 -0.088 0.000 0.885 578 E HN 0.517 nan 8.360 nan 0.000 0.505 579 N N 0.909 119.543 118.700 -0.111 0.000 2.420 579 N HA 0.152 4.892 4.740 -0.001 0.000 0.249 579 N C 0.414 175.899 175.510 -0.042 0.000 1.033 579 N CA 0.055 53.067 53.050 -0.063 0.000 0.944 579 N CB 1.379 39.835 38.487 -0.051 0.000 1.113 579 N HN -0.104 nan 8.380 nan 0.000 0.502 580 A N 2.597 125.402 122.820 -0.025 0.000 2.016 580 A HA -0.073 4.247 4.320 -0.001 0.000 0.217 580 A C 1.735 179.320 177.584 0.003 0.000 1.162 580 A CA 1.825 53.855 52.037 -0.011 0.000 0.662 580 A CB -0.269 18.724 19.000 -0.012 0.000 0.812 580 A HN 0.739 nan 8.150 nan 0.000 0.450 581 T N -3.574 110.981 114.554 0.003 0.000 3.042 581 T HA 0.183 4.532 4.350 -0.001 0.000 0.245 581 T C 0.789 175.496 174.700 0.013 0.000 1.029 581 T CA 0.734 62.840 62.100 0.009 0.000 1.120 581 T CB 0.032 68.905 68.868 0.008 0.000 0.917 581 T HN 0.376 nan 8.240 nan 0.000 0.467 582 E N 2.341 122.548 120.200 0.012 0.000 3.651 582 E HA 0.249 4.598 4.350 -0.001 0.000 0.220 582 E C -2.045 174.571 176.600 0.026 0.000 1.222 582 E CA -1.987 54.423 56.400 0.017 0.000 1.114 582 E CB 1.364 31.075 29.700 0.018 0.000 1.278 582 E HN 0.213 nan 8.360 nan 0.000 0.412 583 P HA 0.024 nan 4.420 nan 0.000 0.227 583 P C 0.402 177.796 177.300 0.156 0.000 1.161 583 P CA 0.330 63.465 63.100 0.057 0.000 0.788 583 P CB 0.577 32.352 31.700 0.124 0.000 0.822 584 I N 1.228 121.882 120.570 0.140 0.000 2.354 584 I HA 0.246 4.416 4.170 -0.001 0.000 0.292 584 I C 0.505 176.687 176.117 0.107 0.000 0.989 584 I CA -0.281 61.117 61.300 0.164 0.000 1.188 584 I CB 1.286 39.294 38.000 0.014 0.000 1.342 584 I HN -0.072 nan 8.210 nan 0.000 0.457 585 T N 2.881 117.548 114.554 0.188 0.000 2.900 585 T HA 0.657 5.006 4.350 -0.001 0.000 0.295 585 T C -0.440 174.399 174.700 0.231 0.000 1.044 585 T CA -0.725 61.471 62.100 0.159 0.000 0.995 585 T CB 2.099 71.044 68.868 0.128 0.000 1.072 585 T HN 0.128 nan 8.240 nan 0.000 0.473 586 V N 3.621 123.661 119.914 0.210 0.000 2.461 586 V HA 0.291 4.410 4.120 -0.001 0.000 0.275 586 V C 1.134 177.327 176.094 0.166 0.000 1.047 586 V CA -0.372 62.068 62.300 0.233 0.000 0.955 586 V CB 0.590 32.553 31.823 0.233 0.000 0.988 586 V HN 0.911 nan 8.190 nan 0.000 0.471 587 I N 2.964 123.625 120.570 0.152 0.000 2.731 587 I HA 0.197 4.367 4.170 -0.001 0.000 0.260 587 I C 0.926 177.089 176.117 0.078 0.000 1.138 587 I CA 0.690 62.048 61.300 0.098 0.000 1.461 587 I CB 0.252 38.295 38.000 0.071 0.000 1.128 587 I HN 0.561 nan 8.210 nan 0.000 0.438 588 K N 0.824 121.271 120.400 0.078 0.000 2.598 588 K HA 0.360 4.680 4.320 -0.001 0.000 0.271 588 K C -1.633 174.995 176.600 0.047 0.000 0.947 588 K CA -0.658 55.664 56.287 0.059 0.000 0.854 588 K CB 1.789 34.318 32.500 0.048 0.000 1.401 588 K HN -0.186 nan 8.250 nan 0.000 0.415 589 K N 3.712 124.138 120.400 0.044 0.000 2.376 589 K HA 0.478 4.798 4.320 -0.001 0.000 0.257 589 K C -0.960 175.687 176.600 0.079 0.000 0.939 589 K CA -0.715 55.591 56.287 0.031 0.000 0.809 589 K CB 1.531 34.037 32.500 0.010 0.000 1.121 589 K HN 0.347 nan 8.250 nan 0.000 0.425 590 L N 2.380 123.673 121.223 0.116 0.000 2.325 590 L HA 0.433 4.773 4.340 -0.001 0.000 0.278 590 L C -0.323 176.748 176.870 0.335 0.000 1.023 590 L CA -0.792 54.182 54.840 0.223 0.000 0.811 590 L CB 1.737 43.970 42.059 0.291 0.000 1.249 590 L HN 0.571 nan 8.230 nan 0.000 0.431 591 Q N 2.376 122.342 119.800 0.277 0.000 2.340 591 Q HA 0.473 4.813 4.340 -0.001 0.000 0.268 591 Q C -1.665 174.381 176.000 0.077 0.000 1.031 591 Q CA -0.669 55.273 55.803 0.231 0.000 0.804 591 Q CB 1.965 30.784 28.738 0.135 0.000 1.286 591 Q HN 0.688 nan 8.270 nan 0.000 0.448 592 H N 2.694 121.643 119.070 -0.202 0.000 3.085 592 H HA 0.272 4.827 4.556 -0.001 0.000 0.356 592 H C -2.365 172.795 175.328 -0.281 0.000 1.178 592 H CA -1.512 54.243 56.048 -0.488 0.000 1.214 592 H CB 2.172 31.188 29.762 -1.243 0.000 