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 3n0t_1_C DATA FIRST_RESID 28 DATA SEQUENCE DPGFQERFFQ QRLDHFNFER FGNKTFPQRF LVSDRFWVRG EGPIFFYTGN DATA SEQUENCE EGDVWAFANN SAFVAELAAE RGALLVFAEH RYYGKSLPFG AQSTQRGHTE DATA SEQUENCE LLTVEQALAD FAELLRALRR DLGAQDAPAI AFGGSYGGML SAYLRMKYPH DATA SEQUENCE LVAGALAASA PVLAVAGLGD SNQFFRDVTA DFEGQSPKcT QGVREAFRQI DATA SEQUENCE KDLFLQGAYD TVRWEFGTcQ PLSDEKDLTQ LFMFARNAFT VLAMMDYPYP DATA SEQUENCE TDFLGPLPAN PVKVGcDRLL SEAQRITGLR ALAGLVYNAS GSEHcYDIYR DATA SEQUENCE LYHScADPTG cGTGPDARAW DYQAcTEINL TFASNNVTDM FPDLPFTDEL DATA SEQUENCE RQRYcLDTWG VWPRPDWLLT SFWGGDLRAA SNIIFSNGNL DPWAGGGIRR DATA SEQUENCE NLSASVIAVT IQGGAHHLDL RASHPEDPAS VVEARKLEAT IIGEWVKAAR DATA SEQUENCE R 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 28 D HA 0.000 nan 4.640 nan 0.000 0.175 28 D C 0.000 176.199 176.300 -0.168 0.000 2.045 28 D CA 0.000 53.957 54.000 -0.072 0.000 0.868 28 D CB 0.000 40.772 40.800 -0.047 0.000 0.688 29 P HA 0.327 nan 4.420 nan 0.000 0.236 29 P C 1.153 178.093 177.300 -0.599 0.000 1.172 29 P CA 1.713 64.487 63.100 -0.544 0.000 0.759 29 P CB 0.165 31.376 31.700 -0.814 0.000 0.843 30 G N -0.783 107.777 108.800 -0.400 0.000 2.256 30 G HA2 -0.264 3.697 3.960 0.001 0.000 0.272 30 G HA3 -0.264 3.697 3.960 0.001 0.000 0.272 30 G C -0.187 174.625 174.900 -0.148 0.000 1.076 30 G CA -0.780 44.190 45.100 -0.217 0.000 0.882 30 G HN 0.141 nan 8.290 nan 0.000 0.497 31 F N 0.482 120.421 119.950 -0.018 0.000 2.590 31 F HA 0.205 4.733 4.527 0.001 0.000 0.389 31 F C 1.282 177.086 175.800 0.007 0.000 1.049 31 F CA 0.308 58.259 58.000 -0.080 0.000 1.199 31 F CB 0.636 39.473 39.000 -0.272 0.000 1.058 31 F HN 0.201 nan 8.300 nan 0.000 0.556 32 Q N 2.939 122.819 119.800 0.133 0.000 2.290 32 Q HA 0.146 4.486 4.340 0.001 0.000 0.259 32 Q C -0.282 175.675 176.000 -0.072 0.000 0.941 32 Q CA -0.615 55.221 55.803 0.054 0.000 0.912 32 Q CB 1.795 30.538 28.738 0.008 0.000 1.244 32 Q HN 0.629 nan 8.270 nan 0.000 0.441 33 E N 3.403 123.602 120.200 -0.003 0.000 2.257 33 E HA 0.091 4.442 4.350 0.001 0.000 0.278 33 E C -0.646 175.795 176.600 -0.266 0.000 1.049 33 E CA -0.075 56.245 56.400 -0.134 0.000 0.876 33 E CB 0.518 30.292 29.700 0.124 0.000 1.035 33 E HN 0.257 nan 8.360 nan 0.000 0.419 34 R N 3.396 123.516 120.500 -0.634 0.000 2.867 34 R HA 0.491 4.832 4.340 0.001 0.000 0.268 34 R C -1.217 174.570 176.300 -0.854 0.000 1.014 34 R CA -0.828 54.855 56.100 -0.694 0.000 0.946 34 R CB 1.162 30.840 30.300 -1.037 0.000 1.208 34 R HN 0.476 nan 8.270 nan 0.000 0.477 35 F N 0.771 120.625 119.950 -0.160 0.000 2.547 35 F HA 0.428 4.955 4.527 0.001 0.000 0.316 35 F C -0.428 175.572 175.800 0.333 0.000 1.121 35 F CA -0.807 57.249 58.000 0.094 0.000 0.911 35 F CB 1.642 40.665 39.000 0.039 0.000 1.179 35 F HN 0.277 nan 8.300 nan 0.000 0.443 36 F N 3.744 123.934 119.950 0.401 0.000 2.458 36 F HA 0.457 4.984 4.527 0.001 0.000 0.336 36 F C -0.333 175.479 175.800 0.021 0.000 1.114 36 F CA -0.850 57.281 58.000 0.219 0.000 0.987 36 F CB 1.175 40.242 39.000 0.112 0.000 1.130 36 F HN 0.307 nan 8.300 nan 0.000 0.458 37 Q N 5.140 124.504 119.800 -0.727 0.000 2.369 37 Q HA 0.127 4.467 4.340 0.001 0.000 0.247 37 Q C -0.687 174.648 176.000 -1.109 0.000 1.083 37 Q CA -0.138 55.247 55.803 -0.697 0.000 0.905 37 Q CB 0.997 29.483 28.738 -0.419 0.000 1.305 37 Q HN 0.646 nan 8.270 nan 0.000 0.465 38 Q N 1.794 121.064 119.800 -0.883 0.000 2.245 38 Q HA 0.320 4.660 4.340 0.001 0.000 0.256 38 Q C -0.866 174.889 176.000 -0.408 0.000 0.942 38 Q CA -0.673 54.753 55.803 -0.630 0.000 0.896 38 Q CB 1.035 29.405 28.738 -0.614 0.000 1.272 38 Q HN 0.312 nan 8.270 nan 0.000 0.442 39 R N 2.849 123.220 120.500 -0.214 0.000 2.538 39 R HA 0.040 4.380 4.340 0.001 0.000 0.282 39 R C 0.548 176.751 176.300 -0.163 0.000 1.009 39 R CA 0.432 56.374 56.100 -0.263 0.000 1.063 39 R CB 0.072 30.079 30.300 -0.488 0.000 0.945 39 R HN 0.910 nan 8.270 nan 0.000 0.414 40 L N 1.324 122.503 121.223 -0.074 0.000 1.994 40 L HA -0.084 4.257 4.340 0.001 0.000 0.208 40 L C 0.574 177.362 176.870 -0.137 0.000 1.071 40 L CA 1.283 56.063 54.840 -0.100 0.000 0.745 40 L CB -0.103 41.800 42.059 -0.259 0.000 0.892 40 L HN 0.635 nan 8.230 nan 0.000 0.431 41 D N -1.844 118.474 120.400 -0.138 0.000 2.469 41 D HA 0.139 4.780 4.640 0.001 0.000 0.251 41 D C 0.602 176.761 176.300 -0.235 0.000 1.173 41 D CA -0.289 53.693 54.000 -0.031 0.000 0.882 41 D CB 0.790 41.725 40.800 0.225 0.000 1.129 41 D HN 0.095 nan 8.370 nan 0.000 0.549 42 H N 2.767 121.780 119.070 -0.094 0.000 2.548 42 H HA 0.042 4.598 4.556 0.001 0.000 0.268 42 H C 0.629 175.558 175.328 -0.665 0.000 0.975 42 H CA 0.602 56.396 56.048 -0.425 0.000 1.195 42 H CB 0.694 30.126 29.762 -0.549 0.000 1.397 42 H HN 0.400 nan 8.280 nan 0.000 0.572 43 F N -0.399 119.631 119.950 0.134 0.000 2.706 43 F HA 0.204 4.732 4.527 0.001 0.000 0.308 43 F C 0.768 176.650 175.800 0.136 0.000 1.095 43 F CA -0.213 57.871 58.000 0.140 0.000 1.244 43 F CB 0.704 39.795 39.000 0.152 0.000 1.063 43 F HN -0.055 nan 8.300 nan 0.000 0.582 44 N N -0.391 118.422 118.700 0.190 0.000 2.397 44 N HA 0.166 4.906 4.740 0.001 0.000 0.291 44 N C -0.324 175.241 175.510 0.092 0.000 1.065 44 N CA -0.339 52.830 53.050 0.198 0.000 0.884 44 N CB 0.983 39.579 38.487 0.182 0.000 1.551 44 N HN -0.025 nan 8.380 nan 0.000 0.487 45 F N 1.508 121.501 119.950 0.071 0.000 2.615 45 F HA 0.199 4.727 4.527 0.001 0.000 0.297 45 F C 1.909 177.732 175.800 0.039 0.000 1.124 45 F CA 0.548 58.578 58.000 0.050 0.000 1.451 45 F CB 0.662 39.685 39.000 0.039 0.000 1.103 45 F HN 0.517 nan 8.300 nan 0.000 0.569 46 E N -0.516 119.794 120.200 0.184 0.000 2.057 46 E HA -0.033 4.318 4.350 0.001 0.000 0.191 46 E C 2.194 178.790 176.600 -0.007 0.000 0.959 46 E CA -0.180 56.270 56.400 0.083 0.000 0.828 46 E CB -0.097 29.637 29.700 0.056 0.000 0.800 46 E HN -0.037 nan 8.360 nan 0.000 0.460 47 R N 0.292 120.741 120.500 -0.085 0.000 2.159 47 R HA -0.177 4.164 4.340 0.001 0.000 0.252 47 R C 0.747 176.684 176.300 -0.604 0.000 1.144 47 R CA 1.569 57.445 56.100 -0.373 0.000 0.961 47 R CB -0.222 29.812 30.300 -0.443 0.000 0.877 47 R HN 0.186 nan 8.270 nan 0.000 0.444 48 F N -0.883 119.107 119.950 0.068 0.000 2.810 48 F HA 0.287 4.814 4.527 0.001 0.000 0.353 48 F C 1.384 177.205 175.800 0.035 0.000 1.227 48 F CA 0.157 58.198 58.000 0.069 0.000 1.210 48 F CB 0.440 39.500 39.000 0.099 0.000 1.039 48 F HN 0.214 nan 8.300 nan 0.000 0.509 49 G N 2.605 111.483 108.800 0.129 0.000 2.684 49 G HA2 -0.477 3.483 3.960 0.001 0.000 0.332 49 G HA3 -0.477 3.483 3.960 0.001 0.000 0.332 49 G C 1.109 176.047 174.900 0.065 0.000 1.306 49 G CA 1.197 46.353 45.100 0.094 0.000 1.002 49 G HN 0.504 nan 8.290 nan 0.000 0.545 50 N N 0.876 119.604 118.700 0.047 0.000 2.205 50 N HA 0.113 4.853 4.740 0.001 0.000 0.201 50 N C 0.434 175.938 175.510 -0.010 0.000 1.128 50 N CA 0.539 53.591 53.050 0.004 0.000 0.867 50 N CB 0.122 38.618 38.487 0.015 0.000 0.996 50 N HN 0.757 nan 8.380 nan 0.000 0.503 51 K N 0.951 121.369 120.400 0.029 0.000 2.527 51 K HA 0.045 4.365 4.320 0.001 0.000 0.278 51 K C 0.420 177.004 176.600 -0.027 0.000 0.981 51 K CA 0.631 56.931 56.287 0.022 0.000 1.009 51 K CB 0.240 32.791 32.500 0.087 0.000 0.895 51 K HN 0.400 nan 8.250 nan 0.000 0.493 52 T N -0.573 113.948 114.554 -0.055 0.000 2.930 52 T HA 0.685 5.036 4.350 0.001 0.000 0.290 52 T C -0.563 174.108 174.700 -0.049 0.000 1.052 52 T CA -1.053 60.987 62.100 -0.101 0.000 1.017 52 T CB 0.795 69.546 68.868 -0.195 0.000 1.137 52 T HN 0.477 nan 8.240 nan 0.000 0.511 53 F N -1.042 118.780 119.950 -0.213 0.000 2.577 53 F HA 0.845 5.373 4.527 0.001 0.000 0.318 53 F C -3.206 172.528 175.800 -0.111 0.000 1.065 53 F CA -3.306 54.572 58.000 -0.203 0.000 0.929 53 F CB 1.172 39.992 39.000 -0.301 0.000 1.237 53 F HN 0.311 nan 8.300 nan 0.000 0.468 54 P HA 0.154 nan 4.420 nan 0.000 0.287 54 P C -1.488 175.877 177.300 0.109 0.000 1.307 54 P CA -0.144 62.938 63.100 -0.030 0.000 0.777 54 P CB 1.278 32.965 31.700 -0.023 0.000 0.883 55 Q N 3.345 123.135 119.800 -0.015 0.000 2.307 55 Q HA 0.313 4.654 4.340 0.001 0.000 0.262 55 Q C -0.352 175.829 176.000 0.300 0.000 0.961 55 Q CA -0.919 54.976 55.803 0.154 0.000 0.882 55 Q CB 1.275 30.006 28.738 -0.010 0.000 1.264 55 Q HN 0.308 nan 8.270 nan 0.000 0.446 56 R N 3.448 124.046 120.500 0.163 0.000 2.490 56 R HA 0.427 4.768 4.340 0.001 0.000 0.278 56 R C -1.097 175.206 176.300 0.006 0.000 1.069 56 R CA -0.001 55.920 56.100 -0.298 0.000 1.080 56 R CB 0.494 30.560 30.300 -0.389 0.000 1.030 56 R HN 0.555 nan 8.270 nan 0.000 0.491 57 F N 1.508 121.277 119.950 -0.301 0.000 2.654 57 F HA 0.499 5.026 4.527 0.001 0.000 0.308 57 F C -2.034 173.572 175.800 -0.325 0.000 1.108 57 F CA -1.345 56.510 58.000 -0.242 0.000 0.957 57 F CB 1.215 40.125 39.000 -0.150 0.000 1.309 57 F HN 0.172 nan 8.300 nan 0.000 0.446 58 L N 3.519 124.569 121.223 -0.288 0.000 2.329 58 L HA 0.840 5.181 4.340 0.001 0.000 0.279 58 L C -0.790 176.010 176.870 -0.116 0.000 1.014 58 L CA -1.320 53.245 54.840 -0.458 0.000 0.814 58 L CB 1.716 43.193 42.059 -0.971 0.000 1.257 58 L HN 0.737 nan 8.230 nan 0.000 0.424 59 V N 1.799 121.709 119.914 -0.006 0.000 2.914 59 V HA 0.741 4.861 4.120 0.001 0.000 0.314 59 V C -0.813 175.401 176.094 0.199 0.000 1.084 59 V CA -0.129 62.260 62.300 0.148 0.000 0.963 59 V CB 2.429 34.342 31.823 0.151 0.000 1.025 59 V HN 0.794 nan 8.190 nan 0.000 0.432 60 S N 2.540 118.320 115.700 0.134 0.000 2.720 60 S HA 0.410 4.881 4.470 0.001 0.000 0.278 60 S C -0.463 174.112 174.600 -0.042 0.000 1.172 60 S CA -0.153 58.024 58.200 -0.039 0.000 1.019 60 S CB 1.305 64.358 63.200 -0.245 0.000 1.049 60 S HN 0.975 nan 8.310 nan 0.000 0.483 61 D N 2.884 123.269 120.400 -0.026 0.000 2.369 61 D HA 0.096 4.737 4.640 0.001 0.000 0.211 61 D C 1.693 177.978 176.300 -0.025 0.000 1.077 61 D CA -0.275 53.786 54.000 0.102 0.000 0.842 61 D CB 0.020 40.948 40.800 0.215 0.000 0.947 61 D HN 0.282 nan 8.370 nan 0.000 0.509 62 R N 0.072 120.399 120.500 -0.288 0.000 2.119 62 R HA -0.156 4.184 4.340 0.001 0.000 0.246 62 R C 1.198 177.221 176.300 -0.463 0.000 1.146 62 R CA 1.588 57.367 56.100 -0.535 0.000 0.962 62 R CB -1.164 28.534 30.300 -1.004 0.000 0.863 62 R HN 0.433 nan 8.270 nan 0.000 0.442 63 F N -2.809 117.146 119.950 0.009 0.000 2.717 63 F HA 0.373 4.900 4.527 0.001 0.000 0.295 63 F C 0.659 176.501 175.800 0.071 0.000 1.117 63 F CA -1.543 56.459 58.000 0.003 0.000 1.361 63 F CB -0.578 38.395 39.000 -0.045 0.000 1.112 63 F HN 0.142 nan 8.300 nan 0.000 0.594 64 W N 2.916 124.223 121.300 0.012 0.000 2.397 64 W HA 0.342 5.003 4.660 0.001 0.000 0.327 64 W C -0.329 176.177 176.519 -0.022 0.000 1.421 64 W CA -0.697 56.635 57.345 -0.022 0.000 1.288 64 W CB 0.424 29.866 29.460 -0.031 0.000 1.312 64 W HN -0.312 nan 8.180 nan 0.000 0.559 65 V N 9.167 128.980 119.914 -0.169 0.000 2.267 65 V HA 0.180 4.300 4.120 0.001 0.000 0.254 65 V C 0.977 176.578 176.094 -0.822 0.000 1.144 65 V CA -0.868 61.229 62.300 -0.338 0.000 0.992 65 V CB -0.638 31.092 31.823 -0.154 0.000 1.199 65 V HN 0.327 nan 8.190 nan 0.000 0.493 66 R N 3.252 123.052 120.500 -1.166 0.000 2.478 66 R HA 0.010 4.350 4.340 0.001 0.000 0.281 66 R C 1.420 177.231 176.300 -0.815 0.000 0.939 66 R CA 1.135 56.291 56.100 -1.573 0.000 1.120 66 R CB -0.046 29.707 30.300 -0.910 0.000 0.885 66 R HN 1.130 nan 8.270 nan 0.000 0.415 67 G N 2.058 110.497 108.800 -0.603 0.000 2.225 67 G HA2 -0.311 3.649 3.960 0.001 0.000 0.267 67 G HA3 -0.311 3.649 3.960 0.001 0.000 0.267 67 G C 0.450 175.303 174.900 -0.079 0.000 1.024 67 G CA 0.879 45.887 45.100 -0.154 0.000 0.784 67 G HN 0.773 nan 8.290 nan 0.000 0.507 68 E N -1.642 118.522 120.200 -0.059 0.000 3.902 68 E HA 0.200 4.551 4.350 0.001 0.000 0.247 68 E C 1.614 178.281 176.600 0.111 0.000 1.284 68 E CA -0.125 56.276 56.400 0.003 0.000 1.773 68 E CB -0.246 29.416 29.700 -0.063 0.000 1.684 68 E HN 0.588 nan 8.360 nan 0.000 0.762 69 G N 4.333 113.218 108.800 0.143 0.000 2.391 69 G HA2 0.090 4.051 3.960 0.001 0.000 0.234 69 G HA3 0.090 4.051 3.960 0.001 0.000 0.234 69 G C -2.294 172.806 174.900 0.332 0.000 1.284 69 G CA -0.486 44.772 45.100 0.263 0.000 0.873 69 G HN 0.027 nan 8.290 nan 0.000 0.549 70 P HA 0.223 nan 4.420 nan 0.000 0.274 70 P C -0.203 177.099 177.300 0.003 0.000 1.260 70 P CA -0.311 62.857 63.100 0.113 0.000 0.793 70 P CB 1.060 32.864 31.700 0.174 0.000 1.048 71 I N 0.362 120.968 120.570 0.061 0.000 2.321 71 I HA 0.225 4.396 4.170 0.001 0.000 0.291 71 I C -0.017 176.299 176.117 0.332 0.000 0.998 71 I CA -0.627 60.679 61.300 0.011 0.000 1.227 71 I CB 0.306 38.252 38.000 -0.090 0.000 1.368 71 I HN 0.061 nan 8.210 nan 0.000 0.466 72 F N 6.733 126.704 119.950 0.034 0.000 2.377 72 F HA 0.273 4.801 4.527 0.001 0.000 0.360 72 F C -0.156 175.684 175.800 0.066 0.000 1.147 72 F CA -1.058 57.020 58.000 0.130 0.000 1.170 72 F CB 0.189 39.160 39.000 -0.048 0.000 1.339 72 F HN 0.253 nan 8.300 nan 0.000 0.552 73 F N 4.829 124.841 119.950 0.103 0.000 2.361 73 F HA 0.277 4.805 4.527 0.001 0.000 0.364 73 F C -0.631 175.025 175.800 -0.240 0.000 1.120 73 F CA -0.979 56.948 58.000 -0.122 0.000 1.102 73 F CB 0.389 39.273 39.000 -0.192 0.000 1.183 73 F HN 0.350 nan 8.300 nan 0.000 0.476 74 Y N 5.552 125.358 120.300 -0.824 0.000 2.452 74 Y HA 0.197 4.747 4.550 0.001 0.000 0.348 74 Y C 0.595 175.923 175.900 -0.954 0.000 0.985 74 Y CA -0.756 56.794 58.100 -0.916 0.000 1.214 74 Y CB 0.613 38.092 38.460 -1.635 0.000 1.136 74 Y HN 0.636 nan 8.280 nan 0.000 0.523 75 T N 3.522 117.496 114.554 -0.967 0.000 2.978 75 T HA 0.297 4.647 4.350 0.001 0.000 0.278 75 T C 0.802 175.028 174.700 -0.790 0.000 0.945 75 T CA -0.375 61.009 62.100 -1.194 0.000 1.070 75 T CB -0.329 67.972 68.868 -0.946 0.000 0.948 75 T HN 0.898 nan 8.240 nan 0.000 0.617 76 G N 3.977 112.559 108.800 -0.362 0.000 2.474 76 G HA2 0.268 4.228 3.960 0.001 0.000 0.233 76 G HA3 0.268 4.228 3.960 0.001 0.000 0.233 76 G C 0.406 175.265 174.900 -0.068 0.000 1.278 76 G CA -0.722 44.362 45.100 -0.028 0.000 0.861 76 G HN 0.843 nan 8.290 nan 0.000 0.567 77 N N 0.284 118.677 118.700 -0.511 0.000 2.909 77 N HA 0.120 4.860 4.740 0.001 0.000 0.326 77 N C 0.771 176.138 175.510 -0.239 0.000 1.368 77 N CA -0.626 52.215 53.050 -0.349 0.000 0.797 77 N CB 0.145 38.360 38.487 -0.453 0.000 1.150 77 N HN 0.517 nan 8.380 nan 0.000 0.550 78 E N 0.243 120.256 120.200 -0.311 0.000 2.651 78 E HA 0.224 4.575 4.350 0.001 0.000 0.236 78 E C -0.016 176.405 176.600 -0.298 0.000 1.422 78 E CA -0.239 55.666 56.400 -0.825 0.000 1.534 78 E CB -1.172 28.227 29.700 -0.502 0.000 1.381 78 E HN 0.631 nan 8.360 nan 0.000 0.435 79 G N 0.381 109.195 108.800 0.023 0.000 2.428 79 G HA2 0.119 4.080 3.960 0.001 0.000 0.304 79 G HA3 0.119 4.080 3.960 0.001 0.000 0.304 79 G C -1.663 173.388 174.900 0.251 0.000 1.303 79 G CA -0.595 44.625 45.100 0.200 0.000 0.825 79 G HN 0.171 nan 8.290 nan 0.000 0.484 80 D N -0.076 120.375 120.400 0.085 0.000 2.451 80 D HA 0.128 4.768 4.640 0.001 0.000 0.254 80 D C 1.618 177.888 176.300 -0.049 0.000 1.204 80 D CA 0.531 54.586 54.000 0.091 0.000 0.896 80 D CB 1.473 42.325 40.800 0.088 0.000 1.136 80 D HN 0.436 nan 8.370 nan 0.000 0.499 81 V N 5.170 125.161 119.914 0.129 0.000 2.363 81 V HA -0.287 3.834 4.120 0.001 0.000 0.254 81 V C 1.401 177.378 176.094 -0.195 0.000 1.074 81 V CA 2.013 64.374 62.300 0.101 0.000 1.069 81 V CB -0.579 31.244 31.823 0.000 0.000 0.659 81 V HN 0.794 nan 8.190 nan 0.000 0.455 82 W N -0.153 121.019 121.300 -0.214 0.000 2.342 82 W HA -0.117 4.544 4.660 0.001 0.000 0.297 82 W C 2.566 178.901 176.519 -0.306 0.000 1.213 82 W CA 1.599 58.776 57.345 -0.280 0.000 1.251 82 W CB -0.649 28.703 29.460 -0.181 0.000 1.136 82 W HN 0.314 nan 8.180 nan 0.000 0.526 83 A N -0.385 122.340 122.820 -0.158 0.000 1.978 83 