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 2h3d_1_A DATA FIRST_RESID 8 DATA SEQUENCE EFNILLATDS YKVTHYKQYP PNTSKVYSYF ECREXXXXXX XXXXXKYEET DATA SEQUENCE VFYGLQYILN KYLKGKVVTK EKIQEAKEVY REHFQDDVFN ERGWNYILEK DATA SEQUENCE YDGHLPIEVK AVPEGSVIPR GNVLFTVENT DPECYWLTNW IETILVQSWY DATA SEQUENCE PITVATNSRE QKKILAKYLL ETSGNLDGLE YKLHDFGYRG VSSQETAGIG DATA SEQUENCE ASAHLVNFKG TDTVAGIALI KKYYGTKDPV PGYSVPAAEH STITAWGKDH DATA SEQUENCE EKDAFEHIVT QFSSVPVSVV SDSYDIYNAC EKIWGEDLRH LIVSRSTEAP DATA SEQUENCE LIIRPDSGNP LDTVLKVLDI LGKKFPVTEN SKGYKLLPPY LRVIQGDGVD DATA SEQUENCE INTLQEIVEG XKQKKWSIEN VSFGSGGALL QKLTRDLLNC SFKCSYVVTN DATA SEQUENCE GLGVNVFKDP VADPNKRSKK GRLSLHRTPA GNFVTLEEGK GDLEEYGHDL DATA SEQUENCE LHTVFKNGKV TKSYSFDEVR KNAQLN 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 8 E HA 0.000 nan 4.350 nan 0.000 0.291 8 E C 0.000 176.665 176.600 0.109 0.000 1.382 8 E CA 0.000 56.447 56.400 0.078 0.000 0.976 8 E CB 0.000 29.735 29.700 0.058 0.000 0.812 9 F N 2.516 122.482 119.950 0.027 0.000 2.456 9 F HA 0.314 4.790 4.527 -0.084 0.000 0.358 9 F C -0.037 175.776 175.800 0.021 0.000 1.095 9 F CA -0.095 57.933 58.000 0.046 0.000 1.216 9 F CB 0.505 39.588 39.000 0.138 0.000 1.125 9 F HN 0.227 nan 8.300 nan 0.000 0.549 10 N N 6.733 125.040 118.700 -0.655 0.000 2.518 10 N HA 0.105 4.791 4.740 -0.090 0.000 0.254 10 N C 0.690 175.800 175.510 -0.667 0.000 0.979 10 N CA -0.402 52.359 53.050 -0.482 0.000 0.930 10 N CB 0.831 39.110 38.487 -0.346 0.000 1.152 10 N HN 0.805 nan 8.380 nan 0.000 0.505 11 I N 3.965 124.323 120.570 -0.353 0.000 2.423 11 I HA -0.174 3.943 4.170 -0.090 0.000 0.254 11 I C 1.270 177.408 176.117 0.035 0.000 1.151 11 I CA 1.216 62.468 61.300 -0.080 0.000 1.421 11 I CB 0.107 38.216 38.000 0.181 0.000 1.079 11 I HN 0.559 nan 8.210 nan 0.000 0.431 12 L N -0.369 120.752 121.223 -0.170 0.000 2.362 12 L HA -0.045 4.242 4.340 -0.090 0.000 0.219 12 L C 1.772 178.824 176.870 0.303 0.000 1.134 12 L CA 1.333 56.146 54.840 -0.044 0.000 0.807 12 L CB -0.597 41.160 42.059 -0.502 0.000 0.927 12 L HN 0.232 nan 8.230 nan 0.000 0.447 13 L N -1.230 119.978 121.223 -0.026 0.000 2.769 13 L HA 0.319 4.606 4.340 -0.090 0.000 0.240 13 L C 1.015 177.821 176.870 -0.108 0.000 1.163 13 L CA -0.134 54.649 54.840 -0.094 0.000 0.962 13 L CB -0.003 41.866 42.059 -0.316 0.000 1.258 13 L HN 0.090 nan 8.230 nan 0.000 0.513 14 A N -0.116 122.675 122.820 -0.049 0.000 3.264 14 A HA 0.520 4.787 4.320 -0.090 0.000 0.299 14 A C 0.161 177.759 177.584 0.023 0.000 1.272 14 A CA -0.030 51.985 52.037 -0.037 0.000 1.030 14 A CB 0.084 19.078 19.000 -0.010 0.000 1.102 14 A HN 0.138 nan 8.150 nan 0.000 0.615 15 T N -0.939 113.579 114.554 -0.060 0.000 2.843 15 T HA 0.326 4.622 4.350 -0.090 0.000 0.302 15 T C -1.538 173.083 174.700 -0.131 0.000 1.232 15 T CA -0.612 61.366 62.100 -0.204 0.000 1.009 15 T CB 1.153 69.582 68.868 -0.732 0.000 1.254 15 T HN 0.290 nan 8.240 nan 0.000 0.504 16 D N 2.124 122.481 120.400 -0.071 0.000 2.425 16 D HA 0.143 4.729 4.640 -0.090 0.000 0.247 16 D C 1.177 177.540 176.300 0.104 0.000 1.147 16 D CA 0.228 54.278 54.000 0.084 0.000 0.879 16 D CB 1.496 42.485 40.800 0.314 0.000 1.179 16 D HN 0.518 nan 8.370 nan 0.000 0.456 17 S N 1.981 117.777 115.700 0.160 0.000 2.381 17 S HA -0.275 4.142 4.470 -0.090 0.000 0.230 17 S C 1.843 176.686 174.600 0.404 0.000 1.052 17 S CA 1.479 59.844 58.200 0.275 0.000 1.068 17 S CB -0.522 62.853 63.200 0.292 0.000 0.918 17 S HN 0.720 nan 8.310 nan 0.000 0.448 18 Y N 0.923 121.266 120.300 0.071 0.000 2.421 18 Y HA 0.095 4.591 4.550 -0.090 0.000 0.292 18 Y C 1.798 177.415 175.900 -0.470 0.000 1.136 18 Y CA 0.581 58.667 58.100 -0.023 0.000 1.255 18 Y CB -0.394 38.101 38.460 0.057 0.000 0.991 18 Y HN 0.089 nan 8.280 nan 0.000 0.552 19 K N 0.789 120.751 120.400 -0.730 0.000 2.442 19 K HA -0.044 4.222 4.320 -0.090 0.000 0.198 19 K C 1.750 178.016 176.600 -0.557 0.000 1.042 19 K CA 0.942 56.524 56.287 -1.176 0.000 0.958 19 K CB 0.016 32.076 32.500 -0.734 0.000 0.766 19 K HN 0.277 nan 8.250 nan 0.000 0.474 20 V N 1.152 120.839 119.914 -0.379 0.000 2.626 20 V HA -0.178 3.889 4.120 -0.090 0.000 0.252 20 V C 2.178 178.303 176.094 0.053 0.000 1.067 20 V CA 2.168 64.411 62.300 -0.094 0.000 1.081 20 V CB -0.564 31.100 31.823 -0.265 0.000 0.686 20 V HN 0.495 nan 8.190 nan 0.000 0.468 21 T N -4.063 110.402 114.554 -0.147 0.000 3.086 21 T HA 0.062 4.358 4.350 -0.090 0.000 0.250 21 T C 1.342 175.992 174.700 -0.083 0.000 1.074 21 T CA 0.253 62.256 62.100 -0.161 0.000 0.988 21 T CB -0.504 68.228 68.868 -0.227 0.000 0.988 21 T HN 0.600 nan 8.240 nan 0.000 0.530 22 H N 0.304 119.335 119.070 -0.065 0.000 2.428 22 H HA 0.001 4.503 4.556 -0.090 0.000 0.296 22 H C 1.969 177.305 175.328 0.015 0.000 1.062 22 H CA 1.410 57.399 56.048 -0.098 0.000 1.350 22 H CB -0.192 29.544 29.762 -0.043 0.000 1.403 22 H HN 0.686 nan 8.280 nan 0.000 0.533 23 Y N 1.521 121.978 120.300 0.261 0.000 2.365 23 Y HA -0.131 4.365 4.550 -0.090 0.000 0.287 23 Y C 1.228 177.299 175.900 0.284 0.000 1.162 23 Y CA 0.696 58.979 58.100 0.303 0.000 1.260 23 Y CB -0.289 38.098 38.460 -0.121 0.000 0.976 23 Y HN -0.076 nan 8.280 nan 0.000 0.548 24 K N 0.159 120.254 120.400 -0.508 0.000 2.387 24 K HA 0.123 4.389 4.320 -0.090 0.000 0.198 24 K C 1.146 177.641 176.600 -0.174 0.000 1.022 24 K CA 0.211 56.273 56.287 -0.375 0.000 1.128 24 K CB 0.224 32.369 32.500 -0.590 0.000 0.853 24 K HN 0.492 nan 8.250 nan 0.000 0.523 25 Q N -0.659 119.054 119.800 -0.146 0.000 2.350 25 Q HA 0.115 4.401 4.340 -0.090 0.000 0.225 25 Q C -0.351 175.536 176.000 -0.188 0.000 0.878 25 Q CA -0.040 55.641 55.803 -0.204 0.000 0.935 25 Q CB 0.454 29.001 28.738 -0.318 0.000 1.099 25 Q HN 0.188 nan 8.270 nan 0.000 0.527 26 Y N 1.733 122.065 120.300 0.053 0.000 2.357 26 Y HA 0.133 4.629 4.550 -0.090 0.000 0.340 26 Y C -1.793 174.093 175.900 -0.025 0.000 1.260 26 Y CA -2.229 55.899 58.100 0.047 0.000 1.425 26 Y CB -0.249 38.309 38.460 0.164 0.000 1.326 26 Y HN -0.003 nan 8.280 nan 0.000 0.580 27 P HA 0.088 nan 4.420 nan 0.000 0.268 27 P C -2.556 174.729 177.300 -0.025 0.000 1.205 27 P CA -0.893 62.223 63.100 0.026 0.000 0.771 27 P CB 0.073 31.779 31.700 0.011 0.000 0.858 28 P HA 0.004 nan 4.420 nan 0.000 0.267 28 P C -0.206 177.031 177.300 -0.104 0.000 1.200 28 P CA 0.425 63.485 63.100 -0.067 0.000 0.772 28 P CB 0.122 31.797 31.700 -0.042 0.000 0.855 29 N N -1.313 117.302 118.700 -0.142 0.000 2.758 29 N HA -0.124 4.562 4.740 -0.090 0.000 0.248 29 N C -0.806 174.590 175.510 -0.189 0.000 1.076 29 N CA 1.012 53.974 53.050 -0.146 0.000 0.696 29 N CB -2.231 36.203 38.487 -0.088 0.000 0.979 29 N HN 0.356 nan 8.380 nan 0.000 0.550 30 T N 0.126 114.489 114.554 -0.318 0.000 2.733 30 T HA 0.348 4.644 4.350 -0.090 0.000 0.294 30 T C 1.377 175.873 174.700 -0.339 0.000 0.956 30 T CA -0.042 61.868 62.100 -0.315 0.000 0.987 30 T CB 1.104 69.763 68.868 -0.349 0.000 0.920 30 T HN 0.311 nan 8.240 nan 0.000 0.470 31 S N 2.617 118.222 115.700 -0.159 0.000 2.511 31 S HA 0.251 4.667 4.470 -0.090 0.000 0.214 31 S C 0.453 175.055 174.600 0.004 0.000 0.997 31 S CA -0.363 57.803 58.200 -0.057 0.000 0.908 31 S CB 0.178 63.356 63.200 -0.037 0.000 0.803 31 S HN 0.611 nan 8.310 nan 0.000 0.504 32 K N 0.543 120.925 120.400 -0.030 0.000 2.525 32 K HA 0.608 4.875 4.320 -0.090 0.000 0.254 32 K C -2.187 174.407 176.600 -0.010 0.000 0.934 32 K CA -0.644 55.648 56.287 0.009 0.000 0.802 32 K CB 2.349 34.867 32.500 0.028 0.000 1.295 32 K HN 0.003 nan 8.250 nan 0.000 0.433 33 V N 4.441 124.384 119.914 0.049 0.000 2.525 33 V HA 0.370 4.436 4.120 -0.090 0.000 0.299 33 V C -1.562 174.658 176.094 0.210 0.000 1.034 33 V CA -0.778 61.565 62.300 0.071 0.000 0.863 33 V CB 1.326 33.133 31.823 -0.028 0.000 0.999 33 V HN 0.763 nan 8.190 nan 0.000 0.423 34 Y N 3.655 124.033 120.300 0.130 0.000 2.341 34 Y HA 0.743 5.240 4.550 -0.089 0.000 0.338 34 Y C 0.068 176.047 175.900 0.130 0.000 0.965 34 Y CA -0.023 58.180 58.100 0.172 0.000 1.108 34 Y CB 1.927 40.556 38.460 0.283 0.000 1.180 34 Y HN 0.638 nan 8.280 nan 0.000 0.458 35 S N 5.251 120.805 115.700 -0.244 0.000 2.634 35 S HA 0.636 5.052 4.470 -0.090 0.000 0.296 35 S C -1.740 172.531 174.600 -0.549 0.000 1.104 35 S CA -0.694 57.264 58.200 -0.403 0.000 0.920 35 S CB 1.666 64.499 63.200 -0.611 0.000 1.111 35 S HN 0.681 nan 8.310 nan 0.000 0.493 36 Y N -0.457 119.400 120.300 -0.738 0.000 2.615 36 Y HA 0.823 5.319 4.550 -0.090 0.000 0.341 36 Y C -1.729 173.867 175.900 -0.505 0.000 1.089 36 Y CA -1.542 56.231 58.100 -0.545 0.000 1.049 36 Y CB 0.927 39.184 38.460 -0.338 0.000 1.296 36 Y HN 0.583 nan 8.280 nan 0.000 0.470 37 F N 2.508 122.015 119.950 -0.738 0.000 2.508 37 F HA 0.664 5.138 4.527 -0.087 0.000 0.325 37 F C -0.877 174.739 175.800 -0.306 0.000 1.090 37 F CA -0.328 57.266 58.000 -0.678 0.000 0.945 37 F CB 1.552 39.845 39.000 -1.178 0.000 1.156 37 F HN 0.811 nan 8.300 nan 0.000 0.463 38 E N 3.288 123.131 120.200 -0.594 0.000 2.412 38 E HA 0.413 4.709 4.350 -0.090 0.000 0.279 38 E C -1.946 174.428 176.600 -0.376 0.000 0.984 38 E CA -1.106 55.163 56.400 -0.220 0.000 0.788 38 E CB 1.357 31.085 29.700 0.046 0.000 1.277 38 E HN 0.522 nan 8.360 nan 0.000 0.455 39 C N 2.452 121.688 119.300 -0.108 0.000 2.136 39 C HA 0.409 4.815 4.460 -0.090 0.000 0.381 39 C C 0.568 175.534 174.990 -0.040 0.000 1.039 39 C CA -0.461 58.517 59.018 -0.067 0.000 1.491 39 C CB -1.700 26.076 27.740 0.061 0.000 1.663 39 C HN 0.639 nan 8.230 nan 0.000 0.470 40 R N 1.923 122.379 120.500 -0.074 0.000 2.547 40 R HA -0.044 4.242 4.340 -0.090 0.000 0.269 40 R C 0.771 177.070 176.300 -0.002 0.000 0.968 40 R CA 0.850 56.932 56.100 -0.031 0.000 1.101 40 R CB 0.493 30.766 30.300 -0.044 0.000 0.898 40 R HN 0.693 nan 8.270 nan 0.000 0.416 54 Y N 1.953 122.270 120.300 0.028 0.000 2.944 54 Y HA 0.174 4.670 4.550 -0.090 0.000 0.335 54 Y C 0.961 176.878 175.900 0.027 0.000 1.075 54 Y CA -0.430 57.688 58.100 0.031 0.000 1.240 54 Y CB 0.846 39.331 38.460 0.042 0.000 1.167 54 Y HN 0.601 nan 8.280 nan 0.000 0.555 55 E N 1.701 121.965 120.200 0.107 0.000 2.208 55 E HA -0.099 4.197 4.350 -0.090 0.000 0.193 55 E C 0.056 176.697 176.600 0.069 0.000 0.988 55 E CA 0.698 57.143 56.400 0.075 0.000 0.828 55 E CB 0.355 30.081 29.700 0.043 0.000 0.763 55 E HN 0.700 nan 8.360 nan 0.000 0.478 56 E N 0.643 120.891 120.200 0.081 0.000 2.293 56 E HA 0.358 4.654 4.350 -0.090 0.000 0.270 56 E C -0.673 175.975 176.600 0.080 0.000 0.879 56 E CA -0.857 55.571 56.400 0.046 0.000 0.756 56 E CB 1.793 31.505 29.700 0.020 0.000 1.208 56 E HN -0.113 nan 8.360 nan 0.000 0.428 57 T N -1.250 113.340 114.554 0.060 0.000 2.912 57 T HA 0.492 4.789 4.350 -0.090 0.000 0.288 57 T C -0.259 174.492 174.700 0.086 0.000 1.030 57 T CA -0.824 61.332 62.100 0.094 0.000 1.020 57 T CB 1.457 70.404 68.868 0.131 0.000 1.056 57 T HN 0.279 nan 8.240 nan 0.000 0.480 58 V N 3.168 123.135 119.914 0.089 0.000 2.385 58 V HA 0.357 4.423 4.120 -0.090 0.000 0.269 58 V C -0.375 175.811 176.094 0.153 0.000 1.043 58 V CA -0.776 61.569 62.300 0.075 0.000 0.906 58 V CB 0.190 32.016 31.823 0.005 0.000 0.995 58 V HN 0.859 nan 8.190 nan 0.000 0.467 59 F N 7.811 127.788 119.950 0.045 0.000 2.404 59 F HA 0.559 5.035 4.527 -0.085 0.000 0.359 59 F C -0.647 175.221 175.800 0.113 0.000 1.134 59 F CA -0.545 57.505 58.000 0.082 0.000 1.160 59 F CB 0.127 39.171 39.000 0.073 0.000 1.186 59 F HN 0.530 nan 8.300 nan 0.000 0.526 60 Y N 4.451 124.397 120.300 -0.590 0.000 2.521 60 Y HA 0.537 5.029 4.550 -0.097 0.000 0.332 60 Y C 0.027 175.652 175.900 -0.457 0.000 1.121 60 Y CA -0.613 57.195 58.100 -0.487 0.000 1.037 60 Y CB 1.869 40.150 38.460 -0.298 0.000 1.330 60 Y HN 0.697 nan 8.280 nan 0.000 0.452 61 G N 3.266 111.326 108.800 -1.233 0.000 2.428 61 G HA2 -0.259 3.648 3.960 -0.090 0.000 0.199 61 G HA3 -0.259 3.648 3.960 -0.090 0.000 0.199 61 G C 0.473 175.101 174.900 -0.454 0.000 1.005 61 G CA 0.155 44.697 45.100 -0.930 0.000 0.671 61 G HN 0.971 nan 8.290 nan 0.000 0.485 62 L N 1.511 122.437 121.223 -0.495 0.000 2.042 62 L HA 0.094 4.380 4.340 -0.090 0.000 0.210 62 L C 2.666 179.419 176.870 -0.196 0.000 1.076 62 L CA 3.329 57.963 54.840 -0.343 0.000 0.749 62 L CB -0.619 41.254 42.059 -0.311 0.000 0.893 62 L HN 0.528 nan 8.230 nan 0.000 0.432 63 Q N -1.970 117.778 119.800 -0.088 0.000 2.197 63 Q HA -0.306 3.980 4.340 -0.090 0.000 0.207 63 Q C 2.228 178.112 176.000 -0.194 0.000 0.984 63 Q CA 2.205 57.962 55.803 -0.077 0.000 0.869 63 Q CB -0.432 28.294 28.738 -0.020 0.000 0.906 63 Q HN 0.699 nan 8.270 nan 0.000 0.426 64 Y N 0.492 120.581 120.300 -0.351 0.000 2.163 64 Y HA -0.195 4.301 4.550 -0.091 0.000 0.288 64 Y C 1.720 177.306 175.900 -0.523 0.000 1.136 64 Y CA 1.826 59.594 58.100 -0.553 0.000 1.147 64 Y CB -0.279 37.897 38.460 -0.474 0.000 0.987 64 Y HN 0.100 nan 8.280 nan 0.000 0.509 65 I N -0.078 120.240 120.570 -0.420 0.000 2.226 65 I HA -0.331 3.786 4.170 -0.090 0.000 0.245 65 I C 2.387 178.310 176.117 -0.323 0.000 1.100 65 I CA 1.355 62.426 61.300 -0.381 0.000 1.374 65 I CB -0.516 37.384 38.000 -0.167 0.000 1.057 65 I HN 0.281 nan 8.210 nan 0.000 0.413 66 L N 0.383 121.444 121.223 -0.270 0.000 1.989 66 L HA -0.257 4.030 4.340 -0.090 0.000 0.211 66 L C 2.422 179.215 176.870 -0.128 0.000 1.071 66 L CA 1.547 56.263 54.840 -0.207 0.000 0.749 66 L CB -0.817 41.181 42.059 -0.103 0.000 0.890 66 L HN 0.355 nan 8.230 nan 0.000 0.431 67 N N 0.025 118.636 118.700 -0.149 0.000 2.106 67 N HA -0.205 4.482 4.740 -0.090 0.000 0.188 67 N C 1.876 177.295 175.510 -0.151 0.000 1.029 67 N CA 1.297 54.306 53.050 -0.067 0.000 0.848 67 N CB -0.062 38.470 38.487 0.075 0.000 1.007 67 N HN 0.316 nan 8.380 nan 0.000 0.423 68 K N -0.295 119.832 120.400 -0.455 0.000 2.103 68 K HA -0.106 4.160 4.320 -0.090 0.000 0.204 68 K C 1.042 177.180 176.600 -0.770 0.000 1.052 68 K CA 1.232 57.086 56.287 -0.721 0.000 0.945 68 K CB 0.108 31.728 32.500 -1.466 0.000 0.722 68 K HN 0.152 nan 8.250 nan 0.000 0.443 69 Y N -1.372 118.708 120.300 -0.366 0.000 2.535 69 Y HA 0.133 4.632 4.550 -0.085 0.000 0.264 69 Y C 1.342 177.194 175.900 -0.079 0.000 1.087 69 Y CA -0.159 57.779 58.100 -0.270 0.000 1.285 69 Y CB 0.483 38.730 38.460 -0.355 0.000 1.200 69 Y HN -0.054 nan 8.280 nan 0.000 0.514 70 L N 0.342 121.579 121.223 0.023 0.000 2.470 70 L HA 0.139 4.425 4.340 -0.090 0.000 0.219 70 L C 0.817 177.791 176.870 0.174 0.000 1.071 70 L CA 0.508 55.354 54.840 0.009 0.000 0.850 70 L CB -0.496 41.375 42.059 -0.312 0.000 1.040 70 L HN 0.037 nan 8.230 nan 0.000 0.475 71 K N -0.429 120.095 120.400 0.207 0.000 2.168 71 K HA 0.521 4.787 4.320 -0.090 0.000 0.258 71 K C 0.617 177.227 176.600 0.017 0.000 1.010 71 K CA 0.223 56.658 56.287 0.245 0.000 0.929 71 K CB 0.663 33.273 32.500 0.184 0.000 0.998 71 K HN 0.077 nan 8.250 nan 0.000 0.479 72 G N 1.175 109.891 108.800 -0.141 0.000 2.632 72 G HA2 -0.313 3.593 3.960 -0.090 0.000 0.224 72 G HA3 -0.313 3.593 3.960 -0.090 0.000 0.224 72 G C -1.065 173.377 174.900 -0.763 0.000 1.341 72 G CA 0.086 44.930 45.100 -0.427 0.000 0.880 72 G HN 0.875 nan 8.290 nan 0.000 0.566 73 K N 0.489 120.592 120.400 -0.494 0.000 2.171 73 K HA 0.455 4.722 4.320 -0.090 0.000 0.274 73 K C 1.504 178.075 176.600 -0.048 0.000 1.110 73 K CA 0.262 56.425 56.287 -0.207 0.000 0.952 73 K CB 0.223 32.741 32.500 0.030 0.000 1.309 73 K HN 1.235 nan 8.250 nan 0.000 0.414 74 V N 1.243 121.156 119.914 -0.002 0.000 3.650 74 V HA 0.176 4.242 4.120 -0.090 0.000 0.271 74 V C 0.214 176.358 176.094 0.083 0.000 1.281 74 V CA -0.236 62.108 62.300 0.074 0.000 1.120 74 V CB 0.380 32.280 31.823 0.128 0.000 0.856 74 V HN 0.224 nan 8.190 nan 0.000 0.443 75 V N 2.128 122.107 119.914 0.108 0.000 2.495 75 V HA 0.763 4.829 4.120 -0.090 0.000 0.298 75 V C 0.160 176.309 176.094 0.091 0.000 1.031 75 V CA 0.497 62.864 62.300 0.113 0.000 0.871 75 V CB 1.442 33.417 31.823 0.254 0.000 0.988 75 V HN 0.675 nan 8.190 nan 0.000 0.432 76 T N 0.927 115.513 114.554 0.053 0.000 2.865 76 T HA 0.517 4.814 4.350 -0.090 0.000 0.294 76 T C 0.502 175.227 174.700 0.043 0.000 1.119 76 T CA -0.888 61.241 62.100 0.048 0.000 1.007 76 T CB 2.101 70.987 68.868 0.028 0.000 1.225 76 T HN 0.385 nan 8.240 nan 0.000 0.515 77 K N 0.686 121.111 120.400 