1.881 592 H HN 0.437 nan 8.280 nan 0.000 0.538 593 P HA -0.106 nan 4.420 nan 0.000 0.218 593 P C 1.053 178.448 177.300 0.158 0.000 1.148 593 P CA 1.151 64.210 63.100 -0.068 0.000 0.822 593 P CB 0.302 31.902 31.700 -0.168 0.000 0.784 594 L N -2.649 118.790 121.223 0.359 0.000 2.610 594 L HA 0.051 4.391 4.340 -0.001 0.000 0.232 594 L C 1.678 178.810 176.870 0.437 0.000 1.149 594 L CA 0.538 55.607 54.840 0.382 0.000 0.872 594 L CB -0.660 41.552 42.059 0.256 0.000 0.992 594 L HN 0.003 nan 8.230 nan 0.000 0.447 595 F N -0.754 119.352 119.950 0.261 0.000 2.776 595 F HA 0.035 4.561 4.527 -0.001 0.000 0.300 595 F C 1.620 177.542 175.800 0.203 0.000 1.116 595 F CA -0.306 57.801 58.000 0.178 0.000 1.375 595 F CB 0.326 39.417 39.000 0.152 0.000 1.109 595 F HN 0.099 nan 8.300 nan 0.000 0.585 596 Q N 3.052 123.093 119.800 0.403 0.000 3.027 596 Q HA 0.119 4.458 4.340 -0.001 0.000 0.260 596 Q C -0.568 175.644 176.000 0.354 0.000 1.379 596 Q CA -0.270 55.725 55.803 0.319 0.000 1.038 596 Q CB 0.004 28.875 28.738 0.222 0.000 1.578 596 Q HN 0.394 nan 8.270 nan 0.000 0.571 597 R N 1.146 121.860 120.500 0.357 0.000 2.686 597 R HA 0.370 4.710 4.340 -0.001 0.000 0.286 597 R C -1.539 174.974 176.300 0.354 0.000 0.969 597 R CA -0.956 55.380 56.100 0.393 0.000 0.898 597 R CB 1.117 31.628 30.300 0.352 0.000 1.183 597 R HN 0.209 nan 8.270 nan 0.000 0.456 598 Y N 0.993 121.458 120.300 0.275 0.000 2.335 598 Y HA 0.430 4.980 4.550 -0.001 0.000 0.338 598 Y C 0.876 176.923 175.900 0.244 0.000 0.977 598 Y CA 0.510 58.757 58.100 0.244 0.000 1.114 598 Y CB 1.732 40.386 38.460 0.325 0.000 1.182 598 Y HN 1.029 nan 8.280 nan 0.000 0.463 599 G N 3.328 111.967 108.800 -0.268 0.000 2.147 599 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.244 599 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.244 599 G C 0.044 174.947 174.900 0.004 0.000 1.005 599 G CA 0.359 45.372 45.100 -0.146 0.000 0.713 599 G HN 1.100 nan 8.290 nan 0.000 0.515 600 S N -0.931 114.791 115.700 0.038 0.000 2.655 600 S HA 0.785 5.255 4.470 -0.001 0.000 0.265 600 S C -0.072 174.508 174.600 -0.033 0.000 1.240 600 S CA -0.246 58.017 58.200 0.105 0.000 0.986 600 S CB 1.982 65.235 63.200 0.088 0.000 0.985 600 S HN 0.416 nan 8.310 nan 0.000 0.562 601 Q N 0.379 120.215 119.800 0.060 0.000 2.423 601 Q HA 0.602 4.942 4.340 -0.001 0.000 0.278 601 Q C -0.538 175.477 176.000 0.024 0.000 1.097 601 Q CA -0.603 55.178 55.803 -0.037 0.000 0.809 601 Q CB 2.103 30.768 28.738 -0.122 0.000 1.391 601 Q HN 0.911 nan 8.270 nan 0.000 0.428 602 I N -2.532 118.021 120.570 -0.029 0.000 2.785 602 I HA 0.750 4.919 4.170 -0.001 0.000 0.302 602 I C -1.045 175.029 176.117 -0.072 0.000 1.069 602 I CA -0.921 60.335 61.300 -0.073 0.000 1.045 602 I CB 2.783 40.698 38.000 -0.142 0.000 1.236 602 I HN 0.329 nan 8.210 nan 0.000 0.429 603 K N 3.385 123.717 120.400 -0.113 0.000 2.543 603 K HA 0.417 4.737 4.320 -0.001 0.000 0.255 603 K C -1.929 174.599 176.600 -0.121 0.000 0.934 603 K CA -0.648 55.599 56.287 -0.066 0.000 0.810 603 K CB 2.214 34.713 32.500 -0.002 0.000 1.315 603 K HN 0.606 nan 8.250 nan 0.000 0.433 604 Y N 4.143 124.408 120.300 -0.057 0.000 2.537 604 Y HA 0.034 4.584 4.550 -0.001 0.000 0.339 604 Y C 1.406 177.253 175.900 -0.089 0.000 1.066 604 Y CA 0.173 58.225 58.100 -0.081 0.000 1.357 604 Y CB 0.264 38.677 38.460 -0.078 0.000 1.175 604 Y HN 0.519 nan 8.280 nan 0.000 0.525 605 I N 1.117 121.677 120.570 -0.017 0.000 2.406 605 I HA -0.090 4.080 4.170 -0.001 0.000 0.249 605 I C 0.721 176.826 176.117 -0.019 0.000 1.122 605 I CA 1.045 62.277 61.300 -0.112 0.000 1.431 605 I CB -0.037 37.736 38.000 -0.378 0.000 1.087 605 I HN 0.481 nan 8.210 nan 0.000 0.424 606 T N -0.713 113.865 114.554 0.040 0.000 2.853 606 T HA 0.250 4.600 4.350 -0.001 0.000 0.311 606 T C -2.198 172.556 174.700 0.091 0.000 1.307 606 T CA -0.778 61.356 62.100 0.056 0.000 1.019 606 T CB 2.126 