A HA -0.173 4.147 4.320 0.001 0.000 0.220 83 A C 1.594 179.048 177.584 -0.216 0.000 1.170 83 A CA 1.519 53.430 52.037 -0.211 0.000 0.636 83 A CB -1.053 17.727 19.000 -0.366 0.000 0.810 83 A HN 0.304 nan 8.150 nan 0.000 0.448 84 F N -0.262 119.686 119.950 -0.003 0.000 2.270 84 F HA 0.200 4.728 4.527 0.001 0.000 0.295 84 F C 2.694 178.261 175.800 -0.388 0.000 1.087 84 F CA 0.258 58.154 58.000 -0.173 0.000 1.365 84 F CB -0.937 37.851 39.000 -0.352 0.000 1.056 84 F HN 0.215 nan 8.300 nan 0.000 0.506 85 A N 0.855 123.305 122.820 -0.616 0.000 1.877 85 A HA -0.184 4.137 4.320 0.001 0.000 0.216 85 A C 2.058 179.419 177.584 -0.371 0.000 1.186 85 A CA 1.987 53.327 52.037 -1.161 0.000 0.620 85 A CB -0.879 17.238 19.000 -1.471 0.000 0.822 85 A HN 0.322 nan 8.150 nan 0.000 0.443 86 N N 0.663 119.268 118.700 -0.158 0.000 2.166 86 N HA -0.089 4.652 4.740 0.001 0.000 0.186 86 N C 1.131 176.587 175.510 -0.090 0.000 1.019 86 N CA 1.364 54.390 53.050 -0.039 0.000 0.856 86 N CB -0.413 38.084 38.487 0.016 0.000 0.993 86 N HN 0.569 nan 8.380 nan 0.000 0.426 87 N N -0.521 118.073 118.700 -0.175 0.000 2.254 87 N HA 0.099 4.840 4.740 0.001 0.000 0.190 87 N C -0.376 175.034 175.510 -0.167 0.000 1.107 87 N CA 0.165 53.033 53.050 -0.303 0.000 0.869 87 N CB 0.494 38.474 38.487 -0.845 0.000 0.983 87 N HN -0.014 nan 8.380 nan 0.000 0.487 88 S N 0.762 116.440 115.700 -0.036 0.000 2.449 88 S HA 0.312 4.783 4.470 0.001 0.000 0.237 88 S C 1.343 176.038 174.600 0.157 0.000 1.214 88 S CA -0.467 57.798 58.200 0.108 0.000 1.226 88 S CB 0.777 64.101 63.200 0.206 0.000 0.904 88 S HN 0.272 nan 8.310 nan 0.000 0.490 89 A N 1.111 123.992 122.820 0.101 0.000 2.024 89 A HA -0.129 4.191 4.320 0.001 0.000 0.220 89 A C 1.620 179.280 177.584 0.127 0.000 1.164 89 A CA 1.311 53.410 52.037 0.102 0.000 0.643 89 A CB -0.700 nan 19.000 nan 0.000 0.806 89 A HN 0.633 nan 8.150 nan 0.000 0.451 90 F N 0.965 120.925 119.950 0.016 0.000 2.161 90 F HA -0.171 4.357 4.527 0.001 0.000 0.300 90 F C 2.108 177.883 175.800 -0.041 0.000 1.089 90 F CA 1.872 59.871 58.000 -0.003 0.000 1.282 90 F CB -0.447 38.562 39.000 0.016 0.000 1.010 90 F HN 0.034 nan 8.300 nan 0.000 0.485 91 V N 0.578 120.332 119.914 -0.266 0.000 2.392 91 V HA -0.301 3.820 4.120 0.001 0.000 0.249 91 V C 2.735 178.699 176.094 -0.216 0.000 1.059 91 V CA 1.802 63.769 62.300 -0.555 0.000 1.051 91 V CB -1.752 29.769 31.823 -0.504 0.000 0.658 91 V HN 0.493 nan 8.190 nan 0.000 0.455 92 A N -0.501 122.305 122.820 -0.023 0.000 1.898 92 A HA -0.137 4.184 4.320 0.001 0.000 0.214 92 A C 2.193 179.669 177.584 -0.179 0.000 1.183 92 A CA 1.281 53.338 52.037 0.033 0.000 0.622 92 A CB -0.370 18.703 19.000 0.122 0.000 0.824 92 A HN 0.572 nan 8.150 nan 0.000 0.444 93 E N -0.668 119.428 120.200 -0.172 0.000 2.077 93 E HA -0.197 4.153 4.350 0.001 0.000 0.193 93 E C 1.863 178.315 176.600 -0.247 0.000 0.989 93 E CA 1.304 57.585 56.400 -0.199 0.000 0.800 93 E CB -0.202 29.470 29.700 -0.045 0.000 0.746 93 E HN 0.485 nan 8.360 nan 0.000 0.452 94 L N 0.513 121.568 121.223 -0.279 0.000 2.179 94 L HA 0.045 4.385 4.340 0.001 0.000 0.208 94 L C 2.100 178.950 176.870 -0.034 0.000 1.096 94 L CA 1.475 56.214 54.840 -0.169 0.000 0.779 94 L CB -0.359 41.491 42.059 -0.348 0.000 0.922 94 L HN -0.015 nan 8.230 nan 0.000 0.443 95 A N -0.528 122.238 122.820 -0.090 0.000 1.969 95 A HA 0.002 4.322 4.320 0.001 0.000 0.218 95 A C 2.421 179.825 177.584 -0.300 0.000 1.169 95 A CA 1.396 53.277 52.037 -0.260 0.000 0.635 95 A CB -0.893 18.072 19.000 -0.057 0.000 0.810 95 A HN 0.517 nan 8.150 nan 0.000 0.445 96 A N -0.656 121.795 122.820 -0.615 0.000 1.898 96 A HA 0.105 4.425 4.320 0.001 0.000 0.216 96 A C 2.137 179.528 177.584 -0.322 0.000 1.181 96 A CA 2.194 53.731 52.037 -0.834 0.000 0.620 96 A CB -0.868 17.484 19.000 -1.079 0.000 0.819 96 A HN 0.703 nan 8.150 nan 0.000 0.442 97 E N -1.070 118.993 120.200 -0.229 0.000 2.230 97 E HA 0.060 4.410 4.350 0.001 0.000 0.192 97 E C 2.017 178.574 176.600 -0.072 0.000 0.987 97 E CA 1.509 57.840 56.400 -0.116 0.000 0.841 97 E CB -0.857 28.794 29.700 -0.081 0.000 0.783 97 E HN 0.798 nan 8.360 nan 0.000 0.481 98 R N -0.456 119.989 120.500 -0.091 0.000 2.312 98 R HA 0.500 4.840 4.340 0.001 0.000 0.205 98 R C 2.083 178.329 176.300 -0.089 0.000 0.904 98 R CA 1.096 57.153 56.100 -0.071 0.000 1.052 98 R CB -0.812 29.462 30.300 -0.042 0.000 1.014 98 R HN 1.447 nan 8.270 nan 0.000 0.503 99 G N -0.644 108.111 108.800 -0.075 0.000 2.246 99 G HA2 0.107 4.067 3.960 0.001 0.000 0.273 99 G HA3 0.107 4.067 3.960 0.001 0.000 0.273 99 G C 0.424 175.364 174.900 0.067 0.000 1.055 99 G CA 0.646 45.754 45.100 0.013 0.000 0.851 99 G HN 1.499 nan 8.290 nan 0.000 0.500 100 A N -0.935 121.817 122.820 -0.113 0.000 2.264 100 A HA 0.850 5.170 4.320 0.001 0.000 0.304 100 A C 0.206 177.729 177.584 -0.102 0.000 1.100 100 A CA -0.344 51.541 52.037 -0.253 0.000 0.839 100 A CB 1.154 19.461 19.000 -1.155 0.000 1.121 100 A HN 1.544 nan 8.150 nan 0.000 0.496 101 L N 1.297 122.306 121.223 -0.356 0.000 2.265 101 L HA 0.499 4.840 4.340 0.001 0.000 0.288 101 L C -0.840 175.924 176.870 -0.176 0.000 1.058 101 L CA 0.008 54.574 54.840 -0.458 0.000 0.809 101 L CB 0.393 41.680 42.059 -1.286 0.000 1.179 101 L HN 0.562 nan 8.230 nan 0.000 0.429 102 L N 6.287 127.516 121.223 0.010 0.000 2.281 102 L HA 0.507 4.847 4.340 0.001 0.000 0.285 102 L C -0.778 176.206 176.870 0.190 0.000 1.074 102 L CA -0.455 54.502 54.840 0.194 0.000 0.817 102 L CB 1.260 43.564 42.059 0.407 0.000 1.168 102 L HN 0.395 nan 8.230 nan 0.000 0.434 103 V N 4.211 124.179 119.914 0.090 0.000 2.577 103 V HA 0.400 4.521 4.120 0.001 0.000 0.303 103 V C -0.735 175.184 176.094 -0.291 0.000 1.042 103 V CA -0.492 61.786 62.300 -0.037 0.000 0.872 103 V CB 1.848 33.626 31.823 -0.076 0.000 0.998 103 V HN 0.393 nan 8.190 nan 0.000 0.423 104 F N 3.141 122.828 119.950 -0.437 0.000 2.382 104 F HA 0.731 5.258 4.527 0.001 0.000 0.361 104 F C 0.606 176.148 175.800 -0.430 0.000 1.109 104 F CA -0.521 57.185 58.000 -0.490 0.000 1.031 104 F CB 1.702 40.328 39.000 -0.623 0.000 1.234 104 F HN 0.589 nan 8.300 nan 0.000 0.445 105 A N 3.489 126.045 122.820 -0.441 0.000 2.301 105 A HA 0.390 4.710 4.320 0.001 0.000 0.298 105 A C -0.219 177.452 177.584 0.145 0.000 1.185 105 A CA -0.501 51.450 52.037 -0.143 0.000 0.830 105 A CB 0.553 19.443 19.000 -0.183 0.000 1.112 105 A HN 0.766 nan 8.150 nan 0.000 0.508 106 E N 1.496 121.852 120.200 0.260 0.000 2.289 106 E HA 0.115 4.465 4.350 0.001 0.000 0.278 106 E C -0.259 176.664 176.600 0.537 0.000 1.032 106 E CA -0.454 56.165 56.400 0.365 0.000 0.854 106 E CB 0.408 30.278 29.700 0.283 0.000 1.046 106 E HN 0.758 nan 8.360 nan 0.000 0.409 107 H N 4.644 124.021 119.070 0.512 0.000 2.764 107 H HA 0.053 4.609 4.556 0.001 0.000 0.341 107 H C -0.187 175.493 175.328 0.587 0.000 1.072 107 H CA -0.214 56.170 56.048 0.560 0.000 1.444 107 H CB 0.483 30.578 29.762 0.556 0.000 1.458 107 H HN 0.574 nan 8.280 nan 0.000 0.572 108 R N 3.489 124.319 120.500 0.550 0.000 2.585 108 R HA -0.057 4.284 4.340 0.001 0.000 0.275 108 R C -0.500 176.156 176.300 0.594 0.000 1.018 108 R CA 0.098 56.476 56.100 0.463 0.000 1.072 108 R CB 0.005 30.458 30.300 0.256 0.000 0.953 108 R HN 0.836 nan 8.270 nan 0.000 0.419 109 Y N -1.408 118.919 120.300 0.044 0.000 4.929 109 Y HA -0.282 4.269 4.550 0.001 0.000 0.252 109 Y C -0.906 174.822 175.900 -0.287 0.000 0.950 109 Y CA 1.100 59.101 58.100 -0.165 0.000 1.935 109 Y CB -2.084 36.206 38.460 -0.284 0.000 1.440 109 Y HN 0.667 nan 8.280 nan 0.000 0.567 110 Y N -0.141 120.375 120.300 0.359 0.000 2.409 110 Y HA 0.587 5.137 4.550 0.001 0.000 0.343 110 Y C 1.178 177.243 175.900 0.276 0.000 0.973 110 Y CA -0.387 57.903 58.100 0.316 0.000 1.064 110 Y CB 1.669 40.343 38.460 0.357 0.000 1.207 110 Y HN 0.153 nan 8.280 nan 0.000 0.452 111 G N 2.649 111.678 108.800 0.383 0.000 2.620 111 G HA2 -0.360 3.600 3.960 0.001 0.000 0.315 111 G HA3 -0.360 3.600 3.960 0.001 0.000 0.315 111 G C 0.780 175.828 174.900 0.247 0.000 1.179 111 G CA 0.819 46.092 45.100 0.289 0.000 0.971 111 G HN 0.639 nan 8.290 nan 0.000 0.544 112 K N 0.459 121.024 120.400 0.275 0.000 2.387 112 K HA 0.382 4.703 4.320 0.001 0.000 0.203 112 K C 0.614 177.422 176.600 0.347 0.000 1.030 112 K CA 0.427 56.892 56.287 0.296 0.000 1.099 112 K CB 0.796 33.525 32.500 0.381 0.000 0.863 112 K HN 0.183 nan 8.250 nan 0.000 0.529 113 S N 1.990 117.892 115.700 0.336 0.000 3.548 113 S HA 0.270 4.740 4.470 0.001 0.000 0.195 113 S C -0.300 174.434 174.600 0.223 0.000 1.432 113 S CA -0.344 58.101 58.200 0.408 0.000 1.087 113 S CB -0.216 63.267 63.200 0.472 0.000 1.337 113 S HN 0.168 nan 8.310 nan 0.000 0.505 114 L N 2.257 123.531 121.223 0.086 0.000 2.264 114 L HA 0.353 4.693 4.340 0.001 0.000 0.287 114 L C -1.839 174.777 176.870 -0.423 0.000 1.039 114 L CA -2.129 52.579 54.840 -0.220 0.000 0.829 114 L CB 1.077 43.075 42.059 -0.101 0.000 1.211 114 L HN 0.100 nan 8.230 nan 0.000 0.427 115 P HA -0.111 nan 4.420 nan 0.000 0.221 115 P C 0.342 176.908 177.300 -1.224 0.000 1.145 115 P CA 1.459 63.766 63.100 -1.323 0.000 0.795 115 P CB 0.100 30.659 31.700 -1.900 0.000 0.775 116 F N -3.148 116.609 119.950 -0.321 0.000 2.825 116 F HA 0.447 4.974 4.527 0.001 0.000 0.322 116 F C 1.526 177.232 175.800 -0.156 0.000 1.127 116 F CA 0.298 58.185 58.000 -0.189 0.000 1.164 116 F CB 0.197 39.111 39.000 -0.144 0.000 1.101 116 F HN -0.060 nan 8.300 nan 0.000 0.529 117 G N 1.529 110.300 108.800 -0.047 0.000 2.496 117 G HA2 -0.141 3.819 3.960 0.001 0.000 0.243 117 G HA3 -0.141 3.819 3.960 0.001 0.000 0.243 117 G C 1.096 175.980 174.900 -0.027 0.000 1.176 117 G CA 0.143 45.226 45.100 -0.029 0.000 0.940 117 G HN 0.493 nan 8.290 nan 0.000 0.573 118 A N -1.132 121.676 122.820 -0.020 0.000 2.014 118 A HA 0.336 4.656 4.320 0.001 0.000 0.218 118 A C 2.808 180.372 177.584 -0.034 0.000 1.163 118 A CA 3.197 55.228 52.037 -0.009 0.000 0.652 118 A CB -1.117 17.883 19.000 -0.001 0.000 0.808 118 A HN 2.223 nan 8.150 nan 0.000 0.449 119 Q N -0.479 119.251 119.800 -0.116 0.000 2.291 119 Q HA -0.118 4.223 4.340 0.001 0.000 0.206 119 Q C 2.174 178.063 176.000 -0.185 0.000 0.976 119 Q CA 1.901 57.529 55.803 -0.292 0.000 0.875 119 Q CB -1.373 26.948 28.738 -0.697 0.000 0.927 119 Q HN 0.694 nan 8.270 nan 0.000 0.450 120 S N 1.021 116.718 115.700 -0.006 0.000 2.400 120 S HA -0.173 4.297 4.470 0.001 0.000 0.234 120 S C 2.080 176.855 174.600 0.292 0.000 1.049 120 S CA 1.976 60.277 58.200 0.167 0.000 1.039 120 S CB -0.437 62.702 63.200 -0.102 0.000 0.856 120 S HN 0.987 nan 8.310 nan 0.000 0.465 121 T N -0.989 113.682 114.554 0.196 0.000 3.163 121 T HA 0.231 4.581 4.350 0.001 0.000 0.252 121 T C 0.314 175.216 174.700 0.336 0.000 1.056 121 T CA -0.280 61.957 62.100 0.228 0.000 0.947 121 T CB 0.122 69.103 68.868 0.188 0.000 1.016 121 T HN 0.046 nan 8.240 nan 0.000 0.554 122 Q N 1.603 121.576 119.800 0.288 0.000 2.226 122 Q HA 0.372 4.712 4.340 0.001 0.000 0.256 122 Q C -0.097 176.149 176.000 0.410 0.000 0.962 122 Q CA -0.716 55.260 55.803 0.288 0.000 0.887 122 Q CB 1.876 30.712 28.738 0.162 0.000 1.282 122 Q HN 0.402 nan 8.270 nan 0.000 0.449 123 R N -0.105 120.566 120.500 0.285 0.000 2.537 123 R HA 0.063 4.404 4.340 0.001 0.000 0.281 123 R C 0.574 176.967 176.300 0.155 0.000 0.988 123 R CA 1.583 57.837 56.100 0.257 0.000 1.077 123 R CB -0.202 30.088 30.300 -0.017 0.000 0.932 123 R HN 0.920 nan 8.270 nan 0.000 0.409 124 G N 3.258 112.106 108.800 0.079 0.000 2.137 124 G HA2 -0.271 3.689 3.960 0.001 0.000 0.237 124 G HA3 -0.271 3.689 3.960 0.001 0.000 0.237 124 G C 0.017 174.647 174.900 -0.449 0.000 1.002 124 G CA 0.535 45.545 45.100 -0.149 0.000 0.702 124 G HN 0.901 nan 8.290 nan 0.000 0.515 125 H N -1.685 117.349 119.070 -0.060 0.000 3.680 125 H HA 0.182 4.738 4.556 0.001 0.000 0.260 125 H C 2.273 177.622 175.328 0.034 0.000 1.183 125 H CA 0.854 56.815 56.048 -0.145 0.000 1.159 125 H CB 0.555 30.262 29.762 -0.092 0.000 1.567 125 H HN 0.409 nan 8.280 nan 0.000 0.648 126 T N -1.994 112.512 114.554 -0.080 0.000 3.113 126 T HA 0.008 4.358 4.350 0.001 0.000 0.256 126 T C 2.032 176.391 174.700 -0.567 0.000 1.131 126 T CA 0.912 62.663 62.100 -0.582 0.000 1.074 126 T CB -0.051 67.977 68.868 -1.400 0.000 0.944 126 T HN 0.455 nan 8.240 nan 0.000 0.516 127 E N 1.899 122.010 120.200 -0.149 0.000 2.253 127 E HA -0.082 4.268 4.350 0.001 0.000 0.202 127 E C 1.898 178.567 176.600 0.116 0.000 1.014 127 E CA 1.546 57.973 56.400 0.045 0.000 0.823 127 E CB -1.117 28.674 29.700 0.152 0.000 0.736 127 E HN 0.777 nan 8.360 nan 0.000 0.478 128 L N -1.085 120.224 121.223 0.143 0.000 2.607 128 L HA 0.278 4.618 4.340 0.001 0.000 0.228 128 L C 0.876 177.802 176.870 0.093 0.000 1.123 128 L CA -0.326 54.635 54.840 0.203 0.000 0.890 128 L CB 0.572 42.780 42.059 0.249 0.000 1.103 128 L HN 0.253 nan 8.230 nan 0.000 0.468 129 L N 2.072 123.098 121.223 -0.328 0.000 2.375 129 L HA 0.274 4.614 4.340 0.001 0.000 0.276 129 L C 0.282 177.179 176.870 0.045 0.000 1.162 129 L CA 0.375 54.981 54.840 -0.390 0.000 0.991 129 L CB -0.221 41.220 42.059 -1.030 0.000 1.315 129 L HN 0.095 nan 8.230 nan 0.000 0.431 130 T N -0.316 114.343 114.554 0.174 0.000 2.865 130 T HA 0.433 4.783 4.350 0.001 0.000 0.294 130 T C 1.002 175.897 174.700 0.325 0.000 1.119 130 T CA -0.466 61.770 62.100 0.225 0.000 1.007 130 T CB 1.191 70.168 68.868 0.181 0.000 1.225 130 T HN -0.057 nan 8.240 nan 0.000 0.515 131 V N 0.947 121.089 119.914 0.379 0.000 2.358 131 V HA -0.075 4.045 4.120 0.001 0.000 0.246 131 V C 2.598 178.925 176.094 0.389 0.000 1.047 131 V CA 1.943 64.510 62.300 0.445 0.000 1.035 131 V CB -1.036 31.069 31.823 0.471 0.000 0.658 131 V HN 0.912 nan 8.190 nan 0.000 0.452 132 E N -0.126 120.327 120.200 0.422 0.000 2.072 132 E HA -0.185 4.165 4.350 0.001 0.000 0.191 132 E C 2.379 179.274 176.600 0.492 0.000 0.985 132 E CA 1.030 57.687 56.400 0.427 0.000 0.801 132 E CB -0.263 29.513 29.700 0.127 0.000 0.750 132 E HN 0.549 nan 8.360 nan 0.000 0.452 133 Q N -0.051 120.019 119.800 0.450 0.000 2.124 133 Q HA -0.082 4.258 4.340 0.001 0.000 0.202 133 Q C 2.266 178.342 176.000 0.128 0.000 0.977 133 Q CA 1.431 57.498 55.803 0.440 0.000 0.850 133 Q CB -0.264 28.727 28.738 0.421 0.000 0.901 133 Q HN 0.313 nan 8.270 nan 0.000 0.429 134 A N 1.032 123.829 122.820 -0.038 0.000 1.898 134 A HA -0.107 4.214 4.320 0.001 0.000 0.216 134 A C 2.219 179.325 177.584 -0.796 0.000 1.181 134 A CA 0.890 52.621 52.037 -0.510 0.000 0.620 134 A CB -0.672 17.856 19.000 -0.787 0.000 0.819 134 A HN 0.275 nan 8.150 nan 0.000 0.442 135 L N -0.812 120.238 121.223 -0.290 0.000 2.131 135 L HA -0.184 4.157 4.340 0.001 0.000 0.210 135 L C 2.999 179.704 176.870 -0.275 0.000 1.092 135 L CA 0.965 55.746 54.840 -0.098 0.000 0.759 135 L CB -0.426 41.796 42.059 0.271 0.000 0.903 135 L HN 0.453 nan 8.230 nan 0.000 0.435 136 A N -0.554 122.111 122.820 -0.259 0.000 1.968 136 A HA -0.170 4.150 4.320 0.001 0.000 0.217 136 A C 1.876 179.032 177.584 -0.713 0.000 1.169 136 A CA 1.431 53.146 52.037 -0.537 0.000 0.638 136 A CB -0.306 18.280 19.000 -0.690 0.000 0.812 136 A HN 0.302 nan 8.150 nan 0.000 0.446 137 D N -0.237 119.853 120.400 -0.516 0.000 2.084 137 D HA -0.125 4.516 4.640 0.001 0.000 0.194 137 D C 1.633 177.834 176.300 -0.165 0.000 0.990 137 D CA 1.218 55.093 54.000 -0.209 0.000 0.826 137 D CB -0.499 40.208 40.800 -0.156 0.000 0.971 137 D HN 0.390 nan 8.370 nan 0.000 0.453 138 F N 1.609 121.473 119.950 -0.144 0.000 2.095 138 F HA -0.124 4.403 4.527 0.001 0.000 0.298 138 F C 2.549 178.043 175.800 -0.510 0.000 1.104 138 F CA 0.612 58.497 58.000 -0.191 0.000 1.232 138 F CB -1.417 37.517 39.000 -0.109 0.000 0.987 138 F HN -0.080 nan 8.300 nan 0.000 0.475 139 A N 0.041 122.596 122.820 -0.441 0.000 1.865 139 A HA -0.204 4.116 4.320 0.001 0.000 0.217 