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 3bix_1_A DATA FIRST_RESID 52 DATA SEQUENCE DPLVTTNFGK IRGIKKELNN EILGPVIQFL GVPYAAPPTG EHRFQPPEPP DATA SEQUENCE SPWSDIRNAT QFAPVcPQNI IDGRLPEVML PVWFTNNLDV VSSYVQDQSE DATA SEQUENCE DcLYLNIYVP TXXXXXXXXX XXXXXXXXXX XXXXXXXXXG PKPVMVYIHG DATA SEQUENCE GSYMEGTGNL YDGSVLASYG NVIVITVNYR LGVLGFLSTG DQAAKGNYGL DATA SEQUENCE LDLIQALRWT SENIGFFGGD PLRITVFGSG AGGSCVNLLT LSHYSEXXXX DATA SEQUENCE XXXXKGLFQR AIAQSGTALS SWAVSFQPAK YARILATKVG cNVSDTVELV DATA SEQUENCE EcLQKKPYKE LVDQDVQPAR YHIAFGPVID GDVIPDDPQI LMEQGEFLNY DATA SEQUENCE DIMLGVNQGE GLKFVENIVD SDDGVSASDF DFAVSNFVDN LYGYPEGKDV DATA SEQUENCE LRETIKFMYT DWADRHNPET RRKTLLALFT DHQWVAPAVA TADLHSNFGS DATA SEQUENCE PTYFYAFYHH cQTDQVPAWA DAAHGDEVPY VLGIPMIGPT ELFPcNFSKN DATA SEQUENCE DVMLSAVVMT YWTNFAKTGD PNQPVPQDTK FIHTKPNRFE EVAWTRYSQK DATA SEQUENCE DQLYLHIGLK PRVKEHYRAN KVNLWLELVP HLHNLNDHHH H 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 52 D HA 0.000 nan 4.640 nan 0.000 0.175 52 D C 0.000 176.320 176.300 0.034 0.000 2.045 52 D CA 0.000 54.008 54.000 0.014 0.000 0.868 52 D CB 0.000 40.811 40.800 0.019 0.000 0.688 53 P HA 0.282 nan 4.420 nan 0.000 0.267 53 P C -0.569 176.834 177.300 0.172 0.000 1.328 53 P CA 0.037 63.183 63.100 0.076 0.000 0.990 53 P CB 0.209 31.886 31.700 -0.038 0.000 1.168 54 L N 3.090 124.417 121.223 0.173 0.000 2.346 54 L HA 0.644 4.984 4.340 -0.000 0.000 0.276 54 L C -0.267 176.676 176.870 0.122 0.000 1.006 54 L CA -1.055 53.891 54.840 0.176 0.000 0.817 54 L CB 2.205 44.323 42.059 0.098 0.000 1.272 54 L HN -0.005 nan 8.230 nan 0.000 0.421 55 V N 1.079 121.033 119.914 0.067 0.000 2.760 55 V HA 0.387 4.507 4.120 -0.000 0.000 0.309 55 V C -0.290 175.687 176.094 -0.194 0.000 1.077 55 V CA -0.493 61.685 62.300 -0.203 0.000 0.910 55 V CB 2.438 33.832 31.823 -0.714 0.000 1.008 55 V HN 0.744 nan 8.190 nan 0.000 0.424 56 T N 3.515 117.901 114.554 -0.281 0.000 2.743 56 T HA 0.525 4.875 4.350 -0.000 0.000 0.292 56 T C 0.305 174.627 174.700 -0.631 0.000 0.972 56 T CA -0.267 61.638 62.100 -0.326 0.000 0.967 56 T CB 1.062 69.743 68.868 -0.313 0.000 0.926 56 T HN 0.959 nan 8.240 nan 0.000 0.459 57 T N 0.705 114.998 114.554 -0.435 0.000 2.893 57 T HA 0.344 4.694 4.350 -0.000 0.000 0.279 57 T C 1.253 175.626 174.700 -0.544 0.000 0.991 57 T CA -0.918 60.906 62.100 -0.461 0.000 0.950 57 T CB 0.766 69.747 68.868 0.188 0.000 1.223 57 T HN 0.231 nan 8.240 nan 0.000 0.585 58 N N -0.429 118.031 118.700 -0.400 0.000 2.520 58 N HA 0.042 4.782 4.740 -0.000 0.000 0.185 58 N C 0.593 175.627 175.510 -0.794 0.000 1.068 58 N CA 0.764 53.475 53.050 -0.565 0.000 0.911 58 N CB -0.427 37.691 38.487 -0.614 0.000 0.961 58 N HN 0.594 nan 8.380 nan 0.000 0.446 59 F N -0.624 119.139 119.950 -0.312 0.000 2.704 59 F HA 0.407 4.934 4.527 -0.000 0.000 0.304 59 F C 1.438 176.502 175.800 -1.226 0.000 1.094 59 F