71.030 68.868 0.060 0.000 1.264 606 T HN -0.309 nan 8.240 nan 0.000 0.497 607 P HA 0.009 nan 4.420 nan 0.000 0.221 607 P C 0.976 178.302 177.300 0.043 0.000 1.145 607 P CA 0.851 63.913 63.100 -0.063 0.000 0.795 607 P CB 0.276 31.914 31.700 -0.104 0.000 0.775 608 R N -1.250 119.287 120.500 0.060 0.000 2.509 608 R HA 0.255 4.595 4.340 -0.001 0.000 0.300 608 R C 0.260 176.593 176.300 0.055 0.000 0.985 608 R CA -0.001 56.132 56.100 0.056 0.000 1.092 608 R CB 0.477 30.797 30.300 0.033 0.000 1.237 608 R HN 0.162 nan 8.270 nan 0.000 0.546 609 K N 1.064 121.504 120.400 0.066 0.000 2.668 609 K HA 0.254 4.573 4.320 -0.001 0.000 0.246 609 K C -1.655 174.905 176.600 -0.067 0.000 0.976 609 K CA -0.542 55.742 56.287 -0.006 0.000 0.902 609 K CB 1.156 33.644 32.500 -0.020 0.000 1.172 609 K HN -0.102 nan 8.250 nan 0.000 0.452 610 L N 5.249 126.380 121.223 -0.153 0.000 2.282 610 L HA 0.469 4.809 4.340 -0.001 0.000 0.288 610 L C -1.145 175.593 176.870 -0.220 0.000 1.033 610 L CA -0.721 53.937 54.840 -0.303 0.000 0.807 610 L CB 1.046 42.821 42.059 -0.472 0.000 1.209 610 L HN 0.616 nan 8.230 nan 0.000 0.423 611 L N 6.396 127.495 121.223 -0.207 0.000 2.326 611 L HA 0.526 4.866 4.340 -0.001 0.000 0.278 611 L C -0.790 176.001 176.870 -0.132 0.000 1.092 611 L CA 0.402 55.149 54.840 -0.155 0.000 0.810 611 L CB 0.700 42.674 42.059 -0.142 0.000 1.153 611 L HN 0.563 nan 8.230 nan 0.000 0.439 612 I N 5.792 126.302 120.570 -0.101 0.000 2.410 612 I HA 0.394 4.564 4.170 -0.001 0.000 0.286 612 I C -1.069 175.010 176.117 -0.064 0.000 1.009 612 I CA -0.660 60.592 61.300 -0.080 0.000 1.111 612 I CB 1.796 39.750 38.000 -0.075 0.000 1.262 612 I HN 0.245 nan 8.210 nan 0.000 0.443 613 V N 5.629 125.539 119.914 -0.006 0.000 2.487 613 V HA 0.811 4.930 4.120 -0.001 0.000 0.298 613 V C 0.723 176.846 176.094 0.047 0.000 1.028 613 V CA -0.150 62.138 62.300 -0.020 0.000 0.860 613 V CB 0.965 32.803 31.823 0.025 0.000 0.991 613 V HN 1.066 nan 8.190 nan 0.000 0.427 614 G N 3.702 112.414 108.800 -0.148 0.000 2.552 614 G HA2 0.326 4.285 3.960 -0.001 0.000 0.265 614 G HA3 0.326 4.285 3.960 -0.001 0.000 0.265 614 G C 0.611 175.548 174.900 0.063 0.000 1.234 614 G CA -0.064 44.978 45.100 -0.096 0.000 0.944 614 G HN 2.587 nan 8.290 nan 0.000 0.568 615 G N -3.124 105.857 108.800 0.300 0.000 2.796 615 G HA2 0.473 4.433 3.960 -0.001 0.000 0.571 615 G HA3 0.473 4.433 3.960 -0.001 0.000 0.571 615 G C 0.281 175.464 174.900 0.472 0.000 1.370 615 G CA 0.879 46.192 45.100 0.355 0.000 0.856 615 G HN 2.990 nan 8.290 nan 0.000 0.538 616 T N -2.885 112.012 114.554 0.571 0.000 2.926 616 T HA 0.849 5.199 4.350 -0.001 0.000 0.289 616 T C -0.025 174.938 174.700 0.438 0.000 1.054 616 T CA 0.323 62.768 62.100 0.575 0.000 1.015 616 T CB 2.018 71.224 68.868 0.563 0.000 1.167 616 T HN 2.170 nan 8.240 nan 0.000 0.526 617 S N 0.329 116.041 115.700 0.021 0.000 2.549 617 S HA 0.608 5.078 4.470 -0.001 0.000 0.280 617 S C -2.307 171.946 174.600 -0.578 0.000 1.109 617 S CA -1.794 56.275 58.200 -0.220 0.000 0.905 617 S CB 1.757 64.735 63.200 -0.371 0.000 1.081 617 S HN 0.531 nan 8.310 nan 0.000 0.477 618 P HA 0.057 nan 4.420 nan 0.000 0.236 618 P C 1.075 178.306 177.300 -0.115 0.000 1.177 618 P CA 0.613 63.317 63.100 -0.659 0.000 0.773 618 P CB -0.063 31.532 31.700 -0.174 0.000 0.878 619 S N -2.003 113.603 115.700 -0.157 0.000 2.503 619 S HA 0.444 4.913 4.470 -0.001 0.000 0.217 619 S C 0.993 175.369 174.600 -0.374 0.000 0.999 619 S CA 0.500 58.614 58.200 -0.143 0.000 0.914 619 S CB -0.384 62.747 63.200 -0.115 0.000 0.782 619 S HN 0.287 nan 8.310 nan 0.000 0.520 620 G N 0.144 108.494 108.800 -0.749 0.000 2.324 620 G HA2 0.374 4.334 3.960 -0.001 0.000 0.293 620 G HA3 0.374 4.334 3.960 -0.001 0.000 0.293 620 G C -1.898 172.441 174.900 -0.935 0.000 1.297 620 G CA -1.109 43.373 45.100 -1.030 0.000 0.853 620 G HN 0.269 nan 8.290 nan 0.000 0.535 621 L N 0.437 