139 A C 2.229 179.560 177.584 -0.422 0.000 1.191 139 A CA 1.901 53.560 52.037 -0.631 0.000 0.623 139 A CB -0.785 17.557 19.000 -1.096 0.000 0.826 139 A HN 0.435 nan 8.150 nan 0.000 0.444 140 E N -0.812 119.209 120.200 -0.299 0.000 2.106 140 E HA -0.151 4.199 4.350 0.001 0.000 0.192 140 E C 1.988 178.422 176.600 -0.277 0.000 0.984 140 E CA 1.110 57.422 56.400 -0.147 0.000 0.806 140 E CB -0.300 29.437 29.700 0.062 0.000 0.750 140 E HN 0.497 nan 8.360 nan 0.000 0.458 141 L N 1.181 122.144 121.223 -0.433 0.000 2.042 141 L HA -0.158 4.183 4.340 0.001 0.000 0.210 141 L C 2.193 178.684 176.870 -0.632 0.000 1.076 141 L CA 1.337 55.665 54.840 -0.852 0.000 0.749 141 L CB -0.459 41.267 42.059 -0.555 0.000 0.893 141 L HN 0.082 nan 8.230 nan 0.000 0.432 142 L N -0.786 120.120 121.223 -0.528 0.000 2.217 142 L HA -0.080 4.261 4.340 0.001 0.000 0.211 142 L C 2.616 179.268 176.870 -0.362 0.000 1.107 142 L CA 1.385 55.916 54.840 -0.516 0.000 0.783 142 L CB -0.574 41.038 42.059 -0.745 0.000 0.919 142 L HN 0.233 nan 8.230 nan 0.000 0.442 143 R N -1.184 119.130 120.500 -0.311 0.000 2.062 143 R HA -0.010 4.330 4.340 0.001 0.000 0.229 143 R C 2.196 178.403 176.300 -0.156 0.000 1.128 143 R CA 1.134 57.117 56.100 -0.194 0.000 0.960 143 R CB -0.444 29.777 30.300 -0.131 0.000 0.855 143 R HN 0.439 nan 8.270 nan 0.000 0.432 144 A N 1.267 123.965 122.820 -0.203 0.000 1.902 144 A HA -0.117 4.204 4.320 0.001 0.000 0.217 144 A C 2.182 179.675 177.584 -0.152 0.000 1.181 144 A CA 1.009 52.965 52.037 -0.135 0.000 0.623 144 A CB -0.539 18.365 19.000 -0.161 0.000 0.818 144 A HN 0.180 nan 8.150 nan 0.000 0.443 145 L N -0.927 120.135 121.223 -0.267 0.000 2.042 145 L HA -0.234 4.106 4.340 0.001 0.000 0.210 145 L C 2.949 179.754 176.870 -0.108 0.000 1.076 145 L CA 1.541 56.255 54.840 -0.210 0.000 0.749 145 L CB -0.442 41.448 42.059 -0.281 0.000 0.893 145 L HN 0.398 nan 8.230 nan 0.000 0.432 146 R N -0.472 119.965 120.500 -0.105 0.000 2.081 146 R HA -0.137 4.204 4.340 0.001 0.000 0.235 146 R C 2.410 178.714 176.300 0.006 0.000 1.131 146 R CA 1.253 57.328 56.100 -0.042 0.000 0.960 146 R CB -0.251 30.015 30.300 -0.057 0.000 0.856 146 R HN 0.422 nan 8.270 nan 0.000 0.436 147 R N 0.405 120.902 120.500 -0.004 0.000 2.057 147 R HA -0.080 4.260 4.340 0.001 0.000 0.229 147 R C 1.854 178.179 176.300 0.042 0.000 1.136 147 R CA 1.443 57.557 56.100 0.022 0.000 0.952 147 R CB -0.292 30.020 30.300 0.021 0.000 0.848 147 R HN 0.161 nan 8.270 nan 0.000 0.430 148 D N 0.921 121.345 120.400 0.039 0.000 2.104 148 D HA -0.127 4.513 4.640 0.001 0.000 0.194 148 D C 1.786 178.138 176.300 0.087 0.000 0.994 148 D CA 1.210 55.249 54.000 0.064 0.000 0.830 148 D CB -0.068 40.775 40.800 0.071 0.000 0.959 148 D HN 0.156 nan 8.370 nan 0.000 0.452 149 L N -0.609 120.672 121.223 0.096 0.000 2.591 149 L HA 0.214 4.555 4.340 0.001 0.000 0.228 149 L C 1.055 178.055 176.870 0.216 0.000 1.133 149 L CA 0.141 55.088 54.840 0.178 0.000 0.880 149 L CB -0.149 42.019 42.059 0.181 0.000 1.033 149 L HN 0.075 nan 8.230 nan 0.000 0.450 150 G N 1.314 110.197 108.800 0.138 0.000 2.350 150 G HA2 -0.196 3.764 3.960 0.001 0.000 0.298 150 G HA3 -0.196 3.764 3.960 0.001 0.000 0.298 150 G C 0.236 175.227 174.900 0.152 0.000 1.037 150 G CA 0.329 45.498 45.100 0.115 0.000 1.074 150 G HN 0.499 nan 8.290 nan 0.000 0.511 151 A N -0.091 122.836 122.820 0.179 0.000 3.355 151 A HA 0.625 4.945 4.320 0.001 0.000 0.290 151 A C 1.044 178.696 177.584 0.113 0.000 0.973 151 A CA 0.272 52.439 52.037 0.217 0.000 0.933 151 A CB 0.340 19.598 19.000 0.430 0.000 1.138 151 A HN 0.480 nan 8.150 nan 0.000 0.490 152 Q N -0.215 119.630 119.800 0.074 0.000 2.435 152 Q HA -0.021 4.319 4.340 0.001 0.000 0.207 152 Q C 1.326 177.347 176.000 0.036 0.000 0.956 152 Q CA 1.298 57.125 55.803 0.040 0.000 0.917 152 Q CB 0.168 28.926 28.738 0.033 0.000 0.997 152 Q HN 0.872 nan 8.270 nan 0.000 0.497 153 D N 0.188 120.621 120.400 0.054 0.000 2.398 153 D HA 0.413 5.053 4.640 0.001 0.000 0.210 153 D C 0.519 176.858 176.300 0.065 0.000 1.094 153 D CA 0.319 54.350 54.000 0.051 0.000 0.839 153 D CB 0.389 41.219 40.800 0.050 0.000 0.963 153 D HN 0.267 nan 8.370 nan 0.000 0.506 154 A N 2.244 125.114 122.820 0.085 0.000 2.438 154 A HA 0.533 4.853 4.320 0.001 0.000 0.280 154 A C -2.235 175.386 177.584 0.062 0.000 1.160 154 A CA -0.895 51.206 52.037 0.106 0.000 0.821 154 A CB -0.029 19.065 19.000 0.156 0.000 1.101 154 A HN 0.263 nan 8.150 nan 0.000 0.515 155 P HA 0.306 nan 4.420 nan 0.000 0.268 155 P C -0.387 176.956 177.300 0.072 0.000 1.205 155 P CA 0.156 63.294 63.100 0.063 0.000 0.771 155 P CB 1.057 32.815 31.700 0.096 0.000 0.858 156 A N 4.003 126.835 122.820 0.020 0.000 2.330 156 A HA 0.682 5.003 4.320 0.001 0.000 0.327 156 A C -0.479 177.115 177.584 0.017 0.000 1.155 156 A CA -0.682 51.370 52.037 0.026 0.000 0.803 156 A CB 0.705 19.649 19.000 -0.093 0.000 1.208 156 A HN 0.385 nan 8.150 nan 0.000 0.477 157 I N 1.806 122.433 120.570 0.096 0.000 2.406 157 I HA 0.502 4.672 4.170 0.001 0.000 0.290 157 I C 0.571 176.579 176.117 -0.183 0.000 0.999 157 I CA -0.387 60.867 61.300 -0.077 0.000 1.124 157 I CB 1.164 39.109 38.000 -0.093 0.000 1.289 157 I HN 0.734 nan 8.210 nan 0.000 0.441 158 A N 6.834 129.442 122.820 -0.354 0.000 2.331 158 A HA 0.778 5.099 4.320 0.001 0.000 0.283 158 A C -1.051 176.158 177.584 -0.625 0.000 1.142 158 A CA -0.113 51.718 52.037 -0.342 0.000 0.812 158 A CB 0.246 19.049 19.000 -0.329 0.000 1.074 158 A HN 0.512 nan 8.150 nan 0.000 0.497 159 F N 0.798 120.475 119.950 -0.456 0.000 2.551 159 F HA 0.707 5.235 4.527 0.001 0.000 0.316 159 F C 0.682 175.921 175.800 -0.935 0.000 1.089 159 F CA -0.058 57.627 58.000 -0.524 0.000 0.915 159 F CB 3.018 41.781 39.000 -0.395 0.000 1.186 159 F HN 0.852 nan 8.300 nan 0.000 0.456 160 G N 0.377 108.783 108.800 -0.657 0.000 2.667 160 G HA2 0.540 4.500 3.960 0.001 0.000 0.294 160 G HA3 0.540 4.500 3.960 0.001 0.000 0.294 160 G C -1.724 172.848 174.900 -0.547 0.000 1.467 160 G CA -0.654 43.880 45.100 -0.944 0.000 0.852 160 G HN 0.904 nan 8.290 nan 0.000 0.521 161 G N -0.561 107.909 108.800 -0.550 0.000 2.482 161 G HA2 0.711 4.671 3.960 0.001 0.000 0.317 161 G HA3 0.711 4.671 3.960 0.001 0.000 0.317 161 G C 0.350 175.006 174.900 -0.406 0.000 1.241 161 G CA 0.906 45.605 45.100 -0.669 0.000 0.967 161 G HN 1.924 nan 8.290 nan 0.000 0.482 162 S N -0.120 115.470 115.700 -0.184 0.000 4.064 162 S HA -0.386 4.084 4.470 0.001 0.000 0.625 162 S C 1.453 175.983 174.600 -0.116 0.000 2.010 162 S CA 1.543 59.736 58.200 -0.013 0.000 4.186 162 S CB -1.683 61.647 63.200 0.217 0.000 0.211 162 S HN 1.760 nan 8.310 nan 0.000 0.605 163 Y N 2.531 122.683 120.300 -0.246 0.000 2.274 163 Y HA 0.099 4.649 4.550 0.001 0.000 0.290 163 Y C 2.232 177.988 175.900 -0.241 0.000 1.145 163 Y CA 2.474 60.447 58.100 -0.213 0.000 1.203 163 Y CB -1.123 37.222 38.460 -0.191 0.000 0.984 163 Y HN 0.508 nan 8.280 nan 0.000 0.533 164 G N -0.420 108.056 108.800 -0.539 0.000 2.422 164 G HA2 -0.197 3.764 3.960 0.001 0.000 0.218 164 G HA3 -0.197 3.764 3.960 0.001 0.000 0.218 164 G C 1.892 176.407 174.900 -0.642 0.000 1.140 164 G CA 0.659 45.351 45.100 -0.679 0.000 0.775 164 G HN 0.610 nan 8.290 nan 0.000 0.545 165 G N 0.810 109.310 108.800 -0.500 0.000 2.402 165 G HA2 -0.166 3.795 3.960 0.001 0.000 0.216 165 G HA3 -0.166 3.795 3.960 0.001 0.000 0.216 165 G C 1.864 176.494 174.900 -0.449 0.000 1.162 165 G CA 0.962 45.809 45.100 -0.422 0.000 0.777 165 G HN 0.418 nan 8.290 nan 0.000 0.539 166 M N -0.035 119.277 119.600 -0.480 0.000 2.086 166 M HA 0.061 4.541 4.480 0.001 0.000 0.261 166 M C 2.556 178.184 176.300 -1.120 0.000 1.067 166 M CA 1.133 55.959 55.300 -0.789 0.000 1.116 166 M CB -0.444 31.774 32.600 -0.637 0.000 1.348 166 M HN 0.112 nan 8.290 nan 0.000 0.407 167 L N -1.058 119.699 121.223 -0.778 0.000 2.127 167 L HA -0.224 4.116 4.340 0.001 0.000 0.211 167 L C 2.691 179.338 176.870 -0.371 0.000 1.089 167 L CA 0.928 55.477 54.840 -0.485 0.000 0.757 167 L CB -0.656 41.189 42.059 -0.356 0.000 0.899 167 L HN 0.307 nan 8.230 nan 0.000 0.434 168 S N -0.596 114.819 115.700 -0.476 0.000 2.345 168 S HA -0.148 4.323 4.470 0.001 0.000 0.220 168 S C 2.142 176.521 174.600 -0.367 0.000 1.031 168 S CA 1.261 59.198 58.200 -0.438 0.000 0.996 168 S CB -0.094 62.799 63.200 -0.510 0.000 0.882 168 S HN 0.470 nan 8.310 nan 0.000 0.445 169 A N 0.512 123.090 122.820 -0.402 0.000 1.898 169 A HA -0.038 4.283 4.320 0.001 0.000 0.216 169 A C 1.978 179.498 177.584 -0.107 0.000 1.181 169 A CA 1.475 53.328 52.037 -0.307 0.000 0.620 169 A CB -0.985 17.856 19.000 -0.266 0.000 0.819 169 A HN 0.616 nan 8.150 nan 0.000 0.442 170 Y N -0.797 119.353 120.300 -0.250 0.000 2.145 170 Y HA -0.138 4.412 4.550 0.001 0.000 0.286 170 Y C 2.240 178.099 175.900 -0.068 0.000 1.145 170 Y CA 0.833 58.793 58.100 -0.233 0.000 1.148 170 Y CB -1.295 36.890 38.460 -0.458 0.000 0.981 170 Y HN 0.302 nan 8.280 nan 0.000 0.507 171 L N 0.334 121.627 121.223 0.116 0.000 2.187 171 L HA -0.184 4.156 4.340 0.001 0.000 0.213 171 L C 2.516 179.437 176.870 0.085 0.000 1.100 171 L CA 1.614 56.547 54.840 0.154 0.000 0.765 171 L CB -0.374 41.696 42.059 0.019 0.000 0.904 171 L HN 0.009 nan 8.230 nan 0.000 0.437 172 R N -0.825 119.644 120.500 -0.052 0.000 2.080 172 R HA -0.014 4.326 4.340 0.001 0.000 0.222 172 R C 2.024 178.296 176.300 -0.047 0.000 1.107 172 R CA 1.726 57.762 56.100 -0.107 0.000 0.980 172 R CB -0.437 29.717 30.300 -0.244 0.000 0.879 172 R HN 0.342 nan 8.270 nan 0.000 0.439 173 M N 0.376 119.937 119.600 -0.065 0.000 2.117 173 M HA -0.094 4.386 4.480 0.001 0.000 0.262 173 M C 1.726 178.036 176.300 0.017 0.000 1.065 173 M CA 1.652 56.894 55.300 -0.096 0.000 1.114 173 M CB -0.025 32.266 32.600 -0.516 0.000 1.361 173 M HN -0.077 nan 8.290 nan 0.000 0.408 174 K N -0.748 119.652 120.400 0.000 0.000 2.211 174 K HA 0.044 4.365 4.320 0.001 0.000 0.201 174 K C -0.038 176.342 176.600 -0.366 0.000 1.052 174 K CA 1.066 57.267 56.287 -0.142 0.000 0.973 174 K CB 0.192 32.623 32.500 -0.115 0.000 0.766 174 K HN 0.376 nan 8.250 nan 0.000 0.466 175 Y N 0.892 121.253 120.300 0.102 0.000 2.470 175 Y HA 0.207 4.757 4.550 0.001 0.000 0.352 175 Y C -1.838 174.108 175.900 0.076 0.000 0.967 175 Y CA -1.778 56.403 58.100 0.136 0.000 1.121 175 Y CB 1.154 39.608 38.460 -0.010 0.000 1.149 175 Y HN -0.018 nan 8.280 nan 0.000 0.641 176 P HA -0.184 nan 4.420 nan 0.000 0.230 176 P C 1.036 178.397 177.300 0.102 0.000 1.158 176 P CA 1.581 64.732 63.100 0.085 0.000 0.769 176 P CB 0.174 31.905 31.700 0.051 0.000 0.807 177 H N -0.717 118.356 119.070 0.006 0.000 2.512 177 H HA 0.147 4.703 4.556 0.001 0.000 0.279 177 H C 1.714 177.035 175.328 -0.012 0.000 0.999 177 H CA 0.411 56.460 56.048 0.001 0.000 1.283 177 H CB -1.036 28.736 29.762 0.018 0.000 1.421 177 H HN 0.156 nan 8.280 nan 0.000 0.554 178 L N 1.184 122.147 121.223 -0.433 0.000 2.354 178 L HA 0.135 4.475 4.340 0.001 0.000 0.212 178 L C 0.402 177.115 176.870 -0.262 0.000 1.091 178 L CA 0.157 54.751 54.840 -0.410 0.000 0.828 178 L CB 0.490 42.237 42.059 -0.520 0.000 0.973 178 L HN 0.108 nan 8.230 nan 0.000 0.461 179 V N -3.983 115.815 119.914 -0.193 0.000 2.577 179 V HA 0.647 4.768 4.120 0.001 0.000 0.303 179 V C 0.634 176.624 176.094 -0.172 0.000 1.042 179 V CA -0.507 61.681 62.300 -0.187 0.000 0.872 179 V CB 1.314 33.000 31.823 -0.227 0.000 0.998 179 V HN 0.021 nan 8.190 nan 0.000 0.423 180 A N 3.403 126.130 122.820 -0.155 0.000 2.066 180 A HA 0.679 4.999 4.320 0.001 0.000 0.218 180 A C 1.266 178.603 177.584 -0.411 0.000 1.157 180 A CA 1.280 53.213 52.037 -0.173 0.000 0.670 180 A CB -0.398 18.576 19.000 -0.042 0.000 0.804 180 A HN 1.951 nan 8.150 nan 0.000 0.453 181 G N -3.260 105.240 108.800 -0.500 0.000 2.495 181 G HA2 0.652 4.612 3.960 0.001 0.000 0.294 181 G HA3 0.652 4.612 3.960 0.001 0.000 0.294 181 G C -1.432 173.055 174.900 -0.688 0.000 1.397 181 G CA 0.080 44.567 45.100 -1.021 0.000 0.790 181 G HN 1.187 nan 8.290 nan 0.000 0.486 182 A N -0.798 121.566 122.820 -0.761 0.000 2.547 182 A HA 0.718 5.039 4.320 0.001 0.000 0.297 182 A C -1.780 175.624 177.584 -0.300 0.000 1.056 182 A CA -0.563 51.189 52.037 -0.475 0.000 0.688 182 A CB 1.933 20.655 19.000 -0.464 0.000 1.282 182 A HN 1.906 nan 8.150 nan 0.000 0.400 183 L N 2.451 123.424 121.223 -0.418 0.000 2.301 183 L HA 0.764 5.104 4.340 0.001 0.000 0.278 183 L C 0.159 176.813 176.870 -0.360 0.000 1.022 183 L CA -0.282 54.366 54.840 -0.319 0.000 0.854 183 L CB 0.900 42.775 42.059 -0.307 0.000 1.226 183 L HN 0.942 nan 8.230 nan 0.000 0.429 184 A N 5.079 127.658 122.820 -0.403 0.000 2.478 184 A HA 0.793 5.114 4.320 0.001 0.000 0.327 184 A C 0.191 177.655 177.584 -0.200 0.000 1.431 184 A CA -0.033 51.768 52.037 -0.393 0.000 1.014 184 A CB -0.147 18.486 19.000 -0.612 0.000 1.143 184 A HN 0.968 nan 8.150 nan 0.000 0.532 185 A N 2.080 124.808 122.820 -0.153 0.000 2.289 185 A HA 0.597 4.918 4.320 0.001 0.000 0.298 185 A C 0.900 178.476 177.584 -0.013 0.000 1.208 185 A CA -0.014 51.998 52.037 -0.042 0.000 0.845 185 A CB -0.238 18.756 19.000 -0.010 0.000 1.125 185 A HN 1.739 nan 8.150 nan 0.000 0.517 186 S N 0.014 115.755 115.700 0.069 0.000 3.550 186 S HA -0.179 4.291 4.470 0.001 0.000 0.372 186 S C 0.419 175.075 174.600 0.093 0.000 0.966 186 S CA 0.750 59.013 58.200 0.104 0.000 1.229 186 S CB -1.536 61.666 63.200 0.003 0.000 0.917 186 S HN 1.956 nan 8.310 nan 0.000 0.496 187 A N 1.915 124.798 122.820 0.105 0.000 2.444 187 A HA 0.568 4.888 4.320 0.001 0.000 0.332 187 A C -1.353 176.307 177.584 0.127 0.000 1.430 187 A CA -1.616 50.461 52.037 0.065 0.000 0.975 187 A CB 0.257 19.283 19.000 0.043 0.000 1.147 187 A HN 0.254 nan 8.150 nan 0.000 0.524 188 P HA 0.035 nan 4.420 nan 0.000 0.238 188 P C 1.319 178.721 177.300 0.170 0.000 1.714 188 P CA 0.144 63.362 63.100 0.196 0.000 0.908 188 P CB -0.468 31.418 31.700 0.310 0.000 1.893 189 V N -1.365 118.622 119.914 0.123 0.000 2.370 189 V HA -0.306 3.815 4.120 0.001 0.000 0.252 189 V C 2.111 178.289 176.094 0.141 0.000 1.068 189 V CA 1.614 63.993 62.300 0.133 0.000 1.061 189 V CB -1.701 30.198 31.823 0.127 0.000 0.656 189 V HN 0.109 nan 8.190 nan 0.000 0.455 190 L N 0.499 121.789 121.223 0.113 0.000 2.023 190 L HA 0.017 4.357 4.340 0.001 0.000 0.205 190 L C 3.122 180.079 176.870 0.146 0.000 1.073 190 L CA 1.642 56.548 54.840 0.111 0.000 0.745 190 L CB -1.166 40.945 42.059 0.087 0.000 0.900 190 L HN 0.418 nan 8.230 nan 0.000 0.435 191 A N 0.685 123.633 122.820 0.213 0.000 1.865 191 A HA -0.192 4.128 4.320 0.001 0.000 0.217 191 A C 2.296 179.977 177.584 0.162 0.000 1.191 191 A CA 2.261 54.452 52.037 0.257 0.000 0.623 191 A CB -1.102 18.216 19.000 0.531 0.000 0.826 191 A HN 0.339 nan 8.150 nan 0.000 0.444 192 V N -2.865 117.166 119.914 0.196 0.000 2.720 192 V HA 0.045 4.165 4.120 0.001 0.000 0.256 192 V C 2.191 178.357 176.094 0.121 0.000 1.082 192 V CA 1.791 64.184 62.300 0.154 0.000 1.101 192 V CB -1.248 30.684 31.823 0.181 0.000 0.693 192 V HN 0.562 nan 8.190 nan 0.000 0.479 193 A N -0.033 122.860 122.820 0.121 0.000 2.275 193 A HA 0.519 4.839 4.320 0.001 0.000 0.212 193 A C 1.950 179.571 177.584 0.062 0.000 1.201 193 A CA 0.789 52.883 52.037 0.096 0.000 0.843 193 A CB -0.595 18.466 19.000 0.101 0.000 0.873 193 A HN 1.742 nan 8.150 nan 0.000 0.492 194 G N -0.838 107.990 108.800 0.046 0.000 2.137 194 G HA2 -0.184 3.777 3.960 0.001 0.000 0.237 194 G HA3 -0.184 3.777 3.960 0.001 0.000 0.237 194 G C -0.112 174.807 174.900 0.032 0.000 1.002 194 G CA 0.272 45.384 45.100 0.020 0.000 0.702 194 G HN 0.479 nan 8.290 nan 0.000 0.515 195 L N -0.211 121.044 121.223 0.054 0.000 2.322 195 L HA 0.779 5.119 4.340 0.001 0.000 0.279 195 L C 1.079 177.999 176.870 0.083 0.000 1.036 195 L CA -0.196 54.681 54.840 0.062 0.000 0.807 195 L CB 1.508 43.606 42.059 0.065 