0.042 0.000 2.057 77 K HA 0.002 4.269 4.320 -0.090 0.000 0.207 77 K C 1.864 178.478 176.600 0.024 0.000 1.049 77 K CA 1.409 57.721 56.287 0.043 0.000 0.931 77 K CB -0.508 32.014 32.500 0.037 0.000 0.714 77 K HN 0.604 nan 8.250 nan 0.000 0.440 78 E N 1.368 121.573 120.200 0.008 0.000 2.031 78 E HA -0.109 4.188 4.350 -0.090 0.000 0.193 78 E C 1.799 178.376 176.600 -0.039 0.000 0.994 78 E CA 1.401 57.793 56.400 -0.013 0.000 0.800 78 E CB -0.157 29.534 29.700 -0.015 0.000 0.752 78 E HN 0.249 nan 8.360 nan 0.000 0.447 79 K N 0.176 120.544 120.400 -0.052 0.000 2.103 79 K HA -0.127 4.140 4.320 -0.090 0.000 0.207 79 K C 2.158 178.679 176.600 -0.130 0.000 1.048 79 K CA 1.196 57.418 56.287 -0.108 0.000 0.930 79 K CB -0.257 32.172 32.500 -0.118 0.000 0.716 79 K HN 0.135 nan 8.250 nan 0.000 0.444 80 I N 0.695 121.233 120.570 -0.054 0.000 2.142 80 I HA -0.303 3.813 4.170 -0.090 0.000 0.240 80 I C 2.690 178.827 176.117 0.033 0.000 1.078 80 I CA 1.183 62.502 61.300 0.033 0.000 1.343 80 I CB -0.242 37.840 38.000 0.136 0.000 1.046 80 I HN 0.181 nan 8.210 nan 0.000 0.405 81 Q N 1.340 121.151 119.800 0.018 0.000 2.096 81 Q HA -0.281 4.005 4.340 -0.090 0.000 0.204 81 Q C 1.985 177.944 176.000 -0.069 0.000 0.982 81 Q CA 2.114 57.921 55.803 0.007 0.000 0.850 81 Q CB -0.289 28.453 28.738 0.007 0.000 0.901 81 Q HN 0.510 nan 8.270 nan 0.000 0.422 82 E N -0.925 119.207 120.200 -0.113 0.000 2.085 82 E HA -0.222 4.074 4.350 -0.090 0.000 0.194 82 E C 1.750 178.183 176.600 -0.279 0.000 0.994 82 E CA 1.209 57.508 56.400 -0.169 0.000 0.801 82 E CB -0.310 29.289 29.700 -0.168 0.000 0.743 82 E HN 0.438 nan 8.360 nan 0.000 0.453 83 A N 1.520 124.118 122.820 -0.371 0.000 1.902 83 A HA -0.217 4.049 4.320 -0.090 0.000 0.217 83 A C 2.152 179.338 177.584 -0.662 0.000 1.181 83 A CA 1.762 53.419 52.037 -0.634 0.000 0.623 83 A CB -0.568 17.975 19.000 -0.763 0.000 0.818 83 A HN 0.267 nan 8.150 nan 0.000 0.443 84 K N -0.060 120.068 120.400 -0.453 0.000 2.044 84 K HA -0.234 4.033 4.320 -0.090 0.000 0.210 84 K C 1.914 178.498 176.600 -0.027 0.000 1.049 84 K CA 1.950 58.183 56.287 -0.090 0.000 0.927 84 K CB -0.211 32.383 32.500 0.156 0.000 0.713 84 K HN 0.674 nan 8.250 nan 0.000 0.443 85 E N -0.026 120.127 120.200 -0.078 0.000 2.047 85 E HA -0.148 4.148 4.350 -0.090 0.000 0.191 85 E C 2.101 178.647 176.600 -0.090 0.000 0.987 85 E CA 1.265 57.633 56.400 -0.053 0.000 0.799 85 E CB -0.030 29.632 29.700 -0.064 0.000 0.752 85 E HN 0.077 nan 8.360 nan 0.000 0.449 86 V N 0.937 120.717 119.914 -0.224 0.000 2.255 86 V HA -0.285 3.782 4.120 -0.090 0.000 0.247 86 V C 2.057 178.030 176.094 -0.202 0.000 1.051 86 V CA 1.892 64.007 62.300 -0.307 0.000 1.018 86 V CB -0.654 30.830 31.823 -0.565 0.000 0.641 86 V HN 0.249 nan 8.190 nan 0.000 0.445 87 Y N 0.173 120.457 120.300 -0.027 0.000 2.293 87 Y HA -0.153 4.343 4.550 -0.090 0.000 0.291 87 Y C 2.577 178.634 175.900 0.261 0.000 1.137 87 Y CA 1.451 59.659 58.100 0.180 0.000 1.202 87 Y CB -0.622 37.979 38.460 0.235 0.000 0.990 87 Y HN 0.148 nan 8.280 nan 0.000 0.537 88 R N 1.138 121.808 120.500 0.283 0.000 2.096 88 R HA -0.183 4.103 4.340 -0.090 0.000 0.235 88 R C 2.061 178.470 176.300 0.181 0.000 1.127 88 R CA 2.067 58.304 56.100 0.228 0.000 0.968 88 R CB -0.516 29.871 30.300 0.146 0.000 0.861 88 R HN 0.533 nan 8.270 nan 0.000 0.440 89 E N -1.539 118.735 120.200 0.123 0.000 2.086 89 E HA -0.195 4.101 4.350 -0.090 0.000 0.190 89 E C 1.640 178.296 176.600 0.093 0.000 0.975 89 E CA 0.728 57.177 56.400 0.081 0.000 0.813 89 E CB -0.252 29.466 29.700 0.030 0.000 0.768 89 E HN 0.511 nan 8.360 nan 0.000 0.457 90 H N -0.668 118.384 119.070 -0.029 0.000 2.353 90 H HA -0.117 4.386 4.556 -0.089 0.000 0.300 90 H C 1.016 176.214 175.328 -0.217 0.000 1.090 90 H CA 1.904 57.854 56.048 -0.165 0.000 1.327 90 H CB -0.094 29.518 29.762 -0.250 0.000 1.383 90 H HN 0.190 nan 8.280 nan 0.000 0.508 91 F N 0.054 120.043 119.950 0.065 0.000 2.695 91 F HA 0.163 4.636 4.527 -0.090 0.000 0.303 91 F C 0.751 176.557 175.800 0.010 0.000 1.091 91 F CA 0.062 58.055 58.000 -0.013 0.000 1.300 91 F CB 0.335 39.372 39.000 0.061 0.000 1.071 91 F HN -0.007 nan 8.300 nan 0.000 0.578 92 Q N 1.367 121.270 119.800 0.173 0.000 2.453 92 Q HA -0.266 4.020 4.340 -0.090 0.000 0.294 92 Q C -0.817 175.263 176.000 0.134 0.000 1.295 92 Q CA 1.492 57.365 55.803 0.116 0.000 0.853 92 Q CB -1.633 27.147 28.738 0.070 0.000 1.193 92 Q HN 0.660 nan 8.270 nan 0.000 0.461 93 D N -1.475 119.034 120.400 0.181 0.000 2.912 93 D HA 0.132 4.718 4.640 -0.090 0.000 0.263 93 D C -1.705 174.700 176.300 0.175 0.000 1.152 93 D CA -0.515 53.572 54.000 0.145 0.000 0.728 93 D CB 0.796 41.661 40.800 0.109 0.000 1.337 93 D HN -0.105 nan 8.370 nan 0.000 0.435 94 D N 2.043 122.525 120.400 0.136 0.000 2.468 94 D HA 0.183 4.769 4.640 -0.090 0.000 0.218 94 D C 0.169 176.547 176.300 0.130 0.000 1.155 94 D CA 0.066 54.165 54.000 0.164 0.000 0.924 94 D CB 1.682 42.567 40.800 0.140 0.000 1.029 94 D HN 0.135 nan 8.370 nan 0.000 0.515 95 V N 4.294 124.284 119.914 0.127 0.000 3.645 95 V HA 0.127 4.194 4.120 -0.090 0.000 0.275 95 V C 0.320 176.524 176.094 0.183 0.000 1.356 95 V CA -0.306 62.024 62.300 0.051 0.000 1.051 95 V CB -0.129 31.569 31.823 -0.207 0.000 0.828 95 V HN 0.251 nan 8.190 nan 0.000 0.441 96 F N 2.669 122.670 119.950 0.084 0.000 2.608 96 F HA 0.203 4.676 4.527 -0.090 0.000 0.380 96 F C 0.755 176.567 175.800 0.020 0.000 1.083 96 F CA -0.059 58.002 58.000 0.101 0.000 1.266 96 F CB 0.189 39.316 39.000 0.213 0.000 1.076 96 F HN 0.191 nan 8.300 nan 0.000 0.574 97 N N 5.005 123.199 118.700 -0.844 0.000 3.178 97 N HA -0.042 4.644 4.740 -0.090 0.000 0.300 97 N C 1.189 176.005 175.510 -1.156 0.000 1.242 97 N CA 0.346 52.688 53.050 -1.181 0.000 1.192 97 N CB -0.451 37.008 38.487 -1.713 0.000 1.463 97 N HN 0.878 nan 8.380 nan 0.000 0.539 98 E N 1.603 121.261 120.200 -0.904 0.000 2.058 98 E HA -0.214 4.082 4.350 -0.090 0.000 0.194 98 E C 1.518 177.981 176.600 -0.229 0.000 0.997 98 E CA 0.947 57.064 56.400 -0.472 0.000 0.801 98 E CB 0.176 29.819 29.700 -0.096 0.000 0.746 98 E HN 0.448 nan 8.360 nan 0.000 0.450 99 R N -0.333 120.022 120.500 -0.240 0.000 2.097 99 R HA -0.160 4.126 4.340 -0.090 0.000 0.236 99 R C 2.542 178.768 176.300 -0.124 0.000 1.135 99 R CA 1.492 57.510 56.100 -0.136 0.000 0.934 99 R CB -0.933 29.282 30.300 -0.143 0.000 0.846 99 R HN 0.360 nan 8.270 nan 0.000 0.431 100 G N -0.005 108.589 108.800 -0.343 0.000 2.547 100 G HA2 -0.285 3.621 3.960 -0.090 0.000 0.221 100 G HA3 -0.285 3.621 3.960 -0.090 0.000 0.221 100 G C 1.037 175.901 174.900 -0.061 0.000 1.140 100 G CA 1.160 46.076 45.100 -0.308 0.000 0.760 100 G HN 0.451 nan 8.290 nan 0.000 0.583 101 W N 0.662 121.895 121.300 -0.111 0.000 2.418 101 W HA 0.103 4.709 4.660 -0.090 0.000 0.292 101 W C 2.630 179.196 176.519 0.079 0.000 1.213 101 W CA 0.665 58.033 57.345 0.038 0.000 1.283 101 W CB -0.288 29.154 29.460 -0.030 0.000 1.119 101 W HN 0.222 nan 8.180 nan 0.000 0.542 102 N N -0.656 118.193 118.700 0.249 0.000 2.149 102 N HA -0.294 4.392 4.740 -0.090 0.000 0.188 102 N C 1.580 177.186 175.510 0.160 0.000 1.019 102 N CA 1.506 54.661 53.050 0.175 0.000 0.857 102 N CB -0.524 38.032 38.487 0.116 0.000 0.997 102 N HN 0.126 nan 8.380 nan 0.000 0.426 103 Y N 1.788 122.127 120.300 0.065 0.000 2.128 103 Y HA -0.140 4.356 4.550 -0.089 0.000 0.284 103 Y C 1.937 177.879 175.900 0.069 0.000 1.154 103 Y CA 1.352 59.478 58.100 0.044 0.000 1.149 103 Y CB -0.258 38.229 38.460 0.044 0.000 0.976 103 Y HN 0.024 nan 8.280 nan 0.000 0.505 104 I N -0.694 119.933 120.570 0.094 0.000 2.315 104 I HA -0.255 3.862 4.170 -0.090 0.000 0.248 104 I C 2.265 178.439 176.117 0.094 0.000 1.117 104 I CA 1.028 62.396 61.300 0.114 0.000 1.404 104 I CB -0.423 37.704 38.000 0.212 0.000 1.071 104 I HN 0.311 nan 8.210 nan 0.000 0.419 105 L N 0.980 122.277 121.223 0.123 0.000 1.994 105 L HA -0.206 4.080 4.340 -0.090 0.000 0.208 105 L C 2.348 179.222 176.870 0.006 0.000 1.071 105 L CA 1.973 56.876 54.840 0.105 0.000 0.745 105 L CB -0.611 41.522 42.059 0.123 0.000 0.892 105 L HN 0.179 nan 8.230 nan 0.000 0.431 106 E N -0.800 119.363 120.200 -0.060 0.000 2.072 106 E HA -0.243 4.054 4.350 -0.090 0.000 0.190 106 E C 2.084 178.530 176.600 -0.257 0.000 0.982 106 E CA 1.195 57.522 56.400 -0.121 0.000 0.803 106 E CB -0.022 29.622 29.700 -0.093 0.000 0.755 106 E HN 0.284 nan 8.360 nan 0.000 0.453 107 K N 0.063 120.163 120.400 -0.500 0.000 2.076 107 K HA -0.071 4.195 4.320 -0.090 0.000 0.204 107 K C 0.751 176.869 176.600 -0.804 0.000 1.051 107 K CA 1.157 56.958 56.287 -0.811 0.000 0.949 107 K CB 0.100 31.711 32.500 -1.482 0.000 0.726 107 K HN 0.088 nan 8.250 nan 0.000 0.443 108 Y N 0.364 120.555 120.300 -0.182 0.000 2.636 108 Y HA 0.248 4.745 4.550 -0.089 0.000 0.260 108 Y C -0.346 175.530 175.900 -0.039 0.000 1.177 108 Y CA -0.494 57.544 58.100 -0.103 0.000 1.209 108 Y CB 0.300 38.727 38.460 -0.056 0.000 1.166 108 Y HN 0.138 nan 8.280 nan 0.000 0.531 109 D N 0.875 121.311 120.400 0.059 0.000 2.723 109 D HA -0.190 4.397 4.640 -0.090 0.000 0.236 109 D C 1.336 177.805 176.300 0.281 0.000 1.138 109 D CA 1.446 55.512 54.000 0.110 0.000 0.676 109 D CB -1.159 39.663 40.800 0.037 0.000 1.069 109 D HN 0.721 nan 8.370 nan 0.000 0.430 110 G N -0.595 108.360 108.800 0.257 0.000 2.162 110 G HA2 -0.343 3.564 3.960 -0.090 0.000 0.260 110 G HA3 -0.343 3.564 3.960 -0.090 0.000 0.260 110 G C 0.120 175.185 174.900 0.275 0.000 0.976 110 G CA 0.491 45.746 45.100 0.259 0.000 0.655 110 G HN 0.699 nan 8.290 nan 0.000 0.533 111 H N -0.423 118.733 119.070 0.143 0.000 2.502 111 H HA 0.587 5.089 4.556 -0.089 0.000 0.327 111 H C 0.939 176.310 175.328 0.071 0.000 1.099 111 H CA -0.642 55.469 56.048 0.106 0.000 1.323 111 H CB 0.894 30.689 29.762 0.055 0.000 1.450 111 H HN 0.214 nan 8.280 nan 0.000 0.502 112 L N 5.765 127.095 121.223 0.178 0.000 2.433 112 L HA 0.170 4.456 4.340 -0.090 0.000 0.275 112 L C -1.754 175.104 176.870 -0.020 0.000 1.128 112 L CA -1.617 53.284 54.840 0.101 0.000 0.875 112 L CB 0.523 42.696 42.059 0.190 0.000 1.171 112 L HN 0.490 nan 8.230 nan 0.000 0.463 113 P HA 0.173 nan 4.420 nan 0.000 0.231 113 P C -0.774 176.431 177.300 -0.158 0.000 1.811 113 P CA 0.098 62.977 63.100 -0.368 0.000 1.051 113 P CB -0.337 30.985 31.700 -0.630 0.000 1.951 114 I N -2.506 118.067 120.570 0.005 0.000 2.894 114 I HA 0.637 4.753 4.170 -0.090 0.000 0.302 114 I C -1.108 175.130 176.117 0.202 0.000 1.188 114 I CA -1.514 59.839 61.300 0.089 0.000 1.014 114 I CB 3.213 41.277 38.000 0.106 0.000 1.242 114 I HN -0.129 nan 8.210 nan 0.000 0.430 115 E N 3.471 123.781 120.200 0.183 0.000 2.210 115 E HA 0.666 4.962 4.350 -0.090 0.000 0.266 115 E C -1.843 174.898 176.600 0.235 0.000 0.883 115 E CA -0.809 55.717 56.400 0.211 0.000 0.761 115 E CB 2.472 32.258 29.700 0.144 0.000 1.156 115 E HN 0.603 nan 8.360 nan 0.000 0.412 116 V N 4.610 124.690 119.914 0.277 0.000 2.487 116 V HA 0.413 4.479 4.120 -0.090 0.000 0.298 116 V C -0.493 175.734 176.094 0.220 0.000 1.028 116 V CA -0.815 61.623 62.300 0.231 0.000 0.860 116 V CB 1.708 33.626 31.823 0.157 0.000 0.991 116 V HN 0.616 nan 8.190 nan 0.000 0.427 117 K N 3.128 123.658 120.400 0.217 0.000 2.270 117 K HA 0.917 5.183 4.320 -0.090 0.000 0.255 117 K C -0.572 176.153 176.600 0.209 0.000 0.936 117 K CA -0.493 55.911 56.287 0.196 0.000 0.809 117 K CB 2.555 35.150 32.500 0.158 0.000 1.131 117 K HN 0.840 nan 8.250 nan 0.000 0.427 118 A N 1.223 124.153 122.820 0.183 0.000 2.594 118 A HA 0.590 4.856 4.320 -0.090 0.000 0.291 118 A C -0.677 176.936 177.584 0.049 0.000 1.105 118 A CA -0.856 51.242 52.037 0.101 0.000 0.694 118 A CB 0.946 20.052 19.000 0.178 0.000 1.291 118 A HN 0.482 nan 8.150 nan 0.000 0.410 119 V N -1.555 118.247 119.914 -0.186 0.000 3.003 119 V HA 0.531 4.598 4.120 -0.090 0.000 0.305 119 V C -2.596 173.548 176.094 0.084 0.000 1.078 119 V CA -1.848 60.409 62.300 -0.073 0.000 1.083 119 V CB -0.033 31.677 31.823 -0.189 0.000 1.039 119 V HN 0.655 nan 8.190 nan 0.000 0.481 120 P HA 0.081 nan 4.420 nan 0.000 0.265 120 P C -0.186 177.021 177.300 -0.154 0.000 1.193 120 P CA 0.184 63.167 63.100 -0.194 0.000 0.765 120 P CB 0.207 31.775 31.700 -0.219 0.000 0.823 121 E N 1.990 121.963 120.200 -0.379 0.000 2.465 121 E HA 0.103 4.399 4.350 -0.090 0.000 0.260 121 E C 1.474 178.011 176.600 -0.104 0.000 0.980 121 E CA 1.437 57.822 56.400 -0.026 0.000 0.927 121 E CB -0.039 29.733 29.700 0.121 0.000 0.934 121 E HN 0.817 nan 8.360 nan 0.000 0.459 122 G N 2.952 111.756 108.800 0.006 0.000 2.213 122 G HA2 -0.282 3.624 3.960 -0.090 0.000 0.236 122 G HA3 -0.282 3.624 3.960 -0.090 0.000 0.236 122 G C 0.468 175.350 174.900 -0.030 0.000 0.991 122 G CA 0.199 45.249 45.100 -0.082 0.000 0.629 122 G HN 0.481 nan 8.290 nan 0.000 0.517 123 S N -0.167 115.556 115.700 0.038 0.000 2.558 123 S HA 0.371 4.787 4.470 -0.090 0.000 0.291 123 S C 0.546 175.165 174.600 0.031 0.000 1.306 123 S CA 0.244 58.468 58.200 0.039 0.000 1.056 123 S CB 1.815 65.050 63.200 0.057 0.000 0.836 123 S HN 0.801 nan 8.310 nan 0.000 0.504 124 V N 5.312 125.221 119.914 -0.009 0.000 2.311 124 V HA 0.357 4.423 4.120 -0.090 0.000 0.275 124 V C -0.268 175.724 176.094 -0.169 0.000 1.022 124 V CA -0.447 61.831 62.300 -0.037 0.000 0.830 124 V CB 0.410 32.225 31.823 -0.013 0.000 1.012 124 V HN 0.626 nan 8.190 nan 0.000 0.452 125 I N 6.704 127.151 120.570 -0.204 0.000 2.509 125 I HA 0.502 4.618 4.170 -0.090 0.000 0.293 125 I C -2.529 173.428 176.117 -0.267 0.000 1.020 125 I CA -2.790 58.243 61.300 -0.445 0.000 1.088 125 I CB 2.021 39.811 38.000 -0.351 0.000 1.267 125 I HN 0.326 nan 8.210 nan 0.000 0.430 126 P HA 0.162 nan 4.420 nan 0.000 0.269 126 P C -0.037 177.232 177.300 -0.053 0.000 1.215 126 P CA -0.414 62.627 63.100 -0.100 0.000 0.780 126 P CB 0.489 32.169 31.700 -0.034 0.000 0.898 127 R N 1.531 122.034 120.500 0.004 0.000 2.811 127 R HA 0.188 4.474 4.340 -0.090 0.000 0.265 127 R C 1.462 177.770 176.300 0.013 0.000 1.026 127 R CA 1.136 57.248 56.100 0.021 0.000 1.142 127 R CB -1.067 29.258 30.300 0.041 0.000 1.027 127 R HN 0.911 nan 8.270 nan 0.000 0.465 128 G N 1.091 109.901 108.800 0.015 0.000 2.143 128 G HA2 -0.316 3.590 3.960 -0.090 0.000 0.248 128 G HA3 -0.316 3.590 3.960 -0.090 0.000 0.248 128 G C -0.142 174.767 174.900 0.015 0.000 0.991 128 G CA 0.529 45.639 45.100 0.017 0.000 0.689 128 G HN 0.634 nan 8.290 nan 0.000 0.522 129 N N -1.464 117.241 118.700 0.009 0.000 2.335 129 N HA 0.549 5.235 4.740 -0.090 0.000 0.304 129 N C -0.083 175.438 175.510 0.020 0.000 1.135 129 N CA -0.491 52.558 53.050 -0.002 0.000 0.817 129 N CB 2.606 41.073 38.487 -0.032 0.000 1.294 129 N HN 0.237 nan 8.380 nan 0.000 0.497 130 V N 3.137 123.051 119.914 -0.000 0.000 2.529 130 V HA 0.071 4.138 4.120 -0.090 0.000 0.292 130 V C 0.494 176.588 176.094 0.000 0.000 1.028 130 V CA 0.571 62.892 62.300 0.034 0.000 1.074 130 V CB -0.268 31.529 31.823 -0.043 0.000 0.958 130 V HN 0.633 nan 8.190 nan 0.000 0.481 131 L N 6.778 128.016 121.223 0.025 0.000 2.388 131 L HA 0.399 4.685 4.340 -0.090 0.000 0.209 131 L C 0.244 177.040 176.870 -0.124 0.000 1.061 131 L CA 0.360 55.137 54.840 -0.105 0.000 0.834 131 L CB 0.054 42.159 42.059 0.077 0.000 1.029 131 L HN 0.765 nan 8.230 nan 0.000 0.473 132 F N -1.497 118.451 119.950 -0.003 0.000 2.693 132 F HA 0.637 5.112 4.527 -0.087 0.000 0.309 132 F C -0.803 175.054 175.800 0.095 0.000 1.129 132 F CA -1.073 56.932 58.000 0.009 0.000 0.948 132 F CB 1.063 40.083 39.000 0.034 0.000 1.315 132 F HN -0.176 nan 8.300 nan 0.000 0.447 133 T N -0.291 114.463 114.554 0.333 0.000 2.906 133 T HA 0.860 5.156 4.350 -0.090 0.000 0.295 133 T C -1.610 173.209 174.700 0.199 0.000 1.075 133 T CA -0.861 61.286 62.100 0.078 0.000 1.005 133 T CB 1.664 70.441 68.868 -0.150 0.000 1.136 133 T HN 0.913 nan 8.240 nan 0.000 0.498 134 V N 1.857 121.801 119.914 0.052 0.000 2.760 134 V HA 0.803 4.870 4.120 -0.090 0.000 0.309 134 V C -0.716 175.423 176.094 0.076 0.000 1.077 134 V CA -0.849 61.551 62.300 0.167 0.000 0.910 134 V CB 1.586 33.627 31.823 0.362 0.000 1.008 134 V HN 1.223 nan 8.190 nan 0.000 0.424 135 E N 2.733 123.021 120.200 0.147 0.000 2.407 135 E HA 0.423 4.719 4.350 -0.090 0.000 0.279 135 E C -1.640 