121.281 121.223 -0.632 0.000 2.312 621 L HA 0.533 4.872 4.340 -0.001 0.000 0.281 621 L C -0.001 176.705 176.870 -0.274 0.000 1.070 621 L CA -0.616 54.032 54.840 -0.321 0.000 0.805 621 L CB 0.912 42.900 42.059 -0.118 0.000 1.174 621 L HN 0.432 nan 8.230 nan 0.000 0.434 622 F N 1.282 121.268 119.950 0.061 0.000 2.450 622 F HA 0.140 4.666 4.527 -0.001 0.000 0.339 622 F C 0.641 176.519 175.800 0.130 0.000 1.146 622 F CA -0.174 57.873 58.000 0.078 0.000 1.267 622 F CB 0.778 39.842 39.000 0.105 0.000 1.178 622 F HN 0.589 nan 8.300 nan 0.000 0.585 623 D N -0.314 120.222 120.400 0.227 0.000 2.784 623 D HA 0.340 4.980 4.640 -0.001 0.000 0.256 623 D C 0.666 176.773 176.300 -0.323 0.000 1.129 623 D CA -0.717 53.242 54.000 -0.069 0.000 1.102 623 D CB 0.395 41.100 40.800 -0.158 0.000 1.330 623 D HN 0.297 nan 8.370 nan 0.000 0.626 624 R N -1.190 118.821 120.500 -0.814 0.000 2.127 624 R HA -0.065 4.275 4.340 -0.001 0.000 0.238 624 R C 1.794 177.947 176.300 -0.244 0.000 1.134 624 R CA 2.110 57.839 56.100 -0.618 0.000 0.975 624 R CB -0.516 29.355 30.300 -0.716 0.000 0.865 624 R HN 0.740 nan 8.270 nan 0.000 0.447 625 T N -1.684 112.761 114.554 -0.182 0.000 3.051 625 T HA 0.011 4.360 4.350 -0.001 0.000 0.255 625 T C 0.992 175.673 174.700 -0.032 0.000 1.085 625 T CA 0.733 62.778 62.100 -0.091 0.000 1.109 625 T CB 0.091 68.913 68.868 -0.077 0.000 0.921 625 T HN 0.279 nan 8.240 nan 0.000 0.488 626 N N -0.224 118.483 118.700 0.012 0.000 2.143 626 N HA 0.261 5.000 4.740 -0.001 0.000 0.229 626 N C 1.174 176.685 175.510 0.001 0.000 1.294 626 N CA -0.073 53.015 53.050 0.063 0.000 0.883 626 N CB -0.166 38.427 38.487 0.177 0.000 1.148 626 N HN 0.178 nan 8.380 nan 0.000 0.511 627 S N 0.403 116.098 115.700 -0.009 0.000 2.382 627 S HA 0.136 4.606 4.470 -0.001 0.000 0.228 627 S C 0.580 175.058 174.600 -0.205 0.000 1.027 627 S CA 0.667 58.789 58.200 -0.131 0.000 0.991 627 S CB -0.097 63.130 63.200 0.045 0.000 0.823 627 S HN 0.384 nan 8.310 nan 0.000 0.469 628 I N 1.826 122.327 120.570 -0.115 0.000 2.468 628 I HA 0.475 4.645 4.170 -0.001 0.000 0.285 628 I C -0.510 175.565 176.117 -0.071 0.000 1.039 628 I CA -0.570 60.668 61.300 -0.103 0.000 1.074 628 I CB 1.638 39.589 38.000 -0.082 0.000 1.228 628 I HN 0.147 nan 8.210 nan 0.000 0.436 629 I N 2.554 123.084 120.570 -0.068 0.000 3.322 629 I HA 0.845 5.014 4.170 -0.001 0.000 0.313 629 I C -0.581 175.508 176.117 -0.046 0.000 1.129 629 I CA -0.684 60.590 61.300 -0.042 0.000 0.963 629 I CB 2.477 40.462 38.000 -0.024 0.000 1.273 629 I HN 0.516 nan 8.210 nan 0.000 0.473 630 S N 2.188 117.867 115.700 -0.034 0.000 2.541 630 S HA 0.775 5.245 4.470 -0.001 0.000 0.280 630 S C -1.276 173.309 174.600 -0.026 0.000 1.112 630 S CA -0.670 57.501 58.200 -0.049 0.000 0.925 630 S CB 2.047 65.216 63.200 -0.053 0.000 1.067 630 S HN 0.877 nan 8.310 nan 0.000 0.479 631 L N 2.125 123.320 121.223 -0.046 0.000 2.362 631 L HA 0.680 5.019 4.340 -0.001 0.000 0.275 631 L C -1.278 175.573 176.870 -0.030 0.000 0.998 631 L CA -0.222 54.607 54.840 -0.018 0.000 0.820 631 L CB 1.840 43.871 42.059 -0.047 0.000 1.270 631 L HN 0.887 nan 8.230 nan 0.000 0.415 632 D N 6.684 127.086 120.400 0.003 0.000 2.396 632 D HA 0.354 4.994 4.640 -0.001 0.000 0.225 632 D C -1.959 174.351 176.300 0.017 0.000 1.121 632 D CA -2.137 51.870 54.000 0.011 0.000 0.853 632 D CB 1.838 42.651 40.800 0.022 0.000 1.043 632 D HN 0.401 nan 8.370 nan 0.000 0.500 633 P HA -0.115 nan 4.420 nan 0.000 0.223 633 P C 1.565 178.877 177.300 0.020 0.000 1.151 633 P CA 0.055 63.159 63.100 0.007 0.000 0.787 633 P CB 0.691 32.388 31.700 -0.006 0.000 0.788 634 L N 0.889 122.124 121.223 0.019 0.000 2.049 634 L HA -0.032 4.307 4.340 -0.001 0.000 0.203 634 L C 2.088 178.973 176.870 0.024 0.000 1.074 634 L CA 2.749 57.599 54.840 0.017 0.000 0.749 634 L CB -1.258 40.807 42.059 0.011 0.000 0.907 634 L HN 0.076 nan 8.230 nan 0.000 0.439 