0.000 1.226 195 L HN 1.158 nan 8.230 nan 0.000 0.433 196 G N 0.976 109.824 108.800 0.081 0.000 2.549 196 G HA2 0.068 4.029 3.960 0.001 0.000 0.404 196 G HA3 0.068 4.029 3.960 0.001 0.000 0.404 196 G C -0.930 174.036 174.900 0.109 0.000 1.292 196 G CA -0.348 44.816 45.100 0.106 0.000 0.935 196 G HN 0.894 nan 8.290 nan 0.000 0.512 197 D N -1.041 119.444 120.400 0.142 0.000 2.210 197 D HA 0.789 5.429 4.640 0.001 0.000 0.249 197 D C 1.708 178.146 176.300 0.231 0.000 1.062 197 D CA 0.809 54.898 54.000 0.147 0.000 0.891 197 D CB 1.384 42.257 40.800 0.123 0.000 1.186 197 D HN 1.852 nan 8.370 nan 0.000 0.432 198 S N -0.564 115.257 115.700 0.202 0.000 2.453 198 S HA -0.085 4.385 4.470 0.001 0.000 0.231 198 S C 1.996 176.824 174.600 0.381 0.000 1.005 198 S CA 1.557 59.930 58.200 0.288 0.000 0.949 198 S CB -0.682 62.634 63.200 0.193 0.000 0.774 198 S HN 0.891 nan 8.310 nan 0.000 0.510 199 N N 1.410 120.257 118.700 0.246 0.000 2.250 199 N HA -0.047 4.693 4.740 0.001 0.000 0.181 199 N C 1.918 177.512 175.510 0.140 0.000 1.017 199 N CA 1.091 54.253 53.050 0.186 0.000 0.866 199 N CB -0.976 37.578 38.487 0.113 0.000 0.985 199 N HN 0.595 nan 8.380 nan 0.000 0.429 200 Q N -0.456 119.420 119.800 0.128 0.000 2.028 200 Q HA -0.267 4.073 4.340 0.001 0.000 0.213 200 Q C 1.872 177.775 176.000 -0.162 0.000 1.017 200 Q CA 2.445 58.263 55.803 0.025 0.000 0.875 200 Q CB -0.675 28.125 28.738 0.102 0.000 0.962 200 Q HN 0.683 nan 8.270 nan 0.000 0.413 201 F N 0.259 119.853 119.950 -0.593 0.000 2.065 201 F HA -0.246 4.282 4.527 0.000 0.000 0.298 201 F C 1.997 177.343 175.800 -0.758 0.000 1.112 201 F CA 1.968 59.320 58.000 -1.081 0.000 1.212 201 F CB -0.615 37.024 39.000 -2.268 0.000 0.975 201 F HN 0.122 nan 8.300 nan 0.000 0.476 202 F N 0.083 119.868 119.950 -0.276 0.000 2.502 202 F HA 0.006 4.534 4.527 0.001 0.000 0.298 202 F C 2.504 178.251 175.800 -0.087 0.000 1.111 202 F CA 0.914 58.830 58.000 -0.140 0.000 1.445 202 F CB -0.769 38.269 39.000 0.064 0.000 1.081 202 F HN -0.045 nan 8.300 nan 0.000 0.558 203 R N 0.661 121.148 120.500 -0.023 0.000 2.093 203 R HA -0.102 4.238 4.340 0.001 0.000 0.224 203 R C 1.248 177.472 176.300 -0.125 0.000 1.101 203 R CA 1.531 57.594 56.100 -0.062 0.000 0.979 203 R CB -0.392 29.884 30.300 -0.041 0.000 0.877 203 R HN 0.121 nan 8.270 nan 0.000 0.441 204 D N 0.241 120.509 120.400 -0.219 0.000 2.224 204 D HA -0.071 4.569 4.640 0.001 0.000 0.205 204 D C 1.892 178.040 176.300 -0.253 0.000 0.965 204 D CA 0.693 54.547 54.000 -0.244 0.000 0.852 204 D CB 0.188 40.799 40.800 -0.315 0.000 0.947 204 D HN 0.071 nan 8.370 nan 0.000 0.494 205 V N 0.649 120.389 119.914 -0.290 0.000 2.453 205 V HA -0.172 3.948 4.120 0.001 0.000 0.247 205 V C 2.405 178.575 176.094 0.127 0.000 1.048 205 V CA 1.610 63.867 62.300 -0.072 0.000 1.049 205 V CB -0.705 31.134 31.823 0.026 0.000 0.672 205 V HN 0.191 nan 8.190 nan 0.000 0.457 206 T N 0.800 115.336 114.554 -0.029 0.000 2.701 206 T HA -0.133 4.217 4.350 0.001 0.000 0.263 206 T C 2.123 176.806 174.700 -0.029 0.000 1.040 206 T CA 1.642 63.660 62.100 -0.137 0.000 1.147 206 T CB -0.477 68.230 68.868 -0.268 0.000 0.865 206 T HN 0.546 nan 8.240 nan 0.000 0.426 207 A N 1.974 124.761 122.820 -0.054 0.000 1.978 207 A HA -0.182 4.139 4.320 0.001 0.000 0.220 207 A C 2.076 179.635 177.584 -0.041 0.000 1.170 207 A CA 1.729 53.736 52.037 -0.050 0.000 0.636 207 A CB -0.603 18.357 19.000 -0.067 0.000 0.810 207 A HN 0.371 nan 8.150 nan 0.000 0.448 208 D N -1.034 119.342 120.400 -0.040 0.000 2.117 208 D HA -0.081 4.560 4.640 0.001 0.000 0.198 208 D C 1.505 177.712 176.300 -0.156 0.000 0.982 208 D CA 1.097 55.030 54.000 -0.111 0.000 0.828 208 D CB -0.338 40.369 40.800 -0.156 0.000 0.967 208 D HN 0.541 nan 8.370 nan 0.000 0.464 209 F N 0.712 120.639 119.950 -0.039 0.000 2.367 209 F HA -0.018 4.510 4.527 0.001 0.000 0.298 209 F C 2.416 178.194 175.800 -0.036 0.000 1.094 209 F CA 0.474 58.468 58.000 -0.009 0.000 1.409 209 F CB 0.108 39.131 39.000 0.038 0.000 1.064 209 F HN -0.149 nan 8.300 nan 0.000 0.528 210 E N 0.428 120.678 120.200 0.084 0.000 2.072 210 E HA -0.079 4.271 4.350 0.001 0.000 0.190 210 E C 2.481 179.078 176.600 -0.005 0.000 0.982 210 E CA 1.386 57.797 56.400 0.019 0.000 0.803 210 E CB -0.771 28.919 29.700 -0.017 0.000 0.755 210 E HN 0.225 nan 8.360 nan 0.000 0.453 211 G N -0.146 108.638 108.800 -0.027 0.000 2.479 211 G HA2 -0.309 3.651 3.960 0.001 0.000 0.220 211 G HA3 -0.309 3.651 3.960 0.001 0.000 0.220 211 G C 1.587 176.460 174.900 -0.045 0.000 1.115 211 G CA 1.060 46.135 45.100 -0.042 0.000 0.757 211 G HN 0.304 nan 8.290 nan 0.000 0.560 212 Q N -0.137 119.633 119.800 -0.050 0.000 2.178 212 Q HA 0.213 4.553 4.340 0.001 0.000 0.195 212 Q C 0.743 176.736 176.000 -0.011 0.000 0.960 212 Q CA 1.076 56.849 55.803 -0.049 0.000 0.843 212 Q CB 0.227 28.909 28.738 -0.092 0.000 0.927 212 Q HN 0.245 nan 8.270 nan 0.000 0.487 213 S N -0.851 114.859 115.700 0.017 0.000 2.592 213 S HA 0.456 4.926 4.470 0.001 0.000 0.275 213 S C -2.590 172.025 174.600 0.026 0.000 1.169 213 S CA -1.287 56.927 58.200 0.024 0.000 0.958 213 S CB 1.359 64.582 63.200 0.039 0.000 1.095 213 S HN 0.061 nan 8.310 nan 0.000 0.471 214 P HA 0.120 nan 4.420 nan 0.000 0.222 214 P C 1.454 178.754 177.300 0.001 0.000 1.153 214 P CA 1.060 64.159 63.100 -0.000 0.000 0.798 214 P CB 0.080 31.776 31.700 -0.007 0.000 0.796 215 K N -0.474 119.932 120.400 0.010 0.000 2.167 215 K HA -0.079 4.242 4.320 0.001 0.000 0.203 215 K C 2.143 178.755 176.600 0.020 0.000 1.052 215 K CA 1.421 57.715 56.287 0.011 0.000 0.956 215 K CB -1.778 30.731 32.500 0.013 0.000 0.735 215 K HN 0.190 nan 8.250 nan 0.000 0.451 216 c N 1.295 119.921 118.600 0.042 0.000 2.413 216 c HA -0.168 4.402 4.570 0.001 0.000 0.277 216 c C 3.052 177.168 174.090 0.043 0.000 1.228 216 c CA 2.614 58.988 56.329 0.076 0.000 1.731 216 c CB -0.869 41.730 42.510 0.148 0.000 2.042 216 c HN 0.751 nan 8.230 nan 0.000 0.468 217 T N -1.422 113.139 114.554 0.012 0.000 2.867 217 T HA -0.063 4.287 4.350 0.001 0.000 0.268 217 T C 2.030 176.679 174.700 -0.085 0.000 1.057 217 T CA 2.304 64.362 62.100 -0.070 0.000 1.136 217 T CB -0.785 68.033 68.868 -0.083 0.000 0.874 217 T HN 0.760 nan 8.240 nan 0.000 0.466 218 Q N 1.188 120.960 119.800 -0.046 0.000 2.123 218 Q HA 0.278 4.618 4.340 0.001 0.000 0.199 218 Q C 2.683 178.664 176.000 -0.031 0.000 0.966 218 Q CA 1.588 57.367 55.803 -0.040 0.000 0.845 218 Q CB -1.591 27.132 28.738 -0.024 0.000 0.907 218 Q HN 0.759 nan 8.270 nan 0.000 0.439 219 G N 0.146 108.936 108.800 -0.018 0.000 2.418 219 G HA2 -0.127 3.834 3.960 0.001 0.000 0.217 219 G HA3 -0.127 3.834 3.960 0.001 0.000 0.217 219 G C 1.779 176.662 174.900 -0.030 0.000 1.158 219 G CA 1.362 46.458 45.100 -0.008 0.000 0.771 219 G HN 0.482 nan 8.290 nan 0.000 0.545 220 V N 0.647 120.529 119.914 -0.052 0.000 2.295 220 V HA -0.161 3.959 4.120 0.001 0.000 0.246 220 V C 2.894 178.946 176.094 -0.070 0.000 1.049 220 V CA 1.959 64.193 62.300 -0.111 0.000 1.024 220 V CB -0.526 31.181 31.823 -0.194 0.000 0.648 220 V HN 0.290 nan 8.190 nan 0.000 0.447 221 R N -0.113 120.354 120.500 -0.055 0.000 2.091 221 R HA -0.198 4.142 4.340 0.001 0.000 0.238 221 R C 2.294 178.601 176.300 0.013 0.000 1.136 221 R CA 1.872 57.960 56.100 -0.020 0.000 0.959 221 R CB -0.280 29.977 30.300 -0.072 0.000 0.856 221 R HN 0.650 nan 8.270 nan 0.000 0.437 222 E N -0.019 120.178 120.200 -0.005 0.000 2.152 222 E HA -0.091 4.260 4.350 0.001 0.000 0.192 222 E C 1.978 178.589 176.600 0.018 0.000 0.983 222 E CA 0.820 57.226 56.400 0.010 0.000 0.818 222 E CB 0.004 29.707 29.700 0.005 0.000 0.758 222 E HN 0.335 nan 8.360 nan 0.000 0.467 223 A N 0.913 123.717 122.820 -0.026 0.000 1.873 223 A HA -0.149 4.171 4.320 0.001 0.000 0.215 223 A C 1.813 179.378 177.584 -0.032 0.000 1.186 223 A CA 1.072 53.073 52.037 -0.060 0.000 0.616 223 A CB -0.620 18.283 19.000 -0.162 0.000 0.823 223 A HN 0.140 nan 8.150 nan 0.000 0.442 224 F N -0.289 119.668 119.950 0.013 0.000 2.186 224 F HA -0.023 4.505 4.527 0.000 0.000 0.299 224 F C 2.428 178.245 175.800 0.029 0.000 1.090 224 F CA 1.392 59.381 58.000 -0.018 0.000 1.307 224 F CB -0.357 38.492 39.000 -0.251 0.000 1.019 224 F HN 0.186 nan 8.300 nan 0.000 0.489 225 R N 0.286 120.888 120.500 0.170 0.000 2.075 225 R HA -0.154 4.186 4.340 0.001 0.000 0.232 225 R C 2.118 178.493 176.300 0.125 0.000 1.126 225 R CA 1.444 57.611 56.100 0.113 0.000 0.963 225 R CB -0.279 30.055 30.300 0.057 0.000 0.858 225 R HN 0.316 nan 8.270 nan 0.000 0.435 226 Q N 0.205 120.071 119.800 0.110 0.000 2.084 226 Q HA -0.147 4.193 4.340 0.001 0.000 0.202 226 Q C 2.196 178.280 176.000 0.141 0.000 0.978 226 Q CA 1.751 57.615 55.803 0.103 0.000 0.844 226 Q CB -0.064 28.724 28.738 0.083 0.000 0.898 226 Q HN 0.403 nan 8.270 nan 0.000 0.426 227 I N 0.717 121.399 120.570 0.186 0.000 2.127 227 I HA -0.335 3.836 4.170 0.001 0.000 0.241 227 I C 2.529 178.795 176.117 0.249 0.000 1.075 227 I CA 1.294 62.728 61.300 0.225 0.000 1.334 227 I CB -0.334 37.798 38.000 0.220 0.000 1.040 227 I HN 0.166 nan 8.210 nan 0.000 0.405 228 K N 0.891 121.457 120.400 0.277 0.000 2.032 228 K HA -0.253 4.067 4.320 0.001 0.000 0.209 228 K C 1.704 178.410 176.600 0.177 0.000 1.048 228 K CA 2.176 58.599 56.287 0.227 0.000 0.927 228 K CB -0.107 32.558 32.500 0.275 0.000 0.712 228 K HN 0.224 nan 8.250 nan 0.000 0.441 229 D N 0.756 121.240 120.400 0.141 0.000 2.144 229 D HA -0.142 4.499 4.640 0.001 0.000 0.199 229 D C 1.969 178.310 176.300 0.069 0.000 0.984 229 D CA 0.963 55.017 54.000 0.090 0.000 0.834 229 D CB -0.079 40.762 40.800 0.069 0.000 0.955 229 D HN 0.247 nan 8.370 nan 0.000 0.465 230 L N -0.766 120.510 121.223 0.089 0.000 2.109 230 L HA -0.070 4.271 4.340 0.001 0.000 0.207 230 L C 2.229 179.052 176.870 -0.078 0.000 1.086 230 L CA 0.552 55.401 54.840 0.016 0.000 0.760 230 L CB -0.252 41.834 42.059 0.047 0.000 0.910 230 L HN -0.046 nan 8.230 nan 0.000 0.437 231 F N -0.211 119.659 119.950 -0.133 0.000 2.186 231 F HA -0.223 4.304 4.527 0.000 0.000 0.299 231 F C 2.470 178.149 175.800 -0.201 0.000 1.090 231 F CA 1.480 59.367 58.000 -0.189 0.000 1.307 231 F CB -0.306 38.689 39.000 -0.008 0.000 1.019 231 F HN 0.022 nan 8.300 nan 0.000 0.489 232 L N -0.945 120.327 121.223 0.082 0.000 2.093 232 L HA -0.191 4.150 4.340 0.001 0.000 0.208 232 L C 1.970 178.816 176.870 -0.041 0.000 1.085 232 L CA 2.124 56.988 54.840 0.041 0.000 0.755 232 L CB -1.477 40.618 42.059 0.059 0.000 0.904 232 L HN 0.252 nan 8.230 nan 0.000 0.435 233 Q N -0.484 119.263 119.800 -0.088 0.000 2.378 233 Q HA 0.246 4.586 4.340 0.001 0.000 0.205 233 Q C 1.748 177.630 176.000 -0.197 0.000 0.954 233 Q CA 0.666 56.404 55.803 -0.108 0.000 0.901 233 Q CB 0.095 28.782 28.738 -0.085 0.000 0.981 233 Q HN 0.942 nan 8.270 nan 0.000 0.483 234 G N 0.230 108.785 108.800 -0.408 0.000 2.157 234 G HA2 -0.301 3.659 3.960 0.001 0.000 0.248 234 G HA3 -0.301 3.659 3.960 0.001 0.000 0.248 234 G C 0.388 174.814 174.900 -0.790 0.000 0.979 234 G CA 0.018 44.696 45.100 -0.704 0.000 0.650 234 G HN 0.453 nan 8.290 nan 0.000 0.529 235 A N 0.261 122.748 122.820 -0.554 0.000 3.033 235 A HA 0.625 4.945 4.320 0.001 0.000 0.250 235 A C 1.221 178.606 177.584 -0.333 0.000 1.633 235 A CA 0.540 52.386 52.037 -0.319 0.000 1.290 235 A CB -0.655 18.244 19.000 -0.168 0.000 1.048 235 A HN 0.589 nan 8.150 nan 0.000 0.648 236 Y N -0.275 119.874 120.300 -0.252 0.000 2.224 236 Y HA -0.208 4.342 4.550 0.000 0.000 0.289 236 Y C 1.904 177.698 175.900 -0.177 0.000 1.146 236 Y CA 1.551 59.419 58.100 -0.387 0.000 1.182 236 Y CB -0.255 37.957 38.460 -0.414 0.000 0.983 236 Y HN 0.415 nan 8.280 nan 0.000 0.524 237 D N -0.623 119.814 120.400 0.060 0.000 2.117 237 D HA -0.128 4.513 4.640 0.001 0.000 0.197 237 D C 2.109 178.473 176.300 0.107 0.000 0.987 237 D CA 1.828 55.870 54.000 0.069 0.000 0.829 237 D CB -0.456 40.356 40.800 0.020 0.000 0.961 237 D HN 0.297 nan 8.370 nan 0.000 0.460 238 T N 0.432 115.027 114.554 0.067 0.000 2.684 238 T HA -0.110 4.240 4.350 0.001 0.000 0.267 238 T C 2.260 177.076 174.700 0.194 0.000 1.036 238 T CA 1.211 63.383 62.100 0.120 0.000 1.148 238 T CB -0.422 68.480 68.868 0.057 0.000 0.863 238 T HN -0.012 nan 8.240 nan 0.000 0.436 239 V N 1.608 121.610 119.914 0.148 0.000 2.295 239 V HA -0.174 3.946 4.120 0.001 0.000 0.246 239 V C 2.623 178.874 176.094 0.261 0.000 1.049 239 V CA 1.700 64.125 62.300 0.209 0.000 1.024 239 V CB -0.733 31.227 31.823 0.228 0.000 0.648 239 V HN 0.353 nan 8.190 nan 0.000 0.447 240 R N -0.833 119.801 120.500 0.223 0.000 2.094 240 R HA -0.241 4.100 4.340 0.001 0.000 0.239 240 R C 2.335 178.784 176.300 0.247 0.000 1.137 240 R CA 2.487 58.722 56.100 0.225 0.000 0.943 240 R CB -0.438 29.971 30.300 0.182 0.000 0.850 240 R HN 0.736 nan 8.270 nan 0.000 0.433 241 W N 1.566 122.908 121.300 0.070 0.000 2.353 241 W HA -0.200 4.461 4.660 0.001 0.000 0.319 241 W C 1.659 178.212 176.519 0.058 0.000 1.207 241 W CA 1.311 58.684 57.345 0.047 0.000 1.291 241 W CB -0.099 29.379 29.460 0.031 0.000 1.159 241 W HN 0.158 nan 8.180 nan 0.000 0.478 242 E N -0.011 120.325 120.200 0.227 0.000 2.047 242 E HA -0.203 4.148 4.350 0.001 0.000 0.191 242 E C 1.908 178.575 176.600 0.112 0.000 0.987 242 E CA 1.285 57.764 56.400 0.132 0.000 0.799 242 E CB -1.256 28.569 29.700 0.208 0.000 0.752 242 E HN 0.285 nan 8.360 nan 0.000 0.449 243 F N 0.762 120.754 119.950 0.070 0.000 2.407 243 F HA 0.102 4.630 4.527 0.001 0.000 0.299 243 F C 1.050 176.893 175.800 0.072 0.000 1.097 243 F CA 1.431 59.494 58.000 0.105 0.000 1.422 243 F CB 0.242 39.333 39.000 0.151 0.000 1.067 243 F HN 0.149 nan 8.300 nan 0.000 0.539 244 G N 1.868 110.656 108.800 -0.021 0.000 2.452 244 G HA2 -0.190 3.771 3.960 0.001 0.000 0.275 244 G HA3 -0.190 3.771 3.960 0.001 0.000 0.275 244 G C -0.027 174.801 174.900 -0.121 0.000 1.131 244 G CA 0.182 45.159 45.100 -0.205 0.000 1.031 244 G HN 0.690 nan 8.290 nan 0.000 0.511 245 T N -2.551 112.041 114.554 0.064 0.000 2.875 245 T HA 0.533 4.884 4.350 0.001 0.000 0.284 245 T C 1.674 176.402 174.700 0.046 0.000 0.995 245 T CA -0.021 62.130 62.100 0.085 0.000 1.060 245 T CB 1.890 70.853 68.868 0.159 0.000 0.967 245 T HN 0.486 nan 8.240 nan 0.000 0.476 246 c N 1.645 120.266 118.600 0.035 0.000 2.446 246 c HA 0.012 4.582 4.570 0.001 0.000 0.277 246 c C 1.346 175.473 174.090 0.062 0.000 1.275 246 c CA 0.281 56.634 56.329 0.041 0.000 1.727 246 c CB -1.202 41.335 42.510 0.044 0.000 2.010 246 c HN 0.850 nan 8.230 nan 0.000 0.486 247 Q N 1.814 121.663 119.800 0.081 0.000 2.340 247 Q HA 0.320 4.660 4.340 0.001 0.000 0.249 247 Q C -2.230 173.819 176.000 0.083 0.000 0.957 247 Q CA -1.114 54.740 55.803 0.085 0.000 0.882 247 Q CB 0.060 28.876 28.738 0.130 0.000 1.235 247 Q HN 0.340 nan 8.270 nan 0.000 0.439 248 P HA 0.097 nan 4.420 nan 0.000 0.274 248 P C -1.022 176.296 177.300 0.031 0.000 1.237 248 P CA -0.077 63.047 63.100 0.039 0.000 0.793 248 P CB 0.718 32.422 31.700 0.006 0.000 0.977 249 L N 1.163 122.384 121.223 -0.004 0.000 2.342 249 L HA 0.481 4.821 4.340 0.001 0.000 0.271 249 L C 1.163 177.821 176.870 -0.354 0.000 1.008 249 L CA -0.178 54.637 54.840 -0.041 0.000 0.818 249 L CB 1.921 44.019 42.059 0.065 0.000 1.296 249 L HN 0.527 nan 8.230 nan 0.000 0.427 250 S N -1.787 113.662 115.700 -0.419 0.000 2.786 250 S HA 0.155 4.626 4.470 0.001 0.000 0.269 250 S C -0.255 174.053 174.600 -0.487 0.000 1.040 250 S CA -0.231 57.462 58.200 -0.845 0.000 1.099 250 S CB 0.234 63.145 63.200 -0.482 0.000 0.936 250 S HN 0.691 nan 8.310 nan 0.000 0.450 251 D N 0.641 121.022 120.400 -0.030 0.000 2.687 251 D HA 0.678 5.318 4.640 0.001 0.000 0.264 251 D C 1.197 177.626 176.300 0.216 0.000 1.091 251 D CA -0.005 54.060 54.000 0.110 0.000 1.123 251 D CB 0.300 41.125 40.800 0.042 0.000 1.407 251 D HN 0.095 nan 8.370 nan 0.000 0.591 252 