175.031 176.600 0.118 0.000 1.012 135 E CA -1.032 55.475 56.400 0.180 0.000 0.800 135 E CB 1.903 31.798 29.700 0.324 0.000 1.276 135 E HN 0.617 nan 8.360 nan 0.000 0.452 136 N N 0.668 119.408 118.700 0.068 0.000 2.515 136 N HA 0.085 4.772 4.740 -0.090 0.000 0.279 136 N C 0.429 175.948 175.510 0.015 0.000 1.164 136 N CA 0.021 53.064 53.050 -0.013 0.000 0.982 136 N CB 1.419 39.847 38.487 -0.098 0.000 1.170 136 N HN 0.686 nan 8.380 nan 0.000 0.474 137 T N -4.114 110.424 114.554 -0.026 0.000 3.054 137 T HA 0.080 4.376 4.350 -0.090 0.000 0.255 137 T C -0.159 174.545 174.700 0.007 0.000 1.035 137 T CA -0.154 61.941 62.100 -0.008 0.000 0.941 137 T CB 0.007 68.848 68.868 -0.045 0.000 1.026 137 T HN 0.558 nan 8.240 nan 0.000 0.533 138 D N 1.667 122.071 120.400 0.005 0.000 2.629 138 D HA 0.299 4.885 4.640 -0.090 0.000 0.250 138 D C -1.968 174.370 176.300 0.063 0.000 1.126 138 D CA -2.324 51.732 54.000 0.093 0.000 0.852 138 D CB 2.897 43.830 40.800 0.223 0.000 1.335 138 D HN -0.154 nan 8.370 nan 0.000 0.518 139 P HA -0.143 nan 4.420 nan 0.000 0.221 139 P C 0.811 178.176 177.300 0.109 0.000 1.145 139 P CA 0.850 63.992 63.100 0.069 0.000 0.795 139 P CB 0.683 32.410 31.700 0.045 0.000 0.775 140 E N -0.519 119.711 120.200 0.051 0.000 2.152 140 E HA -0.068 4.228 4.350 -0.090 0.000 0.192 140 E C 1.064 177.677 176.600 0.021 0.000 0.983 140 E CA 0.762 57.158 56.400 -0.007 0.000 0.818 140 E CB -0.524 28.926 29.700 -0.418 0.000 0.758 140 E HN 0.316 nan 8.360 nan 0.000 0.467 141 C N 2.064 121.268 119.300 -0.161 0.000 2.306 141 C HA 0.165 4.571 4.460 -0.090 0.000 0.341 141 C C 1.707 176.229 174.990 -0.781 0.000 1.381 141 C CA -1.059 57.521 59.018 -0.730 0.000 1.784 141 C CB -2.413 24.959 27.740 -0.613 0.000 2.555 141 C HN 0.429 nan 8.230 nan 0.000 0.565 142 Y N -0.304 119.788 120.300 -0.347 0.000 2.333 142 Y HA -0.136 4.361 4.550 -0.089 0.000 0.290 142 Y C 2.117 177.855 175.900 -0.270 0.000 1.144 142 Y CA 1.106 59.057 58.100 -0.248 0.000 1.228 142 Y CB -0.779 37.587 38.460 -0.156 0.000 0.985 142 Y HN 0.645 nan 8.280 nan 0.000 0.542 143 W N -0.012 120.710 121.300 -0.964 0.000 2.800 143 W HA 0.097 4.703 4.660 -0.090 0.000 0.249 143 W C 1.107 177.567 176.519 -0.099 0.000 1.294 143 W CA 0.024 57.092 57.345 -0.462 0.000 1.402 143 W CB -0.843 28.320 29.460 -0.495 0.000 1.126 143 W HN 0.239 nan 8.180 nan 0.000 0.652 144 L N 2.494 123.157 121.223 -0.934 0.000 2.156 144 L HA -0.065 4.221 4.340 -0.090 0.000 0.208 144 L C 2.445 179.258 176.870 -0.094 0.000 1.095 144 L CA 2.341 56.759 54.840 -0.704 0.000 0.770 144 L CB -1.034 40.383 42.059 -1.070 0.000 0.914 144 L HN -0.170 nan 8.230 nan 0.000 0.439 145 T N 0.117 114.642 114.554 -0.047 0.000 2.597 145 T HA -0.267 4.029 4.350 -0.090 0.000 0.267 145 T C 1.594 176.482 174.700 0.314 0.000 1.053 145 T CA 2.410 64.595 62.100 0.141 0.000 1.165 145 T CB -0.512 68.443 68.868 0.144 0.000 0.863 145 T HN 0.527 nan 8.240 nan 0.000 0.427 146 N N -0.349 118.576 118.700 0.375 0.000 2.463 146 N HA -0.009 4.677 4.740 -0.090 0.000 0.181 146 N C 1.572 177.305 175.510 0.372 0.000 1.078 146 N CA 0.017 53.336 53.050 0.447 0.000 0.902 146 N CB 0.034 38.823 38.487 0.503 0.000 0.970 146 N HN 0.463 nan 8.380 nan 0.000 0.451 147 W N 3.057 124.500 121.300 0.239 0.000 2.358 147 W HA -0.074 4.532 4.660 -0.091 0.000 0.303 147 W C 1.282 177.901 176.519 0.167 0.000 1.208 147 W CA 0.985 58.480 57.345 0.251 0.000 1.274 147 W CB -0.080 29.611 29.460 0.385 0.000 1.138 147 W HN 0.014 nan 8.180 nan 0.000 0.515 148 I N -0.420 120.415 120.570 0.442 0.000 3.749 148 I HA 0.061 4.178 4.170 -0.090 0.000 0.314 148 I C 1.799 177.901 176.117 -0.025 0.000 1.267 148 I CA 0.749 62.199 61.300 0.250 0.000 1.169 148 I CB -0.767 37.354 38.000 0.202 0.000 1.009 148 I HN -0.003 nan 8.210 nan 0.000 0.444 149 E N 2.275 122.381 120.200 -0.157 0.000 2.031 149 E HA -0.211 4.086 4.350 -0.090 0.000 0.193 149 E C 1.752 178.159 176.600 -0.322 0.000 0.994 149 E CA 2.429 58.442 56.400 -0.644 0.000 0.800 149 E CB -0.137 29.226 29.700 -0.560 0.000 0.752 149 E HN 0.512 nan 8.360 nan 0.000 0.447 150 T N 1.434 115.916 114.554 -0.120 0.000 2.665 150 T HA -0.229 4.067 4.350 -0.090 0.000 0.268 150 T C 1.909 176.602 174.700 -0.011 0.000 1.035 150 T CA 1.625 63.708 62.100 -0.028 0.000 1.151 150 T CB -0.410 68.450 68.868 -0.013 0.000 0.862 150 T HN 0.268 nan 8.240 nan 0.000 0.438 151 I N 0.773 121.328 120.570 -0.025 0.000 2.202 151 I HA -0.055 4.061 4.170 -0.090 0.000 0.242 151 I C 2.030 178.117 176.117 -0.051 0.000 1.091 151 I CA 1.386 62.660 61.300 -0.043 0.000 1.368 151 I CB -0.270 37.717 38.000 -0.021 0.000 1.058 151 I HN 0.196 nan 8.210 nan 0.000 0.410 152 L N -0.765 120.418 121.223 -0.067 0.000 2.156 152 L HA -0.122 4.164 4.340 -0.090 0.000 0.208 152 L C 2.455 179.364 176.870 0.064 0.000 1.095 152 L CA 0.550 55.355 54.840 -0.058 0.000 0.770 152 L CB -0.661 41.383 42.059 -0.026 0.000 0.914 152 L HN 0.095 nan 8.230 nan 0.000 0.439 153 V N -0.200 119.783 119.914 0.114 0.000 2.594 153 V HA -0.260 3.807 4.120 -0.090 0.000 0.253 153 V C 2.265 178.627 176.094 0.446 0.000 1.069 153 V CA 1.418 63.927 62.300 0.349 0.000 1.082 153 V CB -0.541 31.452 31.823 0.283 0.000 0.680 153 V HN 0.540 nan 8.190 nan 0.000 0.469 154 Q N 0.331 120.287 119.800 0.261 0.000 2.561 154 Q HA -0.130 4.156 4.340 -0.090 0.000 0.217 154 Q C 2.211 178.166 176.000 -0.076 0.000 0.980 154 Q CA 1.302 57.209 55.803 0.175 0.000 0.927 154 Q CB -0.287 28.488 28.738 0.060 0.000 0.980 154 Q HN 0.831 nan 8.270 nan 0.000 0.525 155 S N 0.396 116.087 115.700 -0.014 0.000 2.507 155 S HA -0.120 4.296 4.470 -0.090 0.000 0.235 155 S C 1.584 176.140 174.600 -0.074 0.000 0.988 155 S CA 0.221 58.331 58.200 -0.150 0.000 0.944 155 S CB -0.717 62.336 63.200 -0.246 0.000 0.762 155 S HN 0.692 nan 8.310 nan 0.000 0.526 156 W N 0.929 122.340 121.300 0.184 0.000 2.342 156 W HA -0.237 4.374 4.660 -0.082 0.000 0.297 156 W C 1.775 178.408 176.519 0.190 0.000 1.213 156 W CA 0.846 58.367 57.345 0.293 0.000 1.251 156 W CB -1.164 28.495 29.460 0.333 0.000 1.136 156 W HN 0.363 nan 8.180 nan 0.000 0.526 157 Y N 4.269 123.786 120.300 -1.305 0.000 2.070 157 Y HA -0.131 4.363 4.550 -0.093 0.000 0.279 157 Y C -0.071 175.534 175.900 -0.493 0.000 1.134 157 Y CA 2.211 59.498 58.100 -1.355 0.000 1.113 157 Y CB -1.965 35.621 38.460 -1.457 0.000 0.981 157 Y HN -0.226 nan 8.280 nan 0.000 0.487 158 P HA -0.179 nan 4.420 nan 0.000 0.220 158 P C 1.775 178.958 177.300 -0.195 0.000 1.148 158 P CA 1.921 64.777 63.100 -0.406 0.000 0.803 158 P CB -0.136 31.356 31.700 -0.346 0.000 0.782 159 I N -0.178 120.304 120.570 -0.147 0.000 2.202 159 I HA -0.182 3.935 4.170 -0.090 0.000 0.242 159 I C 2.334 178.454 176.117 0.004 0.000 1.091 159 I CA 1.735 63.032 61.300 -0.005 0.000 1.368 159 I CB -1.094 36.984 38.000 0.131 0.000 1.058 159 I HN -0.019 nan 8.210 nan 0.000 0.410 160 T N 0.328 114.885 114.554 0.004 0.000 2.777 160 T HA -0.107 4.189 4.350 -0.090 0.000 0.266 160 T C 2.005 176.650 174.700 -0.092 0.000 1.040 160 T CA 1.073 63.179 62.100 0.009 0.000 1.141 160 T CB -0.232 68.766 68.868 0.216 0.000 0.868 160 T HN 0.081 nan 8.240 nan 0.000 0.444 161 V N 1.727 121.501 119.914 -0.232 0.000 2.295 161 V HA -0.167 3.900 4.120 -0.090 0.000 0.246 161 V C 2.906 178.947 176.094 -0.089 0.000 1.049 161 V CA 1.770 63.937 62.300 -0.223 0.000 1.024 161 V CB -1.193 30.365 31.823 -0.443 0.000 0.648 161 V HN 0.526 nan 8.190 nan 0.000 0.447 162 A N -0.375 122.393 122.820 -0.088 0.000 1.902 162 A HA -0.228 4.038 4.320 -0.090 0.000 0.217 162 A C 2.393 179.971 177.584 -0.010 0.000 1.181 162 A CA 2.568 54.571 52.037 -0.057 0.000 0.623 162 A CB -0.974 17.979 19.000 -0.079 0.000 0.818 162 A HN 0.519 nan 8.150 nan 0.000 0.443 163 T N 0.106 114.664 114.554 0.006 0.000 2.737 163 T HA -0.152 4.144 4.350 -0.090 0.000 0.265 163 T C 1.958 176.733 174.700 0.125 0.000 1.038 163 T CA 1.651 63.785 62.100 0.057 0.000 1.144 163 T CB -0.456 68.437 68.868 0.042 0.000 0.866 163 T HN 0.645 nan 8.240 nan 0.000 0.434 164 N N 0.789 119.538 118.700 0.082 0.000 2.166 164 N HA -0.090 4.596 4.740 -0.090 0.000 0.186 164 N C 1.995 177.613 175.510 0.180 0.000 1.019 164 N CA 1.497 54.662 53.050 0.191 0.000 0.856 164 N CB -0.382 38.157 38.487 0.087 0.000 0.993 164 N HN 0.238 nan 8.380 nan 0.000 0.426 165 S N -0.162 115.626 115.700 0.147 0.000 2.368 165 S HA -0.091 4.325 4.470 -0.090 0.000 0.224 165 S C 2.014 176.763 174.600 0.248 0.000 1.029 165 S CA 1.018 59.359 58.200 0.236 0.000 0.988 165 S CB -0.337 63.044 63.200 0.303 0.000 0.838 165 S HN 0.419 nan 8.310 nan 0.000 0.462 166 R N 0.511 121.086 120.500 0.124 0.000 2.096 166 R HA -0.039 4.247 4.340 -0.090 0.000 0.235 166 R C 2.062 178.408 176.300 0.076 0.000 1.127 166 R CA 1.581 57.709 56.100 0.046 0.000 0.968 166 R CB -0.190 30.107 30.300 -0.006 0.000 0.861 166 R HN 0.334 nan 8.270 nan 0.000 0.440 167 E N 0.564 120.836 120.200 0.120 0.000 2.204 167 E HA -0.195 4.101 4.350 -0.090 0.000 0.194 167 E C 1.895 178.539 176.600 0.072 0.000 0.989 167 E CA 1.168 57.621 56.400 0.089 0.000 0.824 167 E CB 0.013 29.779 29.700 0.110 0.000 0.756 167 E HN 0.557 nan 8.360 nan 0.000 0.477 168 Q N 0.156 120.025 119.800 0.115 0.000 2.187 168 Q HA -0.042 4.244 4.340 -0.090 0.000 0.199 168 Q C 2.118 178.208 176.000 0.150 0.000 0.957 168 Q CA 0.785 56.639 55.803 0.086 0.000 0.857 168 Q CB -0.002 28.773 28.738 0.061 0.000 0.929 168 Q HN 0.079 nan 8.270 nan 0.000 0.453 169 K N 1.338 121.885 120.400 0.244 0.000 2.147 169 K HA -0.160 4.106 4.320 -0.090 0.000 0.205 169 K C 1.733 178.380 176.600 0.079 0.000 1.049 169 K CA 1.105 57.521 56.287 0.216 0.000 0.936 169 K CB 0.187 32.629 32.500 -0.096 0.000 0.722 169 K HN 0.004 nan 8.250 nan 0.000 0.446 170 K N 0.435 120.864 120.400 0.049 0.000 2.026 170 K HA -0.110 4.156 4.320 -0.090 0.000 0.208 170 K C 2.087 178.726 176.600 0.065 0.000 1.048 170 K CA 1.651 57.958 56.287 0.032 0.000 0.929 170 K CB -0.142 32.369 32.500 0.019 0.000 0.713 170 K HN 0.154 nan 8.250 nan 0.000 0.439 171 I N 1.155 121.768 120.570 0.072 0.000 2.179 171 I HA -0.318 3.799 4.170 -0.090 0.000 0.242 171 I C 2.240 178.455 176.117 0.163 0.000 1.088 171 I CA 1.286 62.652 61.300 0.110 0.000 1.357 171 I CB -0.286 37.719 38.000 0.009 0.000 1.051 171 I HN 0.121 nan 8.210 nan 0.000 0.409 172 L N 0.441 121.727 121.223 0.104 0.000 2.017 172 L HA -0.225 4.061 4.340 -0.090 0.000 0.208 172 L C 2.857 179.816 176.870 0.149 0.000 1.073 172 L CA 1.475 56.396 54.840 0.134 0.000 0.745 172 L CB -0.724 41.438 42.059 0.170 0.000 0.894 172 L HN 0.257 nan 8.230 nan 0.000 0.432 173 A N 0.023 122.906 122.820 0.105 0.000 1.908 173 A HA -0.280 3.986 4.320 -0.090 0.000 0.218 173 A C 2.391 180.006 177.584 0.053 0.000 1.181 173 A CA 2.143 54.216 52.037 0.060 0.000 0.627 173 A CB -0.512 18.497 19.000 0.015 0.000 0.818 173 A HN 0.370 nan 8.150 nan 0.000 0.445 174 K N -1.648 118.793 120.400 0.068 0.000 2.026 174 K HA -0.189 4.077 4.320 -0.090 0.000 0.208 174 K C 1.813 178.373 176.600 -0.068 0.000 1.048 174 K CA 1.919 58.204 56.287 -0.002 0.000 0.929 174 K CB -0.361 32.141 32.500 0.003 0.000 0.713 174 K HN 0.561 nan 8.250 nan 0.000 0.439 175 Y N 0.218 120.507 120.300 -0.019 0.000 2.337 175 Y HA -0.120 4.376 4.550 -0.090 0.000 0.293 175 Y C 2.019 177.883 175.900 -0.060 0.000 1.123 175 Y CA 0.463 58.540 58.100 -0.038 0.000 1.201 175 Y CB 0.036 38.487 38.460 -0.015 0.000 1.011 175 Y HN 0.119 nan 8.280 nan 0.000 0.545 176 L N -0.114 121.179 121.223 0.116 0.000 2.056 176 L HA -0.165 4.121 4.340 -0.090 0.000 0.207 176 L C 2.085 178.952 176.870 -0.005 0.000 1.078 176 L CA 1.478 56.352 54.840 0.056 0.000 0.749 176 L CB -0.801 41.306 42.059 0.080 0.000 0.901 176 L HN 0.288 nan 8.230 nan 0.000 0.433 177 L N -0.625 120.590 121.223 -0.013 0.000 2.027 177 L HA -0.214 4.073 4.340 -0.090 0.000 0.206 177 L C 2.525 179.356 176.870 -0.065 0.000 1.074 177 L CA 1.947 56.767 54.840 -0.033 0.000 0.745 177 L CB -0.256 41.782 42.059 -0.034 0.000 0.898 177 L HN 0.464 nan 8.230 nan 0.000 0.433 178 E N 0.019 120.153 120.200 -0.111 0.000 2.051 178 E HA -0.235 4.061 4.350 -0.090 0.000 0.192 178 E C 1.826 178.300 176.600 -0.210 0.000 0.991 178 E CA 2.349 58.658 56.400 -0.151 0.000 0.799 178 E CB -0.189 29.366 29.700 -0.240 0.000 0.748 178 E HN 0.562 nan 8.360 nan 0.000 0.449 179 T N -2.701 111.655 114.554 -0.331 0.000 3.065 179 T HA 0.086 4.382 4.350 -0.090 0.000 0.252 179 T C 1.711 176.280 174.700 -0.218 0.000 1.099 179 T CA 0.756 62.480 62.100 -0.627 0.000 1.063 179 T CB -0.046 68.355 68.868 -0.778 0.000 0.948 179 T HN 0.185 nan 8.240 nan 0.000 0.506 180 S N -0.453 115.194 115.700 -0.088 0.000 2.593 180 S HA 0.523 4.939 4.470 -0.090 0.000 0.235 180 S C 1.872 176.474 174.600 0.004 0.000 1.059 180 S CA 0.646 58.839 58.200 -0.012 0.000 0.953 180 S CB 0.016 63.215 63.200 -0.002 0.000 0.897 180 S HN 1.165 nan 8.310 nan 0.000 0.507 181 G N 1.782 110.578 108.800 -0.008 0.000 2.175 181 G HA2 -0.212 3.695 3.960 -0.090 0.000 0.244 181 G HA3 -0.212 3.695 3.960 -0.090 0.000 0.244 181 G C -0.176 174.723 174.900 -0.002 0.000 0.982 181 G CA 0.314 45.414 45.100 -0.000 0.000 0.641 181 G HN 1.144 nan 8.290 nan 0.000 0.527 182 N N -1.643 117.056 118.700 -0.002 0.000 3.243 182 N HA 0.658 5.344 4.740 -0.090 0.000 0.280 182 N C 0.017 175.530 175.510 0.005 0.000 1.545 182 N CA -1.007 52.044 53.050 0.001 0.000 0.854 182 N CB 0.408 38.898 38.487 0.004 0.000 1.612 182 N HN 0.051 nan 8.380 nan 0.000 0.577 183 L N -0.626 120.601 121.223 0.007 0.000 3.110 183 L HA 0.395 4.681 4.340 -0.090 0.000 0.266 183 L C -0.753 176.132 176.870 0.025 0.000 1.257 183 L CA -0.501 54.347 54.840 0.014 0.000 1.038 183 L CB -0.228 41.831 42.059 -0.002 0.000 1.395 183 L HN 0.479 nan 8.230 nan 0.000 0.566 184 D N 1.610 122.027 120.400 0.027 0.000 2.458 184 D HA 0.181 4.767 4.640 -0.090 0.000 0.243 184 D C 1.328 177.669 176.300 0.069 0.000 1.146 184 D CA 1.342 55.365 54.000 0.038 0.000 0.877 184 D CB 1.405 42.219 40.800 0.024 0.000 1.176 184 D HN 0.376 nan 8.370 nan 0.000 0.461 185 G N 1.891 110.758 108.800 0.111 0.000 2.162 185 G HA2 -0.348 3.558 3.960 -0.090 0.000 0.260 185 G HA3 -0.348 3.558 3.960 -0.090 0.000 0.260 185 G C 1.039 176.072 174.900 0.222 0.000 0.976 185 G CA 0.517 45.740 45.100 0.206 0.000 0.655 185 G HN 0.513 nan 8.290 nan 0.000 0.533 186 L N 1.005 122.305 121.223 0.129 0.000 2.081 186 L HA 0.016 4.302 4.340 -0.090 0.000 0.212 186 L C 2.385 179.340 176.870 0.141 0.000 1.080 186 L CA 3.143 58.055 54.840 0.121 0.000 0.754 186 L CB -0.406 41.671 42.059 0.030 0.000 0.893 186 L HN 0.409 nan 8.230 nan 0.000 0.433 187 E N -1.548 118.647 120.200 -0.009 0.000 2.463 187 E HA -0.178 4.118 4.350 -0.090 0.000 0.201 187 E C 0.716 177.239 176.600 -0.129 0.000 1.045 187 E CA 1.103 57.387 56.400 -0.193 0.000 0.872 187 E CB -0.425 29.028 29.700 -0.411 0.000 0.797 187 E HN 0.678 nan 8.360 nan 0.000 0.538 188 Y N -0.299 120.143 120.300 0.236 0.000 2.660 188 Y HA 0.268 4.761 4.550 -0.095 0.000 0.254 188 Y C 1.186 177.182 175.900 0.160 0.000 1.176 188 Y CA -0.398 57.815 58.100 0.188 0.000 1.195 188 Y CB 0.712 39.236 38.460 0.106 0.000 1.190 188 Y HN -0.135 nan 8.280 nan 0.000 0.535 189 K N 0.201 120.793 120.400 0.320 0.000 2.305 189 K HA 0.138 4.405 4.320 -0.090 0.000 0.199 189 K C -0.112 176.535 176.600 0.078 0.000 1.047 189 K CA 0.406 56.831 56.287 0.230 0.000 0.976 189 K CB 0.427 33.110 32.500 0.307 0.000 0.765 189 K HN 0.160 nan 8.250 nan 0.000 0.474 190 L N 1.481 122.530 121.223 -0.291 0.000 2.415 190 L HA 0.287 4.573 4.340 -0.090 0.000 0.268 190 L C -1.116 175.522 176.870 -0.388 0.000 0.984 190 L CA -0.512 54.028 54.840 -0.501 0.000 0.853 190 L CB 1.175 42.630 42.059 -1.006 0.000 1.215 190 L HN 0.059 nan 8.230 nan 0.000 0.419 191 H N 2.843 121.695 119.070 -0.364 0.000 2.473 191 H HA 0.249 4.753 4.556 -0.087 0.000 0.327 191 H C -1.055 173.960 175.328 -0.522 0.000 1.105 191 H CA -0.332 55.509 56.048 -0.344 0.000 1.280 191 H CB 1.635 31.140 29.762 -0.430 0.000 1.450 191 H HN 0.631 nan 8.280 nan 0.000 0.492 192 D N 4.297 124.512 120.400 -0.309 0.000 2.352 192 D HA -0.018 4.568 4.640 -0.090 0.000 0.245 192 D C -0.236 176.192 176.300 0.213 0.000 1.224 192 D CA -0.122 53.731 54.000 -0.245 0.000 0.879 192 D CB -0.244 40.422 40.800 -0.224 0.000 