635 S N -1.321 114.394 115.700 0.025 0.000 2.558 635 S HA 0.000 4.470 4.470 -0.001 0.000 0.217 635 S C 0.593 175.214 174.600 0.035 0.000 0.975 635 S CA 0.247 58.463 58.200 0.027 0.000 0.912 635 S CB -0.185 63.029 63.200 0.023 0.000 0.776 635 S HN 0.545 nan 8.310 nan 0.000 0.526 636 E N 1.294 121.520 120.200 0.043 0.000 2.513 636 E HA -0.150 4.199 4.350 -0.001 0.000 0.257 636 E C -0.325 176.307 176.600 0.054 0.000 1.098 636 E CA 0.725 57.163 56.400 0.062 0.000 0.752 636 E CB -2.612 27.129 29.700 0.068 0.000 1.324 636 E HN 0.858 nan 8.360 nan 0.000 0.403 637 T N -1.710 112.868 114.554 0.040 0.000 2.943 637 T HA 0.762 5.111 4.350 -0.001 0.000 0.284 637 T C 0.167 174.878 174.700 0.018 0.000 1.015 637 T CA -0.895 61.220 62.100 0.026 0.000 1.042 637 T CB 2.009 70.890 68.868 0.022 0.000 1.055 637 T HN 0.170 nan 8.240 nan 0.000 0.500 638 L N 1.927 123.146 121.223 -0.006 0.000 2.408 638 L HA 0.660 4.999 4.340 -0.001 0.000 0.268 638 L C 0.086 176.943 176.870 -0.021 0.000 0.986 638 L CA -0.856 53.966 54.840 -0.029 0.000 0.820 638 L CB 2.592 44.579 42.059 -0.120 0.000 1.303 638 L HN 1.108 nan 8.230 nan 0.000 0.411 639 T N -1.491 113.055 114.554 -0.014 0.000 2.916 639 T HA 0.488 4.837 4.350 -0.001 0.000 0.292 639 T C -0.396 174.297 174.700 -0.012 0.000 1.055 639 T CA -0.748 61.348 62.100 -0.006 0.000 1.009 639 T CB 1.975 70.850 68.868 0.011 0.000 1.118 639 T HN 0.412 nan 8.240 nan 0.000 0.497 640 S N 0.572 116.266 115.700 -0.009 0.000 2.525 640 S HA 0.571 5.040 4.470 -0.001 0.000 0.278 640 S C -0.319 174.276 174.600 -0.008 0.000 1.234 640 S CA -0.975 57.217 58.200 -0.014 0.000 1.058 640 S CB -0.330 62.859 63.200 -0.017 0.000 0.983 640 S HN 0.622 nan 8.310 nan 0.000 0.495 641 I N 6.856 127.418 120.570 -0.013 0.000 2.412 641 I HA 0.318 4.488 4.170 -0.001 0.000 0.279 641 I C -2.068 174.039 176.117 -0.017 0.000 1.063 641 I CA -2.263 59.035 61.300 -0.004 0.000 1.193 641 I CB 1.321 39.320 38.000 -0.001 0.000 1.370 641 I HN 0.487 nan 8.210 nan 0.000 0.479 642 P HA 0.182 nan 4.420 nan 0.000 0.271 642 P C -0.390 176.896 177.300 -0.024 0.000 1.218 642 P CA 0.034 63.112 63.100 -0.038 0.000 0.780 642 P CB 1.306 32.981 31.700 -0.042 0.000 0.901 643 I N 1.982 122.536 120.570 -0.028 0.000 2.325 643 I HA 0.067 4.236 4.170 -0.001 0.000 0.291 643 I C 1.318 177.448 176.117 0.022 0.000 1.019 643 I CA -0.437 60.879 61.300 0.027 0.000 1.302 643 I CB 0.821 38.888 38.000 0.111 0.000 1.401 643 I HN 0.363 nan 8.210 nan 0.000 0.485 644 S N 5.655 121.380 115.700 0.040 0.000 2.563 644 S HA 0.101 4.570 4.470 -0.001 0.000 0.284 644 S C 1.248 175.891 174.600 0.072 0.000 1.331 644 S CA -0.343 57.877 58.200 0.034 0.000 1.047 644 S CB 0.854 64.075 63.200 0.035 0.000 0.859 644 S HN 0.664 nan 8.310 nan 0.000 0.514 645 R N 1.509 122.028 120.500 0.032 0.000 2.134 645 R HA -0.169 4.170 4.340 -0.001 0.000 0.248 645 R C 2.728 179.079 176.300 0.085 0.000 1.143 645 R CA 2.257 58.387 56.100 0.049 0.000 0.957 645 R CB -0.328 29.969 30.300 -0.004 0.000 0.867 645 R HN 0.677 nan 8.270 nan 0.000 0.441 646 R N 0.348 120.885 120.500 0.062 0.000 2.082 646 R HA -0.158 4.181 4.340 -0.001 0.000 0.234 646 R C 2.452 178.840 176.300 0.148 0.000 1.136 646 R CA 1.910 58.052 56.100 0.070 0.000 0.935 646 R CB -0.521 29.821 30.300 0.071 0.000 0.842 646 R HN 0.346 nan 8.270 nan 0.000 0.430 647 I N -0.129 120.552 120.570 0.185 0.000 2.315 647 I HA -0.267 3.903 4.170 -0.001 0.000 0.248 647 I C 2.132 178.401 176.117 0.254 0.000 1.117 647 I CA 1.290 62.737 61.300 0.245 0.000 1.404 647 I CB -0.400 37.680 38.000 0.133 0.000 1.071 647 I HN 0.416 nan 8.210 nan 0.000 0.419 648 W N 2.449 123.778 121.300 0.049 0.000 2.317 648 W HA -0.271 4.389 4.660 -0.001 0.000 0.318 648 W C 2.151 178.700 176.519 0.050 0.000 1.227 648 W CA 2.235 59.611 57.345 0.053 0.000 1.269 648 W CB -0.252 29.230 29.460 0.036 0.000 1.155 648 W HN 0.279 nan 8.180 nan 0.000 0.484 649 