E N 0.084 120.364 120.200 0.134 0.000 2.130 252 E HA -0.274 4.076 4.350 0.001 0.000 0.196 252 E C 1.709 178.322 176.600 0.021 0.000 0.998 252 E CA 2.128 58.562 56.400 0.057 0.000 0.806 252 E CB -0.790 28.944 29.700 0.057 0.000 0.738 252 E HN 0.558 nan 8.360 nan 0.000 0.459 253 K N -0.022 120.425 120.400 0.077 0.000 2.097 253 K HA -0.195 4.126 4.320 0.001 0.000 0.206 253 K C 1.634 178.319 176.600 0.142 0.000 1.049 253 K CA 1.676 58.035 56.287 0.120 0.000 0.933 253 K CB -0.144 32.447 32.500 0.152 0.000 0.717 253 K HN 0.394 nan 8.250 nan 0.000 0.442 254 D N 0.863 121.361 120.400 0.163 0.000 2.149 254 D HA -0.148 4.492 4.640 0.001 0.000 0.201 254 D C 1.936 178.161 176.300 -0.126 0.000 0.972 254 D CA 0.604 54.702 54.000 0.164 0.000 0.835 254 D CB -0.173 40.815 40.800 0.314 0.000 0.966 254 D HN 0.151 nan 8.370 nan 0.000 0.476 255 L N 1.136 122.126 121.223 -0.389 0.000 2.046 255 L HA -0.126 4.214 4.340 0.001 0.000 0.208 255 L C 2.148 178.542 176.870 -0.795 0.000 1.077 255 L CA 1.702 55.901 54.840 -1.070 0.000 0.747 255 L CB -0.871 40.459 42.059 -1.214 0.000 0.896 255 L HN -0.071 nan 8.230 nan 0.000 0.432 256 T N -1.306 113.046 114.554 -0.337 0.000 2.746 256 T HA -0.223 4.127 4.350 0.001 0.000 0.267 256 T C 1.764 176.398 174.700 -0.110 0.000 1.039 256 T CA 1.463 63.489 62.100 -0.122 0.000 1.142 256 T CB -0.204 68.660 68.868 -0.007 0.000 0.866 256 T HN 0.310 nan 8.240 nan 0.000 0.444 257 Q N 0.930 120.628 119.800 -0.170 0.000 2.050 257 Q HA 0.009 4.349 4.340 0.001 0.000 0.202 257 Q C 2.131 178.006 176.000 -0.208 0.000 0.980 257 Q CA 1.336 56.991 55.803 -0.246 0.000 0.840 257 Q CB -0.744 27.615 28.738 -0.632 0.000 0.898 257 Q HN 0.526 nan 8.270 nan 0.000 0.424 258 L N -0.684 120.385 121.223 -0.256 0.000 1.989 258 L HA -0.203 4.138 4.340 0.001 0.000 0.211 258 L C 1.940 178.820 176.870 0.016 0.000 1.071 258 L CA 1.349 56.068 54.840 -0.201 0.000 0.749 258 L CB -0.356 41.482 42.059 -0.368 0.000 0.890 258 L HN 0.268 nan 8.230 nan 0.000 0.431 259 F N -0.445 119.426 119.950 -0.133 0.000 2.065 259 F HA -0.319 4.208 4.527 0.001 0.000 0.298 259 F C 2.611 178.294 175.800 -0.196 0.000 1.112 259 F CA 1.340 59.267 58.000 -0.122 0.000 1.212 259 F CB -1.032 37.833 39.000 -0.225 0.000 0.975 259 F HN 0.133 nan 8.300 nan 0.000 0.476 260 M N -1.297 118.272 119.600 -0.052 0.000 2.159 260 M HA -0.215 4.266 4.480 0.001 0.000 0.263 260 M C 2.328 178.246 176.300 -0.636 0.000 1.063 260 M CA 1.309 56.422 55.300 -0.312 0.000 1.110 260 M CB -1.663 30.837 32.600 -0.167 0.000 1.374 260 M HN 0.196 nan 8.290 nan 0.000 0.411 261 F N 1.155 120.782 119.950 -0.539 0.000 2.075 261 F HA -0.128 4.399 4.527 0.001 0.000 0.297 261 F C 2.373 178.085 175.800 -0.147 0.000 1.113 261 F CA 1.909 59.644 58.000 -0.441 0.000 1.218 261 F CB -0.453 38.362 39.000 -0.308 0.000 0.984 261 F HN 0.111 nan 8.300 nan 0.000 0.472 262 A N 0.828 123.724 122.820 0.127 0.000 1.883 262 A HA -0.241 4.080 4.320 0.001 0.000 0.217 262 A C 2.408 180.163 177.584 0.286 0.000 1.186 262 A CA 1.909 54.098 52.037 0.253 0.000 0.624 262 A CB -1.033 18.255 19.000 0.480 0.000 0.822 262 A HN 0.516 nan 8.150 nan 0.000 0.444 263 R N -0.264 120.316 120.500 0.134 0.000 2.091 263 R HA -0.227 4.113 4.340 0.001 0.000 0.238 263 R C 2.098 178.336 176.300 -0.104 0.000 1.136 263 R CA 1.955 57.955 56.100 -0.167 0.000 0.959 263 R CB -0.430 29.419 30.300 -0.752 0.000 0.856 263 R HN 0.613 nan 8.270 nan 0.000 0.437 264 N N 0.176 118.782 118.700 -0.157 0.000 2.205 264 N HA -0.158 4.583 4.740 0.001 0.000 0.186 264 N C 1.529 177.010 175.510 -0.048 0.000 1.015 264 N CA 1.617 54.638 53.050 -0.048 0.000 0.862 264 N CB -0.149 38.302 38.487 -0.060 0.000 0.986 264 N HN 0.361 nan 8.380 nan 0.000 0.429 265 A N -0.426 122.318 122.820 -0.128 0.000 1.908 265 A HA -0.103 4.217 4.320 0.001 0.000 0.218 265 A C 1.913 179.375 177.584 -0.204 0.000 1.181 265 A CA 1.315 53.182 52.037 -0.284 0.000 0.627 265 A CB -1.071 17.714 19.000 -0.359 0.000 0.818 265 A HN 0.407 nan 8.150 nan 0.000 0.445 266 F N 0.397 120.332 119.950 -0.024 0.000 2.186 266 F HA -0.101 4.426 4.527 0.001 0.000 0.299 266 F C 2.740 178.636 175.800 0.161 0.000 1.090 266 F CA 1.612 59.661 58.000 0.082 0.000 1.307 266 F CB -0.986 38.030 39.000 0.027 0.000 1.019 266 F HN 0.111 nan 8.300 nan 0.000 0.489 267 T N -0.010 114.687 114.554 0.238 0.000 2.684 267 T HA -0.166 4.184 4.350 0.001 0.000 0.267 267 T C 2.234 176.999 174.700 0.109 0.000 1.036 267 T CA 1.564 63.768 62.100 0.174 0.000 1.148 267 T CB -0.658 68.360 68.868 0.250 0.000 0.863 267 T HN 0.015 nan 8.240 nan 0.000 0.436 268 V N 1.722 121.664 119.914 0.048 0.000 2.233 268 V HA -0.161 3.960 4.120 0.001 0.000 0.247 268 V C 2.560 178.642 176.094 -0.019 0.000 1.050 268 V CA 1.692 63.982 62.300 -0.017 0.000 1.010 268 V CB -0.850 30.906 31.823 -0.111 0.000 0.637 268 V HN 0.429 nan 8.190 nan 0.000 0.444 269 L N 0.151 121.378 121.223 0.007 0.000 2.043 269 L HA -0.232 4.108 4.340 0.001 0.000 0.212 269 L C 2.706 179.536 176.870 -0.068 0.000 1.075 269 L CA 1.806 56.648 54.840 0.004 0.000 0.752 269 L CB -0.901 41.245 42.059 0.145 0.000 0.891 269 L HN 0.396 nan 8.230 nan 0.000 0.432 270 A N -0.448 122.380 122.820 0.013 0.000 1.898 270 A HA -0.181 4.139 4.320 0.001 0.000 0.216 270 A C 2.303 179.797 177.584 -0.150 0.000 1.181 270 A CA 1.625 53.602 52.037 -0.100 0.000 0.620 270 A CB -0.410 18.590 19.000 0.001 0.000 0.819 270 A HN 0.332 nan 8.150 nan 0.000 0.442 271 M N -1.171 118.372 119.600 -0.096 0.000 2.156 271 M HA -0.008 4.473 4.480 0.001 0.000 0.264 271 M C 1.146 177.307 176.300 -0.233 0.000 1.067 271 M CA 1.036 56.286 55.300 -0.084 0.000 1.131 271 M CB -0.149 32.446 32.600 -0.008 0.000 1.368 271 M HN 0.242 nan 8.290 nan 0.000 0.416 272 M N -0.415 119.026 119.600 -0.267 0.000 2.571 272 M HA 0.087 4.568 4.480 0.001 0.000 0.235 272 M C -0.219 175.676 176.300 -0.675 0.000 1.216 272 M CA 0.341 55.377 55.300 -0.440 0.000 0.979 272 M CB -1.395 31.171 32.600 -0.057 0.000 1.616 272 M HN -0.033 nan 8.290 nan 0.000 0.469 273 D N 1.369 121.400 120.400 -0.615 0.000 2.662 273 D HA 0.041 4.681 4.640 0.001 0.000 0.228 273 D C -0.896 175.125 176.300 -0.464 0.000 1.093 273 D CA 0.310 54.042 54.000 -0.446 0.000 1.075 273 D CB -0.279 40.325 40.800 -0.327 0.000 1.122 273 D HN 0.088 nan 8.370 nan 0.000 0.475 274 Y N 0.854 121.023 120.300 -0.219 0.000 2.376 274 Y HA 0.303 4.854 4.550 0.001 0.000 0.325 274 Y C -1.077 174.600 175.900 -0.372 0.000 1.199 274 Y CA -2.613 55.275 58.100 -0.353 0.000 1.206 274 Y CB 0.720 38.840 38.460 -0.568 0.000 1.229 274 Y HN 0.137 nan 8.280 nan 0.000 0.480 275 P HA -0.040 nan 4.420 nan 0.000 0.245 275 P C -1.118 176.164 177.300 -0.030 0.000 1.212 275 P CA 1.011 64.070 63.100 -0.067 0.000 0.774 275 P CB -0.115 31.617 31.700 0.053 0.000 0.999 276 Y N -3.174 117.063 120.300 -0.104 0.000 2.644 276 Y HA 0.821 5.372 4.550 0.001 0.000 0.338 276 Y C -3.088 172.748 175.900 -0.106 0.000 1.119 276 Y CA -3.846 54.142 58.100 -0.187 0.000 1.060 276 Y CB -0.502 37.562 38.460 -0.661 0.000 1.294 276 Y HN -0.384 nan 8.280 nan 0.000 0.472 277 P HA 0.290 nan 4.420 nan 0.000 0.275 277 P C -0.529 176.829 177.300 0.097 0.000 1.227 277 P CA -0.017 63.125 63.100 0.070 0.000 0.781 277 P CB 1.207 32.960 31.700 0.087 0.000 0.906 278 T N -1.973 112.614 114.554 0.056 0.000 2.887 278 T HA 0.595 4.946 4.350 0.001 0.000 0.292 278 T C -1.101 173.652 174.700 0.089 0.000 1.087 278 T CA -0.596 61.546 62.100 0.071 0.000 1.009 278 T CB 1.636 70.543 68.868 0.065 0.000 1.203 278 T HN 0.209 nan 8.240 nan 0.000 0.518 279 D N 0.074 120.535 120.400 0.102 0.000 2.846 279 D HA 0.336 4.977 4.640 0.001 0.000 0.279 279 D C -0.570 175.845 176.300 0.192 0.000 1.222 279 D CA -0.595 53.474 54.000 0.115 0.000 0.769 279 D CB 0.203 41.048 40.800 0.074 0.000 1.299 279 D HN 0.317 nan 8.370 nan 0.000 0.537 280 F N 0.806 120.785 119.950 0.048 0.000 2.293 280 F HA 0.314 4.841 4.527 0.001 0.000 0.272 280 F C 1.534 177.355 175.800 0.033 0.000 1.053 280 F CA 0.388 58.421 58.000 0.055 0.000 1.152 280 F CB -0.362 38.711 39.000 0.120 0.000 1.119 280 F HN 0.166 nan 8.300 nan 0.000 0.564 281 L N -0.707 120.581 121.223 0.109 0.000 2.102 281 L HA 0.243 4.584 4.340 0.001 0.000 0.202 281 L C 1.002 177.877 176.870 0.009 0.000 1.076 281 L CA 0.854 55.672 54.840 -0.037 0.000 0.761 281 L CB -0.496 41.514 42.059 -0.082 0.000 0.921 281 L HN 0.279 nan 8.230 nan 0.000 0.444 282 G N -2.043 106.778 108.800 0.034 0.000 2.660 282 G HA2 0.451 4.412 3.960 0.001 0.000 0.290 282 G HA3 0.451 4.412 3.960 0.001 0.000 0.290 282 G C -2.991 171.934 174.900 0.041 0.000 1.432 282 G CA -0.849 44.266 45.100 0.025 0.000 0.807 282 G HN -0.334 nan 8.290 nan 0.000 0.485 283 P HA 0.376 nan 4.420 nan 0.000 0.267 283 P C -0.589 176.725 177.300 0.023 0.000 1.209 283 P CA 0.117 63.239 63.100 0.036 0.000 0.763 283 P CB 0.674 32.391 31.700 0.028 0.000 0.816 284 L N 5.475 126.718 121.223 0.033 0.000 2.388 284 L HA 0.566 4.906 4.340 0.001 0.000 0.264 284 L C -2.184 174.696 176.870 0.016 0.000 0.998 284 L CA -2.371 52.478 54.840 0.016 0.000 0.817 284 L CB 2.932 45.002 42.059 0.017 0.000 1.338 284 L HN 0.218 nan 8.230 nan 0.000 0.414 285 P HA 0.223 nan 4.420 nan 0.000 0.000 285 P C -0.972 176.321 177.300 -0.011 0.000 0.000 285 P CA -0.538 62.566 63.100 0.005 0.000 0.000 285 P CB 0.765 32.467 31.700 0.002 0.000 0.000 286 A N 0.250 123.067 122.820 -0.005 0.000 2.488 286 A HA 0.152 4.472 4.320 0.001 0.000 0.249 286 A C 0.206 177.765 177.584 -0.042 0.000 1.083 286 A CA -0.067 51.956 52.037 -0.024 0.000 0.768 286 A CB -1.686 17.325 19.000 0.018 0.000 1.017 286 A HN 0.697 nan 8.150 nan 0.000 0.496 287 N N 1.083 119.738 118.700 -0.075 0.000 2.641 287 N HA -0.137 4.604 4.740 0.001 0.000 0.267 287 N C -2.393 173.059 175.510 -0.097 0.000 1.087 287 N CA 0.582 53.575 53.050 -0.095 0.000 0.731 287 N CB -0.660 37.783 38.487 -0.073 0.000 0.886 287 N HN 0.552 nan 8.380 nan 0.000 0.547 288 P HA -0.010 nan 4.420 nan 0.000 0.242 288 P C 0.933 178.173 177.300 -0.101 0.000 1.197 288 P CA 0.296 63.344 63.100 -0.086 0.000 0.765 288 P CB 0.450 32.105 31.700 -0.075 0.000 0.936 289 V N -0.079 119.712 119.914 -0.205 0.000 2.446 289 V HA -0.139 3.981 4.120 0.001 0.000 0.244 289 V C 2.746 178.729 176.094 -0.185 0.000 1.039 289 V CA 1.709 63.778 62.300 -0.386 0.000 1.045 289 V CB -0.896 30.488 31.823 -0.732 0.000 0.681 289 V HN 0.139 nan 8.190 nan 0.000 0.459 290 K N -0.050 120.271 120.400 -0.133 0.000 2.026 290 K HA -0.135 4.185 4.320 0.001 0.000 0.208 290 K C 2.119 178.711 176.600 -0.013 0.000 1.048 290 K CA 1.773 58.025 56.287 -0.060 0.000 0.929 290 K CB -0.564 31.901 32.500 -0.058 0.000 0.713 290 K HN 0.412 nan 8.250 nan 0.000 0.439 291 V N 0.495 120.397 119.914 -0.019 0.000 2.332 291 V HA -0.118 4.003 4.120 0.001 0.000 0.248 291 V C 2.709 178.816 176.094 0.022 0.000 1.055 291 V CA 2.222 64.521 62.300 -0.001 0.000 1.038 291 V CB -1.362 30.454 31.823 -0.011 0.000 0.651 291 V HN 0.690 nan 8.190 nan 0.000 0.450 292 G N -1.099 107.728 108.800 0.045 0.000 2.446 292 G HA2 -0.288 3.672 3.960 0.001 0.000 0.217 292 G HA3 -0.288 3.672 3.960 0.001 0.000 0.217 292 G C 1.757 176.731 174.900 0.124 0.000 1.168 292 G CA 1.391 46.545 45.100 0.090 0.000 0.771 292 G HN 0.529 nan 8.290 nan 0.000 0.551 293 c N 0.536 119.240 118.600 0.174 0.000 2.429 293 c HA -0.017 4.553 4.570 0.001 0.000 0.277 293 c C 2.627 176.768 174.090 0.084 0.000 1.262 293 c CA 0.852 57.277 56.329 0.159 0.000 1.733 293 c CB -0.650 41.956 42.510 0.160 0.000 2.010 293 c HN 0.452 nan 8.230 nan 0.000 0.483 294 D N 0.385 120.818 120.400 0.054 0.000 2.097 294 D HA -0.110 4.530 4.640 0.001 0.000 0.195 294 D C 2.372 178.691 176.300 0.031 0.000 0.989 294 D CA 1.163 55.184 54.000 0.034 0.000 0.827 294 D CB -0.447 40.366 40.800 0.021 0.000 0.966 294 D HN 0.499 nan 8.370 nan 0.000 0.456 295 R N 0.045 120.563 120.500 0.030 0.000 2.081 295 R HA -0.059 4.282 4.340 0.001 0.000 0.235 295 R C 2.480 178.796 176.300 0.027 0.000 1.131 295 R CA 0.552 56.665 56.100 0.022 0.000 0.960 295 R CB -0.415 29.893 30.300 0.014 0.000 0.856 295 R HN 0.193 nan 8.270 nan 0.000 0.436 296 L N 0.668 121.914 121.223 0.038 0.000 2.044 296 L HA -0.110 4.230 4.340 0.001 0.000 0.205 296 L C 1.967 178.860 176.870 0.039 0.000 1.075 296 L CA 1.274 56.139 54.840 0.042 0.000 0.747 296 L CB -0.047 42.047 42.059 0.058 0.000 0.903 296 L HN 0.141 nan 8.230 nan 0.000 0.435 297 L N -0.550 120.698 121.223 0.041 0.000 2.376 297 L HA -0.117 4.224 4.340 0.001 0.000 0.219 297 L C 2.663 179.548 176.870 0.027 0.000 1.133 297 L CA 0.968 55.829 54.840 0.034 0.000 0.816 297 L CB -0.497 41.583 42.059 0.035 0.000 0.933 297 L HN 0.436 nan 8.230 nan 0.000 0.449 298 S N -1.564 114.151 115.700 0.025 0.000 2.387 298 S HA -0.033 4.438 4.470 0.001 0.000 0.226 298 S C 0.940 175.552 174.600 0.020 0.000 1.026 298 S CA 0.182 58.394 58.200 0.020 0.000 0.972 298 S CB -0.154 63.056 63.200 0.017 0.000 0.814 298 S HN 0.238 nan 8.310 nan 0.000 0.477 299 E N 1.280 121.493 120.200 0.022 0.000 2.383 299 E HA 0.434 4.785 4.350 0.001 0.000 0.264 299 E C 1.194 177.809 176.600 0.026 0.000 1.050 299 E CA 0.425 56.840 56.400 0.024 0.000 0.896 299 E CB 1.041 30.757 29.700 0.027 0.000 0.982 299 E HN 0.372 nan 8.360 nan 0.000 0.424 300 A N 3.578 126.414 122.820 0.027 0.000 1.897 300 A HA -0.149 4.172 4.320 0.001 0.000 0.215 300 A C 0.739 178.344 177.584 0.034 0.000 1.181 300 A CA 1.120 53.174 52.037 0.029 0.000 0.620 300 A CB 0.020 19.038 19.000 0.029 0.000 0.821 300 A HN 0.512 nan 8.150 nan 0.000 0.443 301 Q N -0.786 119.039 119.800 0.042 0.000 2.241 301 Q HA 0.438 4.779 4.340 0.001 0.000 0.254 301 Q C 0.785 176.818 176.000 0.054 0.000 0.917 301 Q CA -0.572 55.262 55.803 0.052 0.000 0.919 301 Q CB 1.250 30.028 28.738 0.066 0.000 1.237 301 Q HN 0.221 nan 8.270 nan 0.000 0.434 302 R N 1.710 122.242 120.500 0.053 0.000 2.115 302 R HA -0.053 4.287 4.340 0.001 0.000 0.230 302 R C 1.438 177.779 176.300 0.068 0.000 1.111 302 R CA 1.168 57.296 56.100 0.046 0.000 0.976 302 R CB -0.350 29.968 30.300 0.031 0.000 0.870 302 R HN 0.715 nan 8.270 nan 0.000 0.445 303 I N 0.257 120.889 120.570 0.103 0.000 2.252 303 I HA -0.217 3.954 4.170 0.001 0.000 0.245 303 I C 2.023 178.264 176.117 0.207 0.000 1.102 303 I CA 1.395 62.803 61.300 0.180 0.000 1.385 303 I CB -0.425 37.694 38.000 0.198 0.000 1.064 303 I HN 0.073 nan 8.210 nan 0.000 0.414 304 T N 0.262 114.888 114.554 0.121 0.000 2.833 304 T HA -0.097 4.253 4.350 0.001 0.000 0.269 304 T C 1.955 176.688 174.700 0.055 0.000 1.054 304 T CA 1.346 63.486 62.100 0.066 0.000 1.135 304 T CB -0.652 68.239 68.868 0.039 0.000 0.869 304 T HN 0.583 nan 8.240 nan 0.000 0.466 305 G N 1.132 109.970 108.800 0.064 0.000 2.408 305 G HA2 -0.093 3.867 3.960 0.001 0.000 0.217 305 G HA3 -0.093 3.867 3.960 0.001 0.000 0.217 305 G C 1.474 176.410 174.900 0.059 0.000 1.150 305 G CA 0.403 45.533 45.100 0.050 0.000 0.776 305 G HN 0.413 nan 8.290 nan 0.000 0.542 306 L N 0.464 121.748 121.223 0.101 0.000 2.109 306 L HA 0.192 4.532 4.340 0.001 0.000 0.207 306 L C 2.749 179.732 176.870 0.188 0.000 1.086 306 L CA 1.674 56.599 54.840 0.141 0.000 0.760 306 L CB -0.360 41.789 42.059 0.150 0.000 0.910 306 L HN 0.246 nan 8.230 nan 0.000 0.437 307 R N -0.395 120.184 120.500 0.133 0.000 2.081 307 R HA -0.154 4.186 4.340 0.001 0.000 0.235 307 R C 2.078 178.398 176.300 0.034 0.000 1.131 307 R CA 1.483 57.533 56.100 -0.082 0.000 0.960 307 R CB -0.398 29.797 30.300 -0.175 0.000 0.856 307 R HN 0.424 nan 8.270 nan 0.000 0.436 308 A N 1.208 124.040 122.820 0.021 0.000 1.969 308 A HA -0.097 4.223 4.320 0.001 0.000 0.218 308 A C 2.117 179.707 177.584 0.011 0.000 1.169 308 A CA 1.033 53.080 52.037 0.017 0.000 0.635 308 A CB -0.466 18.538 19.000 0.007 0.000 0.810 308 A HN 0.464 nan 8.150 nan 0.000 0.445 309 L N -0.564 120.651 121.223 -0.014 0.000 2.005 309 