CA 0.015 57.665 58.000 -0.583 0.000 1.275 59 F CB 0.624 39.369 39.000 -0.425 0.000 1.073 59 F HN -0.094 nan 8.300 nan 0.000 0.586 60 G N 0.266 108.608 108.800 -0.763 0.000 2.361 60 G HA2 0.061 4.021 3.960 -0.000 0.000 0.331 60 G HA3 0.061 4.021 3.960 -0.000 0.000 0.331 60 G C -1.406 173.446 174.900 -0.080 0.000 1.324 60 G CA -1.356 43.283 45.100 -0.770 0.000 0.984 60 G HN -0.072 nan 8.290 nan 0.000 0.586 61 K N -0.327 120.196 120.400 0.205 0.000 2.218 61 K HA 0.639 4.959 4.320 -0.000 0.000 0.276 61 K C -0.172 176.742 176.600 0.523 0.000 1.022 61 K CA -0.074 56.384 56.287 0.284 0.000 0.946 61 K CB 1.196 33.800 32.500 0.173 0.000 1.000 61 K HN 0.389 nan 8.250 nan 0.000 0.468 62 I N 2.062 122.859 120.570 0.378 0.000 2.582 62 I HA 0.337 4.507 4.170 -0.000 0.000 0.292 62 I C -0.397 175.947 176.117 0.378 0.000 1.066 62 I CA -0.954 60.586 61.300 0.400 0.000 1.053 62 I CB 2.192 40.499 38.000 0.512 0.000 1.241 62 I HN 0.491 nan 8.210 nan 0.000 0.421 63 R N 3.768 124.441 120.500 0.288 0.000 2.338 63 R HA 0.696 5.036 4.340 -0.000 0.000 0.317 63 R C -0.250 176.115 176.300 0.109 0.000 0.968 63 R CA -0.297 55.923 56.100 0.202 0.000 0.849 63 R CB 1.600 31.951 30.300 0.085 0.000 1.128 63 R HN 0.857 nan 8.270 nan 0.000 0.448 64 G N 3.193 111.910 108.800 -0.138 0.000 2.671 64 G HA2 0.515 4.475 3.960 -0.000 0.000 0.275 64 G HA3 0.515 4.475 3.960 -0.000 0.000 0.275 64 G C -1.086 173.573 174.900 -0.401 0.000 1.368 64 G CA -0.771 43.911 45.100 -0.697 0.000 1.044 64 G HN 0.613 nan 8.290 nan 0.000 0.543 65 I N -0.494 119.820 120.570 -0.426 0.000 2.571 65 I HA 0.408 4.578 4.170 -0.000 0.000 0.289 65 I C -0.363 175.635 176.117 -0.197 0.000 1.115 65 I CA -0.865 60.291 61.300 -0.240 0.000 1.045 65 I CB 1.964 39.848 38.000 -0.193 0.000 1.238 65 I HN 0.443 nan 8.210 nan 0.000 0.424 66 K N 5.738 126.065 120.400 -0.123 0.000 2.326 66 K HA 0.226 4.546 4.320 -0.000 0.000 0.275 66 K C -0.995 175.575 176.600 -0.051 0.000 1.018 66 K CA -0.105 56.140 56.287 -0.070 0.000 0.962 66 K CB 0.798 33.275 32.500 -0.039 0.000 0.953 66 K HN 0.433 nan 8.250 nan 0.000 0.475 67 K N 2.932 123.321 120.400 -0.019 0.000 2.507 67 K HA 0.200 4.520 4.320 -0.000 0.000 0.251 67 K C -1.363 175.245 176.600 0.013 0.000 0.943 67 K CA -0.503 55.782 56.287 -0.004 0.000 0.794 67 K CB 1.426 33.934 32.500 0.013 0.000 1.188 67 K HN 0.474 nan 8.250 nan 0.000 0.428 68 E N 3.604 123.807 120.200 0.005 0.000 2.313 68 E HA 0.285 4.635 4.350 -0.000 0.000 0.272 68 E C -0.210 176.396 176.600 0.009 0.000 1.038 68 E CA -0.517 55.888 56.400 0.008 0.000 0.863 68 E CB 1.059 30.759 29.700 -0.000 0.000 1.060 68 E HN 0.498 nan 8.360 nan 0.000 0.402 69 L N 1.963 123.192 121.223 0.010 0.000 2.344 69 L HA 0.276 4.616 4.340 -0.000 0.000 0.272 69 L C 0.797 177.664 176.870 -0.004 0.000 1.035 69 L CA -0.805 54.038 54.840 0.004 0.000 0.807 69 L CB 0.587 42.649 42.059 0.004 0.000 1.237 69 