E N -0.533 119.706 120.200 0.065 0.000 2.076 649 E HA -0.165 4.185 4.350 -0.001 0.000 0.190 649 E C 1.447 177.976 176.600 -0.119 0.000 0.979 649 E CA 1.210 57.483 56.400 -0.211 0.000 0.807 649 E CB -0.266 29.081 29.700 -0.589 0.000 0.761 649 E HN 0.156 nan 8.360 nan 0.000 0.454 650 D N -0.701 119.636 120.400 -0.105 0.000 2.360 650 D HA 0.065 4.705 4.640 -0.001 0.000 0.210 650 D C 0.245 176.261 176.300 -0.472 0.000 1.047 650 D CA 0.506 54.356 54.000 -0.250 0.000 0.854 650 D CB 0.335 40.962 40.800 -0.288 0.000 0.936 650 D HN 0.164 nan 8.370 nan 0.000 0.514 651 H N -0.314 118.751 119.070 -0.009 0.000 2.747 651 H HA 0.290 4.845 4.556 -0.001 0.000 0.371 651 H C -0.065 175.247 175.328 -0.027 0.000 1.161 651 H CA -0.660 55.383 56.048 -0.009 0.000 1.167 651 H CB 1.887 31.649 29.762 0.000 0.000 1.732 651 H HN -0.157 nan 8.280 nan 0.000 0.544 652 S N 2.301 118.060 115.700 0.098 0.000 2.423 652 S HA 0.242 4.712 4.470 -0.001 0.000 0.302 652 S C -0.021 174.596 174.600 0.028 0.000 1.143 652 S CA -0.665 57.555 58.200 0.033 0.000 1.080 652 S CB -0.325 62.892 63.200 0.028 0.000 1.081 652 S HN 0.346 nan 8.310 nan 0.000 0.522 653 L N 3.834 125.051 121.223 -0.009 0.000 2.322 653 L HA 0.891 5.230 4.340 -0.001 0.000 0.279 653 L C -0.551 176.317 176.870 -0.003 0.000 1.036 653 L CA -0.542 54.293 54.840 -0.009 0.000 0.807 653 L CB 1.859 43.910 42.059 -0.013 0.000 1.226 653 L HN 0.897 nan 8.230 nan 0.000 0.433 654 M N 5.984 125.590 119.600 0.011 0.000 2.522 654 M HA 0.312 4.792 4.480 -0.001 0.000 0.171 654 M C -1.995 174.332 176.300 0.045 0.000 0.944 654 M CA -0.032 55.302 55.300 0.056 0.000 0.844 654 M CB 0.801 33.448 32.600 0.078 0.000 2.871 654 M HN 0.441 nan 8.290 nan 0.000 0.391 655 L N 3.623 124.861 121.223 0.024 0.000 2.583 655 L HA 0.727 5.067 4.340 -0.001 0.000 0.239 655 L C 0.114 177.139 176.870 0.258 0.000 1.347 655 L CA -0.357 54.416 54.840 -0.112 0.000 1.246 655 L CB -0.516 41.346 42.059 -0.328 0.000 1.496 655 L HN 0.794 nan 8.230 nan 0.000 0.413 656 A N -0.220 122.780 122.820 0.301 0.000 2.374 656 A HA 0.674 4.994 4.320 -0.001 0.000 0.305 656 A C 0.858 178.399 177.584 -0.072 0.000 1.053 656 A CA 0.122 52.310 52.037 0.252 0.000 0.726 656 A CB 1.502 20.663 19.000 0.267 0.000 1.229 656 A HN 0.576 nan 8.150 nan 0.000 0.431 657 G N 0.941 109.372 108.800 -0.615 0.000 2.179 657 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.257 657 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.257 657 G C 0.059 174.590 174.900 -0.615 0.000 1.010 657 G CA 0.918 45.090 45.100 -1.547 0.000 0.736 657 G HN 1.955 nan 8.290 nan 0.000 0.513 658 F N 0.164 119.924 119.950 -0.318 0.000 2.375 658 F HA 0.888 5.415 4.527 -0.000 0.000 0.317 658 F C 0.384 176.141 175.800 -0.071 0.000 1.124 658 F CA -0.779 57.142 58.000 -0.131 0.000 1.050 658 F CB 1.051 40.005 39.000 -0.077 0.000 1.314 658 F HN 0.072 nan 8.300 nan 0.000 0.511 659 S N 0.539 116.292 115.700 0.089 0.000 2.599 659 S HA 0.688 5.157 4.470 -0.001 0.000 0.287 659 S C -1.022 173.700 174.600 0.203 0.000 1.105 659 S CA -0.870 57.342 58.200 0.020 0.000 0.899 659 S CB 1.795 65.065 63.200 0.117 0.000 1.100 659 S HN 0.591 nan 8.310 nan 0.000 0.482 660 L N 2.228 123.527 121.223 0.126 0.000 2.322 660 L HA 0.785 5.125 4.340 -0.001 0.000 0.281 660 L C -0.785 176.159 176.870 0.122 0.000 1.014 660 L CA -0.975 53.957 54.840 0.152 0.000 0.815 660 L CB 1.560 43.692 42.059 0.123 0.000 1.247 660 L HN 0.519 nan 8.230 nan 0.000 0.421 661 V N -0.063 119.936 119.914 0.143 0.000 2.709 661 V HA 0.840 4.959 4.120 -0.001 0.000 0.308 661 V C -0.318 175.864 176.094 0.147 0.000 1.062 661 V CA -0.557 61.817 62.300 0.124 0.000 0.901 661 V CB 1.751 33.635 31.823 0.101 0.000 1.003 661 V HN 0.791 nan 8.190 nan 0.000 0.425 662 S N 1.600 117.369 115.700 0.114 0.000 2.594 662 S HA 0.680 5.150 4.470 -0.001 0.000 0.296 662 S C -0.142 174.512 174.600 0.091 0.000 1.124 662 S CA -0.576 57.697 58.200 0.122 0.000 1.011 662 S CB 1.514 64.768 63.200 0.090 0.000 1.016 662 S HN 0.907 nan 8.310 nan 0.000 0.485 668 I N 3.436 123.975 120.570 -0.052 0.000 2.466 668 I HA 0.390 4.560 4.170 -0.001 0.000 0.289 668 I C -0.151 175.907 176.117 -0.098 0.000 1.026 668 I CA -0.881 60.414 61.300 -0.009 0.000 1.078 668 I CB 1.598 39.589 38.000 -0.015 0.000 1.249 668 I HN 0.579 nan 8.210 nan 0.000 0.429 669 H N 6.652 125.741 119.070 0.031 0.000 2.473 669 H HA 0.506 5.061 4.556 -0.001 0.000 0.327 669 H C -0.585 174.772 175.328 0.049 0.000 1.105 669 H CA -0.458 55.607 56.048 0.028 0.000 1.280 669 H CB 2.424 32.196 29.762 0.017 0.000 1.450 669 H HN 0.385 nan 8.280 nan 0.000 0.492 670 I N 5.574 126.218 120.570 0.123 0.000 2.359 670 I HA 0.235 4.404 4.170 -0.001 0.000 0.284 670 I C 0.333 176.521 176.117 0.118 0.000 1.018 670 I CA -0.278 61.094 61.300 0.119 0.000 1.173 670 I CB 0.533 38.527 38.000 -0.009 0.000 1.326 670 I HN 0.359 nan 8.210 nan 0.000 0.462 671 I N 2.859 123.532 120.570 0.171 0.000 2.892 671 I HA 1.006 5.175 4.170 -0.001 0.000 0.306 671 I C 0.422 176.608 176.117 0.116 0.000 1.078 671 I CA -0.546 60.817 61.300 0.105 0.000 1.032 671 I CB 2.050 40.091 38.000 0.067 0.000 1.229 671 I HN 0.680 nan 8.210 nan 0.000 0.435 672 G N 2.216 111.030 108.800 0.023 0.000 2.796 672 G HA2 0.380 4.340 3.960 -0.001 0.000 0.226 672 G HA3 0.380 4.340 3.960 -0.001 0.000 0.226 672 G C 0.119 175.057 174.900 0.063 0.000 1.381 672 G CA -0.013 45.086 45.100 -0.002 0.000 0.867 672 G HN 2.765 nan 8.290 nan 0.000 0.552 673 G N -2.396 106.418 108.800 0.023 0.000 2.619 673 G HA2 0.602 4.562 3.960 -0.001 0.000 0.686 673 G HA3 0.602 4.562 3.960 -0.001 0.000 0.686 673 G C 0.848 175.762 174.900 0.024 0.000 1.256 673 G CA 0.671 45.780 45.100 0.014 0.000 0.826 673 G HN 3.144 nan 8.290 nan 0.000 0.619 674 G N -1.356 107.468 108.800 0.040 0.000 2.343 674 G HA2 0.846 4.805 3.960 -0.001 0.000 0.289 674 G HA3 0.846 4.805 3.960 -0.001 0.000 0.289 674 G C -0.557 174.413 174.900 0.117 0.000 1.295 674 G CA 1.144 46.286 45.100 0.070 0.000 0.869 674 G HN 2.907 nan 8.290 nan 0.000 0.522 675 A N -1.225 121.663 122.820 0.114 0.000 2.599 675 A HA 0.825 5.145 4.320 -0.001 0.000 0.294 675 A C -0.532 177.111 177.584 0.098 0.000 1.055 675 A CA 0.080 52.206 52.037 0.147 0.000 0.683 675 A CB 1.261 20.384 19.000 0.205 0.000 1.278 675 A HN 1.429 nan 8.150 nan 0.000 0.412 676 T N 1.261 115.867 114.554 0.087 0.000 2.743 676 T HA 0.362 4.712 4.350 -0.001 0.000 0.293 676 T C -0.058 174.687 174.700 0.075 0.000 0.945 676 T CA -0.021 62.099 62.100 0.033 0.000 1.030 676 T CB 0.141 69.000 68.868 -0.016 0.000 0.912 676 T HN 0.631 nan 8.240 nan 0.000 0.483 677 C N 5.136 124.437 119.300 0.002 0.000 2.700 677 C HA 0.238 4.698 4.460 -0.001 0.000 0.529 677 C C 0.717 175.640 174.990 -0.112 0.000 1.093 677 C CA -0.726 58.277 59.018 -0.026 0.000 1.320 677 C CB -2.674 24.834 27.740 -0.386 0.000 1.478 677 C HN 1.054 nan 8.230 nan 0.000 0.598 678 Y N 0.791 121.008 120.300 -0.139 0.000 3.491 678 Y HA -0.273 4.276 4.550 -0.001 0.000 0.215 678 Y C 1.320 176.781 175.900 -0.732 0.000 1.219 678 Y CA 1.729 59.595 58.100 -0.388 0.000 1.485 678 Y CB -1.179 37.088 38.460 -0.322 0.000 1.450 678 Y HN 0.970 nan 8.280 nan 0.000 0.603 679 G N -0.557 107.935 108.800 -0.512 0.000 2.153 679 G HA2 -0.365 3.594 3.960 -0.001 0.000 0.252 679 G HA3 -0.365 3.594 3.960 -0.001 0.000 0.252 679 G C 0.497 175.101 174.900 -0.494 0.000 0.994 679 G CA 0.221 45.047 45.100 -0.457 0.000 0.698 679 G HN 0.718 nan 8.290 nan 0.000 0.521 680 F N 1.016 120.730 119.950 -0.393 0.000 2.660 680 F HA 0.455 4.982 4.527 -0.001 0.000 0.302 680 F C 1.627 177.233 175.800 -0.323 0.000 1.103 680 F CA 0.175 57.750 58.000 -0.709 0.000 1.340 680 F CB 0.632 39.337 39.000 -0.492 0.000 1.048 680 F HN 0.690 nan 8.300 nan 0.000 0.551 681 G N 0.421 109.177 108.800 -0.073 0.000 2.423 681 G HA2 0.038 