L HA -0.059 4.281 4.340 0.001 0.000 0.207 309 L C 2.752 179.543 176.870 -0.130 0.000 1.072 309 L CA 1.632 56.420 54.840 -0.087 0.000 0.744 309 L CB -0.399 41.563 42.059 -0.162 0.000 0.895 309 L HN 0.328 nan 8.230 nan 0.000 0.433 310 A N -0.157 122.599 122.820 -0.106 0.000 2.024 310 A HA -0.160 4.161 4.320 0.001 0.000 0.220 310 A C 2.243 179.834 177.584 0.011 0.000 1.164 310 A CA 1.498 53.473 52.037 -0.103 0.000 0.643 310 A CB -1.534 17.398 19.000 -0.113 0.000 0.806 310 A HN 0.598 nan 8.150 nan 0.000 0.451 311 G N -0.406 108.465 108.800 0.119 0.000 2.470 311 G HA2 -0.136 3.824 3.960 0.001 0.000 0.220 311 G HA3 -0.136 3.824 3.960 0.001 0.000 0.220 311 G C 1.422 176.357 174.900 0.058 0.000 1.121 311 G CA 0.936 46.143 45.100 0.179 0.000 0.766 311 G HN 0.475 nan 8.290 nan 0.000 0.553 312 L N -0.103 121.108 121.223 -0.019 0.000 2.217 312 L HA 0.001 4.341 4.340 0.001 0.000 0.211 312 L C 2.627 179.440 176.870 -0.096 0.000 1.107 312 L CA 0.248 55.059 54.840 -0.048 0.000 0.783 312 L CB 0.056 42.078 42.059 -0.062 0.000 0.919 312 L HN 0.139 nan 8.230 nan 0.000 0.442 313 V N -2.335 117.466 119.914 -0.189 0.000 2.581 313 V HA -0.126 3.995 4.120 0.001 0.000 0.240 313 V C 1.324 177.188 176.094 -0.382 0.000 1.054 313 V CA 0.977 63.046 62.300 -0.386 0.000 1.076 313 V CB -0.230 31.189 31.823 -0.674 0.000 0.748 313 V HN 0.280 nan 8.190 nan 0.000 0.474 314 Y N -0.707 119.563 120.300 -0.051 0.000 2.467 314 Y HA 0.376 4.927 4.550 0.001 0.000 0.250 314 Y C 1.295 177.304 175.900 0.182 0.000 1.155 314 Y CA 0.031 58.168 58.100 0.062 0.000 1.249 314 Y CB 0.258 38.743 38.460 0.041 0.000 1.146 314 Y HN 0.269 nan 8.280 nan 0.000 0.524 315 N N -0.042 118.811 118.700 0.256 0.000 2.598 315 N HA 0.294 5.035 4.740 0.001 0.000 0.295 315 N C 0.890 176.443 175.510 0.072 0.000 1.729 315 N CA 0.496 53.648 53.050 0.170 0.000 0.877 315 N CB 0.139 38.736 38.487 0.183 0.000 1.405 315 N HN 0.110 nan 8.380 nan 0.000 0.491 316 A N -0.223 122.626 122.820 0.047 0.000 1.892 316 A HA -0.200 4.121 4.320 0.001 0.000 0.218 316 A C 2.122 179.714 177.584 0.013 0.000 1.188 316 A CA 2.383 54.431 52.037 0.019 0.000 0.631 316 A CB -0.775 18.231 19.000 0.011 0.000 0.822 316 A HN 0.509 nan 8.150 nan 0.000 0.447 317 S N -1.927 113.781 115.700 0.012 0.000 2.489 317 S HA 0.316 4.786 4.470 0.001 0.000 0.228 317 S C 1.560 176.149 174.600 -0.017 0.000 0.995 317 S CA 1.195 59.395 58.200 -0.001 0.000 0.934 317 S CB -0.530 62.669 63.200 -0.002 0.000 0.771 317 S HN 2.048 nan 8.310 nan 0.000 0.522 318 G N 0.436 109.223 108.800 -0.022 0.000 2.153 318 G HA2 -0.278 3.683 3.960 0.001 0.000 0.252 318 G HA3 -0.278 3.683 3.960 0.001 0.000 0.252 318 G C 0.772 175.613 174.900 -0.098 0.000 0.994 318 G CA 0.500 45.571 45.100 -0.048 0.000 0.698 318 G HN 0.585 nan 8.290 nan 0.000 0.521 319 S N -0.101 115.535 115.700 -0.107 0.000 2.486 319 S HA 0.136 4.606 4.470 0.001 0.000 0.220 319 S C 0.825 175.238 174.600 -0.312 0.000 1.011 319 S CA 0.202 58.291 58.200 -0.184 0.000 0.921 319 S CB 0.185 63.321 63.200 -0.106 0.000 0.785 319 S HN 0.562 nan 8.310 nan 0.000 0.517 320 E N 1.542 121.624 120.200 -0.198 0.000 2.166 320 E HA 0.123 4.473 4.350 0.001 0.000 0.279 320 E C 0.056 176.497 176.600 -0.265 0.000 1.095 320 E CA 0.081 56.374 56.400 -0.178 0.000 0.888 320 E CB 0.399 30.088 29.700 -0.018 0.000 1.041 320 E HN 0.507 nan 8.360 nan 0.000 0.414 321 H N 0.575 119.582 119.070 -0.105 0.000 2.423 321 H HA -0.051 4.506 4.556 0.001 0.000 0.297 321 H C 0.842 176.026 175.328 -0.240 0.000 1.075 321 H CA 1.273 57.230 56.048 -0.151 0.000 1.342 321 H CB 0.326 30.027 29.762 -0.102 0.000 1.395 321 H HN 0.632 nan 8.280 nan 0.000 0.530 322 c N -2.192 116.335 118.600 -0.122 0.000 3.241 322 c HA 0.497 5.068 4.570 0.001 0.000 0.312 322 c C -1.354 172.619 174.090 -0.195 0.000 1.350 322 c CA -1.563 54.628 56.329 -0.229 0.000 1.415 322 c CB 0.564 43.013 42.510 -0.101 0.000 1.770 322 c HN 0.106 nan 8.230 nan 0.000 0.466 323 Y N 0.723 120.957 120.300 -0.111 0.000 2.404 323 Y HA 0.367 4.917 4.550 0.000 0.000 0.344 323 Y C 0.661 176.429 175.900 -0.219 0.000 0.970 323 Y CA -0.219 57.764 58.100 -0.194 0.000 1.180 323 Y CB 0.418 38.646 38.460 -0.387 0.000 1.138 323 Y HN 0.719 nan 8.280 nan 0.000 0.510 324 D N 5.200 125.616 120.400 0.027 0.000 2.551 324 D HA 0.029 4.670 4.640 0.001 0.000 0.223 324 D C 1.456 177.712 176.300 -0.074 0.000 1.144 324 D CA 0.019 54.033 54.000 0.023 0.000 1.025 324 D CB 0.007 40.858 40.800 0.086 0.000 1.085 324 D HN 0.731 nan 8.370 nan 0.000 0.506 325 I N -0.294 120.111 120.570 -0.275 0.000 2.381 325 I HA -0.316 3.854 4.170 0.001 0.000 0.255 325 I C 1.042 177.017 176.117 -0.237 0.000 1.140 325 I CA 1.289 62.265 61.300 -0.540 0.000 1.404 325 I CB -0.476 37.139 38.000 -0.641 0.000 1.075 325 I HN 0.142 nan 8.210 nan 0.000 0.433 326 Y N 1.157 121.462 120.300 0.008 0.000 2.347 326 Y HA 0.075 4.626 4.550 0.001 0.000 0.294 326 Y C 3.143 179.129 175.900 0.142 0.000 1.117 326 Y CA 1.904 60.070 58.100 0.111 0.000 1.184 326 Y CB -0.476 38.048 38.460 0.105 0.000 1.047 326 Y HN 0.162 nan 8.280 nan 0.000 0.546 327 R N 0.486 121.126 120.500 0.233 0.000 2.093 327 R HA 0.083 4.423 4.340 0.001 0.000 0.224 327 R C 1.854 178.147 176.300 -0.012 0.000 1.101 327 R CA 1.390 57.603 56.100 0.188 0.000 0.979 327 R CB -1.525 28.886 30.300 0.184 0.000 0.877 327 R HN 0.418 nan 8.270 nan 0.000 0.441 328 L N -1.655 119.602 121.223 0.057 0.000 2.313 328 L HA 0.185 4.525 4.340 0.001 0.000 0.214 328 L C 0.458 177.439 176.870 0.185 0.000 1.119 328 L CA 0.687 55.618 54.840 0.152 0.000 0.809 328 L CB 0.085 42.301 42.059 0.263 0.000 0.933 328 L HN 0.497 nan 8.230 nan 0.000 0.449 329 Y N -0.531 119.742 120.300 -0.046 0.000 2.396 329 Y HA 0.359 4.909 4.550 0.000 0.000 0.332 329 Y C -0.895 174.974 175.900 -0.051 0.000 1.034 329 Y CA -0.941 57.158 58.100 -0.001 0.000 1.057 329 Y CB 1.051 39.609 38.460 0.164 0.000 1.220 329 Y HN 0.005 nan 8.280 nan 0.000 0.440 330 H N 3.148 122.072 119.070 -0.244 0.000 2.685 330 H HA 0.384 4.941 4.556 0.001 0.000 0.307 330 H C -0.384 174.790 175.328 -0.256 0.000 1.017 330 H CA -0.918 55.075 56.048 -0.092 0.000 1.237 330 H CB 1.216 30.991 29.762 0.022 0.000 1.409 330 H HN 0.533 nan 8.280 nan 0.000 0.488 331 S N 2.881 118.617 115.700 0.059 0.000 2.525 331 S HA 0.121 4.592 4.470 0.001 0.000 0.285 331 S C 0.472 175.036 174.600 -0.060 0.000 1.283 331 S CA -0.370 57.863 58.200 0.055 0.000 1.072 331 S CB -0.254 63.067 63.200 0.201 0.000 0.867 331 S HN 0.754 nan 8.310 nan 0.000 0.492 332 c N 1.124 119.621 118.600 -0.171 0.000 3.308 332 c HA 0.913 5.483 4.570 0.001 0.000 0.360 332 c C 1.568 175.433 174.090 -0.375 0.000 1.695 332 c CA -0.429 55.705 56.329 -0.326 0.000 1.366 332 c CB 0.740 43.283 42.510 0.053 0.000 2.121 332 c HN 0.754 nan 8.230 nan 0.000 0.442 333 A N -0.324 122.391 122.820 -0.175 0.000 2.239 333 A HA 0.169 4.489 4.320 0.001 0.000 0.209 333 A C 0.489 178.089 177.584 0.027 0.000 1.171 333 A CA 1.569 53.660 52.037 0.090 0.000 0.768 333 A CB -0.681 18.456 19.000 0.230 0.000 0.790 333 A HN 0.857 nan 8.150 nan 0.000 0.478 334 D N -0.591 119.792 120.400 -0.030 0.000 2.461 334 D HA 0.280 4.920 4.640 0.001 0.000 0.240 334 D C -1.919 174.344 176.300 -0.060 0.000 1.094 334 D CA -2.157 51.845 54.000 0.004 0.000 0.868 334 D CB 1.556 42.536 40.800 0.300 0.000 1.062 334 D HN 0.030 nan 8.370 nan 0.000 0.530 335 P HA -0.085 nan 4.420 nan 0.000 0.230 335 P C 1.053 178.483 177.300 0.217 0.000 1.158 335 P CA 0.779 63.824 63.100 -0.091 0.000 0.769 335 P CB 0.007 31.548 31.700 -0.264 0.000 0.807 336 T N -4.053 110.597 114.554 0.159 0.000 3.113 336 T HA 0.351 4.702 4.350 0.001 0.000 0.256 336 T C 0.930 175.775 174.700 0.242 0.000 1.131 336 T CA 0.366 62.554 62.100 0.147 0.000 1.074 336 T CB -0.805 67.954 68.868 -0.181 0.000 0.944 336 T HN 0.306 nan 8.240 nan 0.000 0.516 337 G N -0.941 108.009 108.800 0.250 0.000 3.067 337 G HA2 -0.082 3.879 3.960 0.001 0.000 0.686 337 G HA3 -0.082 3.879 3.960 0.001 0.000 0.686 337 G C 0.286 175.274 174.900 0.147 0.000 1.119 337 G CA -0.634 44.594 45.100 0.214 0.000 0.790 337 G HN 0.337 nan 8.290 nan 0.000 0.605 338 c N 1.851 120.520 118.600 0.115 0.000 2.551 338 c HA 0.685 5.255 4.570 0.001 0.000 0.277 338 c C 2.248 176.421 174.090 0.138 0.000 1.349 338 c CA 1.477 57.940 56.329 0.223 0.000 1.750 338 c CB -1.122 41.566 42.510 0.297 0.000 2.058 338 c HN 2.589 nan 8.230 nan 0.000 0.518 339 G N 0.858 109.701 108.800 0.072 0.000 2.508 339 G HA2 0.014 3.974 3.960 0.001 0.000 0.220 339 G HA3 0.014 3.974 3.960 0.001 0.000 0.220 339 G C -0.221 174.758 174.900 0.133 0.000 1.287 339 G CA 0.058 45.208 45.100 0.083 0.000 0.916 339 G HN 0.845 nan 8.290 nan 0.000 0.574 340 T N -2.394 112.259 114.554 0.165 0.000 2.906 340 T HA 0.924 5.274 4.350 0.001 0.000 0.295 340 T C 0.945 175.786 174.700 0.235 0.000 1.075 340 T CA 0.828 63.077 62.100 0.249 0.000 1.005 340 T CB 1.591 70.568 68.868 0.182 0.000 1.136 340 T HN 2.993 nan 8.240 nan 0.000 0.498 341 G N 2.229 111.182 108.800 0.254 0.000 2.660 341 G HA2 -0.076 3.885 3.960 0.001 0.000 0.215 341 G HA3 -0.076 3.885 3.960 0.001 0.000 0.215 341 G C -1.900 173.125 174.900 0.209 0.000 1.345 341 G CA -0.239 44.982 45.100 0.202 0.000 0.877 341 G HN 0.726 nan 8.290 nan 0.000 0.549 342 P HA -0.041 nan 4.420 nan 0.000 0.216 342 P C 0.989 178.421 177.300 0.220 0.000 1.150 342 P CA 1.920 65.133 63.100 0.189 0.000 0.837 342 P CB -0.080 31.713 31.700 0.155 0.000 0.786 343 D N -0.043 120.518 120.400 0.268 0.000 2.178 343 D HA -0.069 4.572 4.640 0.001 0.000 0.202 343 D C 2.085 178.639 176.300 0.424 0.000 0.974 343 D CA 1.352 55.592 54.000 0.401 0.000 0.841 343 D CB -0.579 40.464 40.800 0.404 0.000 0.953 343 D HN 0.146 nan 8.370 nan 0.000 0.478 344 A N 0.997 124.016 122.820 0.333 0.000 1.929 344 A HA -0.128 4.192 4.320 0.001 0.000 0.216 344 A C 2.179 179.994 177.584 0.386 0.000 1.176 344 A CA 0.841 53.089 52.037 0.353 0.000 0.628 344 A CB -0.235 18.947 19.000 0.303 0.000 0.816 344 A HN 0.090 nan 8.150 nan 0.000 0.444 345 R N -0.450 120.265 120.500 0.358 0.000 2.066 345 R HA -0.033 4.307 4.340 0.001 0.000 0.232 345 R C 2.521 178.961 176.300 0.234 0.000 1.131 345 R CA 1.173 57.544 56.100 0.452 0.000 0.955 345 R CB -0.503 30.088 30.300 0.485 0.000 0.851 345 R HN 0.483 nan 8.270 nan 0.000 0.432 346 A N 1.328 124.211 122.820 0.104 0.000 1.902 346 A HA -0.201 4.119 4.320 0.001 0.000 0.217 346 A C 1.906 179.510 177.584 0.034 0.000 1.181 346 A CA 1.094 53.058 52.037 -0.122 0.000 0.623 346 A CB -0.953 17.790 19.000 -0.427 0.000 0.818 346 A HN 0.622 nan 8.150 nan 0.000 0.443 347 W N 0.919 122.309 121.300 0.151 0.000 2.381 347 W HA -0.174 4.486 4.660 0.001 0.000 0.301 347 W C 1.547 178.101 176.519 0.058 0.000 1.205 347 W CA 2.066 59.493 57.345 0.137 0.000 1.285 347 W CB -0.315 29.236 29.460 0.152 0.000 1.133 347 W HN 0.533 nan 8.180 nan 0.000 0.521 348 D N -0.481 119.966 120.400 0.078 0.000 2.149 348 D HA -0.297 4.343 4.640 0.001 0.000 0.198 348 D C 1.983 178.214 176.300 -0.116 0.000 0.990 348 D CA 1.635 55.697 54.000 0.104 0.000 0.839 348 D CB -0.886 40.200 40.800 0.476 0.000 0.948 348 D HN 0.214 nan 8.370 nan 0.000 0.460 349 Y N 0.882 120.861 120.300 -0.535 0.000 2.181 349 Y HA -0.147 4.404 4.550 0.001 0.000 0.288 349 Y C 2.315 177.887 175.900 -0.546 0.000 1.146 349 Y CA 1.819 59.390 58.100 -0.882 0.000 1.164 349 Y CB -0.210 37.499 38.460 -1.252 0.000 0.982 349 Y HN 0.046 nan 8.280 nan 0.000 0.515 350 Q N -0.464 119.034 119.800 -0.503 0.000 2.124 350 Q HA -0.177 4.163 4.340 0.001 0.000 0.202 350 Q C 2.376 178.003 176.000 -0.620 0.000 0.977 350 Q CA 1.318 56.780 55.803 -0.568 0.000 0.850 350 Q CB -0.344 27.986 28.738 -0.680 0.000 0.901 350 Q HN 0.596 nan 8.270 nan 0.000 0.429 351 A N -0.478 121.915 122.820 -0.712 0.000 2.168 351 A HA -0.106 4.214 4.320 0.001 0.000 0.215 351 A C 1.915 179.381 177.584 -0.197 0.000 1.152 351 A CA 0.669 52.439 52.037 -0.445 0.000 0.716 351 A CB -0.285 18.474 19.000 -0.402 0.000 0.794 351 A HN 0.426 nan 8.150 nan 0.000 0.465 352 c N -1.155 117.288 118.600 -0.261 0.000 2.799 352 c HA 0.180 4.750 4.570 0.001 0.000 0.267 352 c C 2.475 176.406 174.090 -0.264 0.000 1.257 352 c CA 1.145 57.375 56.329 -0.166 0.000 1.702 352 c CB -0.828 41.604 42.510 -0.129 0.000 1.934 352 c HN 0.813 nan 8.230 nan 0.000 0.594 353 T N -2.891 111.449 114.554 -0.358 0.000 3.361 353 T HA 0.155 4.506 4.350 0.001 0.000 0.241 353 T C 1.320 175.953 174.700 -0.113 0.000 0.998 353 T CA 0.284 62.207 62.100 -0.295 0.000 1.215 353 T CB -0.030 68.524 68.868 -0.523 0.000 1.196 353 T HN 0.368 nan 8.240 nan 0.000 0.376 354 E N 0.411 120.554 120.200 -0.096 0.000 2.290 354 E HA 0.281 4.631 4.350 0.001 0.000 0.199 354 E C -0.031 176.591 176.600 0.037 0.000 0.912 354 E CA -0.073 56.366 56.400 0.065 0.000 0.924 354 E CB 0.537 30.342 29.700 0.175 0.000 0.901 354 E HN 0.354 nan 8.360 nan 0.000 0.487 355 I N 3.372 123.888 120.570 -0.090 0.000 2.379 355 I HA 0.097 4.267 4.170 0.001 0.000 0.290 355 I C -0.312 175.777 176.117 -0.046 0.000 1.063 355 I CA -0.146 61.104 61.300 -0.083 0.000 1.351 355 I CB 0.045 37.887 38.000 -0.263 0.000 1.410 355 I HN -0.032 nan 8.210 nan 0.000 0.505 356 N N 8.296 127.007 118.700 0.018 0.000 2.527 356 N HA 0.301 5.042 4.740 0.001 0.000 0.236 356 N C -0.292 175.205 175.510 -0.022 0.000 0.999 356 N CA -0.327 52.735 53.050 0.020 0.000 0.935 356 N CB 1.903 40.406 38.487 0.026 0.000 1.132 356 N HN 0.454 nan 8.380 nan 0.000 0.511 357 L N 1.538 122.750 121.223 -0.018 0.000 2.959 357 L HA 0.171 4.511 4.340 0.001 0.000 0.236 357 L C 0.685 177.400 176.870 -0.258 0.000 1.296 357 L CA -0.467 54.290 54.840 -0.138 0.000 1.047 357 L CB -0.019 42.087 42.059 0.079 0.000 1.395 357 L HN 0.341 nan 8.230 nan 0.000 0.492 358 T N -2.341 112.068 114.554 -0.242 0.000 3.182 358 T HA 0.396 4.746 4.350 0.001 0.000 0.274 358 T C -0.369 174.226 174.700 -0.176 0.000 0.997 358 T CA -0.032 62.117 62.100 0.081 0.000 1.082 358 T CB -0.635 68.322 68.868 0.149 0.000 1.005 358 T HN -0.043 nan 8.240 nan 0.000 0.688 359 F N 1.731 121.788 119.950 0.178 0.000 2.518 359 F HA 0.725 5.252 4.527 0.001 0.000 0.323 359 F C 0.269 176.246 175.800 0.295 0.000 1.129 359 F CA -1.394 56.703 58.000 0.161 0.000 0.920 359 F CB 1.790 40.774 39.000 -0.026 0.000 1.160 359 F HN 0.753 nan 8.300 nan 0.000 0.440 360 A N 1.396 124.525 122.820 0.515 0.000 2.384 360 A HA 0.860 5.180 4.320 0.001 0.000 0.312 360 A C -0.844 176.940 177.584 0.332 0.000 1.113 360 A CA -0.712 51.544 52.037 0.365 0.000 0.779 360 A CB 1.212 20.364 19.000 0.253 0.000 1.307 360 A HN 0.698 nan 8.150 nan 0.000 0.436 361 S N 0.212 115.957 115.700 0.076 0.000 2.454 361 S HA 0.469 4.940 4.470 0.001 0.000 0.306 361 S C -0.074 174.500 174.600 -0.043 0.000 1.100 361 S CA -0.463 57.719 58.200 -0.030 0.000 1.087 361 S CB 1.197 64.200 63.200 -0.329 0.000 1.019 361 S HN 0.809 nan 8.310 nan 0.000 0.480 362 N N 1.279 119.963 118.700 -0.027 0.000 2.181 362 N HA 0.112 4.852 4.740 0.001 0.000 0.207 362 N C 0.248 175.708 175.510 -0.084 0.000 1.182 362 N CA -0.132 52.894 53.050 -0.041 0.000 0.893 362 N CB -0.319 38.169 38.487 0.002 0.000 1.032 362 N HN 0.615 nan 8.380 nan 0.000 0.513 363 N N -1.097 117.526 118.700 -0.129 0.000 2.782 363 N HA -0.160 4.580 4.740 0.001 0.000 0.251 363 N C -0.377 175.066 175.510 -0.112 0.000 1.101 363 N CA 1.031 53.987 53.050 -0.158 0.000 0.764 363 N CB -1.142 37.240 38.487 -0.173 0.000 1.122 363 N HN 0.251 nan 8.380 nan 0.000 0.561 364 V N -2.278 117.584 119.914 -0.087 0.000 3.279 364 V HA 0.131 4.251 4.120 0.001 0.000 0.213 364 V C 1.921 177.976 176.094 -0.064 0.000 1.335 364 V CA 1.200 63.461 62.300 -0.064 0.000 1.317 364 V CB 0.153 31.952 31.823 -0.039 0.000 1.209 364 V HN 0.515 nan 8.190 nan 0.000 0.525 365 T N -0.447 114.077 114.554 -0.050 0.000 3.081 365 T HA 0.146 4.497 4.350 0.001 0.000 0.250 365 T