1.057 192 D HN 0.308 nan 8.370 nan 0.000 0.491 193 F N 1.599 121.571 119.950 0.037 0.000 2.639 193 F HA 0.324 4.794 4.527 -0.096 0.000 0.302 193 F C 2.061 177.895 175.800 0.057 0.000 1.097 193 F CA -0.728 57.316 58.000 0.073 0.000 1.294 193 F CB 0.451 39.478 39.000 0.045 0.000 1.027 193 F HN 0.497 nan 8.300 nan 0.000 0.550 194 G N -1.675 107.243 108.800 0.198 0.000 3.181 194 G HA2 -0.154 3.753 3.960 -0.090 0.000 0.219 194 G HA3 -0.154 3.753 3.960 -0.090 0.000 0.219 194 G C 1.424 176.439 174.900 0.192 0.000 1.182 194 G CA -0.045 45.144 45.100 0.149 0.000 0.791 194 G HN 0.386 nan 8.290 nan 0.000 0.537 195 Y N 1.667 122.009 120.300 0.069 0.000 2.097 195 Y HA -0.289 4.210 4.550 -0.085 0.000 0.282 195 Y C 3.027 178.947 175.900 0.033 0.000 1.152 195 Y CA 1.664 59.791 58.100 0.046 0.000 1.136 195 Y CB 0.232 38.718 38.460 0.042 0.000 0.975 195 Y HN 0.337 nan 8.280 nan 0.000 0.498 196 R N -0.246 120.363 120.500 0.183 0.000 2.193 196 R HA 0.009 4.295 4.340 -0.090 0.000 0.213 196 R C 1.952 178.298 176.300 0.077 0.000 1.055 196 R CA 1.181 57.315 56.100 0.057 0.000 0.995 196 R CB -0.722 29.580 30.300 0.004 0.000 0.893 196 R HN 0.292 nan 8.270 nan 0.000 0.459 197 G N 1.785 110.649 108.800 0.106 0.000 2.920 197 G HA2 0.112 4.018 3.960 -0.090 0.000 0.208 197 G HA3 0.112 4.018 3.960 -0.090 0.000 0.208 197 G C 0.664 175.616 174.900 0.086 0.000 1.159 197 G CA 0.331 45.483 45.100 0.087 0.000 0.784 197 G HN 0.220 nan 8.290 nan 0.000 0.535 198 V N -1.489 118.488 119.914 0.105 0.000 3.134 198 V HA 0.559 4.626 4.120 -0.090 0.000 0.313 198 V C 1.452 177.578 176.094 0.054 0.000 1.069 198 V CA 0.240 62.588 62.300 0.080 0.000 1.048 198 V CB 1.290 33.166 31.823 0.089 0.000 1.119 198 V HN 0.137 nan 8.190 nan 0.000 0.461 199 S N -0.094 115.616 115.700 0.015 0.000 2.522 199 S HA 0.178 4.594 4.470 -0.090 0.000 0.227 199 S C 0.760 175.367 174.600 0.013 0.000 0.986 199 S CA 0.400 58.604 58.200 0.006 0.000 0.929 199 S CB -0.756 62.433 63.200 -0.019 0.000 0.769 199 S HN 1.855 nan 8.310 nan 0.000 0.529 200 S N -1.254 114.462 115.700 0.026 0.000 2.643 200 S HA 0.373 4.789 4.470 -0.090 0.000 0.266 200 S C -0.061 174.591 174.600 0.085 0.000 1.130 200 S CA -0.856 57.370 58.200 0.044 0.000 0.817 200 S CB 0.725 63.937 63.200 0.021 0.000 1.107 200 S HN -0.085 nan 8.310 nan 0.000 0.471 201 Q N 1.005 120.866 119.800 0.100 0.000 2.046 201 Q HA -0.072 4.214 4.340 -0.090 0.000 0.200 201 Q C 1.891 177.938 176.000 0.079 0.000 0.975 201 Q CA 2.127 58.017 55.803 0.145 0.000 0.836 201 Q CB -0.588 28.228 28.738 0.129 0.000 0.896 201 Q HN 0.922 nan 8.270 nan 0.000 0.428 202 E N -0.041 120.192 120.200 0.056 0.000 2.077 202 E HA -0.151 4.145 4.350 -0.090 0.000 0.193 202 E C 1.717 178.312 176.600 -0.008 0.000 0.989 202 E CA 1.539 57.963 56.400 0.040 0.000 0.800 202 E CB 0.189 29.933 29.700 0.073 0.000 0.746 202 E HN 0.234 nan 8.360 nan 0.000 0.452 203 T N 0.529 115.067 114.554 -0.026 0.000 2.746 203 T HA -0.159 4.137 4.350 -0.090 0.000 0.267 203 T C 1.809 176.510 174.700 0.002 0.000 1.039 203 T CA 1.276 63.333 62.100 -0.072 0.000 1.142 203 T CB -0.340 68.430 68.868 -0.163 0.000 0.866 203 T HN 0.367 nan 8.240 nan 0.000 0.444 204 A N 1.367 124.182 122.820 -0.010 0.000 1.883 204 A HA 0.029 4.296 4.320 -0.090 0.000 0.217 204 A C 2.605 180.087 177.584 -0.170 0.000 1.186 204 A CA 2.065 54.045 52.037 -0.096 0.000 0.624 204 A CB -1.418 17.472 19.000 -0.183 0.000 0.822 204 A HN 0.520 nan 8.150 nan 0.000 0.444 205 G N -0.056 108.655 108.800 -0.149 0.000 2.433 205 G HA2 -0.179 3.727 3.960 -0.090 0.000 0.216 205 G HA3 -0.179 3.727 3.960 -0.090 0.000 0.216 205 G C 1.547 176.345 174.900 -0.171 0.000 1.186 205 G CA 1.135 46.138 45.100 -0.163 0.000 0.779 205 G HN 0.482 nan 8.290 nan 0.000 0.543 206 I N 1.308 121.768 120.570 -0.184 0.000 2.127 206 I HA -0.118 3.998 4.170 -0.090 0.000 0.241 206 I C 3.129 179.197 176.117 -0.081 0.000 1.075 206 I CA 1.200 62.368 61.300 -0.220 0.000 1.334 206 I CB -0.656 37.246 38.000 -0.165 0.000 1.040 206 I HN 0.249 nan 8.210 nan 0.000 0.405 207 G N 0.438 109.275 108.800 0.061 0.000 2.446 207 G HA2 -0.254 3.652 3.960 -0.090 0.000 0.217 207 G HA3 -0.254 3.652 3.960 -0.090 0.000 0.217 207 G C 1.857 176.718 174.900 -0.065 0.000 1.168 207 G CA 0.895 45.973 45.100 -0.036 0.000 0.771 207 G HN 0.507 nan 8.290 nan 0.000 0.551 208 A N 1.169 123.948 122.820 -0.068 0.000 1.933 208 A HA -0.030 4.237 4.320 -0.090 0.000 0.218 208 A C 2.746 180.298 177.584 -0.054 0.000 1.175 208 A CA 2.590 54.586 52.037 -0.069 0.000 0.628 208 A CB -0.708 18.207 19.000 -0.142 0.000 0.814 208 A HN 0.774 nan 8.150 nan 0.000 0.444 209 S N 0.113 115.762 115.700 -0.085 0.000 2.383 209 S HA 0.065 4.481 4.470 -0.090 0.000 0.227 209 S C 2.089 176.658 174.600 -0.051 0.000 1.026 209 S CA 1.258 59.398 58.200 -0.101 0.000 0.981 209 S CB -0.639 62.522 63.200 -0.064 0.000 0.818 209 S HN 0.881 nan 8.310 nan 0.000 0.472 210 A N 1.644 124.466 122.820 0.003 0.000 1.933 210 A HA -0.117 4.149 4.320 -0.090 0.000 0.218 210 A C 2.118 179.642 177.584 -0.101 0.000 1.175 210 A CA 1.907 53.891 52.037 -0.087 0.000 0.628 210 A CB -1.340 17.627 19.000 -0.055 0.000 0.814 210 A HN 0.771 nan 8.150 nan 0.000 0.444 211 H N -0.130 118.874 119.070 -0.110 0.000 2.389 211 H HA 0.074 4.574 4.556 -0.094 0.000 0.299 211 H C 1.595 176.921 175.328 -0.003 0.000 1.081 211 H CA 1.613 57.634 56.048 -0.045 0.000 1.345 211 H CB -0.298 29.429 29.762 -0.059 0.000 1.393 211 H HN 0.349 nan 8.280 nan 0.000 0.520 212 L N -0.284 120.900 121.223 -0.063 0.000 2.450 212 L HA -0.113 4.173 4.340 -0.090 0.000 0.224 212 L C 2.157 179.018 176.870 -0.014 0.000 1.149 212 L CA 0.342 55.150 54.840 -0.054 0.000 0.816 212 L CB -0.170 41.882 42.059 -0.011 0.000 0.932 212 L HN 0.230 nan 8.230 nan 0.000 0.449 213 V N 0.339 120.165 119.914 -0.147 0.000 2.594 213 V HA -0.257 3.809 4.120 -0.090 0.000 0.253 213 V C 1.561 177.399 176.094 -0.425 0.000 1.069 213 V CA 2.170 64.187 62.300 -0.471 0.000 1.082 213 V CB -0.510 30.934 31.823 -0.631 0.000 0.680 213 V HN 0.614 nan 8.190 nan 0.000 0.469 214 N N -2.249 116.226 118.700 -0.375 0.000 2.463 214 N HA 0.237 4.923 4.740 -0.090 0.000 0.183 214 N C 0.028 175.065 175.510 -0.788 0.000 1.064 214 N CA 0.108 52.841 53.050 -0.529 0.000 0.879 214 N CB 0.406 38.616 38.487 -0.461 0.000 1.148 214 N HN 0.377 nan 8.380 nan 0.000 0.451 215 F N -0.142 119.520 119.950 -0.481 0.000 2.654 215 F HA 0.492 4.961 4.527 -0.096 0.000 0.334 215 F C 1.030 176.589 175.800 -0.401 0.000 1.078 215 F CA -0.926 56.789 58.000 -0.474 0.000 0.986 215 F CB 1.790 40.443 39.000 -0.578 0.000 1.362 215 F HN -0.379 nan 8.300 nan 0.000 0.498 216 K N -0.173 120.112 120.400 -0.191 0.000 2.412 216 K HA 0.246 4.512 4.320 -0.090 0.000 0.202 216 K C 0.377 176.972 176.600 -0.009 0.000 1.102 216 K CA -0.042 56.156 56.287 -0.148 0.000 1.027 216 K CB 1.041 33.357 32.500 -0.306 0.000 0.931 216 K HN 0.692 nan 8.250 nan 0.000 0.557 217 G N 0.897 109.662 108.800 -0.058 0.000 2.320 217 G HA2 0.309 4.216 3.960 -0.090 0.000 0.300 217 G HA3 0.309 4.216 3.960 -0.090 0.000 0.300 217 G C -0.836 173.647 174.900 -0.696 0.000 1.126 217 G CA 0.085 45.068 45.100 -0.196 0.000 0.896 217 G HN -0.064 nan 8.290 nan 0.000 0.436 218 T N 0.752 114.952 114.554 -0.590 0.000 2.982 218 T HA 0.358 4.655 4.350 -0.090 0.000 0.321 218 T C -0.745 174.018 174.700 0.105 0.000 1.229 218 T CA -0.549 61.365 62.100 -0.309 0.000 1.044 218 T CB 1.926 70.741 68.868 -0.089 0.000 1.184 218 T HN 0.247 nan 8.240 nan 0.000 0.477 219 D N 1.553 122.136 120.400 0.305 0.000 2.398 219 D HA 0.236 4.822 4.640 -0.090 0.000 0.210 219 D C 0.222 176.649 176.300 0.210 0.000 1.094 219 D CA 0.247 54.443 54.000 0.325 0.000 0.839 219 D CB 0.649 41.686 40.800 0.394 0.000 0.963 219 D HN 0.474 nan 8.370 nan 0.000 0.506 220 T N 1.098 115.697 114.554 0.074 0.000 3.400 220 T HA 0.102 4.398 4.350 -0.090 0.000 0.364 220 T C 1.935 176.520 174.700 -0.193 0.000 1.636 220 T CA -0.252 61.749 62.100 -0.164 0.000 1.211 220 T CB 0.742 69.428 68.868 -0.302 0.000 1.180 220 T HN -0.006 nan 8.240 nan 0.000 0.730 221 V N 0.896 120.779 119.914 -0.052 0.000 2.439 221 V HA -0.239 3.828 4.120 -0.090 0.000 0.253 221 V C 2.658 178.694 176.094 -0.098 0.000 1.074 221 V CA 1.947 64.225 62.300 -0.037 0.000 1.076 221 V CB -1.447 30.409 31.823 0.055 0.000 0.664 221 V HN 0.712 nan 8.190 nan 0.000 0.461 222 A N 1.334 124.044 122.820 -0.184 0.000 2.032 222 A HA -0.036 4.230 4.320 -0.090 0.000 0.221 222 A C 2.394 179.887 177.584 -0.152 0.000 1.165 222 A CA 2.081 54.023 52.037 -0.159 0.000 0.645 222 A CB -1.461 17.389 19.000 -0.250 0.000 0.807 222 A HN 0.787 nan 8.150 nan 0.000 0.453 223 G N -0.067 108.620 108.800 -0.188 0.000 2.422 223 G HA2 -0.154 3.752 3.960 -0.090 0.000 0.218 223 G HA3 -0.154 3.752 3.960 -0.090 0.000 0.218 223 G C 1.486 176.282 174.900 -0.173 0.000 1.140 223 G CA 1.010 46.007 45.100 -0.172 0.000 0.775 223 G HN 0.508 nan 8.290 nan 0.000 0.545 224 I N 1.410 121.885 120.570 -0.158 0.000 2.127 224 I HA -0.232 3.884 4.170 -0.090 0.000 0.241 224 I C 3.312 179.355 176.117 -0.122 0.000 1.075 224 I CA 1.196 62.399 61.300 -0.161 0.000 1.334 224 I CB -0.293 37.626 38.000 -0.135 0.000 1.040 224 I HN 0.243 nan 8.210 nan 0.000 0.405 225 A N 0.574 123.348 122.820 -0.078 0.000 1.940 225 A HA -0.214 4.052 4.320 -0.090 0.000 0.219 225 A C 2.380 179.960 177.584 -0.008 0.000 1.176 225 A CA 1.550 53.561 52.037 -0.044 0.000 0.631 225 A CB -0.867 18.121 19.000 -0.021 0.000 0.814 225 A HN 0.489 nan 8.150 nan 0.000 0.446 226 L N -0.485 120.749 121.223 0.019 0.000 2.017 226 L HA -0.143 4.144 4.340 -0.090 0.000 0.208 226 L C 2.378 179.359 176.870 0.185 0.000 1.073 226 L CA 1.553 56.488 54.840 0.159 0.000 0.745 226 L CB -0.243 41.835 42.059 0.033 0.000 0.894 226 L HN 0.430 nan 8.230 nan 0.000 0.432 227 I N -0.227 120.334 120.570 -0.015 0.000 2.226 227 I HA -0.298 3.818 4.170 -0.090 0.000 0.245 227 I C 2.516 178.639 176.117 0.011 0.000 1.100 227 I CA 0.993 62.239 61.300 -0.091 0.000 1.374 227 I CB -0.410 37.253 38.000 -0.561 0.000 1.057 227 I HN 0.253 nan 8.210 nan 0.000 0.413 228 K N 1.006 121.378 120.400 -0.048 0.000 2.002 228 K HA -0.221 4.045 4.320 -0.090 0.000 0.209 228 K C 2.034 178.596 176.600 -0.064 0.000 1.048 228 K CA 1.450 57.711 56.287 -0.043 0.000 0.930 228 K CB -0.564 31.898 32.500 -0.063 0.000 0.714 228 K HN 0.299 nan 8.250 nan 0.000 0.438 229 K N -0.260 120.062 120.400 -0.130 0.000 2.097 229 K HA -0.123 4.143 4.320 -0.090 0.000 0.205 229 K C 1.544 177.842 176.600 -0.503 0.000 1.050 229 K CA 1.298 57.375 56.287 -0.350 0.000 0.938 229 K CB 0.072 32.262 32.500 -0.516 0.000 0.718 229 K HN 0.108 nan 8.250 nan 0.000 0.442 230 Y N -2.154 118.125 120.300 -0.035 0.000 2.462 230 Y HA 0.110 4.604 4.550 -0.095 0.000 0.253 230 Y C 0.863 176.535 175.900 -0.381 0.000 1.095 230 Y CA 0.046 58.036 58.100 -0.183 0.000 1.283 230 Y CB 0.560 38.929 38.460 -0.151 0.000 1.138 230 Y HN 0.035 nan 8.280 nan 0.000 0.522 231 Y N -1.052 119.360 120.300 0.187 0.000 2.846 231 Y HA 0.506 4.994 4.550 -0.104 0.000 0.258 231 Y C 1.293 177.283 175.900 0.149 0.000 1.077 231 Y CA 0.054 58.285 58.100 0.218 0.000 1.270 231 Y CB 0.342 39.017 38.460 0.359 0.000 1.476 231 Y HN -0.137 nan 8.280 nan 0.000 0.460 232 G N 0.791 109.740 108.800 0.247 0.000 2.777 232 G HA2 0.093 3.999 3.960 -0.090 0.000 0.686 232 G HA3 0.093 3.999 3.960 -0.090 0.000 0.686 232 G C -0.582 174.426 174.900 0.180 0.000 1.177 232 G CA -0.088 45.097 45.100 0.142 0.000 0.775 232 G HN 0.342 nan 8.290 nan 0.000 0.613 233 T N 0.465 115.087 114.554 0.114 0.000 2.900 233 T HA 0.621 4.918 4.350 -0.090 0.000 0.303 233 T C 1.449 176.198 174.700 0.082 0.000 1.142 233 T CA -0.012 62.163 62.100 0.126 0.000 1.007 233 T CB 1.463 70.409 68.868 0.130 0.000 1.156 233 T HN 0.621 nan 8.240 nan 0.000 0.490 234 K N 1.095 121.544 120.400 0.081 0.000 2.026 234 K HA 0.007 4.273 4.320 -0.090 0.000 0.208 234 K C 0.361 176.997 176.600 0.061 0.000 1.048 234 K CA 0.906 57.230 56.287 0.062 0.000 0.929 234 K CB -0.033 32.501 32.500 0.057 0.000 0.713 234 K HN 0.616 nan 8.250 nan 0.000 0.439 235 D N 0.912 121.358 120.400 0.077 0.000 2.382 235 D HA -0.019 4.568 4.640 -0.090 0.000 0.240 235 D C -1.568 174.768 176.300 0.061 0.000 1.146 235 D CA -0.951 53.102 54.000 0.088 0.000 0.897 235 D CB 0.779 41.663 40.800 0.141 0.000 1.197 235 D HN 0.048 nan 8.370 nan 0.000 0.432 236 P HA -0.081 nan 4.420 nan 0.000 0.225 236 P C 0.217 177.507 177.300 -0.017 0.000 1.148 236 P CA 0.675 63.790 63.100 0.024 0.000 0.779 236 P CB 0.610 32.332 31.700 0.036 0.000 0.780 237 V N 1.339 121.232 119.914 -0.036 0.000 2.851 237 V HA 0.207 4.273 4.120 -0.090 0.000 0.307 237 V C -1.764 174.209 176.094 -0.202 0.000 1.129 237 V CA -1.177 61.022 62.300 -0.168 0.000 0.932 237 V CB 3.033 34.673 31.823 -0.305 0.000 1.024 237 V HN -0.176 nan 8.190 nan 0.000 0.426 238 P HA 0.177 nan 4.420 nan 0.000 0.234 238 P C 0.462 177.664 177.300 -0.164 0.000 1.175 238 P CA 0.592 63.622 63.100 -0.117 0.000 0.801 238 P CB 0.948 32.546 31.700 -0.169 0.000 0.891 239 G N -1.102 107.473 108.800 -0.374 0.000 2.574 239 G HA2 0.601 4.507 3.960 -0.090 0.000 0.299 239 G HA3 0.601 4.507 3.960 -0.090 0.000 0.299 239 G C -1.860 172.711 174.900 -0.548 0.000 1.298 239 G CA -0.382 44.545 45.100 -0.288 0.000 0.952 239 G HN -0.104 nan 8.290 nan 0.000 0.477 240 Y N -0.567 119.788 120.300 0.092 0.000 2.665 240 Y HA 0.836 5.371 4.550 -0.024 0.000 0.336 240 Y C 0.550 176.559 175.900 0.182 0.000 1.085 240 Y CA -0.815 57.367 58.100 0.136 0.000 1.096 240 Y CB 2.480 41.052 38.460 0.187 0.000 1.301 240 Y HN 0.740 nan 8.280 nan 0.000 0.493 241 S N -0.242 115.666 115.700 0.348 0.000 2.672 241 S HA 0.854 5.270 4.470 -0.090 0.000 0.271 241 S C -1.856 172.850 174.600 0.177 0.000 1.171 241 S CA -0.356 58.040 58.200 0.325 0.000 0.817 241 S CB 1.059 64.420 63.200 0.268 0.000 1.150 241 S HN 1.016 nan 8.310 nan 0.000 0.478 242 V N -0.395 119.567 119.914 0.080 0.000 3.130 242 V HA 0.817 4.884 4.120 -0.090 0.000 0.310 242 V C -3.023 172.986 176.094 -0.142 0.000 1.158 242 V CA -2.339 59.940 62.300 -0.035 0.000 1.029 242 V CB 0.511 32.295 31.823 -0.066 0.000 1.057 242 V HN 0.724 nan 8.190 nan 0.000 0.436 243 P HA 0.609 nan 4.420 nan 0.000 0.268 243 P C -0.616 176.428 177.300 -0.427 0.000 1.205 243 P CA 0.424 63.207 63.100 -0.528 0.000 0.771 243 P CB 0.801 31.781 31.700 -1.200 0.000 0.858 244 A N 1.679 124.289 122.820 -0.351 0.000 2.566 244 A HA 0.706 4.973 4.320 -0.090 0.000 0.297 244 A C -0.886 176.586 177.584 -0.186 0.000 1.059 244 A CA -0.482 51.401 52.037 -0.255 0.000 0.691 244 A CB 1.309 20.170 19.000 -0.232 0.000 1.282 244 A HN 0.537 nan 8.150 nan 0.000 0.401 245 A N 0.980 123.716 122.820 -0.140 0.000 2.257 245 A HA 0.805 5.071 4.320 -0.090 0.000 0.289 245 A C 0.130 177.632 177.584 -0.136 0.000 1.095 245 A CA 0.222 52.218 52.037 -0.070 0.000 0.836 245 A CB 0.374 19.375 19.000 0.002 0.000 1.111 245 A HN 1.163 nan 8.150 nan 0.000 0.497 246 E N -1.022 119.115 120.200 -0.104 0.000 2.423 246 E HA 0.418 4.714 4.350 -0.090 0.000 0.269 246 E C -0.258 176.253 176.600 -0.147 0.000 0.948 246 E CA -0.834 55.453 56.400 -0.188 0.000 0.802 246 E CB 0.398 30.029 29.700 -0.115 0.000 1.339 246 E HN 0.581 nan 8.360 nan 0.000 0.445 247 H N 0.375 119.436 119.070 -0.016 0.000 2.387 247 H HA -0.143 4.360 4.556 -0.089 0.000 0.299 247 H C 2.189 177.533 175.328 0.025 0.000 1.099 247 H CA 2.260 58.299 56.048 -0.014 0.000 1.315 247 H CB -0.088 29.647 29.762 -0.045 0.000 1.380 247 H HN 0.658 nan 8.280 nan 0.000 0.513 248 S N 0.568 116.348 115.700 0.134 0.000 2.368 248 S HA -0.151 4.266 4.470 -0.090 0.000 0.225 248 S C 2.303 176.992 174.600 0.149 0.000 1.030 248 S CA 1.762 60.032 58.200 0.116 0.000 0.999 248 S CB -0.800 62.445 63.200 0.076 0.000 0.844 248 S HN 0.584 nan 8.310 nan 0.000 0.459 249 T N -0.631 114.015 114.554 0.154 0.000 3.072 249 T HA 0.196 4.492 4.350 -0.090 0.000 0.266 249 T C 1.622 176.535 174.700 0.354 0.000 1.127 249 T CA 0.455 62.702 62.100 0.244 0.000 1.107 249 T CB -0.348 68.652 68.868 0.220 0.000 0.910 249 T HN 0.322 nan 8.240 nan 0.000 0.513 250 I N 2.628 123.353 120.570 0.259 0.000 2.685 250 I HA 0.027 4.143 4.170 -0.090 0.000 0.251 250 I C 2.938 179.238 176.117 0.305 0.000 1.102 250 I CA 