L HN 0.356 nan 8.230 nan 0.000 0.442 70 N N 2.754 121.448 118.700 -0.011 0.000 3.210 70 N HA 0.019 4.759 4.740 -0.000 0.000 0.314 70 N C -0.924 174.576 175.510 -0.017 0.000 1.291 70 N CA 0.193 53.236 53.050 -0.012 0.000 1.202 70 N CB -0.259 38.221 38.487 -0.012 0.000 1.475 70 N HN 0.525 nan 8.380 nan 0.000 0.554 71 N N 0.548 119.240 118.700 -0.013 0.000 2.600 71 N HA 0.018 4.758 4.740 -0.000 0.000 0.272 71 N C -0.143 175.364 175.510 -0.005 0.000 1.095 71 N CA -0.179 52.864 53.050 -0.013 0.000 0.993 71 N CB 1.049 39.524 38.487 -0.020 0.000 1.603 71 N HN 0.210 nan 8.380 nan 0.000 0.526 72 E N 2.390 122.585 120.200 -0.008 0.000 2.265 72 E HA -0.063 4.287 4.350 -0.000 0.000 0.196 72 E C 1.228 177.826 176.600 -0.004 0.000 0.996 72 E CA 1.042 57.436 56.400 -0.010 0.000 0.832 72 E CB 0.478 30.165 29.700 -0.021 0.000 0.756 72 E HN 0.635 nan 8.360 nan 0.000 0.491 73 I N 0.699 121.274 120.570 0.007 0.000 2.585 73 I HA -0.062 4.108 4.170 -0.000 0.000 0.254 73 I C 0.920 177.054 176.117 0.028 0.000 1.129 73 I CA 0.127 61.440 61.300 0.022 0.000 1.455 73 I CB 0.159 38.188 38.000 0.048 0.000 1.111 73 I HN -0.032 nan 8.210 nan 0.000 0.433 74 L N 1.639 122.880 121.223 0.030 0.000 2.410 74 L HA 0.229 4.569 4.340 -0.000 0.000 0.273 74 L C 0.852 177.738 176.870 0.027 0.000 1.152 74 L CA -0.362 54.500 54.840 0.036 0.000 0.855 74 L CB 0.268 42.350 42.059 0.039 0.000 1.129 74 L HN 0.079 nan 8.230 nan 0.000 0.463 75 G N 3.289 112.107 108.800 0.030 0.000 2.572 75 G HA2 0.426 4.386 3.960 -0.000 0.000 0.261 75 G HA3 0.426 4.386 3.960 -0.000 0.000 0.261 75 G C -2.416 172.506 174.900 0.037 0.000 1.197 75 G CA -0.886 44.231 45.100 0.029 0.000 0.870 75 G HN 0.397 nan 8.290 nan 0.000 0.548 76 P HA 0.315 nan 4.420 nan 0.000 0.274 76 P C -0.188 177.149 177.300 0.061 0.000 1.256 76 P CA -0.152 62.972 63.100 0.040 0.000 0.795 76 P CB 1.377 33.093 31.700 0.027 0.000 1.038 77 V N -2.494 117.463 119.914 0.072 0.000 3.102 77 V HA 0.586 4.706 4.120 -0.000 0.000 0.312 77 V C -0.543 175.596 176.094 0.075 0.000 1.135 77 V CA -1.077 61.287 62.300 0.107 0.000 1.022 77 V CB 2.071 33.994 31.823 0.167 0.000 1.056 77 V HN 0.227 nan 8.190 nan 0.000 0.436 78 I N 2.215 122.839 120.570 0.090 0.000 2.354 78 I HA 0.527 4.697 4.170 -0.000 0.000 0.292 78 I C -0.079 175.999 176.117 -0.066 0.000 0.989 78 I CA -0.228 61.059 61.300 -0.021 0.000 1.188 78 I CB 1.162 39.184 38.000 0.036 0.000 1.342 78 I HN 0.853 nan 8.210 nan 0.000 0.457 79 Q N 5.538 125.189 119.800 -0.247 0.000 2.282 79 Q HA 0.546 4.886 4.340 -0.000 0.000 0.260 79 Q C -1.516 174.197 176.000 -0.479 0.000 0.964 79 Q CA -0.482 55.138 55.803 -0.306 0.000 0.880 79 Q CB 2.296 30.862 28.738 -0.288 0.000 1.286 79 Q HN 0.362 nan 8.270 nan 0.000 0.445 80 F N 2.711 122.572 119.950 -0.150 0.000 2.359 80 F HA 0.370 4.897 4.527 -0.000 0.000 0.369 80 F C -0.524 175.202 175.800 -0.125 0.000 1.084 80 F