C 0.160 174.816 174.700 -0.074 0.000 1.100 365 T CA 0.661 62.734 62.100 -0.045 0.000 1.038 365 T CB -0.419 68.442 68.868 -0.011 0.000 0.962 365 T HN 0.678 nan 8.240 nan 0.000 0.516 366 D N 0.143 120.475 120.400 -0.113 0.000 2.552 366 D HA 0.407 5.047 4.640 0.001 0.000 0.239 366 D C 0.981 177.058 176.300 -0.371 0.000 1.139 366 D CA -1.143 52.730 54.000 -0.212 0.000 0.914 366 D CB 1.102 41.869 40.800 -0.054 0.000 1.461 366 D HN 0.110 nan 8.370 nan 0.000 0.462 367 M N -1.018 118.169 119.600 -0.688 0.000 2.618 367 M HA 0.297 4.778 4.480 0.001 0.000 0.240 367 M C -0.894 174.966 176.300 -0.734 0.000 1.123 367 M CA 0.060 54.954 55.300 -0.678 0.000 1.060 367 M CB -0.348 31.822 32.600 -0.717 0.000 1.535 367 M HN 0.102 nan 8.290 nan 0.000 0.507 368 F N 1.675 121.340 119.950 -0.476 0.000 2.378 368 F HA 0.637 5.165 4.527 0.000 0.000 0.325 368 F C -2.210 173.114 175.800 -0.794 0.000 1.097 368 F CA -2.887 54.625 58.000 -0.813 0.000 1.079 368 F CB -0.362 38.171 39.000 -0.779 0.000 1.240 368 F HN -0.132 nan 8.300 nan 0.000 0.519 369 P HA -0.016 nan 4.420 nan 0.000 0.273 369 P C -0.597 176.453 177.300 -0.418 0.000 1.250 369 P CA -0.382 62.271 63.100 -0.744 0.000 0.793 369 P CB 0.475 31.399 31.700 -1.294 0.000 1.011 370 D N 1.328 121.570 120.400 -0.264 0.000 2.348 370 D HA 0.079 4.719 4.640 0.001 0.000 0.259 370 D C -0.761 175.478 176.300 -0.102 0.000 1.296 370 D CA 0.402 54.320 54.000 -0.137 0.000 0.931 370 D CB -0.342 40.412 40.800 -0.076 0.000 1.067 370 D HN 0.230 nan 8.370 nan 0.000 0.503 371 L N 6.847 128.009 121.223 -0.101 0.000 2.433 371 L HA 0.308 4.648 4.340 0.001 0.000 0.256 371 L C -2.105 174.785 176.870 0.034 0.000 1.063 371 L CA -1.628 53.183 54.840 -0.049 0.000 0.922 371 L CB 1.853 43.833 42.059 -0.133 0.000 1.238 371 L HN 0.174 nan 8.230 nan 0.000 0.466 372 P HA 0.193 nan 4.420 nan 0.000 0.274 372 P C -1.125 176.305 177.300 0.217 0.000 1.237 372 P CA -0.204 62.968 63.100 0.119 0.000 0.793 372 P CB 1.212 32.953 31.700 0.069 0.000 0.977 373 F N 1.271 121.259 119.950 0.064 0.000 2.617 373 F HA 0.431 4.959 4.527 0.001 0.000 0.325 373 F C -0.629 175.201 175.800 0.051 0.000 1.179 373 F CA 0.150 58.190 58.000 0.066 0.000 0.965 373 F CB 1.506 40.565 39.000 0.098 0.000 1.232 373 F HN 0.393 nan 8.300 nan 0.000 0.461 374 T N 0.936 115.202 114.554 -0.480 0.000 2.906 374 T HA 0.308 4.659 4.350 0.001 0.000 0.295 374 T C 0.394 174.851 174.700 -0.404 0.000 1.075 374 T CA -0.795 61.127 62.100 -0.297 0.000 1.005 374 T CB 1.809 70.591 68.868 -0.144 0.000 1.136 374 T HN 0.383 nan 8.240 nan 0.000 0.498 375 D N 0.409 120.692 120.400 -0.194 0.000 2.158 375 D HA -0.124 4.517 4.640 0.001 0.000 0.197 375 D C 1.705 177.945 176.300 -0.100 0.000 0.995 375 D CA 1.465 55.392 54.000 -0.120 0.000 0.846 375 D CB 0.023 40.801 40.800 -0.036 0.000 0.941 375 D HN 0.782 nan 8.370 nan 0.000 0.456 376 E N 0.389 120.537 120.200 -0.087 0.000 2.072 376 E HA -0.060 4.291 4.350 0.001 0.000 0.191 376 E C 2.242 178.801 176.600 -0.070 0.000 0.985 376 E CA 0.525 56.897 56.400 -0.047 0.000 0.801 376 E CB -0.272 29.414 29.700 -0.024 0.000 0.750 376 E HN 0.240 nan 8.360 nan 0.000 0.452 377 L N -0.056 121.077 121.223 -0.148 0.000 2.093 377 L HA -0.074 4.266 4.340 0.001 0.000 0.208 377 L C 2.743 179.544 176.870 -0.117 0.000 1.085 377 L CA 1.384 56.141 54.840 -0.139 0.000 0.755 377 L CB -0.349 41.594 42.059 -0.194 0.000 0.904 377 L HN 0.111 nan 8.230 nan 0.000 0.435 378 R N 0.122 120.468 120.500 -0.255 0.000 2.066 378 R HA -0.227 4.113 4.340 0.001 0.000 0.232 378 R C 2.335 178.682 176.300 0.078 0.000 1.131 378 R CA 1.735 57.791 56.100 -0.072 0.000 0.955 378 R CB -0.222 29.991 30.300 -0.146 0.000 0.851 378 R HN 0.313 nan 8.270 nan 0.000 0.432 379 Q N 0.202 120.017 119.800 0.025 0.000 2.061 379 Q HA -0.210 4.130 4.340 0.001 0.000 0.204 379 Q C 2.122 178.118 176.000 -0.007 0.000 0.984 379 Q CA 1.985 57.811 55.803 0.039 0.000 0.846 379 Q CB 0.055 28.838 28.738 0.076 0.000 0.902 379 Q HN 0.364 nan 8.270 nan 0.000 0.421 380 R N -0.901 119.603 120.500 0.006 0.000 2.073 380 R HA -0.187 4.154 4.340 0.001 0.000 0.234 380 R C 2.267 178.562 176.300 -0.007 0.000 1.134 380 R CA 1.614 57.704 56.100 -0.017 0.000 0.952 380 R CB -0.587 29.718 30.300 0.008 0.000 0.850 380 R HN 0.383 nan 8.270 nan 0.000 0.433 381 Y N 1.033 121.322 120.300 -0.019 0.000 2.070 381 Y HA -0.346 4.204 4.550 0.000 0.000 0.280 381 Y C 2.346 178.256 175.900 0.016 0.000 1.148 381 Y CA 1.490 59.600 58.100 0.017 0.000 1.125 381 Y CB -0.585 37.924 38.460 0.082 0.000 0.975 381 Y HN 0.049 nan 8.280 nan 0.000 0.492 382 c N 0.328 118.939 118.600 0.019 0.000 2.413 382 c HA -0.185 4.385 4.570 0.001 0.000 0.276 382 c C 2.827 176.849 174.090 -0.113 0.000 1.248 382 c CA 1.231 57.572 56.329 0.019 0.000 1.742 382 c CB -1.593 40.989 42.510 0.119 0.000 2.017 382 c HN 0.627 nan 8.230 nan 0.000 0.481 383 L N 0.378 121.474 121.223 -0.212 0.000 2.093 383 L HA -0.142 4.198 4.340 0.001 0.000 0.208 383 L C 2.534 179.247 176.870 -0.262 0.000 1.085 383 L CA 1.634 56.287 54.840 -0.312 0.000 0.755 383 L CB -0.587 41.190 42.059 -0.470 0.000 0.904 383 L HN 0.425 nan 8.230 nan 0.000 0.435 384 D N -1.047 119.192 120.400 -0.269 0.000 2.162 384 D HA -0.117 4.523 4.640 0.001 0.000 0.203 384 D C 1.825 177.915 176.300 -0.350 0.000 0.967 384 D CA 1.460 55.301 54.000 -0.266 0.000 0.840 384 D CB 0.417 41.083 40.800 -0.224 0.000 0.972 384 D HN 0.265 nan 8.370 nan 0.000 0.482 385 T N -1.315 112.928 114.554 -0.517 0.000 2.894 385 T HA -0.041 4.309 4.350 0.001 0.000 0.258 385 T C 1.234 175.444 174.700 -0.817 0.000 1.043 385 T CA 0.748 62.389 62.100 -0.766 0.000 1.141 385 T CB -0.113 68.089 68.868 -1.110 0.000 0.873 385 T HN 0.283 nan 8.240 nan 0.000 0.449 386 W N 0.035 121.246 121.300 -0.148 0.000 2.873 386 W HA 0.468 5.129 4.660 0.001 0.000 0.282 386 W C 1.492 177.985 176.519 -0.043 0.000 1.118 386 W CA -0.176 57.155 57.345 -0.023 0.000 1.480 386 W CB 0.514 30.052 29.460 0.130 0.000 0.954 386 W HN 0.325 nan 8.180 nan 0.000 0.591 387 G N 1.567 110.391 108.800 0.039 0.000 2.149 387 G HA2 -0.148 3.812 3.960 0.001 0.000 0.235 387 G HA3 -0.148 3.812 3.960 0.001 0.000 0.235 387 G C -0.309 174.552 174.900 -0.065 0.000 1.018 387 G CA 0.100 45.165 45.100 -0.059 0.000 0.728 387 G HN 0.464 nan 8.290 nan 0.000 0.508 388 V N -3.907 115.980 119.914 -0.045 0.000 2.769 388 V HA 0.886 5.007 4.120 0.001 0.000 0.312 388 V C 0.013 176.032 176.094 -0.124 0.000 1.061 388 V CA -2.190 60.088 62.300 -0.036 0.000 0.931 388 V CB 1.297 33.149 31.823 0.048 0.000 1.010 388 V HN 0.336 nan 8.190 nan 0.000 0.433 389 W N 3.076 124.370 121.300 -0.010 0.000 2.338 389 W HA 0.650 5.310 4.660 0.001 0.000 0.307 389 W C -2.225 174.268 176.519 -0.043 0.000 1.167 389 W CA -1.869 55.465 57.345 -0.018 0.000 1.208 389 W CB 0.434 29.883 29.460 -0.019 0.000 1.228 389 W HN 0.402 nan 8.180 nan 0.000 0.499 390 P HA 0.164 nan 4.420 nan 0.000 0.272 390 P C -0.462 176.894 177.300 0.094 0.000 1.230 390 P CA -0.379 62.767 63.100 0.076 0.000 0.788 390 P CB 0.695 32.433 31.700 0.063 0.000 0.949 391 R N 2.440 122.981 120.500 0.068 0.000 2.477 391 R HA 0.232 4.572 4.340 0.001 0.000 0.285 391 R C -1.872 174.502 176.300 0.125 0.000 1.415 391 R CA -1.286 54.870 56.100 0.093 0.000 1.446 391 R CB 0.756 31.107 30.300 0.084 0.000 1.110 391 R HN 0.370 nan 8.270 nan 0.000 0.590 392 P HA -0.169 nan 4.420 nan 0.000 0.225 392 P C 0.397 177.748 177.300 0.085 0.000 1.148 392 P CA 1.135 64.282 63.100 0.079 0.000 0.779 392 P CB 0.264 31.997 31.700 0.056 0.000 0.780 393 D N -2.449 118.013 120.400 0.102 0.000 2.367 393 D HA -0.109 4.531 4.640 0.001 0.000 0.207 393 D C 1.737 178.100 176.300 0.105 0.000 1.034 393 D CA -0.067 53.984 54.000 0.086 0.000 0.861 393 D CB -1.065 39.778 40.800 0.072 0.000 0.943 393 D HN 0.279 nan 8.370 nan 0.000 0.515 394 W N 1.598 122.894 121.300 -0.007 0.000 2.358 394 W HA -0.134 4.526 4.660 0.001 0.000 0.303 394 W C 1.603 178.115 176.519 -0.012 0.000 1.208 394 W CA 0.334 57.665 57.345 -0.023 0.000 1.274 394 W CB -0.208 29.232 29.460 -0.034 0.000 1.138 394 W HN -0.037 nan 8.180 nan 0.000 0.515 395 L N 0.884 122.044 121.223 -0.105 0.000 2.131 395 L HA -0.228 4.113 4.340 0.001 0.000 0.210 395 L C 2.578 179.358 176.870 -0.151 0.000 1.092 395 L CA 1.373 56.150 54.840 -0.105 0.000 0.759 395 L CB -1.152 40.980 42.059 0.122 0.000 0.903 395 L HN 0.006 nan 8.230 nan 0.000 0.435 396 L N -1.428 119.732 121.223 -0.106 0.000 2.056 396 L HA -0.163 4.177 4.340 0.001 0.000 0.207 396 L C 2.334 179.106 176.870 -0.163 0.000 1.078 396 L CA 2.226 57.024 54.840 -0.069 0.000 0.749 396 L CB -1.012 41.035 42.059 -0.019 0.000 0.901 396 L HN 0.244 nan 8.230 nan 0.000 0.433 397 T N -1.373 112.998 114.554 -0.304 0.000 2.684 397 T HA -0.200 4.150 4.350 0.001 0.000 0.267 397 T C 2.053 176.376 174.700 -0.628 0.000 1.036 397 T CA 1.775 63.629 62.100 -0.410 0.000 1.148 397 T CB -0.413 68.213 68.868 -0.403 0.000 0.863 397 T HN 0.443 nan 8.240 nan 0.000 0.436 398 S N 0.150 115.179 115.700 -1.119 0.000 2.345 398 S HA 0.044 4.514 4.470 0.001 0.000 0.219 398 S C 0.858 174.810 174.600 -1.080 0.000 1.031 398 S CA 0.743 58.146 58.200 -1.329 0.000 0.984 398 S CB -0.249 61.822 63.200 -1.882 0.000 0.874 398 S HN 0.456 nan 8.310 nan 0.000 0.451 399 F N 0.574 120.225 119.950 -0.498 0.000 2.772 399 F HA 0.328 4.855 4.527 0.001 0.000 0.302 399 F C -0.071 175.476 175.800 -0.421 0.000 1.136 399 F CA -0.987 56.581 58.000 -0.720 0.000 1.322 399 F CB -0.100 38.143 39.000 -1.261 0.000 0.967 399 F HN 0.181 nan 8.300 nan 0.000 0.513 400 W N -0.879 120.350 121.300 -0.119 0.000 2.086 400 W HA -0.319 4.341 4.660 0.001 0.000 0.247 400 W C 1.441 177.949 176.519 -0.019 0.000 0.986 400 W CA 0.490 57.796 57.345 -0.065 0.000 0.466 400 W CB -1.912 27.529 29.460 -0.031 0.000 1.993 400 W HN 0.515 nan 8.180 nan 0.000 1.433 401 G N 0.365 109.269 108.800 0.173 0.000 2.646 401 G HA2 -0.280 3.681 3.960 0.001 0.000 0.324 401 G HA3 -0.280 3.681 3.960 0.001 0.000 0.324 401 G C 1.274 176.241 174.900 0.111 0.000 1.195 401 G CA 2.770 47.944 45.100 0.124 0.000 0.976 401 G HN 1.294 nan 8.290 nan 0.000 0.546 402 G N -0.038 108.812 108.800 0.084 0.000 2.551 402 G HA2 0.253 4.214 3.960 0.001 0.000 0.216 402 G HA3 0.253 4.214 3.960 0.001 0.000 0.216 402 G C 0.611 175.557 174.900 0.075 0.000 1.137 402 G CA 1.290 46.421 45.100 0.052 0.000 0.798 402 G HN 0.768 nan 8.290 nan 0.000 0.536 403 D N 0.890 121.360 120.400 0.117 0.000 2.470 403 D HA 0.218 4.858 4.640 0.001 0.000 0.226 403 D C 0.866 177.300 176.300 0.223 0.000 1.196 403 D CA -0.162 53.905 54.000 0.111 0.000 0.979 403 D CB -0.021 40.806 40.800 0.045 0.000 1.059 403 D HN 0.141 nan 8.370 nan 0.000 0.515 404 L N 3.157 124.506 121.223 0.209 0.000 3.066 404 L HA 0.312 4.652 4.340 0.001 0.000 0.265 404 L C 1.827 178.836 176.870 0.232 0.000 1.232 404 L CA -0.334 54.704 54.840 0.329 0.000 1.031 404 L CB 0.235 42.468 42.059 0.290 0.000 1.379 404 L HN 0.076 nan 8.230 nan 0.000 0.563 405 R N 0.791 121.364 120.500 0.122 0.000 2.285 405 R HA -0.007 4.333 4.340 0.001 0.000 0.213 405 R C 2.019 178.352 176.300 0.055 0.000 1.068 405 R CA 1.124 57.267 56.100 0.071 0.000 1.004 405 R CB -0.031 30.284 30.300 0.026 0.000 0.873 405 R HN 0.393 nan 8.270 nan 0.000 0.467 406 A N 0.849 123.698 122.820 0.049 0.000 2.169 406 A HA 0.379 4.699 4.320 0.001 0.000 0.210 406 A C 1.048 178.728 177.584 0.159 0.000 1.168 406 A CA 0.114 52.158 52.037 0.012 0.000 0.813 406 A CB 0.267 19.155 19.000 -0.187 0.000 0.861 406 A HN 0.273 nan 8.150 nan 0.000 0.481 407 A N 0.366 123.392 122.820 0.343 0.000 2.346 407 A HA 0.602 4.922 4.320 0.001 0.000 0.252 407 A C 0.492 178.163 177.584 0.145 0.000 1.089 407 A CA 0.480 52.712 52.037 0.325 0.000 0.797 407 A CB 0.072 19.290 19.000 0.363 0.000 1.047 407 A HN 1.292 nan 8.150 nan 0.000 0.494 408 S N -0.122 115.608 115.700 0.050 0.000 2.547 408 S HA 0.541 5.012 4.470 0.001 0.000 0.270 408 S C -0.721 173.770 174.600 -0.181 0.000 1.150 408 S CA -0.784 57.403 58.200 -0.021 0.000 0.850 408 S CB 1.051 64.238 63.200 -0.021 0.000 1.118 408 S HN 1.045 nan 8.310 nan 0.000 0.461 409 N N 0.075 118.641 118.700 -0.223 0.000 2.727 409 N HA -0.129 4.612 4.740 0.001 0.000 0.251 409 N C -1.135 173.936 175.510 -0.732 0.000 1.040 409 N CA 1.209 53.864 53.050 -0.657 0.000 0.712 409 N CB -1.638 36.040 38.487 -1.348 0.000 0.912 409 N HN 0.789 nan 8.380 nan 0.000 0.545 410 I N 0.291 120.741 120.570 -0.200 0.000 2.466 410 I HA 0.437 4.607 4.170 0.001 0.000 0.289 410 I C 0.288 176.381 176.117 -0.039 0.000 1.026 410 I CA -0.716 60.437 61.300 -0.245 0.000 1.078 410 I CB 1.763 39.535 38.000 -0.380 0.000 1.249 410 I HN -0.062 nan 8.210 nan 0.000 0.429 411 I N 5.599 126.143 120.570 -0.045 0.000 2.321 411 I HA 0.298 4.469 4.170 0.001 0.000 0.291 411 I C -0.941 175.034 176.117 -0.236 0.000 0.998 411 I CA -0.319 60.974 61.300 -0.010 0.000 1.227 411 I CB 0.942 38.961 38.000 0.031 0.000 1.368 411 I HN 0.374 nan 8.210 nan 0.000 0.466 412 F N 5.045 125.017 119.950 0.037 0.000 2.293 412 F HA 0.265 4.793 4.527 0.001 0.000 0.370 412 F C 0.759 176.572 175.800 0.022 0.000 1.090 412 F CA -0.493 57.517 58.000 0.017 0.000 1.133 412 F CB 1.059 40.074 39.000 0.026 0.000 1.360 412 F HN 0.382 nan 8.300 nan 0.000 0.489 413 S N 3.309 119.087 115.700 0.130 0.000 2.617 413 S HA 0.671 5.141 4.470 0.001 0.000 0.283 413 S C -0.539 174.133 174.600 0.121 0.000 1.189 413 S CA -0.757 57.503 58.200 0.099 0.000 1.036 413 S CB 1.812 65.038 63.200 0.043 0.000 1.014 413 S HN 0.536 nan 8.310 nan 0.000 0.522 414 N N -0.199 118.566 118.700 0.109 0.000 2.405 414 N HA 0.404 5.144 4.740 0.001 0.000 0.274 414 N C -0.960 174.607 175.510 0.095 0.000 1.170 414 N CA -0.645 52.478 53.050 0.123 0.000 0.848 414 N CB 2.215 40.785 38.487 0.137 0.000 1.629 414 N HN 0.900 nan 8.380 nan 0.000 0.481 415 G N 0.270 109.132 108.800 0.103 0.000 2.348 415 G HA2 0.113 4.074 3.960 0.001 0.000 0.312 415 G HA3 0.113 4.074 3.960 0.001 0.000 0.312 415 G C 1.090 176.022 174.900 0.054 0.000 1.126 415 G CA -0.442 44.700 45.100 0.070 0.000 0.865 415 G HN 0.667 nan 8.290 nan 0.000 0.474 416 N N 2.138 120.855 118.700 0.027 0.000 2.364 416 N HA -0.110 4.630 4.740 0.001 0.000 0.183 416 N C 1.506 177.007 175.510 -0.015 0.000 1.022 416 N CA 0.881 53.936 53.050 0.009 0.000 0.883 416 N CB -0.069 38.419 38.487 0.001 0.000 0.965 416 N HN 0.475 nan 8.380 nan 0.000 0.438 417 L N -0.488 120.719 121.223 -0.027 0.000 2.529 417 L HA 0.138 4.478 4.340 0.001 0.000 0.223 417 L C 0.221 177.048 176.870 -0.072 0.000 1.113 417 L CA -0.092 54.707 54.840 -0.068 0.000 0.861 417 L CB -0.292 41.710 42.059 -0.095 0.000 1.012 417 L HN -0.005 nan 8.230 nan 0.000 0.461 418 D N 1.488 121.883 120.400 -0.009 0.000 2.325 418 D HA 0.080 4.721 4.640 0.001 0.000 0.251 418 D C -1.415 174.884 176.300 -0.002 0.000 1.196 418 D CA -2.197 51.831 54.000 0.046 0.000 0.866 418 D CB 1.344 42.264 40.800 0.200 0.000 1.101 418 D HN -0.104 nan 8.370 nan 0.000 0.476 419 P HA -0.105 nan 4.420 nan 0.000 0.225 419 P C 0.948 178.120 177.300 -0.212 0.000 1.148 419 P CA 0.860 63.727 63.100 -0.390 0.000 0.779 419 P CB -0.020 31.117 31.700 -0.938 0.000 0.780 420 W N 0.179 121.547 121.300 0.113 0.000 2.800 420 W HA 0.180 4.840 4.660 0.001 0.000 0.249 420 W C 2.478 179.083 176.519 0.144 0.000 1.294 420 W CA 0.389 57.841 57.345 0.179 0.000 1.402 420 W CB -0.598 28.970 29.460 0.180 0.000 1.126 420 W HN -0.039 nan 8.180 nan 0.000 0.652 421 A N 0.569 123.558 122.820 0.282 0.000 1.865 421 A HA -0.156 4.165 4.320 0.001 0.000 0.217 421 A C 2.230 179.910 177.584 0.160 0.000 1.191 421 A CA 1.936 54.091 52.037 0.197 0.000 0.623 421 A CB -1.485 17.587 19.000 0.119 0.000 0.826 421 A HN 0.296 nan 8.150 nan 0.000 0.444 422 G N -1.245 107.626 108.800 0.119 0.000 2.653 422 G HA2 0.163 4.124 3.960 0.001 0.000 0.212 422 G HA3 0.163 4.124 3.960 0.001 0.000 