1.604 63.052 61.300 0.247 0.000 1.442 250 I CB -1.599 36.513 38.000 0.187 0.000 1.194 250 I HN 0.454 nan 8.210 nan 0.000 0.448 251 T N 0.023 114.717 114.554 0.234 0.000 2.929 251 T HA -0.024 4.272 4.350 -0.090 0.000 0.271 251 T C 1.952 176.811 174.700 0.265 0.000 1.085 251 T CA 1.033 63.286 62.100 0.255 0.000 1.125 251 T CB -0.453 68.510 68.868 0.158 0.000 0.874 251 T HN 0.230 nan 8.240 nan 0.000 0.494 252 A N 0.646 123.617 122.820 0.253 0.000 2.019 252 A HA 0.018 4.284 4.320 -0.090 0.000 0.219 252 A C 1.867 179.503 177.584 0.086 0.000 1.164 252 A CA 1.042 53.158 52.037 0.132 0.000 0.644 252 A CB -1.207 17.832 19.000 0.065 0.000 0.805 252 A HN 0.747 nan 8.150 nan 0.000 0.449 253 W N -0.667 120.669 121.300 0.059 0.000 2.699 253 W HA 0.367 4.972 4.660 -0.091 0.000 0.249 253 W C 1.292 177.881 176.519 0.117 0.000 1.280 253 W CA 1.175 58.549 57.345 0.048 0.000 1.345 253 W CB -0.438 29.052 29.460 0.051 0.000 1.128 253 W HN 0.658 nan 8.180 nan 0.000 0.642 254 G N 0.192 109.177 108.800 0.308 0.000 2.788 254 G HA2 -0.264 3.642 3.960 -0.090 0.000 0.686 254 G HA3 -0.264 3.642 3.960 -0.090 0.000 0.686 254 G C 0.486 175.471 174.900 0.142 0.000 1.147 254 G CA -0.203 45.029 45.100 0.219 0.000 0.755 254 G HN 0.112 nan 8.290 nan 0.000 0.634 255 K N -0.041 120.332 120.400 -0.044 0.000 2.113 255 K HA -0.170 4.096 4.320 -0.090 0.000 0.208 255 K C 1.580 177.933 176.600 -0.412 0.000 1.047 255 K CA 2.127 58.148 56.287 -0.444 0.000 0.928 255 K CB -0.078 32.041 32.500 -0.635 0.000 0.716 255 K HN 0.515 nan 8.250 nan 0.000 0.446 256 D N -0.471 119.721 120.400 -0.348 0.000 2.363 256 D HA -0.073 4.514 4.640 -0.090 0.000 0.220 256 D C 0.523 176.493 176.300 -0.549 0.000 0.994 256 D CA 0.771 54.497 54.000 -0.457 0.000 0.890 256 D CB 0.113 40.609 40.800 -0.507 0.000 0.906 256 D HN 0.374 nan 8.370 nan 0.000 0.530 257 H N -0.143 118.898 119.070 -0.049 0.000 2.469 257 H HA 0.134 4.637 4.556 -0.090 0.000 0.286 257 H C 1.383 176.641 175.328 -0.117 0.000 1.106 257 H CA -0.125 55.915 56.048 -0.014 0.000 1.055 257 H CB 0.514 30.368 29.762 0.153 0.000 1.618 257 H HN 0.296 nan 8.280 nan 0.000 0.559 258 E N 1.895 122.002 120.200 -0.154 0.000 2.118 258 E HA -0.190 4.107 4.350 -0.090 0.000 0.195 258 E C 2.098 178.240 176.600 -0.764 0.000 0.992 258 E CA 1.038 57.194 56.400 -0.407 0.000 0.804 258 E CB 0.318 29.791 29.700 -0.378 0.000 0.741 258 E HN 0.291 nan 8.360 nan 0.000 0.458 259 K N 0.340 120.418 120.400 -0.537 0.000 2.026 259 K HA -0.194 4.072 4.320 -0.090 0.000 0.208 259 K C 1.709 178.110 176.600 -0.332 0.000 1.048 259 K CA 1.874 57.885 56.287 -0.461 0.000 0.929 259 K CB -0.024 32.328 32.500 -0.247 0.000 0.713 259 K HN 0.136 nan 8.250 nan 0.000 0.439 260 D N 0.471 120.729 120.400 -0.238 0.000 2.123 260 D HA -0.189 4.397 4.640 -0.090 0.000 0.196 260 D C 1.828 177.691 176.300 -0.728 0.000 0.992 260 D CA 1.456 55.301 54.000 -0.259 0.000 0.833 260 D CB -0.207 40.596 40.800 0.006 0.000 0.954 260 D HN 0.394 nan 8.370 nan 0.000 0.455 261 A N 1.044 123.245 122.820 -1.031 0.000 1.877 261 A HA -0.187 4.079 4.320 -0.090 0.000 0.216 261 A C 2.065 179.415 177.584 -0.391 0.000 1.186 261 A CA 1.063 52.277 52.037 -1.371 0.000 0.620 261 A CB -0.858 17.540 19.000 -1.002 0.000 0.822 261 A HN 0.076 nan 8.150 nan 0.000 0.443 262 F N 0.034 119.740 119.950 -0.406 0.000 2.095 262 F HA -0.135 4.339 4.527 -0.089 0.000 0.298 262 F C 2.385 178.135 175.800 -0.083 0.000 1.104 262 F CA 1.252 59.110 58.000 -0.236 0.000 1.232 262 F CB -1.175 37.419 39.000 -0.677 0.000 0.987 262 F HN 0.518 nan 8.300 nan 0.000 0.475 263 E N -0.882 119.348 120.200 0.051 0.000 2.077 263 E HA -0.254 4.043 4.350 -0.090 0.000 0.193 263 E C 2.424 179.054 176.600 0.051 0.000 0.989 263 E CA 1.292 57.724 56.400 0.054 0.000 0.800 263 E CB -0.433 29.276 29.700 0.015 0.000 0.746 263 E HN 0.447 nan 8.360 nan 0.000 0.452 264 H N 0.514 119.520 119.070 -0.108 0.000 2.321 264 H HA -0.113 4.389 4.556 -0.090 0.000 0.300 264 H C 2.175 177.521 175.328 0.030 0.000 1.087 264 H CA 1.898 57.922 56.048 -0.041 0.000 1.319 264 H CB -0.018 29.690 29.762 -0.090 0.000 1.379 264 H HN 0.263 nan 8.280 nan 0.000 0.501 265 I N 0.981 121.617 120.570 0.111 0.000 2.252 265 I HA -0.227 3.890 4.170 -0.090 0.000 0.245 265 I C 2.794 179.014 176.117 0.172 0.000 1.102 265 I CA 1.209 62.618 61.300 0.181 0.000 1.385 265 I CB -0.210 37.946 38.000 0.259 0.000 1.064 265 I HN 0.161 nan 8.210 nan 0.000 0.414 266 V N -2.745 117.256 119.914 0.146 0.000 2.809 266 V HA -0.135 3.931 4.120 -0.090 0.000 0.256 266 V C 2.118 178.230 176.094 0.030 0.000 1.080 266 V CA 1.879 64.246 62.300 0.110 0.000 1.102 266 V CB -1.215 30.680 31.823 0.121 0.000 0.705 266 V HN 0.333 nan 8.190 nan 0.000 0.475 267 T N -0.269 114.265 114.554 -0.033 0.000 2.896 267 T HA -0.058 4.238 4.350 -0.090 0.000 0.263 267 T C 1.981 176.567 174.700 -0.189 0.000 1.050 267 T CA 1.334 63.379 62.100 -0.092 0.000 1.140 267 T CB -0.214 68.598 68.868 -0.093 0.000 0.877 267 T HN 0.460 nan 8.240 nan 0.000 0.457 268 Q N 0.147 119.750 119.800 -0.329 0.000 2.167 268 Q HA 0.059 4.345 4.340 -0.090 0.000 0.202 268 Q C 0.154 175.717 176.000 -0.727 0.000 0.970 268 Q CA 0.951 56.407 55.803 -0.578 0.000 0.855 268 Q CB -0.072 28.194 28.738 -0.788 0.000 0.911 268 Q HN 0.536 nan 8.270 nan 0.000 0.438 269 F N 0.356 120.273 119.950 -0.056 0.000 2.739 269 F HA 0.179 4.653 4.527 -0.089 0.000 0.345 269 F C 1.287 177.058 175.800 -0.048 0.000 1.373 269 F CA -0.441 57.534 58.000 -0.042 0.000 1.160 269 F CB 0.264 39.241 39.000 -0.038 0.000 1.137 269 F HN -0.092 nan 8.300 nan 0.000 0.524 270 S N -1.916 113.801 115.700 0.028 0.000 2.453 270 S HA -0.088 4.328 4.470 -0.090 0.000 0.231 270 S C 1.435 176.045 174.600 0.016 0.000 1.005 270 S CA 1.035 59.241 58.200 0.009 0.000 0.949 270 S CB -0.134 63.052 63.200 -0.024 0.000 0.774 270 S HN 0.236 nan 8.310 nan 0.000 0.510 271 S N 0.863 116.582 115.700 0.032 0.000 2.602 271 S HA 0.481 4.897 4.470 -0.090 0.000 0.240 271 S C 0.049 174.669 174.600 0.033 0.000 0.992 271 S CA -0.151 58.063 58.200 0.024 0.000 0.971 271 S CB 0.571 63.781 63.200 0.016 0.000 0.855 271 S HN 0.620 nan 8.310 nan 0.000 0.481 272 V N -2.052 117.894 119.914 0.055 0.000 3.114 272 V HA 0.700 4.766 4.120 -0.090 0.000 0.308 272 V C -3.415 172.677 176.094 -0.003 0.000 1.168 272 V CA -3.173 59.147 62.300 0.033 0.000 1.015 272 V CB 1.307 33.172 31.823 0.069 0.000 1.050 272 V HN -0.222 nan 8.190 nan 0.000 0.433 273 P HA 0.328 nan 4.420 nan 0.000 0.266 273 P C -0.936 176.294 177.300 -0.117 0.000 1.195 273 P CA 0.184 63.231 63.100 -0.087 0.000 0.768 273 P CB 0.956 32.596 31.700 -0.100 0.000 0.838 274 V N 2.586 122.413 119.914 -0.145 0.000 2.668 274 V HA 0.431 4.497 4.120 -0.090 0.000 0.304 274 V C -0.693 175.269 176.094 -0.220 0.000 1.071 274 V CA -0.473 61.712 62.300 -0.192 0.000 0.894 274 V CB 1.958 33.713 31.823 -0.114 0.000 1.008 274 V HN 0.541 nan 8.190 nan 0.000 0.425 275 S N 5.587 121.151 115.700 -0.226 0.000 2.480 275 S HA 0.763 5.179 4.470 -0.090 0.000 0.286 275 S C -0.901 173.571 174.600 -0.214 0.000 1.180 275 S CA -0.401 57.665 58.200 -0.223 0.000 1.075 275 S CB 1.276 64.361 63.200 -0.192 0.000 0.996 275 S HN 0.828 nan 8.310 nan 0.000 0.487 276 V N 5.845 125.619 119.914 -0.235 0.000 2.419 276 V HA 0.351 4.417 4.120 -0.090 0.000 0.287 276 V C 0.087 176.087 176.094 -0.157 0.000 1.017 276 V CA -0.921 61.269 62.300 -0.184 0.000 0.844 276 V CB 1.445 33.157 31.823 -0.185 0.000 1.011 276 V HN 0.791 nan 8.190 nan 0.000 0.429 277 V N 5.308 125.140 119.914 -0.136 0.000 2.493 277 V HA 0.113 4.180 4.120 -0.090 0.000 0.292 277 V C 1.105 177.207 176.094 0.013 0.000 1.016 277 V CA 1.133 63.358 62.300 -0.126 0.000 1.097 277 V CB 1.525 33.165 31.823 -0.304 0.000 0.947 277 V HN 1.018 nan 8.190 nan 0.000 0.479 278 S N 3.922 119.665 115.700 0.072 0.000 2.650 278 S HA 0.151 4.567 4.470 -0.090 0.000 0.240 278 S C 0.730 175.431 174.600 0.169 0.000 1.007 278 S CA 0.108 58.453 58.200 0.242 0.000 0.984 278 S CB 0.004 63.387 63.200 0.305 0.000 0.910 278 S HN 1.002 nan 8.310 nan 0.000 0.509 279 D N 0.612 121.069 120.400 0.095 0.000 2.402 279 D HA 0.177 4.763 4.640 -0.090 0.000 0.216 279 D C 0.965 177.259 176.300 -0.010 0.000 1.128 279 D CA 0.001 54.019 54.000 0.030 0.000 0.833 279 D CB -0.164 40.643 40.800 0.011 0.000 0.971 279 D HN 0.038 nan 8.370 nan 0.000 0.503 280 S N -0.038 115.634 115.700 -0.047 0.000 2.380 280 S HA -0.190 4.226 4.470 -0.090 0.000 0.229 280 S C 0.775 175.005 174.600 -0.618 0.000 1.043 280 S CA 1.505 59.477 58.200 -0.380 0.000 1.038 280 S CB -0.224 62.602 63.200 -0.625 0.000 0.872 280 S HN 0.471 nan 8.310 nan 0.000 0.456 281 Y N -0.724 119.588 120.300 0.020 0.000 2.769 281 Y HA 0.417 4.914 4.550 -0.089 0.000 0.266 281 Y C 0.290 176.185 175.900 -0.009 0.000 1.091 281 Y CA -0.567 57.528 58.100 -0.008 0.000 1.272 281 Y CB 0.570 39.014 38.460 -0.028 0.000 1.469 281 Y HN 0.055 nan 8.280 nan 0.000 0.475 282 D N 0.119 120.600 120.400 0.135 0.000 2.319 282 D HA 0.123 4.709 4.640 -0.090 0.000 0.237 282 D C 0.498 176.797 176.300 -0.001 0.000 1.353 282 D CA -0.119 53.920 54.000 0.064 0.000 0.992 282 D CB 1.062 41.923 40.800 0.102 0.000 1.368 282 D HN 0.162 nan 8.370 nan 0.000 0.564 283 I N 3.946 124.424 120.570 -0.154 0.000 2.194 283 I HA -0.274 3.842 4.170 -0.090 0.000 0.246 283 I C 1.106 177.103 176.117 -0.200 0.000 1.093 283 I CA 1.869 63.029 61.300 -0.233 0.000 1.355 283 I CB -0.224 37.502 38.000 -0.456 0.000 1.046 283 I HN 0.388 nan 8.210 nan 0.000 0.413 284 Y N 0.332 120.692 120.300 0.100 0.000 2.314 284 Y HA -0.155 4.342 4.550 -0.089 0.000 0.293 284 Y C 2.543 178.502 175.900 0.098 0.000 1.129 284 Y CA 1.498 59.654 58.100 0.093 0.000 1.201 284 Y CB -1.407 37.095 38.460 0.069 0.000 0.999 284 Y HN 0.381 nan 8.280 nan 0.000 0.541 285 N N 0.625 119.441 118.700 0.194 0.000 2.216 285 N HA -0.147 4.539 4.740 -0.090 0.000 0.183 285 N C 1.937 177.514 175.510 0.112 0.000 1.017 285 N CA 1.069 54.198 53.050 0.131 0.000 0.861 285 N CB -0.045 38.494 38.487 0.086 0.000 0.986 285 N HN 0.330 nan 8.380 nan 0.000 0.428 286 A N 0.891 123.784 122.820 0.121 0.000 1.877 286 A HA -0.120 4.147 4.320 -0.090 0.000 0.216 286 A C 2.797 180.519 177.584 0.230 0.000 1.186 286 A CA 1.372 53.491 52.037 0.137 0.000 0.620 286 A CB -1.056 18.094 19.000 0.249 0.000 0.822 286 A HN 0.568 nan 8.150 nan 0.000 0.443 287 C N -1.177 118.314 119.300 0.319 0.000 2.453 287 C HA -0.041 4.365 4.460 -0.090 0.000 0.277 287 C C 2.716 177.911 174.990 0.340 0.000 1.262 287 C CA 1.225 60.494 59.018 0.418 0.000 1.718 287 C CB -1.030 26.897 27.740 0.311 0.000 2.031 287 C HN 0.792 nan 8.230 nan 0.000 0.480 288 E N 0.477 120.820 120.200 0.239 0.000 2.028 288 E HA -0.146 4.151 4.350 -0.090 0.000 0.190 288 E C 2.085 178.761 176.600 0.126 0.000 0.984 288 E CA 0.922 57.425 56.400 0.172 0.000 0.800 288 E CB 0.094 29.878 29.700 0.141 0.000 0.758 288 E HN 0.413 nan 8.360 nan 0.000 0.448 289 K N 0.111 120.573 120.400 0.104 0.000 2.128 289 K HA 0.073 4.339 4.320 -0.090 0.000 0.202 289 K C 2.223 178.852 176.600 0.047 0.000 1.050 289 K CA 0.561 56.884 56.287 0.059 0.000 0.966 289 K CB 0.034 32.552 32.500 0.030 0.000 0.759 289 K HN 0.262 nan 8.250 nan 0.000 0.454 290 I N -1.176 119.408 120.570 0.023 0.000 2.260 290 I HA -0.160 3.956 4.170 -0.090 0.000 0.237 290 I C 2.249 178.403 176.117 0.062 0.000 1.075 290 I CA 1.158 62.423 61.300 -0.058 0.000 1.376 290 I CB -0.408 37.445 38.000 -0.244 0.000 1.107 290 I HN 0.140 nan 8.210 nan 0.000 0.420 291 W N 0.993 122.429 121.300 0.227 0.000 2.409 291 W HA -0.009 4.598 4.660 -0.089 0.000 0.299 291 W C 2.537 179.217 176.519 0.267 0.000 1.203 291 W CA 0.699 58.183 57.345 0.232 0.000 1.298 291 W CB -0.592 28.994 29.460 0.210 0.000 1.127 291 W HN 0.110 nan 8.180 nan 0.000 0.528 292 G N -0.328 108.721 108.800 0.415 0.000 2.534 292 G HA2 -0.060 3.846 3.960 -0.090 0.000 0.217 292 G HA3 -0.060 3.846 3.960 -0.090 0.000 0.217 292 G C 1.063 175.953 174.900 -0.017 0.000 1.128 292 G CA 0.973 46.130 45.100 0.096 0.000 0.784 292 G HN 0.287 nan 8.290 nan 0.000 0.542 293 E N -0.618 119.628 120.200 0.077 0.000 3.635 293 E HA 0.037 4.334 4.350 -0.090 0.000 0.183 293 E C 1.485 178.146 176.600 0.102 0.000 1.263 293 E CA -0.174 56.257 56.400 0.052 0.000 1.427 293 E CB 0.176 29.895 29.700 0.032 0.000 1.724 293 E HN -0.039 nan 8.360 nan 0.000 0.520 294 D N 1.242 121.695 120.400 0.087 0.000 2.149 294 D HA -0.159 4.427 4.640 -0.090 0.000 0.194 294 D C 1.523 177.940 176.300 0.195 0.000 1.001 294 D CA 1.372 55.433 54.000 0.103 0.000 0.849 294 D CB 0.148 40.969 40.800 0.036 0.000 0.939 294 D HN 0.166 nan 8.370 nan 0.000 0.449 295 L N -0.168 121.157 121.223 0.170 0.000 2.959 295 L HA 0.288 4.575 4.340 -0.090 0.000 0.259 295 L C 1.971 178.898 176.870 0.095 0.000 1.185 295 L CA -0.303 54.593 54.840 0.094 0.000 0.998 295 L CB 0.357 42.488 42.059 0.120 0.000 1.337 295 L HN -0.144 nan 8.230 nan 0.000 0.555 296 R N 1.158 121.789 120.500 0.219 0.000 2.117 296 R HA -0.223 4.063 4.340 -0.090 0.000 0.243 296 R C 2.437 178.830 176.300 0.156 0.000 1.143 296 R CA 2.213 58.453 56.100 0.234 0.000 0.968 296 R CB -0.237 30.124 30.300 0.102 0.000 0.863 296 R HN 0.579 nan 8.270 nan 0.000 0.444 297 H N -0.143 118.978 119.070 0.086 0.000 2.456 297 H HA -0.109 4.393 4.556 -0.089 0.000 0.296 297 H C 1.837 177.181 175.328 0.027 0.000 1.079 297 H CA 1.245 57.318 56.048 0.042 0.000 1.322 297 H CB -0.496 29.284 29.762 0.030 0.000 1.388 297 H HN 0.317 nan 8.280 nan 0.000 0.538 298 L N 0.173 121.117 121.223 -0.465 0.000 2.492 298 L HA -0.025 4.261 4.340 -0.090 0.000 0.223 298 L C 2.015 178.801 176.870 -0.141 0.000 1.132 298 L CA -0.011 54.666 54.840 -0.271 0.000 0.850 298 L CB -0.021 41.871 42.059 -0.279 0.000 0.966 298 L HN 0.173 nan 8.230 nan 0.000 0.454 299 I N -0.401 120.104 120.570 -0.107 0.000 2.512 299 I HA -0.089 4.027 4.170 -0.090 0.000 0.247 299 I C 2.573 178.392 176.117 -0.497 0.000 1.094 299 I CA 1.148 62.345 61.300 -0.171 0.000 1.427 299 I CB -1.012 36.979 38.000 -0.015 0.000 1.149 299 I HN 0.104 nan 8.210 nan 0.000 0.438 300 V N 0.068 119.685 119.914 -0.495 0.000 3.026 300 V HA -0.107 3.959 4.120 -0.090 0.000 0.265 300 V C 2.150 177.853 176.094 -0.652 0.000 1.121 300 V CA 1.799 63.514 62.300 -0.975 0.000 1.142 300 V CB -1.381 30.287 31.823 -0.257 0.000 0.730 300 V HN 0.491 nan 8.190 nan 0.000 0.503 301 S N -0.802 114.691 115.700 -0.345 0.000 2.548 301 S HA 0.235 4.652 4.470 -0.090 0.000 0.215 301 S C 1.053 175.569 174.600 -0.140 0.000 0.976 301 S CA -0.461 57.637 58.200 -0.170 0.000 0.908 301 S CB -0.253 62.900 63.200 -0.079 0.000 0.781 301 S HN 0.683 nan 8.310 nan 0.000 0.519 302 R N 1.712 122.093 120.500 -0.197 0.000 2.679 302 R HA 0.409 4.696 4.340 -0.090 0.000 0.269 302 R C 0.381 176.685 176.300 0.006 0.000 1.076 302 R CA -0.059 55.992 56.100 -0.082 0.000 1.160 302 R CB 0.469 30.721 30.300 -0.080 0.000 1.054 302 R HN 0.275 nan 8.270 nan 0.000 0.507 303 S N -0.405 115.305 115.700 0.016 0.000 2.617 303 S HA -0.003 4.413 4.470 -0.090 0.000 0.269 303 S C 1.519 176.145 174.600 0.043 0.000 1.292 303 S CA -0.285 57.934 58.200 0.033 0.000 1.010 303 S CB 1.134 64.340 63.200 0.009 0.000 0.944 303 S HN 0.717 nan 8.310 nan 0.000 0.536 304 T N 0.783 115.356 114.554 0.033 0.000 3.007 304 T HA 0.040 4.336 4.350 -0.090 0.000 0.270 304 T C 0.900 175.582 174.700 -0.030 0.000 1.107 304 T CA 1.093 63.194 62.100 0.002 0.000 1.118 304 T CB -0.351 68.510 68.868 -0.011 0.000 0.889 304 T HN 0.631 nan 8.240 nan 0.000 0.506 305 E N 1.462 121.646 120.200 -0.027 0.000 2.478 305 E HA 0.455 4.751 4.350 -0.090 0.000 0.194 305 E C 0.930 177.502 176.600 -0.047 0.000 1.045 305 E CA 0.503 56.876 56.400 -0.046 0.000 0.868 305 E CB 0.299 29.976 29.700 -0.037 0.000 0.885 305 E HN 0.664 nan 8.360 nan 0.000 0.505 306 A N 1.437 124.237 122.820 -0.033 0.000 3.355 306 A HA 0.314 4.580 4.320 -0.090 0.000 0.290 306 A C -2.630 174.928 177.584 -0.044 0.000 0.973 306 A CA -1.206 50.810 52.037 -0.036 0.000 0.933 306 A CB 0.177 19.167 19.000 -0.016 0.000 1.138 306 A HN -0.078 nan 8.150 nan 0.000 0.490 307 P HA 0.328 nan 4.420 nan 0.000 0.274 307 P C -0.310 176.902 177.300 -0.146 0.000 1.246 307 P CA -0.303 62.749 63.100 -0.080 0.000 0.795 307 P CB 1.204 32.842 31.700 -0.104 0.000 1.006 