3.998 3.960 -0.001 0.000 0.684 681 G HA3 0.038 3.998 3.960 -0.001 0.000 0.684 681 G C -1.089 173.791 174.900 -0.034 0.000 1.309 681 G CA -0.899 44.191 45.100 -0.016 0.000 0.950 681 G HN 0.134 nan 8.290 nan 0.000 0.587 682 S N -1.451 114.241 115.700 -0.014 0.000 2.578 682 S HA 0.855 5.325 4.470 -0.001 0.000 0.301 682 S C -0.356 174.247 174.600 0.006 0.000 1.091 682 S CA -0.802 57.395 58.200 -0.005 0.000 1.032 682 S CB 2.376 65.573 63.200 -0.006 0.000 1.064 682 S HN 1.458 nan 8.310 nan 0.000 0.508 683 V N 1.573 121.498 119.914 0.019 0.000 2.656 683 V HA 0.576 4.696 4.120 -0.001 0.000 0.307 683 V C -0.346 175.767 176.094 0.031 0.000 1.051 683 V CA -0.547 61.767 62.300 0.022 0.000 0.893 683 V CB 2.170 34.008 31.823 0.025 0.000 0.999 683 V HN 1.033 nan 8.190 nan 0.000 0.426 684 T N 3.798 118.367 114.554 0.024 0.000 2.797 684 T HA 0.277 4.627 4.350 -0.001 0.000 0.279 684 T C 0.038 174.752 174.700 0.022 0.000 0.991 684 T CA -0.389 61.725 62.100 0.023 0.000 0.979 684 T CB 0.790 69.666 68.868 0.014 0.000 0.943 684 T HN 0.702 nan 8.240 nan 0.000 0.444 685 N N 2.951 121.664 118.700 0.022 0.000 2.438 685 N HA 0.027 4.767 4.740 -0.001 0.000 0.267 685 N C 1.093 176.607 175.510 0.007 0.000 1.222 685 N CA -0.195 52.864 53.050 0.014 0.000 0.930 685 N CB 0.798 39.294 38.487 0.014 0.000 1.083 685 N HN 0.267 nan 8.380 nan 0.000 0.476 686 V N 3.250 123.170 119.914 0.010 0.000 2.379 686 V HA 0.099 4.219 4.120 -0.001 0.000 0.245 686 V C 1.152 177.238 176.094 -0.013 0.000 1.044 686 V CA 1.517 63.820 62.300 0.005 0.000 1.036 686 V CB -0.847 30.990 31.823 0.024 0.000 0.664 686 V HN 0.993 nan 8.190 nan 0.000 0.453 687 G N -0.710 108.079 108.800 -0.019 0.000 2.521 687 G HA2 0.186 4.146 3.960 -0.001 0.000 0.589 687 G HA3 0.186 4.146 3.960 -0.001 0.000 0.589 687 G C -1.421 173.462 174.900 -0.029 0.000 1.501 687 G CA -0.789 44.302 45.100 -0.014 0.000 0.887 687 G HN 0.176 nan 8.290 nan 0.000 0.654 688 L N 0.624 121.836 121.223 -0.019 0.000 2.341 688 L HA 0.887 5.227 4.340 -0.001 0.000 0.254 688 L C -0.088 176.753 176.870 -0.048 0.000 1.040 688 L CA -1.141 53.675 54.840 -0.040 0.000 0.837 688 L CB 2.838 44.863 42.059 -0.056 0.000 1.425 688 L HN 0.723 nan 8.230 nan 0.000 0.414 689 K N 1.475 121.819 120.400 -0.093 0.000 2.525 689 K HA 0.542 4.861 4.320 -0.001 0.000 0.254 689 K C -2.087 174.435 176.600 -0.130 0.000 0.934 689 K CA -0.652 55.513 56.287 -0.203 0.000 0.802 689 K CB 2.639 34.982 32.500 -0.262 0.000 1.295 689 K HN 0.480 nan 8.250 nan 0.000 0.433 690 L N 6.898 128.044 121.223 -0.129 0.000 2.280 690 L HA 0.543 4.882 4.340 -0.001 0.000 0.287 690 L C -0.781 176.095 176.870 0.010 0.000 1.023 690 L CA -0.352 54.465 54.840 -0.039 0.000 0.819 690 L CB 0.869 42.903 42.059 -0.041 0.000 1.212 690 L HN 0.631 nan 8.230 nan 0.000 0.420 691 I N 2.191 122.805 120.570 0.073 0.000 2.846 691 I HA 0.872 5.041 4.170 -0.001 0.000 0.307 691 I C 0.028 176.242 176.117 0.161 0.000 1.053 691 I CA -1.142 60.225 61.300 0.111 0.000 1.050 691 I CB 1.945 39.970 38.000 0.042 0.000 1.239 691 I HN 0.700 nan 8.210 nan 0.000 0.439 692 A N 4.700 127.564 122.820 0.075 0.000 2.445 692 A HA 0.459 4.778 4.320 -0.001 0.000 0.242 692 A C 0.024 177.495 177.584 -0.189 0.000 1.075 692 A CA -0.244 51.634 52.037 -0.265 0.000 0.777 692 A CB -0.042 18.803 19.000 -0.258 0.000 1.013 692 A HN 0.647 nan 8.150 nan 0.000 0.493 693 I N 2.102 122.514 120.570 -0.264 0.000 2.416 693 I HA 0.317 4.486 4.170 -0.001 0.000 0.288 693 I C 1.084 177.121 176.117 -0.133 0.000 1.051 693 I CA -0.211 61.001 61.300 -0.147 0.000 1.375 693 I CB 0.854 38.779 38.000 -0.126 0.000 1.407 693 I HN 0.774 nan 8.210 nan 0.000 0.516 694 A N 0.000 122.770 122.820 -0.084 0.000 2.254 694 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 694 A CA 0.000 51.996 52.037 -0.068 0.000 0.836 694 A CB 0.000 18.973 19.000 -0.046 0.000 0.831 694 A HN 0.000 nan 8.150 nan 0.000 0.486