0.212 422 G C 1.121 176.117 174.900 0.161 0.000 1.138 422 G CA 1.039 46.201 45.100 0.103 0.000 0.782 422 G HN 0.757 nan 8.290 nan 0.000 0.535 423 G N -0.593 108.353 108.800 0.243 0.000 2.838 423 G HA2 0.445 4.405 3.960 0.001 0.000 0.210 423 G HA3 0.445 4.405 3.960 0.001 0.000 0.210 423 G C 0.729 175.770 174.900 0.235 0.000 1.153 423 G CA 0.704 45.997 45.100 0.322 0.000 0.778 423 G HN 0.630 nan 8.290 nan 0.000 0.539 424 G N -0.326 108.577 108.800 0.172 0.000 3.209 424 G HA2 0.488 4.448 3.960 0.001 0.000 0.236 424 G HA3 0.488 4.448 3.960 0.001 0.000 0.236 424 G C -0.733 174.159 174.900 -0.014 0.000 1.329 424 G CA -0.797 44.350 45.100 0.078 0.000 1.015 424 G HN -0.045 nan 8.290 nan 0.000 0.571 425 I N 1.474 121.952 120.570 -0.154 0.000 2.452 425 I HA 0.297 4.467 4.170 0.001 0.000 0.287 425 I C 0.744 176.833 176.117 -0.047 0.000 1.079 425 I CA -0.186 60.977 61.300 -0.228 0.000 1.387 425 I CB 1.256 38.827 38.000 -0.715 0.000 1.404 425 I HN 0.456 nan 8.210 nan 0.000 0.522 426 R N 4.489 124.982 120.500 -0.013 0.000 2.342 426 R HA 0.219 4.559 4.340 0.001 0.000 0.204 426 R C 0.896 177.217 176.300 0.035 0.000 0.882 426 R CA 0.207 56.325 56.100 0.030 0.000 1.041 426 R CB -0.097 30.223 30.300 0.033 0.000 1.188 426 R HN 0.637 nan 8.270 nan 0.000 0.598 427 R N 1.264 121.778 120.500 0.025 0.000 2.856 427 R HA 0.498 4.838 4.340 0.001 0.000 0.258 427 R C -0.424 175.905 176.300 0.048 0.000 1.066 427 R CA -0.734 55.387 56.100 0.034 0.000 1.045 427 R CB -0.210 30.105 30.300 0.026 0.000 1.178 427 R HN 0.033 nan 8.270 nan 0.000 0.499 428 N N 1.442 120.177 118.700 0.058 0.000 2.452 428 N HA 0.181 4.922 4.740 0.001 0.000 0.266 428 N C 0.658 176.209 175.510 0.068 0.000 1.175 428 N CA -0.263 52.833 53.050 0.076 0.000 0.945 428 N CB 1.099 39.628 38.487 0.071 0.000 1.063 428 N HN 0.604 nan 8.380 nan 0.000 0.472 429 L N 0.176 121.450 121.223 0.085 0.000 2.416 429 L HA 0.138 4.478 4.340 0.001 0.000 0.216 429 L C 0.875 177.792 176.870 0.078 0.000 1.098 429 L CA 0.282 55.166 54.840 0.073 0.000 0.840 429 L CB -0.199 41.906 42.059 0.077 0.000 0.981 429 L HN 0.580 nan 8.230 nan 0.000 0.462 430 S N -2.161 113.594 115.700 0.091 0.000 2.661 430 S HA 0.533 5.003 4.470 0.001 0.000 0.268 430 S C 0.354 175.008 174.600 0.088 0.000 1.162 430 S CA -0.172 58.077 58.200 0.082 0.000 0.817 430 S CB 1.268 64.521 63.200 0.088 0.000 1.141 430 S HN -0.086 nan 8.310 nan 0.000 0.477 431 A N 0.907 123.774 122.820 0.079 0.000 2.067 431 A HA 0.152 4.473 4.320 0.001 0.000 0.219 431 A C 1.923 179.574 177.584 0.111 0.000 1.158 431 A CA 1.987 54.074 52.037 0.082 0.000 0.661 431 A CB -1.016 18.025 19.000 0.068 0.000 0.801 431 A HN 1.672 nan 8.150 nan 0.000 0.452 432 S N -2.213 113.564 115.700 0.128 0.000 2.632 432 S HA 0.282 4.752 4.470 0.001 0.000 0.237 432 S C -0.013 174.699 174.600 0.188 0.000 1.037 432 S CA 0.141 58.448 58.200 0.178 0.000 1.009 432 S CB 0.284 63.570 63.200 0.142 0.000 0.974 432 S HN 0.111 nan 8.310 nan 0.000 0.544 433 V N 4.289 124.304 119.914 0.168 0.000 2.217 433 V HA 0.449 4.569 4.120 0.001 0.000 0.264 433 V C -0.708 175.521 176.094 0.225 0.000 1.107 433 V CA -0.603 61.825 62.300 0.214 0.000 0.913 433 V CB 0.213 32.175 31.823 0.232 0.000 1.153 433 V HN 0.440 nan 8.190 nan 0.000 0.469 434 I N 3.270 123.974 120.570 0.223 0.000 2.385 434 I HA 0.638 4.809 4.170 0.001 0.000 0.294 434 I C 0.596 176.837 176.117 0.206 0.000 0.988 434 I CA -0.317 61.089 61.300 0.176 0.000 1.265 434 I CB 1.639 39.717 38.000 0.130 0.000 1.388 434 I HN 0.520 nan 8.210 nan 0.000 0.480 435 A N 6.658 129.575 122.820 0.161 0.000 2.304 435 A HA 0.733 5.053 4.320 0.001 0.000 0.323 435 A C -0.657 176.988 177.584 0.102 0.000 1.195 435 A CA -0.473 51.659 52.037 0.158 0.000 0.826 435 A CB 1.110 20.183 19.000 0.121 0.000 1.184 435 A HN 0.436 nan 8.150 nan 0.000 0.496 436 V N 2.367 122.338 119.914 0.095 0.000 2.444 436 V HA 0.446 4.566 4.120 0.001 0.000 0.294 436 V C -0.053 176.074 176.094 0.056 0.000 1.022 436 V CA -0.407 61.927 62.300 0.056 0.000 0.850 436 V CB 1.761 33.602 31.823 0.030 0.000 0.992 436 V HN 0.903 nan 8.190 nan 0.000 0.426 437 T N 6.267 120.846 114.554 0.042 0.000 2.743 437 T HA 0.596 4.946 4.350 0.001 0.000 0.292 437 T C -0.112 174.603 174.700 0.026 0.000 0.972 437 T CA -0.032 62.092 62.100 0.039 0.000 0.967 437 T CB 0.632 69.521 68.868 0.035 0.000 0.926 437 T HN 0.394 nan 8.240 nan 0.000 0.459 438 I N 3.752 124.339 120.570 0.028 0.000 2.287 438 I HA 0.190 4.360 4.170 0.001 0.000 0.290 438 I C 0.364 176.492 176.117 0.018 0.000 1.069 438 I CA -0.619 60.692 61.300 0.018 0.000 1.237 438 I CB 0.779 38.791 38.000 0.020 0.000 1.418 438 I HN 0.381 nan 8.210 nan 0.000 0.481 439 Q N 4.647 124.454 119.800 0.011 0.000 2.262 439 Q HA 0.355 4.695 4.340 0.001 0.000 0.272 439 Q C 1.005 177.008 176.000 0.005 0.000 1.076 439 Q CA 0.959 56.766 55.803 0.006 0.000 0.905 439 Q CB 0.617 29.357 28.738 0.004 0.000 1.182 439 Q HN 0.871 nan 8.270 nan 0.000 0.390 440 G N 2.010 110.809 108.800 -0.001 0.000 2.132 440 G HA2 -0.163 3.797 3.960 0.001 0.000 0.228 440 G HA3 -0.163 3.797 3.960 0.001 0.000 0.228 440 G C 0.253 175.154 174.900 0.002 0.000 1.000 440 G CA -0.284 44.812 45.100 -0.007 0.000 0.693 440 G HN 0.859 nan 8.290 nan 0.000 0.515 441 G N -0.763 108.044 108.800 0.013 0.000 2.379 441 G HA2 0.884 4.844 3.960 0.001 0.000 0.327 441 G HA3 0.884 4.844 3.960 0.001 0.000 0.327 441 G C 0.379 175.287 174.900 0.015 0.000 1.145 441 G CA 0.551 45.675 45.100 0.040 0.000 0.905 441 G HN 1.200 nan 8.290 nan 0.000 0.466 442 A N 1.495 124.307 122.820 -0.014 0.000 3.591 442 A HA 0.533 4.854 4.320 0.001 0.000 0.163 442 A C 0.286 177.905 177.584 0.058 0.000 1.876 442 A CA -0.296 51.683 52.037 -0.097 0.000 1.380 442 A CB -0.436 18.311 19.000 -0.422 0.000 1.777 442 A HN 0.713 nan 8.150 nan 0.000 0.720 443 H N 0.703 119.708 119.070 -0.108 0.000 3.089 443 H HA 0.349 4.906 4.556 0.001 0.000 0.262 443 H C -0.166 175.000 175.328 -0.270 0.000 1.160 443 H CA 0.845 56.836 56.048 -0.095 0.000 1.482 443 H CB -1.174 28.529 29.762 -0.097 0.000 1.511 443 H HN 0.815 nan 8.280 nan 0.000 0.483 444 H N 1.722 120.827 119.070 0.058 0.000 2.591 444 H HA -0.222 4.335 4.556 0.001 0.000 0.325 444 H C 0.462 175.863 175.328 0.122 0.000 1.096 444 H CA 0.663 56.731 56.048 0.033 0.000 1.108 444 H CB -1.792 27.920 29.762 -0.083 0.000 1.590 444 H HN 0.539 nan 8.280 nan 0.000 0.399 445 L N 0.942 122.290 121.223 0.209 0.000 2.156 445 L HA -0.063 4.278 4.340 0.001 0.000 0.208 445 L C 2.101 178.996 176.870 0.041 0.000 1.095 445 L CA 2.069 56.997 54.840 0.146 0.000 0.770 445 L CB -0.432 41.747 42.059 0.200 0.000 0.914 445 L HN 0.738 nan 8.230 nan 0.000 0.439 446 D N -0.302 120.101 120.400 0.005 0.000 2.265 446 D HA -0.268 4.372 4.640 0.001 0.000 0.208 446 D C 1.918 178.099 176.300 -0.200 0.000 0.977 446 D CA 1.547 55.450 54.000 -0.162 0.000 0.871 446 D CB -0.571 40.127 40.800 -0.170 0.000 0.925 446 D HN 0.482 nan 8.370 nan 0.000 0.485 447 L N -0.676 120.583 121.223 0.059 0.000 2.509 447 L HA 0.120 4.460 4.340 0.001 0.000 0.222 447 L C 1.429 178.415 176.870 0.194 0.000 1.123 447 L CA -0.099 54.874 54.840 0.222 0.000 0.856 447 L CB -0.024 42.164 42.059 0.215 0.000 0.985 447 L HN -0.190 nan 8.230 nan 0.000 0.456 448 R N 0.690 121.240 120.500 0.084 0.000 2.641 448 R HA 0.405 4.746 4.340 0.001 0.000 0.269 448 R C 0.285 176.640 176.300 0.091 0.000 1.074 448 R CA -0.221 55.901 56.100 0.036 0.000 1.133 448 R CB 0.656 30.923 30.300 -0.056 0.000 1.029 448 R HN 0.036 nan 8.270 nan 0.000 0.488 449 A N 1.762 124.624 122.820 0.069 0.000 2.445 449 A HA 0.115 4.435 4.320 0.001 0.000 0.242 449 A C 0.090 177.694 177.584 0.033 0.000 1.075 449 A CA -0.145 51.932 52.037 0.066 0.000 0.777 449 A CB 0.372 19.389 19.000 0.028 0.000 1.013 449 A HN 0.699 nan 8.150 nan 0.000 0.493 450 S N 1.446 117.166 115.700 0.033 0.000 2.558 450 S HA 0.136 4.606 4.470 0.001 0.000 0.291 450 S C 0.050 174.620 174.600 -0.051 0.000 1.306 450 S CA 0.352 58.555 58.200 0.004 0.000 1.056 450 S CB -0.170 63.030 63.200 0.002 0.000 0.836 450 S HN 0.740 nan 8.310 nan 0.000 0.504 451 H N 3.020 121.976 119.070 -0.189 0.000 2.851 451 H HA 0.267 4.823 4.556 0.001 0.000 0.372 451 H C -2.068 173.172 175.328 -0.147 0.000 1.158 451 H CA -1.852 54.016 56.048 -0.300 0.000 1.159 451 H CB 2.295 31.623 29.762 -0.723 0.000 1.757 451 H HN 0.356 nan 8.280 nan 0.000 0.546 452 P HA -0.064 nan 4.420 nan 0.000 0.226 452 P C 0.564 177.908 177.300 0.074 0.000 1.153 452 P CA 0.804 63.864 63.100 -0.066 0.000 0.777 452 P CB 0.551 32.178 31.700 -0.122 0.000 0.794 453 E N 0.026 120.385 120.200 0.265 0.000 2.502 453 E HA 0.021 4.371 4.350 0.001 0.000 0.194 453 E C 0.072 176.819 176.600 0.245 0.000 1.062 453 E CA 0.253 56.827 56.400 0.289 0.000 0.867 453 E CB -0.397 29.541 29.700 0.396 0.000 0.888 453 E HN 0.350 nan 8.360 nan 0.000 0.510 454 D N 2.662 123.189 120.400 0.212 0.000 2.455 454 D HA 0.068 4.708 4.640 0.001 0.000 0.241 454 D C -2.053 174.307 176.300 0.099 0.000 1.138 454 D CA -1.027 53.073 54.000 0.166 0.000 0.877 454 D CB 0.564 41.433 40.800 0.114 0.000 1.187 454 D HN -0.038 nan 8.370 nan 0.000 0.451 455 P HA 0.106 nan 4.420 nan 0.000 0.272 455 P C 0.113 177.431 177.300 0.030 0.000 1.230 455 P CA -0.358 62.770 63.100 0.046 0.000 0.788 455 P CB 0.644 32.366 31.700 0.036 0.000 0.949 456 A N 1.062 123.894 122.820 0.019 0.000 1.969 456 A HA -0.139 4.182 4.320 0.001 0.000 0.218 456 A C 2.354 179.940 177.584 0.003 0.000 1.169 456 A CA 1.929 53.972 52.037 0.010 0.000 0.635 456 A CB -1.375 17.630 19.000 0.008 0.000 0.810 456 A HN 0.521 nan 8.150 nan 0.000 0.445 457 S N -1.153 114.549 115.700 0.004 0.000 2.423 457 S HA -0.079 4.391 4.470 0.001 0.000 0.231 457 S C 1.808 176.400 174.600 -0.013 0.000 1.014 457 S CA 1.225 59.424 58.200 -0.002 0.000 0.965 457 S CB -0.286 62.915 63.200 0.003 0.000 0.785 457 S HN 0.368 nan 8.310 nan 0.000 0.495 458 V N 0.994 120.902 119.914 -0.011 0.000 2.591 458 V HA -0.030 4.090 4.120 0.001 0.000 0.249 458 V C 2.028 178.081 176.094 -0.068 0.000 1.053 458 V CA 1.354 63.633 62.300 -0.036 0.000 1.068 458 V CB -0.087 31.729 31.823 -0.012 0.000 0.689 458 V HN 0.411 nan 8.190 nan 0.000 0.462 459 V N -0.077 119.816 119.914 -0.036 0.000 2.427 459 V HA -0.134 3.987 4.120 0.001 0.000 0.248 459 V C 2.589 178.661 176.094 -0.036 0.000 1.051 459 V CA 1.855 64.135 62.300 -0.034 0.000 1.048 459 V CB -0.698 31.120 31.823 -0.009 0.000 0.666 459 V HN 0.524 nan 8.190 nan 0.000 0.456 460 E N 0.565 120.748 120.200 -0.028 0.000 2.107 460 E HA -0.093 4.258 4.350 0.001 0.000 0.191 460 E C 2.357 178.935 176.600 -0.036 0.000 0.982 460 E CA 1.403 57.789 56.400 -0.023 0.000 0.809 460 E CB -0.461 29.231 29.700 -0.013 0.000 0.756 460 E HN 0.568 nan 8.360 nan 0.000 0.459 461 A N 1.556 124.343 122.820 -0.055 0.000 1.873 461 A HA -0.157 4.164 4.320 0.001 0.000 0.215 461 A C 2.198 179.713 177.584 -0.115 0.000 1.186 461 A CA 1.293 53.287 52.037 -0.072 0.000 0.616 461 A CB -0.441 18.514 19.000 -0.075 0.000 0.823 461 A HN 0.094 nan 8.150 nan 0.000 0.442 462 R N -0.300 120.079 120.500 -0.201 0.000 2.127 462 R HA -0.109 4.231 4.340 0.001 0.000 0.238 462 R C 2.151 178.447 176.300 -0.006 0.000 1.134 462 R CA 1.635 57.544 56.100 -0.320 0.000 0.975 462 R CB -0.223 29.770 30.300 -0.512 0.000 0.865 462 R HN 0.500 nan 8.270 nan 0.000 0.447 463 K N 0.155 120.553 120.400 -0.002 0.000 2.103 463 K HA -0.104 4.217 4.320 0.001 0.000 0.204 463 K C 1.946 178.552 176.600 0.011 0.000 1.052 463 K CA 0.735 57.040 56.287 0.031 0.000 0.945 463 K CB -0.096 32.410 32.500 0.011 0.000 0.722 463 K HN 0.019 nan 8.250 nan 0.000 0.443 464 L N 1.969 123.182 121.223 -0.017 0.000 2.056 464 L HA -0.138 4.203 4.340 0.001 0.000 0.207 464 L C 1.723 178.552 176.870 -0.068 0.000 1.078 464 L CA 1.791 56.608 54.840 -0.039 0.000 0.749 464 L CB -0.201 41.837 42.059 -0.036 0.000 0.901 464 L HN 0.118 nan 8.230 nan 0.000 0.433 465 E N -0.546 119.632 120.200 -0.037 0.000 2.047 465 E HA -0.179 4.172 4.350 0.001 0.000 0.191 465 E C 2.216 178.786 176.600 -0.050 0.000 0.987 465 E CA 1.130 57.502 56.400 -0.046 0.000 0.799 465 E CB -0.355 29.396 29.700 0.085 0.000 0.752 465 E HN 0.608 nan 8.360 nan 0.000 0.449 466 A N 0.889 123.770 122.820 0.102 0.000 1.908 466 A HA -0.214 4.106 4.320 0.001 0.000 0.218 466 A C 2.374 179.936 177.584 -0.037 0.000 1.181 466 A CA 2.124 54.208 52.037 0.078 0.000 0.627 466 A CB -0.982 18.108 19.000 0.149 0.000 0.818 466 A HN 0.222 nan 8.150 nan 0.000 0.445 467 T N 0.046 114.562 114.554 -0.063 0.000 2.821 467 T HA -0.020 4.330 4.350 0.001 0.000 0.267 467 T C 1.782 176.360 174.700 -0.203 0.000 1.046 467 T CA 1.401 63.444 62.100 -0.094 0.000 1.139 467 T CB -0.345 68.484 68.868 -0.065 0.000 0.871 467 T HN 0.432 nan 8.240 nan 0.000 0.454 468 I N 0.494 120.866 120.570 -0.330 0.000 2.233 468 I HA -0.061 4.109 4.170 0.001 0.000 0.243 468 I C 2.196 177.665 176.117 -1.079 0.000 1.093 468 I CA 1.165 62.083 61.300 -0.637 0.000 1.380 468 I CB -0.338 37.293 38.000 -0.614 0.000 1.067 468 I HN 0.162 nan 8.210 nan 0.000 0.413 469 I N 0.828 120.873 120.570 -0.875 0.000 2.286 469 I HA -0.224 3.946 4.170 0.001 0.000 0.248 469 I C 2.638 178.663 176.117 -0.154 0.000 1.115 469 I CA 1.612 62.577 61.300 -0.558 0.000 1.392 469 I CB -0.794 37.035 38.000 -0.284 0.000 1.065 469 I HN 0.266 nan 8.210 nan 0.000 0.418 470 G N 0.111 108.839 108.800 -0.119 0.000 2.418 470 G HA2 -0.240 3.720 3.960 0.001 0.000 0.217 470 G HA3 -0.240 3.720 3.960 0.001 0.000 0.217 470 G C 1.609 176.508 174.900 -0.002 0.000 1.158 470 G CA 0.957 46.053 45.100 -0.008 0.000 0.771 470 G HN 0.340 nan 8.290 nan 0.000 0.545 471 E N -0.093 120.058 120.200 -0.082 0.000 2.106 471 E HA -0.100 4.250 4.350 0.001 0.000 0.192 471 E C 2.242 178.916 176.600 0.123 0.000 0.984 471 E CA 1.162 57.554 56.400 -0.013 0.000 0.806 471 E CB -0.327 29.336 29.700 -0.061 0.000 0.750 471 E HN 0.733 nan 8.360 nan 0.000 0.458 472 W N 0.119 121.426 121.300 0.012 0.000 2.363 472 W HA -0.053 4.607 4.660 0.001 0.000 0.296 472 W C 2.249 178.780 176.519 0.021 0.000 1.212 472 W CA 0.394 57.740 57.345 0.001 0.000 1.260 472 W CB -1.414 28.027 29.460 -0.032 0.000 1.131 472 W HN 0.191 nan 8.180 nan 0.000 0.530 473 V N 1.140 121.217 119.914 0.272 0.000 2.307 473 V HA -0.264 3.856 4.120 0.001 0.000 0.245 473 V C 2.721 178.897 176.094 0.137 0.000 1.045 473 V CA 3.262 65.680 62.300 0.196 0.000 1.024 473 V CB -1.543 30.402 31.823 0.204 0.000 0.651 473 V HN 0.195 nan 8.190 nan 0.000 0.449 474 K N 0.253 120.722 120.400 0.114 0.000 2.097 474 K HA -0.051 4.269 4.320 0.001 0.000 0.206 474 K C 2.204 178.853 176.600 0.083 0.000 1.049 474 K CA 1.837 58.174 56.287 0.083 0.000 0.933 474 K CB -1.185 31.352 32.500 0.062 0.000 0.717 474 K HN 0.597 nan 8.250 nan 0.000 0.442 475 A N 0.876 123.758 122.820 0.103 0.000 1.969 475 A HA 0.332 4.652 4.320 0.001 0.000 0.218 475 A C 2.778 180.409 177.584 0.079 0.000 1.169 475 A CA 1.748 53.840 52.037 0.093 0.000 0.635 475 A CB -0.715 18.356 19.000 0.119 0.000 0.810 475 A HN 0.844 nan 8.150 nan 0.000 0.445 476 A N -0.093 122.780 122.820 0.088 0.000 1.883 476 A HA 0.073 4.393 4.320 0.001 0.000 0.217 476 A C 1.961 179.579 177.584 0.057 0.000 1.186 476 A CA 1.789 53.865 52.037 0.067 0.000 0.624 476 A CB -0.974 18.070 19.000 0.074 0.000 0.822 476 A HN 0.832 nan 8.150 nan 0.000 0.444 477 R N -0.064 120.472 120.500 0.061 0.000 2.853 477 R HA 0.525 4.865 4.340 0.001 0.000 0.238 477 R C 0.306 176.632 176.300 0.043 0.000 1.538 477 R CA 1.425 57.556 56.100 0.051 0.000 1.166 477 R CB -1.926 28.405 30.300 0.052 0.000 1.201 477 R HN 1.664 nan 8.270 nan 0.000 0.606 478 R N 0.000 120.523 120.500 0.039 0.000 2.786 478 R HA 0.000 4.340 4.340 0.001 0.000 0.208 478 R CA 0.000 56.120 56.100 0.033 0.000 0.921 478 R CB 0.000 30.321 30.300 0.035 0.000 0.687 478 R HN 0.000 nan 8.270 nan 0.000 0.535