308 L N 1.772 122.871 121.223 -0.206 0.000 2.292 308 L HA 0.415 4.702 4.340 -0.090 0.000 0.284 308 L C -0.466 176.184 176.870 -0.367 0.000 1.065 308 L CA -0.210 54.425 54.840 -0.341 0.000 0.806 308 L CB -0.111 41.644 42.059 -0.506 0.000 1.175 308 L HN 0.191 nan 8.230 nan 0.000 0.431 309 I N 6.783 127.136 120.570 -0.360 0.000 2.405 309 I HA 0.319 4.435 4.170 -0.090 0.000 0.280 309 I C -0.229 175.668 176.117 -0.366 0.000 1.027 309 I CA -0.364 60.745 61.300 -0.318 0.000 1.161 309 I CB 0.948 38.809 38.000 -0.233 0.000 1.300 309 I HN 0.547 nan 8.210 nan 0.000 0.463 310 I N 5.938 126.264 120.570 -0.407 0.000 2.588 310 I HA 0.182 4.298 4.170 -0.090 0.000 0.283 310 I C 0.640 176.623 176.117 -0.225 0.000 1.119 310 I CA 0.061 61.139 61.300 -0.371 0.000 1.419 310 I CB 0.528 38.311 38.000 -0.362 0.000 1.394 310 I HN 0.550 nan 8.210 nan 0.000 0.562 311 R N 8.699 129.101 120.500 -0.163 0.000 2.412 311 R HA 0.410 4.696 4.340 -0.090 0.000 0.304 311 R C -2.667 173.593 176.300 -0.067 0.000 1.066 311 R CA -1.601 54.430 56.100 -0.115 0.000 0.923 311 R CB 1.391 31.620 30.300 -0.119 0.000 1.156 311 R HN 0.302 nan 8.270 nan 0.000 0.513 312 P HA 0.176 nan 4.420 nan 0.000 0.276 312 P C -0.808 176.489 177.300 -0.005 0.000 1.252 312 P CA -0.072 63.006 63.100 -0.037 0.000 0.802 312 P CB 1.259 32.928 31.700 -0.052 0.000 1.035 313 D N -1.126 119.286 120.400 0.021 0.000 2.783 313 D HA 0.153 4.739 4.640 -0.090 0.000 0.306 313 D C -0.846 175.489 176.300 0.058 0.000 1.633 313 D CA -0.097 53.938 54.000 0.060 0.000 0.796 313 D CB 0.079 40.942 40.800 0.104 0.000 1.230 313 D HN 0.379 nan 8.370 nan 0.000 0.441 314 S N -1.797 113.921 115.700 0.029 0.000 2.595 314 S HA 0.782 5.198 4.470 -0.090 0.000 0.270 314 S C 0.303 174.918 174.600 0.026 0.000 1.145 314 S CA -0.357 57.857 58.200 0.023 0.000 0.825 314 S CB 1.374 64.577 63.200 0.005 0.000 1.107 314 S HN 0.757 nan 8.310 nan 0.000 0.461 315 G N 1.340 110.163 108.800 0.038 0.000 2.728 315 G HA2 -0.074 3.832 3.960 -0.090 0.000 0.294 315 G HA3 -0.074 3.832 3.960 -0.090 0.000 0.294 315 G C -0.662 174.276 174.900 0.063 0.000 1.342 315 G CA -0.374 44.762 45.100 0.060 0.000 0.866 315 G HN 1.218 nan 8.290 nan 0.000 0.534 316 N N 1.163 119.907 118.700 0.074 0.000 2.452 316 N HA 0.205 4.891 4.740 -0.090 0.000 0.266 316 N C -0.721 174.832 175.510 0.070 0.000 1.209 316 N CA -0.692 52.397 53.050 0.065 0.000 0.929 316 N CB 1.206 39.731 38.487 0.063 0.000 1.063 316 N HN 0.118 nan 8.380 nan 0.000 0.472 317 P HA -0.203 nan 4.420 nan 0.000 0.214 317 P C 1.615 178.960 177.300 0.075 0.000 1.169 317 P CA 0.953 64.096 63.100 0.071 0.000 0.908 317 P CB 0.206 31.948 31.700 0.070 0.000 0.791 318 L N -0.246 121.017 121.223 0.067 0.000 2.005 318 L HA -0.133 4.153 4.340 -0.090 0.000 0.207 318 L C 1.659 178.568 176.870 0.065 0.000 1.072 318 L CA 2.098 56.977 54.840 0.065 0.000 0.744 318 L CB -1.523 40.569 42.059 0.054 0.000 0.895 318 L HN -0.143 nan 8.230 nan 0.000 0.433 319 D N -0.807 119.634 120.400 0.068 0.000 2.133 319 D HA -0.189 4.397 4.640 -0.090 0.000 0.195 319 D C 2.016 178.377 176.300 0.102 0.000 0.997 319 D CA 1.957 56.001 54.000 0.073 0.000 0.840 319 D CB -0.360 40.483 40.800 0.071 0.000 0.947 319 D HN 0.418 nan 8.370 nan 0.000 0.452 320 T N 0.719 115.349 114.554 0.128 0.000 2.674 320 T HA -0.092 4.204 4.350 -0.090 0.000 0.265 320 T C 2.319 177.093 174.700 0.123 0.000 1.039 320 T CA 0.801 63.013 62.100 0.186 0.000 1.150 320 T CB -0.436 68.504 68.868 0.120 0.000 0.864 320 T HN -0.031 nan 8.240 nan 0.000 0.427 321 V N 1.692 121.634 119.914 0.047 0.000 2.332 321 V HA -0.156 3.911 4.120 -0.090 0.000 0.248 321 V C 2.504 178.549 176.094 -0.081 0.000 1.055 321 V CA 1.571 63.854 62.300 -0.029 0.000 1.038 321 V CB -0.710 31.095 31.823 -0.031 0.000 0.651 321 V HN 0.443 nan 8.190 nan 0.000 0.450 322 L N -0.371 120.833 121.223 -0.032 0.000 2.046 322 L HA -0.205 4.081 4.340 -0.090 0.000 0.208 322 L C 2.551 179.400 176.870 -0.035 0.000 1.077 322 L CA 1.990 56.800 54.840 -0.051 0.000 0.747 322 L CB -0.614 41.472 42.059 0.047 0.000 0.896 322 L HN 0.314 nan 8.230 nan 0.000 0.432 323 K N 0.066 120.482 120.400 0.026 0.000 2.103 323 K HA -0.113 4.154 4.320 -0.090 0.000 0.204 323 K C 2.023 178.676 176.600 0.087 0.000 1.052 323 K CA 0.862 57.163 56.287 0.023 0.000 0.945 323 K CB 0.114 32.563 32.500 -0.085 0.000 0.722 323 K HN 0.018 nan 8.250 nan 0.000 0.443 324 V N 1.729 121.719 119.914 0.126 0.000 2.261 324 V HA -0.268 3.798 4.120 -0.090 0.000 0.246 324 V C 2.289 178.343 176.094 -0.066 0.000 1.047 324 V CA 1.719 64.070 62.300 0.085 0.000 1.015 324 V CB -0.339 31.492 31.823 0.014 0.000 0.642 324 V HN 0.341 nan 8.190 nan 0.000 0.446 325 L N 0.080 121.139 121.223 -0.273 0.000 2.083 325 L HA -0.210 4.076 4.340 -0.090 0.000 0.209 325 L C 2.416 179.087 176.870 -0.332 0.000 1.083 325 L CA 1.972 56.441 54.840 -0.619 0.000 0.752 325 L CB -0.676 40.541 42.059 -1.403 0.000 0.899 325 L HN 0.438 nan 8.230 nan 0.000 0.433 326 D N 0.527 120.884 120.400 -0.072 0.000 2.117 326 D HA -0.184 4.403 4.640 -0.090 0.000 0.197 326 D C 2.142 178.532 176.300 0.149 0.000 0.987 326 D CA 1.385 55.484 54.000 0.165 0.000 0.829 326 D CB 0.024 40.908 40.800 0.140 0.000 0.961 326 D HN 0.270 nan 8.370 nan 0.000 0.460 327 I N 0.033 120.669 120.570 0.109 0.000 2.142 327 I HA -0.240 3.876 4.170 -0.090 0.000 0.240 327 I C 2.471 178.699 176.117 0.184 0.000 1.078 327 I CA 0.694 62.079 61.300 0.142 0.000 1.343 327 I CB -0.242 37.862 38.000 0.172 0.000 1.046 327 I HN 0.087 nan 8.210 nan 0.000 0.405 328 L N 0.404 121.741 121.223 0.191 0.000 2.083 328 L HA -0.143 4.143 4.340 -0.090 0.000 0.209 328 L C 2.637 179.725 176.870 0.364 0.000 1.083 328 L CA 1.506 56.543 54.840 0.328 0.000 0.752 328 L CB -1.209 40.949 42.059 0.164 0.000 0.899 328 L HN 0.340 nan 8.230 nan 0.000 0.433 329 G N -0.117 108.859 108.800 0.293 0.000 2.448 329 G HA2 -0.209 3.697 3.960 -0.090 0.000 0.219 329 G HA3 -0.209 3.697 3.960 -0.090 0.000 0.219 329 G C 1.699 176.754 174.900 0.258 0.000 1.127 329 G CA 0.389 45.715 45.100 0.376 0.000 0.766 329 G HN 0.325 nan 8.290 nan 0.000 0.552 330 K N -0.263 120.257 120.400 0.200 0.000 2.361 330 K HA 0.097 4.363 4.320 -0.090 0.000 0.196 330 K C 1.763 178.400 176.600 0.062 0.000 1.039 330 K CA 0.399 56.759 56.287 0.122 0.000 1.001 330 K CB 0.238 32.799 32.500 0.102 0.000 0.795 330 K HN 0.044 nan 8.250 nan 0.000 0.495 331 K N -0.382 120.044 120.400 0.043 0.000 2.360 331 K HA 0.190 4.456 4.320 -0.090 0.000 0.196 331 K C -0.046 176.302 176.600 -0.420 0.000 1.049 331 K CA 0.358 56.525 56.287 -0.200 0.000 1.049 331 K CB 0.584 32.899 32.500 -0.308 0.000 0.881 331 K HN -0.060 nan 8.250 nan 0.000 0.542 332 F N 1.785 121.811 119.950 0.127 0.000 2.593 332 F HA 0.359 4.833 4.527 -0.088 0.000 0.320 332 F C -2.135 173.735 175.800 0.117 0.000 1.060 332 F CA -2.676 55.408 58.000 0.140 0.000 0.940 332 F CB 1.340 40.432 39.000 0.155 0.000 1.268 332 F HN -0.226 nan 8.300 nan 0.000 0.475 333 P HA 0.159 nan 4.420 nan 0.000 0.271 333 P C -0.980 176.407 177.300 0.146 0.000 1.226 333 P CA 0.127 63.340 63.100 0.187 0.000 0.765 333 P CB 1.223 33.024 31.700 0.169 0.000 0.835 334 V N 4.057 124.042 119.914 0.119 0.000 2.495 334 V HA 0.446 4.513 4.120 -0.090 0.000 0.298 334 V C 0.869 176.988 176.094 0.042 0.000 1.031 334 V CA -0.287 62.072 62.300 0.099 0.000 0.871 334 V CB 1.884 33.784 31.823 0.129 0.000 0.988 334 V HN 0.758 nan 8.190 nan 0.000 0.432 335 T N 0.926 115.495 114.554 0.025 0.000 2.949 335 T HA 0.686 4.982 4.350 -0.090 0.000 0.287 335 T C -0.651 174.041 174.700 -0.014 0.000 1.034 335 T CA -0.746 61.356 62.100 0.003 0.000 1.018 335 T CB 2.258 71.128 68.868 0.003 0.000 1.135 335 T HN 0.678 nan 8.240 nan 0.000 0.532 336 E N 1.420 121.607 120.200 -0.022 0.000 2.165 336 E HA 0.338 4.634 4.350 -0.090 0.000 0.266 336 E C -0.341 176.257 176.600 -0.002 0.000 0.889 336 E CA -0.882 55.499 56.400 -0.032 0.000 0.756 336 E CB 0.913 30.576 29.700 -0.063 0.000 1.131 336 E HN 0.754 nan 8.360 nan 0.000 0.411 337 N N 1.722 120.440 118.700 0.029 0.000 2.327 337 N HA -0.069 4.617 4.740 -0.090 0.000 0.257 337 N C 0.832 176.366 175.510 0.040 0.000 1.281 337 N CA 0.256 53.331 53.050 0.042 0.000 0.942 337 N CB 0.408 38.936 38.487 0.068 0.000 1.199 337 N HN 0.366 nan 8.380 nan 0.000 0.532 338 S N -1.834 113.890 115.700 0.039 0.000 2.500 338 S HA -0.064 4.352 4.470 -0.090 0.000 0.239 338 S C 0.991 175.621 174.600 0.050 0.000 0.989 338 S CA 0.537 58.757 58.200 0.032 0.000 0.951 338 S CB -0.277 62.938 63.200 0.025 0.000 0.759 338 S HN 0.489 nan 8.310 nan 0.000 0.523 339 K N 0.739 121.199 120.400 0.101 0.000 2.374 339 K HA 0.281 4.548 4.320 -0.090 0.000 0.196 339 K C 1.306 177.994 176.600 0.147 0.000 1.023 339 K CA 0.579 56.965 56.287 0.165 0.000 1.103 339 K CB -0.157 32.492 32.500 0.249 0.000 0.848 339 K HN 0.577 nan 8.250 nan 0.000 0.528 340 G N 1.162 109.989 108.800 0.045 0.000 2.132 340 G HA2 -0.268 3.638 3.960 -0.090 0.000 0.228 340 G HA3 -0.268 3.638 3.960 -0.090 0.000 0.228 340 G C -0.510 174.205 174.900 -0.308 0.000 1.000 340 G CA -0.172 44.847 45.100 -0.134 0.000 0.693 340 G HN 0.249 nan 8.290 nan 0.000 0.515 341 Y N 0.367 120.635 120.300 -0.053 0.000 2.409 341 Y HA 0.561 5.058 4.550 -0.089 0.000 0.339 341 Y C 1.026 176.863 175.900 -0.105 0.000 1.033 341 Y CA -0.909 57.146 58.100 -0.075 0.000 1.094 341 Y CB 1.206 39.660 38.460 -0.009 0.000 1.210 341 Y HN 0.003 nan 8.280 nan 0.000 0.456 342 K N 2.537 122.869 120.400 -0.114 0.000 2.382 342 K HA 0.304 4.570 4.320 -0.090 0.000 0.275 342 K C -1.280 175.357 176.600 0.062 0.000 1.009 342 K CA -0.228 55.934 56.287 -0.208 0.000 0.970 342 K CB 0.598 32.621 32.500 -0.795 0.000 0.934 342 K HN 0.374 nan 8.250 nan 0.000 0.479 343 L N 4.035 125.314 121.223 0.094 0.000 2.439 343 L HA 0.326 4.613 4.340 -0.090 0.000 0.270 343 L C -0.976 175.970 176.870 0.127 0.000 0.972 343 L CA -0.426 54.501 54.840 0.144 0.000 0.836 343 L CB 1.354 43.455 42.059 0.069 0.000 1.255 343 L HN 0.535 nan 8.230 nan 0.000 0.404 344 L N 5.757 127.059 121.223 0.132 0.000 2.476 344 L HA 0.359 4.646 4.340 -0.090 0.000 0.264 344 L C -1.717 175.076 176.870 -0.129 0.000 1.224 344 L CA -1.585 53.268 54.840 0.023 0.000 0.821 344 L CB 0.092 42.116 42.059 -0.058 0.000 1.101 344 L HN 0.524 nan 8.230 nan 0.000 0.488 345 P HA 0.038 nan 4.420 nan 0.000 0.270 345 P C -2.203 174.752 177.300 -0.574 0.000 1.223 345 P CA -1.288 61.503 63.100 -0.515 0.000 0.785 345 P CB -0.018 31.113 31.700 -0.948 0.000 0.923 346 P HA -0.168 nan 4.420 nan 0.000 0.219 346 P C 1.092 178.245 177.300 -0.244 0.000 1.146 346 P CA 1.776 64.714 63.100 -0.269 0.000 0.808 346 P CB -0.505 31.109 31.700 -0.143 0.000 0.779 347 Y N -1.489 118.746 120.300 -0.109 0.000 2.502 347 Y HA 0.519 5.015 4.550 -0.090 0.000 0.295 347 Y C 0.522 176.284 175.900 -0.230 0.000 1.193 347 Y CA -1.247 56.767 58.100 -0.144 0.000 1.295 347 Y CB -0.858 37.533 38.460 -0.116 0.000 1.059 347 Y HN -0.194 nan 8.280 nan 0.000 0.514 348 L N 1.670 122.735 121.223 -0.263 0.000 2.438 348 L HA 0.658 4.944 4.340 -0.090 0.000 0.270 348 L C -1.170 175.529 176.870 -0.284 0.000 0.972 348 L CA -1.086 53.576 54.840 -0.297 0.000 0.831 348 L CB 1.483 43.273 42.059 -0.448 0.000 1.273 348 L HN 0.031 nan 8.230 nan 0.000 0.405 349 R N 2.876 123.213 120.500 -0.272 0.000 2.846 349 R HA 0.835 5.121 4.340 -0.090 0.000 0.263 349 R C -1.655 174.489 176.300 -0.260 0.000 1.080 349 R CA -0.863 55.096 56.100 -0.235 0.000 0.961 349 R CB 2.271 32.455 30.300 -0.193 0.000 1.231 349 R HN 0.395 nan 8.270 nan 0.000 0.465 350 V N 1.492 121.259 119.914 -0.245 0.000 2.789 350 V HA 0.561 4.627 4.120 -0.090 0.000 0.311 350 V C -0.555 175.376 176.094 -0.272 0.000 1.073 350 V CA -0.854 61.293 62.300 -0.256 0.000 0.921 350 V CB 2.614 34.282 31.823 -0.257 0.000 1.009 350 V HN 0.628 nan 8.190 nan 0.000 0.426 351 I N 3.207 123.632 120.570 -0.241 0.000 2.447 351 I HA 0.546 4.662 4.170 -0.090 0.000 0.287 351 I C -0.867 175.137 176.117 -0.188 0.000 1.023 351 I CA -0.637 60.519 61.300 -0.240 0.000 1.083 351 I CB 1.889 39.802 38.000 -0.144 0.000 1.245 351 I HN 0.766 nan 8.210 nan 0.000 0.434 352 Q N 5.763 125.410 119.800 -0.255 0.000 2.390 352 Q HA 0.470 4.756 4.340 -0.090 0.000 0.249 352 Q C 0.014 176.045 176.000 0.050 0.000 0.996 352 Q CA -0.203 55.548 55.803 -0.086 0.000 0.899 352 Q CB 1.466 30.166 28.738 -0.063 0.000 1.216 352 Q HN 0.760 nan 8.270 nan 0.000 0.465 353 G N 3.033 111.907 108.800 0.124 0.000 3.690 353 G HA2 0.155 4.061 3.960 -0.090 0.000 0.283 353 G HA3 0.155 4.061 3.960 -0.090 0.000 0.283 353 G C -0.630 174.406 174.900 0.226 0.000 1.057 353 G CA -0.176 45.081 45.100 0.262 0.000 0.821 353 G HN 0.608 nan 8.290 nan 0.000 0.526 354 D N -1.530 118.955 120.400 0.142 0.000 2.619 354 D HA 0.464 5.050 4.640 -0.090 0.000 0.241 354 D C 1.025 177.380 176.300 0.092 0.000 1.087 354 D CA 0.229 54.296 54.000 0.112 0.000 0.851 354 D CB 1.347 42.200 40.800 0.087 0.000 1.474 354 D HN 0.229 nan 8.370 nan 0.000 0.478 355 G N 1.466 110.311 108.800 0.075 0.000 2.258 355 G HA2 -0.191 3.716 3.960 -0.090 0.000 0.274 355 G HA3 -0.191 3.716 3.960 -0.090 0.000 0.274 355 G C -0.046 174.881 174.900 0.046 0.000 1.021 355 G CA 0.512 45.646 45.100 0.057 0.000 0.798 355 G HN 0.527 nan 8.290 nan 0.000 0.507 356 V N 1.250 121.191 119.914 0.044 0.000 2.394 356 V HA 0.647 4.714 4.120 -0.090 0.000 0.282 356 V C 0.063 176.140 176.094 -0.029 0.000 1.031 356 V CA 0.095 62.396 62.300 0.002 0.000 0.881 356 V CB 1.620 33.454 31.823 0.019 0.000 0.982 356 V HN 0.639 nan 8.190 nan 0.000 0.451 357 D N 2.632 123.002 120.400 -0.050 0.000 2.579 357 D HA 0.293 4.879 4.640 -0.090 0.000 0.257 357 D C 0.868 177.132 176.300 -0.061 0.000 1.176 357 D CA -0.865 53.113 54.000 -0.035 0.000 0.914 357 D CB 1.368 42.170 40.800 0.002 0.000 1.431 357 D HN 0.320 nan 8.370 nan 0.000 0.454 358 I N 0.286 120.841 120.570 -0.026 0.000 2.300 358 I HA -0.335 3.781 4.170 -0.090 0.000 0.252 358 I C 1.026 177.108 176.117 -0.060 0.000 1.119 358 I CA 1.596 62.874 61.300 -0.036 0.000 1.384 358 I CB -0.168 37.850 38.000 0.030 0.000 1.062 358 I HN 0.390 nan 8.210 nan 0.000 0.426 359 N N -0.370 118.307 118.700 -0.037 0.000 2.109 359 N HA -0.171 4.515 4.740 -0.090 0.000 0.188 359 N C 1.731 177.204 175.510 -0.062 0.000 1.034 359 N CA 1.937 54.962 53.050 -0.040 0.000 0.846 359 N CB -0.222 38.257 38.487 -0.013 0.000 1.010 359 N HN 0.454 nan 8.380 nan 0.000 0.425 360 T N -0.094 114.425 114.554 -0.059 0.000 2.915 360 T HA -0.059 4.237 4.350 -0.090 0.000 0.269 360 T C 1.877 176.498 174.700 -0.132 0.000 1.071 360 T CA 0.446 62.507 62.100 -0.065 0.000 1.132 360 T CB -0.357 68.491 68.868 -0.032 0.000 0.878 360 T HN 0.044 nan 8.240 nan 0.000 0.479 361 L N 1.596 122.696 121.223 -0.204 0.000 2.012 361 L HA -0.079 4.207 4.340 -0.090 0.000 0.210 361 L C 2.714 179.379 176.870 -0.342 0.000 1.073 361 L CA 2.228 56.836 54.840 -0.386 0.000 0.748 361 L CB -1.248 40.563 42.059 -0.413 0.000 0.891 361 L HN 0.333 nan 8.230 nan 0.000 0.431 362 Q N 0.067 119.724 119.800 -0.238 0.000 2.096 362 Q HA -0.238 4.049 4.340 -0.090 0.000 0.204 362 Q C 2.001 177.869 176.000 -0.220 0.000 0.982 362 Q CA 2.327 57.992 55.803 -0.231 0.000 0.850 362 Q CB -0.314 28.352 28.738 -0.119 0.000 0.901 362 Q HN 0.705 nan 8.270 nan 0.000 0.422 363 E N -0.166 119.954 120.200 -0.134 0.000 2.077 363 E HA -0.149 4.147 4.350 -0.090 0.000 0.193 363 E C 2.112 178.667 176.600 -0.075 0.000 0.989 363 E CA 1.343 57.696 56.400 -0.078 0.000 0.800 363 E CB -0.212 29.466 29.700 -0.036 0.000 0.746 363 E HN 0.458 nan 8.360 nan 0.000 0.452 364 I N 1.282 121.801 120.570 -0.086 0.000 2.142 364 I HA -0.239 3.877 4.170 -0.090 0.000 0.240 364 I C 2.732 178.833 176.117 -0.027 0.000 1.078 364 I CA 1.108 62.403 61.300 -0.009 0.000 1.343 364 I CB -0.556 37.495 38.000 0.084 0.000 1.046 364 I HN 0.070 nan 8.210 nan 0.000 0.405 365 V N -0.752 119.058 119.914 -0.175 0.000 2.407 365 V HA -0.232 3.834 4.120 -0.090 0.000 0.248 365 V C 2.389 178.305 176.094 -0.296 0.000 1.055 365 V CA 2.096 64.244 62.300 -0.253 0.000 1.049 365 V CB -0.864 30.632 31.823 -0.545 0.000 0.662 365 V HN 0.392 nan 8.190 nan 0.000 0.455 366 E N 2.271 122.245 120.200 -0.376 0.000 2.077 366 E HA 0.081 4.377 4.350 -0.090 0.000 0.193 366 E C 1.542 178.199 176.600 0.095 0.000 0.989 366 E CA 1.080 57.459 56.400 -0.036 0.000 0.800 366 E CB -1.068 28.633 29.700 0.001 0.000 0.746 366 E HN 0.750 nan 8.360 nan 0.000 0.452 370 Q N 1.054 121.003 119.800 0.249 0.000 2.135 370 Q HA -0.048 4.239 4.340 -0.090 0.000 0.204 370 Q C 0.978 177.066 176.000 0.147 0.000 0.981 370 Q CA 1.385 57.292 55.803 0.174 0.000 0.856 370 Q CB 0.133 28.954 28.738 0.139 0.000 0.902 370 Q HN 0.052 nan 8.270 nan 0.000 0.425 371 K N 0.334 120.853 120.400 0.199 0.000 2.487 371 K HA 0.021 4.288 4.320 -0.090 0.000 0.192 371 K C -0.101 176.521 176.600 0.038 0.000 1.027 371 K CA 0.225 56.619 56.287 0.179 0.000 1.054 371 K CB 0.559 33.270 32.500 0.352 0.000 0.824 371 K HN 0.058 nan 8.250 nan 0.000 0.510 372 K N -0.697 119.758 120.400 0.090 0.000 3.167 372 K HA -0.177 4.090 4.320 -0.090 0.000 0.272 372 K C -1.035 175.540 176.600 -0.042 0.000 1.137 372 K CA 0.611 56.875 56.287 -0.038 0.000 0.800 372 K CB -2.011 30.294 32.500 -0.325 0.000 1.253 372 K HN 0.219 nan 8.250 nan 0.000 0.497 373 W N 0.794 122.278 121.300 0.306 0.000 2.478 373 W HA 0.344 4.950 4.660 -0.089 0.000 0.318 373 W C 1.035 177.677 176.519 0.205 0.000 1.062 373 W CA -0.553 56.919 57.345 0.212 0.000 1.210 373 W CB 1.487 31.019 29.460 0.121 0.000 1.325 373 W HN 0.051 nan 8.180 nan 0.000 0.496 374 S N 2.416 118.345 115.700 0.382 0.000 2.572 374 S HA 0.038 4.455 4.470 -0.090 0.000 0.279 374 S C 0.931 175.620 174.600 0.150 0.000 1.341 374 S CA -0.302 57.996 58.200 0.163 0.000 1.043 374 S CB 0.504 63.787 63.200 0.138 0.000 0.887 374 S HN 0.417 nan 8.310 nan 0.000 0.516 375 I N 3.879 124.497 120.570 0.079 0.000 3.083 375 I HA -0.008 4.108 4.170 -0.090 0.000 0.273 375 I C 2.072 178.236 176.117 0.079 0.000 1.297 375 I CA 0.951 62.318 61.300 0.111 0.000 1.452 375 I CB -0.889 37.194 38.000 0.138 0.000 1.078 375 I HN 0.755 nan 8.210 nan 0.000 0.484 376 E N 0.250 120.487 120.200 0.062 0.000 2.153 376 E HA -0.216 4.080 4.350 -0.090 0.000 0.194 376 E C 1.672 178.276 176.600 0.005 0.000 0.988 376 E CA 1.227 57.649 56.400 0.036 0.000 0.811 376 E CB -0.244 29.478 29.700 0.035 0.000 0.746 376 E HN 0.632 nan 8.360 nan 0.000 0.466 377 N N -0.294 118.419 118.700 0.022 0.000 2.331 377 N HA -0.052 4.634 4.740 -0.090 0.000 0.180 377 N C -0.411 175.020 175.510 -0.131 0.000 1.019 377 N CA 0.367 53.395 53.050 -0.036 0.000 0.881 377 N CB 0.515 39.013 38.487 0.018 0.000 0.972 377 N HN -0.123 nan 8.380 nan 0.000 0.435 378 V N 0.462 120.284 119.914 -0.152 0.000 2.588 378 V HA 0.398 4.464 4.120 -0.090 0.000 0.304 378 V C -0.289 175.552 176.094 -0.422 0.000 1.042 378 V CA -0.923 61.178 62.300 -0.331 0.000 0.877 378 V CB 1.744 33.307 31.823 -0.433 0.000 0.996 378 V HN 0.138 nan 8.190 nan 0.000 0.425 379 S N 3.586 119.003 115.700 -0.472 0.000 2.704 379 S HA 0.906 5.323 4.470 -0.090 0.000 0.305 379 S C -1.014 173.196 174.600 -0.650 0.000 1.107 379 S CA -0.622 57.374 58.200 -0.340 0.000 0.993 379 S CB 1.886 65.018 63.200 -0.113 0.000 1.110 379 S HN 0.332 nan 8.310 nan 0.000 0.534 380 F N -0.867 119.018 119.950 -0.109 0.000 2.611 380 F HA 0.796 5.268 4.527 -0.092 0.000 0.324 380 F C 0.711 176.333 175.800 -0.297 0.000 1.061 380 F CA -0.624 57.279 58.000 -0.162 0.000 0.954 380 F CB 2.338 41.248 39.000 -0.152 0.000 1.301 380 F HN 0.975 nan 8.300 nan 0.000 0.482 381 G N -0.015 108.681 108.800 -0.172 0.000 2.591 381 G HA2 0.547 4.453 3.960 -0.090 0.000 0.306 381 G HA3 0.547 4.453 3.960 -0.090 0.000 0.306 381 G C -1.829 172.872 174.900 -0.332 0.000 1.334 381 G CA -0.744 43.922 45.100 -0.723 0.000 0.981 381 G HN 0.617 nan 8.290 nan 0.000 0.491 382 S N -0.259 115.228 115.700 -0.355 0.000 2.536 382 S HA 0.770 5.186 4.470 -0.090 0.000 0.271 382 S C 0.543 175.117 174.600 -0.043 0.000 1.134 382 S CA 0.276 58.406 58.200 -0.116 0.000 0.897 382 S CB 1.555 64.668 63.200 -0.145 0.000 1.094 382 S HN 1.200 nan 8.310 nan 0.000 0.473 383 G N 2.533 111.371 108.800 0.065 0.000 2.487 383 G HA2 0.395 4.301 3.960 -0.090 0.000 0.212 383 G HA3 0.395 4.301 3.960 -0.090 0.000 0.212 383 G C 1.285 176.223 174.900 0.063 0.000 1.988 383 G CA 0.510 45.669 45.100 0.099 0.000 0.724 383 G HN 1.019 nan 8.290 nan 0.000 0.755 384 G N 1.137 109.984 108.800 0.078 0.000 2.469 384 G HA2 0.021 3.927 3.960 -0.090 0.000 0.219 384 G HA3 0.021 3.927 3.960 -0.090 0.000 0.219 384 G C 1.985 176.924 174.900 0.066 0.000 1.150 384 G CA 1.986 47.130 45.100 0.073 0.000 0.763 384 G HN 0.863 nan 8.290 nan 0.000 0.561 385 A N -0.168 122.682 122.820 0.051 0.000 2.070 385 A HA 0.161 4.427 4.320 -0.090 0.000 0.220 385 A C 2.298 179.901 177.584 0.032 0.000 1.159 385 A CA 1.570 53.634 52.037 0.045 0.000 0.656 385 A CB -0.225 18.794 19.000 0.031 0.000 0.800 385 A HN 0.442 nan 8.150 nan 0.000 0.453 386 L N -1.354 119.870 121.223 0.001 0.000 2.168 386 L HA 0.207 4.493 4.340 -0.090 0.000 0.203 386 L C 1.785 178.650 176.870 -0.010 0.000 1.078 386 L CA 1.520 56.334 54.840 -0.043 0.000 0.780 386 L CB -0.036 41.927 42.059 -0.159 0.000 0.939 386 L HN 0.325 nan 8.230 nan 0.000 0.451 387 L N -1.567 119.678 121.223 0.037 0.000 2.701 387 L HA 0.233 4.520 4.340 -0.090 0.000 0.238 387 L C 1.711 178.722 176.870 0.235 0.000 1.106 387 L CA 0.085 54.998 54.840 0.121 0.000 0.898 387 L CB 0.309 42.429 42.059 0.100 0.000 1.188 387 L HN 0.295 nan 8.230 nan 0.000 0.508 388 Q N 0.611 120.510 119.800 0.164 0.000 2.471 388 Q HA 0.065 4.352 4.340 -0.090 0.000 0.259 388 Q C 1.183 177.277 176.000 0.157 0.000 0.850 388 Q CA 0.582 56.478 55.803 0.155 0.000 0.981 388 Q CB 0.526 29.324 28.738 0.100 0.000 1.180 388 Q HN 0.046 nan 8.270 nan 0.000 0.571 389 K N 1.322 121.799 120.400 0.128 0.000 3.000 389 K HA 0.214 4.480 4.320 -0.090 0.000 0.265 389 K C -1.089 175.594 176.600 0.139 0.000 1.260 389 K CA 0.042 56.397 56.287 0.113 0.000 1.209 389 K CB -0.703 31.847 32.500 0.083 0.000 1.484 389 K HN 0.182 nan 8.250 nan 0.000 0.283 390 L N 0.688 122.038 121.223 0.211 0.000 2.422 390 L HA 0.406 4.692 4.340 -0.090 0.000 0.264 390 L C -0.145 176.923 176.870 0.329 0.000 0.984 390 L CA -0.931 54.067 54.840 0.263 0.000 0.819 390 L CB 2.289 44.549 42.059 0.335 0.000 1.330 390 L HN 0.217 nan 8.230 nan 0.000 0.410 391 T N -2.353 112.288 114.554 0.146 0.000 2.916 391 T HA 0.365 4.661 4.350 -0.090 0.000 0.292 391 T C 0.571 174.980 174.700 -0.485 0.000 1.064 391 T CA -0.833 61.163 62.100 -0.173 0.000 1.011 391 T CB 2.165 70.943 68.868 -0.150 0.000 1.152 391 T HN 0.645 nan 8.240 nan 0.000 0.510 392 R N -0.119 119.695 120.500 -1.144 0.000 2.293 392 R HA -0.084 4.203 4.340 -0.090 0.000 0.219 392 R C 0.984 177.060 176.300 -0.373 0.000 1.091 392 R CA 1.202 56.694 56.100 -1.014 0.000 1.004 392 R CB -0.221 29.340 30.300 -1.231 0.000 0.865 392 R HN 0.646 nan 8.270 nan 0.000 0.469 393 D N -0.117 120.117 120.400 -0.276 0.000 2.333 393 D HA -0.084 4.502 4.640 -0.090 0.000 0.208 393 D C 1.619 177.873 176.300 -0.077 0.000 0.984 393 D CA 0.212 54.126 54.000 -0.144 0.000 0.873 393 D CB 0.246 40.977 40.800 -0.114 0.000 0.935 393 D HN 0.167 nan 8.370 nan 0.000 0.521 394 L N 0.236 121.418 121.223 -0.068 0.000 2.042 394 L HA -0.093 4.193 4.340 -0.090 0.000 0.210 394 L C 1.663 178.504 176.870 -0.048 0.000 1.076 394 L CA 1.645 56.456 54.840 -0.048 0.000 0.749 394 L CB -0.051 41.954 42.059 -0.091 0.000 0.893 394 L HN 0.010 nan 8.230 nan 0.000 0.432 395 L N -0.808 120.392 121.223 -0.039 0.000 2.857 395 L HA 0.244 4.530 4.340 -0.090 0.000 0.249 395 L C 0.115 176.981 176.870 -0.007 0.000 1.172 395 L CA -0.274 54.564 54.840 -0.004 0.000 0.980 395 L CB -0.189 41.884 42.059 0.024 0.000 1.299 395 L HN 0.212 nan 8.230 nan 0.000 0.535 396 N N 0.242 118.919 118.700 -0.039 0.000 2.705 396 N HA -0.170 4.516 4.740 -0.090 0.000 0.255 396 N C -0.148 175.286 175.510 -0.127 0.000 1.008 396 N CA 0.560 53.565 53.050 -0.075 0.000 0.742 396 N CB -1.827 36.629 38.487 -0.052 0.000 0.906 396 N HN 0.302 nan 8.380 nan 0.000 0.541 397 C N 0.581 119.810 119.300 -0.118 0.000 2.648 397 C HA 0.415 4.821 4.460 -0.090 0.000 0.415 397 C C 1.342 176.110 174.990 -0.369 0.000 1.366 397 C CA -0.210 58.651 59.018 -0.262 0.000 1.756 397 C CB 0.226 28.051 27.740 0.141 0.000 2.549 397 C HN 0.507 nan 8.230 nan 0.000 0.597 398 S N 2.053 117.362 115.700 -0.652 0.000 2.546 398 S HA 0.739 5.155 4.470 -0.090 0.000 0.274 398 S C -1.317 172.999 174.600 -0.473 0.000 1.121 398 S CA -0.433 57.525 58.200 -0.403 0.000 0.887 398 S CB 0.978 64.009 63.200 -0.282 0.000 1.094 398 S HN 0.588 nan 8.310 nan 0.000 0.474 399 F N 4.375 124.137 119.950 -0.314 0.000 2.477 399 F HA 0.744 5.218 4.527 -0.089 0.000 0.335 399 F C -0.549 175.108 175.800 -0.239 0.000 1.130 399 F CA -0.373 57.483 58.000 -0.239 0.000 0.948 399 F CB 0.929 39.966 39.000 0.062 0.000 1.154 399 F HN 0.390 nan 8.300 nan 0.000 0.439 400 K N 5.039 124.977 120.400 -0.770 0.000 2.508 400 K HA 0.299 4.565 4.320 -0.090 0.000 0.260 400 K C -1.487 174.913 176.600 -0.333 0.000 0.949 400 K CA -0.626 55.416 56.287 -0.409 0.000 0.834 400 K CB 1.686 34.036 32.500 -0.249 0.000 1.365 400 K HN 0.720 nan 8.250 nan 0.000 0.437 401 C N 2.087 121.351 119.300 -0.060 0.000 2.499 401 C HA 0.349 4.756 4.460 -0.090 0.000 0.386 401 C C 1.488 176.605 174.990 0.212 0.000 1.293 401 C CA 0.237 59.301 59.018 0.077 0.000 1.884 401 C CB -1.060 26.769 27.740 0.148 0.000 2.509 401 C HN 0.840 nan 8.230 nan 0.000 0.566 402 S N 3.404 119.304 115.700 0.333 0.000 2.666 402 S HA 0.257 4.673 4.470 -0.090 0.000 0.239 402 S C -0.386 174.465 174.600 0.417 0.000 1.031 402 S CA -0.205 58.218 58.200 0.372 0.000 1.015 402 S CB 0.047 63.454 63.200 0.346 0.000 0.981 402 S HN 0.994 nan 8.310 nan 0.000 0.547 403 Y N 1.097 121.547 120.300 0.249 0.000 2.474 403 Y HA 0.536 5.033 4.550 -0.090 0.000 0.326 403 Y C -1.412 174.567 175.900 0.132 0.000 1.160 403 Y CA -1.021 57.161 58.100 0.137 0.000 1.056 403 Y CB 1.646 40.099 38.460 -0.012 0.000 1.330 403 Y HN 0.348 nan 8.280 nan 0.000 0.447 404 V N 2.572 122.217 119.914 -0.448 0.000 3.130 404 V HA 0.921 4.988 4.120 -0.090 0.000 0.310 404 V C -1.921 173.809 176.094 -0.606 0.000 1.158 404 V CA -1.051 61.025 62.300 -0.375 0.000 1.029 404 V CB 1.739 33.479 31.823 -0.139 0.000 1.057 404 V HN 0.607 nan 8.190 nan 0.000 0.436 405 V N 2.141 121.840 119.914 -0.359 0.000 2.443 405 V HA 0.754 4.820 4.120 -0.090 0.000 0.293 405 V C 0.025 176.018 176.094 -0.168 0.000 1.021 405 V CA 0.393 62.529 62.300 -0.272 0.000 0.848 405 V CB 1.676 33.394 31.823 -0.175 0.000 0.998 405 V HN 1.286 nan 8.190 nan 0.000 0.424 406 T N 1.005 115.476 114.554 -0.138 0.000 2.879 406 T HA 0.512 4.808 4.350 -0.090 0.000 0.290 406 T C 0.029 174.681 174.700 -0.079 0.000 0.993 406 T CA -0.525 61.511 62.100 -0.108 0.000 0.975 406 T CB 0.872 69.685 68.868 -0.091 0.000 0.981 406 T HN 0.733 nan 8.240 nan 0.000 0.439 407 N N 1.615 120.272 118.700 -0.071 0.000 2.776 407 N HA -0.192 4.494 4.740 -0.090 0.000 0.249 407 N C 1.004 176.489 175.510 -0.041 0.000 1.111 407 N CA 0.754 53.774 53.050 -0.050 0.000 0.711 407 N CB -1.366 37.096 38.487 -0.042 0.000 1.065 407 N HN 1.610 nan 8.380 nan 0.000 0.556 408 G N -0.933 107.839 108.800 -0.046 0.000 2.166 408 G HA2 -0.318 3.588 3.960 -0.090 0.000 0.260 408 G HA3 -0.318 3.588 3.960 -0.090 0.000 0.260 408 G C -0.041 174.842 174.900 -0.028 0.000 0.986 408 G CA 0.799 45.880 45.100 -0.031 0.000 0.683 408 G HN 0.396 nan 8.290 nan 0.000 0.527 409 L N 0.288 121.485 121.223 -0.044 0.000 2.346 409 L HA 0.692 4.978 4.340 -0.090 0.000 0.276 409 L C 1.041 177.866 176.870 -0.076 0.000 1.006 409 L CA -0.744 54.075 54.840 -0.036 0.000 0.817 409 L CB 1.948 43.991 42.059 -0.026 0.000 1.272 409 L HN 0.144 nan 8.230 nan 0.000 0.421 410 G N 1.983 110.760 108.800 -0.038 0.000 2.406 410 G HA2 0.463 4.370 3.960 -0.090 0.000 0.251 410 G HA3 0.463 4.370 3.960 -0.090 0.000 0.251 410 G C -0.610 174.242 174.900 -0.081 0.000 1.271 410 G CA -0.150 44.885 45.100 -0.108 0.000 0.859 410 G HN 0.307 nan 8.290 nan 0.000 0.540 411 V N 3.328 123.099 119.914 -0.238 0.000 2.577 411 V HA 0.250 4.317 4.120 -0.090 0.000 0.303 411 V C -0.808 175.322 176.094 0.060 0.000 1.042 411 V CA -1.373 60.895 62.300 -0.052 0.000 0.872 411 V CB 1.832 33.615 31.823 -0.067 0.000 0.998 411 V HN 0.693 nan 8.190 nan 0.000 0.423 412 N N 3.703 122.518 118.700 0.190 0.000 2.408 412 N HA 0.448 5.134 4.740 -0.090 0.000 0.257 412 N C -0.242 175.442 175.510 0.290 0.000 1.064 412 N CA -0.068 53.143 53.050 0.269 0.000 0.952 412 N CB 1.897 40.499 38.487 0.192 0.000 1.093 412 N HN 0.657 nan 8.380 nan 0.000 0.490 413 V N 0.051 120.148 119.914 0.305 0.000 2.994 413 V HA 0.969 5.035 4.120 -0.090 0.000 0.318 413 V C -0.450 175.899 176.094 0.424 0.000 1.085 413 V CA -0.813 61.659 62.300 0.286 0.000 0.998 413 V CB 1.368 33.273 31.823 0.137 0.000 1.063 413 V HN 0.591 nan 8.190 nan 0.000 0.447 414 F N -0.357 119.641 119.950 0.080 0.000 2.900 414 F HA 0.767 5.240 4.527 -0.090 0.000 0.321 414 F C -1.177 174.657 175.800 0.056 0.000 1.160 414 F CA -1.199 56.848 58.000 0.078 0.000 0.890 414 F CB 1.351 40.391 39.000 0.066 0.000 1.334 414 F HN 0.828 nan 8.300 nan 0.000 0.459 415 K N 0.256 120.684 120.400 0.046 0.000 2.328 415 K HA 0.735 5.002 4.320 -0.090 0.000 0.246 415 K C -2.015 174.666 176.600 0.135 0.000 0.955 415 K CA -0.763 55.495 56.287 -0.049 0.000 0.817 415 K CB 2.444 34.942 32.500 -0.003 0.000 1.208 415 K HN 0.707 nan 8.250 nan 0.000 0.432 416 D N 2.080 122.524 120.400 0.074 0.000 2.934 416 D HA 0.278 4.864 4.640 -0.090 0.000 0.249 416 D C -2.614 173.725 176.300 0.064 0.000 1.293 416 D CA -1.086 52.993 54.000 0.133 0.000 0.812 416 D CB 0.812 41.768 40.800 0.260 0.000 1.439 416 D HN 0.386 nan 8.370 nan 0.000 0.555 417 P HA -0.015 nan 4.420 nan 0.000 0.262 417 P C 1.159 178.476 177.300 0.027 0.000 1.182 417 P CA -0.310 62.803 63.100 0.022 0.000 0.761 417 P CB 1.347 33.057 31.700 0.017 0.000 0.795 418 V N 3.726 123.652 119.914 0.021 0.000 2.332 418 V HA -0.263 3.804 4.120 -0.090 0.000 0.248 418 V C 1.825 177.930 176.094 0.018 0.000 1.055 418 V CA 2.635 64.948 62.300 0.022 0.000 1.038 418 V CB -0.983 30.849 31.823 0.016 0.000 0.651 418 V HN 0.692 nan 8.190 nan 0.000 0.450 419 A N -1.174 121.655 122.820 0.013 0.000 2.235 419 A HA 0.087 4.353 4.320 -0.090 0.000 0.208 419 A C 0.795 178.387 177.584 0.012 0.000 1.172 419 A CA 0.994 53.038 52.037 0.011 0.000 0.786 419 A CB -0.189 18.815 19.000 0.007 0.000 0.804 419 A HN 0.612 nan 8.150 nan 0.000 0.479 420 D N -1.825 118.585 120.400 0.016 0.000 2.351 420 D HA 0.278 4.864 4.640 -0.090 0.000 0.235 420 D C -2.596 173.718 176.300 0.024 0.000 1.331 420 D CA -1.231 52.779 54.000 0.016 0.000 0.959 420 D CB 1.304 42.111 40.800 0.011 0.000 1.432 420 D HN -0.136 nan 8.370 nan 0.000 0.544 421 P HA 0.001 nan 4.420 nan 0.000 0.225 421 P C 0.651 177.969 177.300 0.030 0.000 1.148 421 P CA 0.886 64.004 63.100 0.031 0.000 0.779 421 P CB 0.267 31.982 31.700 0.025 0.000 0.780 422 N N -0.677 118.036 118.700 0.022 0.000 2.459 422 N HA -0.050 4.636 4.740 -0.090 0.000 0.181 422 N C 1.266 176.787 175.510 0.019 0.000 1.046 422 N CA 0.522 53.583 53.050 0.018 0.000 0.904 422 N CB -0.142 38.351 38.487 0.011 0.000 0.964 422 N HN 0.146 nan 8.380 nan 0.000 0.444 423 K N 0.824 121.238 120.400 0.023 0.000 2.444 423 K HA 0.072 4.339 4.320 -0.090 0.000 0.193 423 K C 0.353 176.983 176.600 0.050 0.000 1.024 423 K CA -0.155 56.146 56.287 0.023 0.000 1.077 423 K CB 0.323 32.833 32.500 0.017 0.000 0.833 423 K HN 0.158 nan 8.250 nan 0.000 0.517 424 R N 1.822 122.362 120.500 0.067 0.000 2.679 424 R HA 0.005 4.291 4.340 -0.090 0.000 0.268 424 R C -0.167 176.208 176.300 0.125 0.000 1.044 424 R CA 0.284 56.452 56.100 0.113 0.000 1.105 424 R CB 0.594 30.953 30.300 0.099 0.000 0.989 424 R HN 0.031 nan 8.270 nan 0.000 0.447 425 S N 2.143 117.960 115.700 0.195 0.000 2.677 425 S HA 0.433 4.849 4.470 -0.090 0.000 0.304 425 S C -0.853 173.874 174.600 0.211 0.000 1.108 425 S CA -1.119 57.218 58.200 0.229 0.000 0.944 425 S CB 1.760 65.109 63.200 0.249 0.000 1.127 425 S HN 0.558 nan 8.310 nan 0.000 0.511 426 K N 0.765 121.281 120.400 0.193 0.000 2.202 426 K HA 0.320 4.587 4.320 -0.090 0.000 0.264 426 K C -0.418 176.196 176.600 0.024 0.000 1.010 426 K CA -0.298 55.970 56.287 -0.031 0.000 0.940 426 K CB 0.487 32.787 32.500 -0.333 0.000 0.983 426 K HN 0.504 nan 8.250 nan 0.000 0.475 427 K N 0.813 121.183 120.400 -0.050 0.000 2.164 427 K HA 0.424 4.690 4.320 -0.090 0.000 0.258 427 K C 0.163 176.764 176.600 0.002 0.000 0.951 427 K CA -0.522 55.777 56.287 0.020 0.000 0.844 427 K CB 1.728 34.166 32.500 -0.104 0.000 1.099 427 K HN 0.811 nan 8.250 nan 0.000 0.435 428 G N 1.810 110.671 108.800 0.102 0.000 2.697 428 G HA2 -0.305 3.601 3.960 -0.090 0.000 0.240 428 G HA3 -0.305 3.601 3.960 -0.090 0.000 0.240 428 G C -0.768 174.026 174.900 -0.177 0.000 1.346 428 G CA -0.628 44.482 45.100 0.017 0.000 0.887 428 G HN 0.634 nan 8.290 nan 0.000 0.569 429 R N -0.439 119.727 120.500 -0.555 0.000 2.442 429 R HA 0.433 4.719 4.340 -0.090 0.000 0.291 429 R C 0.442 176.586 176.300 -0.261 0.000 1.069 429 R CA 0.040 55.725 56.100 -0.691 0.000 1.022 429 R CB 0.132 29.914 30.300 -0.864 0.000 0.976 429 R HN 0.428 nan 8.270 nan 0.000 0.443 430 L N 1.221 122.418 121.223 -0.043 0.000 2.322 430 L HA 0.596 4.883 4.340 -0.090 0.000 0.269 430 L C -0.019 176.857 176.870 0.011 0.000 1.012 430 L CA -0.817 54.004 54.840 -0.032 0.000 0.815 430 L CB 2.014 44.016 42.059 -0.095 0.000 1.295 430 L HN 0.712 nan 8.230 nan 0.000 0.438 431 S N 0.891 116.586 115.700 -0.007 0.000 2.533 431 S HA 0.572 4.988 4.470 -0.090 0.000 0.271 431 S C -1.219 173.323 174.600 -0.097 0.000 1.143 431 S CA -0.835 57.345 58.200 -0.033 0.000 0.891 431 S CB 1.726 64.979 63.200 0.089 0.000 1.105 431 S HN 0.549 nan 8.310 nan 0.000 0.468 432 L N 2.539 123.603 121.223 -0.265 0.000 2.295 432 L HA 0.654 4.940 4.340 -0.090 0.000 0.285 432 L C -1.252 175.349 176.870 -0.448 0.000 1.035 432 L CA -0.406 54.320 54.840 -0.190 0.000 0.806 432 L CB 1.108 43.121 42.059 -0.076 0.000 1.214 432 L HN 0.951 nan 8.230 nan 0.000 0.426 433 H N 2.032 121.100 119.070 -0.002 0.000 2.865 433 H HA 0.503 5.006 4.556 -0.089 0.000 0.372 433 H C -0.940 174.372 175.328 -0.026 0.000 1.173 433 H CA -0.847 55.196 56.048 -0.008 0.000 1.147 433 H CB 1.549 31.280 29.762 -0.051 0.000 1.805 433 H HN 0.377 nan 8.280 nan 0.000 0.553 434 R N 0.767 121.309 120.500 0.069 0.000 2.357 434 R HA 0.334 4.620 4.340 -0.090 0.000 0.296 434 R C -0.284 176.044 176.300 0.046 0.000 1.052 434 R CA -0.352 55.673 56.100 -0.126 0.000 0.988 434 R CB 0.534 30.750 30.300 -0.140 0.000 1.025 434 R HN 0.874 nan 8.270 nan 0.000 0.469 435 T N 1.157 115.708 114.554 -0.005 0.000 2.902 435 T HA 0.353 4.649 4.350 -0.090 0.000 0.280 435 T C -1.692 173.013 174.700 0.009 0.000 0.992 435 T CA -1.668 60.501 62.100 0.115 0.000 1.015 435 T CB 1.323 70.257 68.868 0.111 0.000 1.044 435 T HN 0.393 nan 8.240 nan 0.000 0.520 436 P HA 0.061 nan 4.420 nan 0.000 0.218 436 P C 1.150 178.429 177.300 -0.036 0.000 1.148 436 P CA 0.966 64.038 63.100 -0.047 0.000 0.822 436 P CB -0.198 31.457 31.700 -0.075 0.000 0.784 437 A N -1.158 121.648 122.820 -0.023 0.000 2.259 437 A HA 0.456 4.722 4.320 -0.090 0.000 0.208 437 A C 1.585 179.151 177.584 -0.030 0.000 1.201 437 A CA 0.662 52.687 52.037 -0.019 0.000 0.824 437 A CB -1.243 17.756 19.000 -0.003 0.000 0.838 437 A HN 0.245 nan 8.150 nan 0.000 0.485 438 G N -0.743 108.021 108.800 -0.061 0.000 2.157 438 G HA2 -0.276 3.631 3.960 -0.090 0.000 0.248 438 G HA3 -0.276 3.631 3.960 -0.090 0.000 0.248 438 G C 0.133 174.924 174.900 -0.182 0.000 0.979 438 G CA 0.406 45.441 45.100 -0.108 0.000 0.650 438 G HN 0.649 nan 8.290 nan 0.000 0.529 439 N N -0.979 117.637 118.700 -0.139 0.000 2.620 439 N HA 0.808 5.495 4.740 -0.090 0.000 0.307 439 N C -0.296 175.018 175.510 -0.326 0.000 1.316 439 N CA -0.429 52.561 53.050 -0.101 0.000 0.931 439 N CB 0.468 38.994 38.487 0.064 0.000 1.116 439 N HN 0.125 nan 8.380 nan 0.000 0.573 440 F N -0.547 119.426 119.950 0.038 0.000 2.577 440 F HA 0.707 5.180 4.527 -0.089 0.000 0.318 440 F C -0.442 175.357 175.800 -0.002 0.000 1.065 440 F CA -0.931 57.084 58.000 0.025 0.000 0.929 440 F CB 1.783 40.791 39.000 0.014 0.000 1.237 440 F HN -0.010 nan 8.300 nan 0.000 0.468 441 V N 0.910 120.914 119.914 0.149 0.000 2.969 441 V HA 0.544 4.610 4.120 -0.090 0.000 0.304 441 V C -1.243 174.846 176.094 -0.008 0.000 1.192 441 V CA -0.220 62.082 62.300 0.003 0.000 0.962 441 V CB 2.421 34.135 31.823 -0.181 0.000 1.045 441 V HN 0.773 nan 8.190 nan 0.000 0.428 442 T N 7.729 122.261 114.554 -0.036 0.000 2.770 442 T HA 0.537 4.834 4.350 -0.090 0.000 0.297 442 T C -0.307 174.341 174.700 -0.087 0.000 0.997 442 T CA -0.144 61.930 62.100 -0.043 0.000 0.949 442 T CB 0.553 69.383 68.868 -0.065 0.000 0.941 442 T HN 0.520 nan 8.240 nan 0.000 0.457 443 L N 3.998 125.185 121.223 -0.060 0.000 2.290 443 L HA 0.413 4.700 4.340 -0.090 0.000 0.284 443 L C 0.818 177.628 176.870 -0.100 0.000 1.078 443 L CA -0.444 54.330 54.840 -0.111 0.000 0.815 443 L CB 0.806 42.784 42.059 -0.135 0.000 1.162 443 L HN 0.585 nan 8.230 nan 0.000 0.435 444 E N 1.853 121.981 120.200 -0.120 0.000 2.254 444 E HA 0.247 4.543 4.350 -0.090 0.000 0.258 444 E C -0.220 176.307 176.600 -0.121 0.000 1.033 444 E CA -0.764 55.558 56.400 -0.130 0.000 0.893 444 E CB 0.798 30.416 29.700 -0.136 0.000 1.204 444 E HN 0.479 nan 8.360 nan 0.000 0.425 445 E N -0.446 119.679 120.200 -0.125 0.000 2.660 445 E HA -0.300 3.996 4.350 -0.090 0.000 0.260 445 E C 0.547 177.064 176.600 -0.139 0.000 1.122 445 E CA 0.311 56.642 56.400 -0.116 0.000 0.755 445 E CB -1.682 27.968 29.700 -0.083 0.000 1.345 445 E HN 0.953 nan 8.360 nan 0.000 0.421 446 G N -0.100 108.593 108.800 -0.178 0.000 2.189 446 G HA2 -0.444 3.463 3.960 -0.090 0.000 0.267 446 G HA3 -0.444 3.463 3.960 -0.090 0.000 0.267 446 G C 0.754 175.592 174.900 -0.104 0.000 0.975 446 G CA 0.846 45.844 45.100 -0.170 0.000 0.644 446 G HN 0.396 nan 8.290 nan 0.000 0.537 447 K N 0.320 120.665 120.400 -0.092 0.000 2.442 447 K HA -0.018 4.248 4.320 -0.090 0.000 0.199 447 K C 2.566 179.119 176.600 -0.077 0.000 1.044 447 K CA 0.806 57.047 56.287 -0.076 0.000 0.941 447 K CB -0.322 32.130 32.500 -0.079 0.000 0.759 447 K HN 0.451 nan 8.250 nan 0.000 0.472 448 G N 1.583 110.348 108.800 -0.060 0.000 2.471 448 G HA2 -0.218 3.689 3.960 -0.090 0.000 0.219 448 G HA3 -0.218 3.689 3.960 -0.090 0.000 0.219 448 G C 0.928 175.821 174.900 -0.012 0.000 1.125 448 G CA 0.555 45.639 45.100 -0.026 0.000 0.775 448 G HN 0.261 nan 8.290 nan 0.000 0.548 449 D N 0.687 121.072 120.400 -0.024 0.000 2.219 449 D HA -0.045 4.541 4.640 -0.090 0.000 0.205 449 D C 2.492 178.779 176.300 -0.022 0.000 0.970 449 D CA 0.229 54.219 54.000 -0.017 0.000 0.851 449 D CB -0.038 40.744 40.800 -0.030 0.000 0.943 449 D HN 0.314 nan 8.370 nan 0.000 0.488 450 L N 0.607 121.809 121.223 -0.035 0.000 2.349 450 L HA -0.135 4.151 4.340 -0.090 0.000 0.220 450 L C 0.381 177.228 176.870 -0.038 0.000 1.130 450 L CA 0.793 55.612 54.840 -0.034 0.000 0.791 450 L CB -0.611 41.428 42.059 -0.033 0.000 0.918 450 L HN 0.058 nan 8.230 nan 0.000 0.444 451 E N -0.318 119.857 120.200 -0.042 0.000 2.389 451 E HA -0.266 4.031 4.350 -0.090 0.000 0.243 451 E C 0.560 177.115 176.600 -0.076 0.000 1.154 451 E CA 0.518 56.886 56.400 -0.052 0.000 0.723 451 E CB -1.142 28.536 29.700 -0.037 0.000 1.261 451 E HN 0.624 nan 8.360 nan 0.000 0.390 452 E N -1.041 119.117 120.200 -0.070 0.000 2.452 452 E HA 0.000 4.297 4.350 -0.090 0.000 0.197 452 E C 0.332 176.785 176.600 -0.245 0.000 1.022 452 E CA 0.403 56.725 56.400 -0.131 0.000 0.890 452 E CB 0.347 29.986 29.700 -0.101 0.000 0.918 452 E HN 0.354 nan 8.360 nan 0.000 0.496 453 Y N 0.287 120.442 120.300 -0.242 0.000 2.713 453 Y HA 0.311 4.807 4.550 -0.090 0.000 0.269 453 Y C 0.794 176.626 175.900 -0.114 0.000 1.106 453 Y CA -0.060 57.911 58.100 -0.215 0.000 1.174 453 Y CB 1.046 39.303 38.460 -0.339 0.000 1.186 453 Y HN 0.043 nan 8.280 nan 0.000 0.555 454 G N 0.228 108.996 108.800 -0.054 0.000 2.697 454 G HA2 -0.245 3.662 3.960 -0.090 0.000 0.240 454 G HA3 -0.245 3.662 3.960 -0.090 0.000 0.240 454 G C -0.599 174.252 174.900 -0.081 0.000 1.346 454 G CA -0.678 44.311 45.100 -0.185 0.000 0.887 454 G HN 0.435 nan 8.290 nan 0.000 0.569 455 H N 0.639 119.808 119.070 0.165 0.000 2.652 455 H HA 0.374 4.876 4.556 -0.089 0.000 0.349 455 H C 0.520 175.848 175.328 -0.000 0.000 1.099 455 H CA 0.250 56.364 56.048 0.111 0.000 1.417 455 H CB 0.845 30.634 29.762 0.046 0.000 1.457 455 H HN 0.631 nan 8.280 nan 0.000 0.568 456 D N 1.722 122.111 120.400 -0.019 0.000 2.443 456 D HA -0.048 4.538 4.640 -0.090 0.000 0.239 456 D C 0.941 177.106 176.300 -0.226 0.000 1.136 456 D CA -0.038 53.745 54.000 -0.361 0.000 0.879 456 D CB 0.783 41.463 40.800 -0.200 0.000 1.195 456 D HN 0.447 nan 8.370 nan 0.000 0.443 457 L N 2.277 123.353 121.223 -0.245 0.000 2.509 457 L HA 0.086 4.372 4.340 -0.090 0.000 0.222 457 L C 0.469 177.189 176.870 -0.250 0.000 1.123 457 L CA -0.278 54.462 54.840 -0.167 0.000 0.856 457 L CB -0.207 41.841 42.059 -0.018 0.000 0.985 457 L HN 0.268 nan 8.230 nan 0.000 0.456 458 L N 0.034 121.130 121.223 -0.212 0.000 2.397 458 L HA 0.181 4.468 4.340 -0.090 0.000 0.271 458 L C 0.205 176.943 176.870 -0.219 0.000 1.148 458 L CA 0.554 55.313 54.840 -0.135 0.000 0.825 458 L CB 0.135 42.169 42.059 -0.041 0.000 1.117 458 L HN 0.004 nan 8.230 nan 0.000 0.456 459 H N 0.712 119.845 119.070 0.104 0.000 2.569 459 H HA 0.321 4.824 4.556 -0.089 0.000 0.357 459 H C -0.581 174.823 175.328 0.126 0.000 1.153 459 H CA -0.704 55.414 56.048 0.117 0.000 1.193 459 H CB 1.690 31.545 29.762 0.154 0.000 1.602 459 H HN 0.436 nan 8.280 nan 0.000 0.523 460 T N 2.444 117.139 114.554 0.236 0.000 2.769 460 T HA 0.100 4.396 4.350 -0.090 0.000 0.293 460 T C 1.589 176.398 174.700 0.181 0.000 0.931 460 T CA -0.206 62.003 62.100 0.181 0.000 1.139 460 T CB 0.082 69.028 68.868 0.130 0.000 0.881 460 T HN 0.515 nan 8.240 nan 0.000 0.532 461 V N 1.386 121.422 119.914 0.203 0.000 3.645 461 V HA 0.566 4.632 4.120 -0.090 0.000 0.275 461 V C -0.025 176.204 176.094 0.224 0.000 1.356 461 V CA -0.115 62.300 62.300 0.192 0.000 1.051 461 V CB -0.407 31.554 31.823 0.230 0.000 0.828 461 V HN 0.651 nan 8.190 nan 0.000 0.441 462 F N 1.109 121.087 119.950 0.047 0.000 2.596 462 F HA 0.746 5.218 4.527 -0.091 0.000 0.311 462 F C -0.870 174.947 175.800 0.028 0.000 1.116 462 F CA -0.807 57.208 58.000 0.025 0.000 0.957 462 F CB 1.814 40.821 39.000 0.012 0.000 1.250 462 F HN -0.018 nan 8.300 nan 0.000 0.444 463 K N 4.938 125.047 120.400 -0.486 0.000 2.589 463 K HA 0.284 4.550 4.320 -0.090 0.000 0.253 463 K C -1.041 175.301 176.600 -0.430 0.000 0.974 463 K CA -0.560 55.564 56.287 -0.272 0.000 0.835 463 K CB 0.881 33.318 32.500 -0.104 0.000 1.272 463 K HN 0.748 nan 8.250 nan 0.000 0.444 464 N N 2.916 121.446 118.700 -0.282 0.000 2.705 464 N HA -0.217 4.469 4.740 -0.090 0.000 0.255 464 N C 0.462 175.838 175.510 -0.223 0.000 1.008 464 N CA 1.741 54.651 53.050 -0.234 0.000 0.742 464 N CB -1.138 37.224 38.487 -0.208 0.000 0.906 464 N HN 1.139 nan 8.380 nan 0.000 0.541 465 G N -1.402 107.174 108.800 -0.372 0.000 2.179 465 G HA2 -0.337 3.569 3.960 -0.090 0.000 0.260 465 G HA3 -0.337 3.569 3.960 -0.090 0.000 0.260 465 G C -0.065 174.627 174.900 -0.346 0.000 0.977 465 G CA 0.865 45.866 45.100 -0.165 0.000 0.641 465 G HN 0.558 nan 8.290 nan 0.000 0.533 466 K N -0.166 119.812 120.400 -0.703 0.000 2.371 466 K HA 0.620 4.886 4.320 -0.090 0.000 0.251 466 K C -0.351 175.973 176.600 -0.460 0.000 0.934 466 K CA -0.981 55.062 56.287 -0.406 0.000 0.798 466 K CB 3.111 35.485 32.500 -0.209 0.000 1.204 466 K HN -0.002 nan 8.250 nan 0.000 0.427 467 V N 2.960 122.791 119.914 -0.137 0.000 2.405 467 V HA -0.006 4.061 4.120 -0.090 0.000 0.264 467 V C 1.327 177.394 176.094 -0.044 0.000 1.048 467 V CA 0.157 62.460 62.300 0.005 0.000 0.966 467 V CB 0.521 32.381 31.823 0.061 0.000 1.015 467 V HN 1.027 nan 8.190 nan 0.000 0.477 468 T N 1.473 116.007 114.554 -0.034 0.000 3.081 468 T HA 0.168 4.464 4.350 -0.090 0.000 0.255 468 T C 0.471 175.146 174.700 -0.041 0.000 1.113 468 T CA 0.142 62.218 62.100 -0.039 0.000 1.082 468 T CB 0.200 69.053 68.868 -0.024 0.000 0.939 468 T HN 0.506 nan 8.240 nan 0.000 0.506 469 K N 0.837 121.214 120.400 -0.039 0.000 2.557 469 K HA 0.474 4.741 4.320 -0.090 0.000 0.257 469 K C -1.412 175.081 176.600 -0.178 0.000 0.933 469 K CA -0.439 55.770 56.287 -0.130 0.000 0.820 469 K CB 1.945 34.373 32.500 -0.120 0.000 1.330 469 K HN 0.246 nan 8.250 nan 0.000 0.432 470 S N 1.436 116.926 115.700 -0.350 0.000 2.732 470 S HA 0.683 5.099 4.470 -0.090 0.000 0.293 470 S C -1.459 172.757 174.600 -0.641 0.000 1.159 470 S CA -0.743 57.271 58.200 -0.309 0.000 0.847 470 S CB 1.007 64.141 63.200 -0.109 0.000 1.169 470 S HN 0.450 nan 8.310 nan 0.000 0.501 471 Y N 0.576 120.965 120.300 0.147 0.000 2.504 471 Y HA 0.608 5.102 4.550 -0.093 0.000 0.344 471 Y C 0.476 176.542 175.900 0.277 0.000 1.023 471 Y CA -0.747 57.465 58.100 0.187 0.000 1.020 471 Y CB 2.196 40.785 38.460 0.215 0.000 1.282 471 Y HN 0.961 nan 8.280 nan 0.000 0.454 472 S N 0.947 116.853 115.700 0.344 0.000 2.614 472 S HA 0.191 4.607 4.470 -0.090 0.000 0.265 472 S C 0.545 175.370 174.600 0.375 0.000 1.303 472 S CA -0.488 57.906 58.200 0.324 0.000 1.000 472 S CB 0.576 63.894 63.200 0.197 0.000 0.935 472 S HN 0.649 nan 8.310 nan 0.000 0.551 473 F N 1.208 121.276 119.950 0.198 0.000 2.293 473 F HA -0.033 4.470 4.527 -0.041 0.000 0.300 473 F C 1.714 177.506 175.800 -0.014 0.000 1.086 473 F CA 1.280 59.301 58.000 0.036 0.000 1.375 473 F CB -0.408 38.591 39.000 -0.002 0.000 1.045 473 F HN 0.641 nan 8.300 nan 0.000 0.516 474 D N -0.112 120.342 120.400 0.089 0.000 2.144 474 D HA -0.149 4.437 4.640 -0.090 0.000 0.200 474 D C 2.045 178.308 176.300 -0.062 0.000 0.978 474 D CA 1.002 54.998 54.000 -0.008 0.000 0.833 474 D CB -0.229 40.601 40.800 0.051 0.000 0.961 474 D HN 0.316 nan 8.370 nan 0.000 0.470 475 E N 0.780 120.988 120.200 0.014 0.000 2.072 475 E HA -0.084 4.212 4.350 -0.090 0.000 0.191 475 E C 2.541 179.091 176.600 -0.084 0.000 0.985 475 E CA 0.239 56.656 56.400 0.028 0.000 0.801 475 E CB -0.357 29.454 29.700 0.184 0.000 0.750 475 E HN 0.132 nan 8.360 nan 0.000 0.452 476 V N 1.436 121.251 119.914 -0.164 0.000 2.287 476 V HA -0.281 3.785 4.120 -0.090 0.000 0.248 476 V C 2.475 178.314 176.094 -0.425 0.000 1.053 476 V CA 1.963 64.068 62.300 -0.325 0.000 1.027 476 V CB -0.463 31.045 31.823 -0.525 0.000 0.646 476 V HN 0.194 nan 8.190 nan 0.000 0.447 477 R N -0.089 120.083 120.500 -0.546 0.000 2.091 477 R HA -0.219 4.067 4.340 -0.090 0.000 0.238 477 R C 2.421 178.554 176.300 -0.278 0.000 1.136 477 R CA 1.761 57.579 56.100 -0.469 0.000 0.959 477 R CB -0.362 29.669 30.300 -0.448 0.000 0.856 477 R HN 0.327 nan 8.270 nan 0.000 0.437 478 K N 0.988 121.269 120.400 -0.198 0.000 2.032 478 K HA -0.127 4.139 4.320 -0.090 0.000 0.209 478 K C 1.571 178.105 176.600 -0.110 0.000 1.048 478 K CA 1.656 57.870 56.287 -0.123 0.000 0.927 478 K CB -0.253 32.205 32.500 -0.071 0.000 0.712 478 K HN 0.066 nan 8.250 nan 0.000 0.441 479 N N 0.114 118.743 118.700 -0.117 0.000 2.289 479 N HA -0.102 4.584 4.740 -0.090 0.000 0.184 479 N C 1.144 176.596 175.510 -0.096 0.000 1.016 479 N CA 1.346 54.343 53.050 -0.088 0.000 0.872 479 N CB -0.219 38.208 38.487 -0.101 0.000 0.973 479 N HN 0.344 nan 8.380 nan 0.000 0.433 480 A N 0.472 123.199 122.820 -0.156 0.000 2.275 480 A HA 0.071 4.338 4.320 -0.090 0.000 0.212 480 A C 0.804 178.297 177.584 -0.152 0.000 1.201 480 A CA -0.160 51.781 52.037 -0.159 0.000 0.843 480 A CB -0.068 18.790 19.000 -0.236 0.000 0.873 480 A HN 0.259 nan 8.150 nan 0.000 0.492 481 Q N -0.130 119.585 119.800 -0.142 0.000 2.469 481 Q HA 0.272 4.559 4.340 -0.090 0.000 0.279 481 Q C -0.474 175.469 176.000 -0.096 0.000 1.097 481 Q CA 0.224 55.947 55.803 -0.132 0.000 0.951 481 Q CB 0.440 29.114 28.738 -0.107 0.000 1.297 481 Q HN 0.511 nan 8.270 nan 0.000 0.465 482 L N 1.518 122.682 121.223 -0.098 0.000 2.439 482 L HA 0.329 4.615 4.340 -0.090 0.000 0.259 482 L C 0.135 176.979 176.870 -0.043 0.000 1.129 482 L CA -0.574 54.226 54.840 -0.067 0.000 0.803 482 L CB 0.420 42.433 42.059 -0.076 0.000 1.161 482 L HN 0.791 nan 8.230 nan 0.000 0.462 483 N N 0.000 118.685 118.700 -0.024 0.000 1.763 483 N HA 0.000 4.686 4.740 -0.090 0.000 0.220 483 N CA 0.000 53.042 53.050 -0.013 0.000 0.885 483 N CB 0.000 38.476 38.487 -0.019 0.000 1.341 483 N HN 0.000 nan 8.380 nan 0.000 0.667