CA -0.562 57.413 58.000 -0.042 0.000 1.096 80 F CB 0.698 39.767 39.000 0.114 0.000 1.335 80 F HN 0.230 nan 8.300 nan 0.000 0.457 81 L N 2.332 123.524 121.223 -0.051 0.000 2.325 81 L HA 0.673 5.013 4.340 -0.000 0.000 0.279 81 L C 0.956 177.837 176.870 0.018 0.000 1.054 81 L CA -0.926 53.872 54.840 -0.071 0.000 0.804 81 L CB 1.447 43.304 42.059 -0.336 0.000 1.200 81 L HN 0.829 nan 8.230 nan 0.000 0.436 82 G N 2.410 111.278 108.800 0.113 0.000 2.256 82 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.272 82 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.272 82 G C -0.270 174.736 174.900 0.178 0.000 1.076 82 G CA -0.292 44.852 45.100 0.073 0.000 0.882 82 G HN 0.355 nan 8.290 nan 0.000 0.497 83 V N 2.304 122.330 119.914 0.188 0.000 2.432 83 V HA 0.378 4.498 4.120 -0.000 0.000 0.271 83 V C -1.049 175.063 176.094 0.030 0.000 1.046 83 V CA -1.306 61.059 62.300 0.108 0.000 0.945 83 V CB 1.365 33.180 31.823 -0.012 0.000 0.992 83 V HN 0.367 nan 8.190 nan 0.000 0.471 84 P HA 0.101 nan 4.420 nan 0.000 0.276 84 P C -0.656 176.341 177.300 -0.504 0.000 1.243 84 P CA 0.074 62.904 63.100 -0.449 0.000 0.768 84 P CB 0.448 31.962 31.700 -0.310 0.000 0.856 85 Y N 2.272 122.183 120.300 -0.649 0.000 2.481 85 Y HA 0.725 5.275 4.550 -0.000 0.000 0.247 85 Y C 0.025 175.710 175.900 -0.357 0.000 1.151 85 Y CA -0.882 56.772 58.100 -0.743 0.000 1.238 85 Y CB 0.167 38.185 38.460 -0.737 0.000 1.179 85 Y HN 0.477 nan 8.280 nan 0.000 0.524 86 A N 0.663 123.093 122.820 -0.650 0.000 2.599 86 A HA 0.841 5.161 4.320 -0.000 0.000 0.290 86 A C -1.043 176.278 177.584 -0.438 0.000 1.101 86 A CA -0.736 51.037 52.037 -0.440 0.000 0.674 86 A CB 0.256 18.980 19.000 -0.460 0.000 1.277 86 A HN 0.625 nan 8.150 nan 0.000 0.419 87 A N 0.599 123.236 122.820 -0.304 0.000 2.351 87 A HA 0.694 5.014 4.320 -0.000 0.000 0.257 87 A C -2.521 174.886 177.584 -0.295 0.000 1.087 87 A CA -1.324 50.552 52.037 -0.269 0.000 0.798 87 A CB -0.653 18.204 19.000 -0.239 0.000 1.033 87 A HN 0.474 nan 8.150 nan 0.000 0.488 88 P HA 0.119 nan 4.420 nan 0.000 0.263 88 P C -2.278 174.921 177.300 -0.168 0.000 1.195 88 P CA -0.551 62.434 63.100 -0.193 0.000 0.762 88 P CB 0.193 31.828 31.700 -0.108 0.000 0.799 89 P HA 0.030 nan 4.420 nan 0.000 0.218 89 P C -0.451 176.778 177.300 -0.119 0.000 1.793 89 P CA 0.055 63.074 63.100 -0.135 0.000 0.941 89 P CB -0.263 31.331 31.700 -0.176 0.000 1.919 90 T N -3.894 110.630 114.554 -0.051 0.000 2.949 90 T HA 0.646 4.996 4.350 -0.000 0.000 0.287 90 T C 0.846 175.529 174.700 -0.028 0.000 1.034 90 T CA 0.139 62.203 62.100 -0.060 0.000 1.018 90 T CB 1.620 70.465 68.868 -0.039 0.000 1.135 90 T HN 0.299 nan 8.240 nan 0.000 0.532 91 G N 1.246 110.007 108.800 -0.064 0.000 2.591 91 G HA2 -0.321 3.638 3.960 -0.000 0.000 0.298 91 G HA3 -0.321 3.638 3.960 -0.000 0.000 0.298 91 G C 0.656 175.476 174.900 -0.133 0.000 1.195 91 G CA 0.575 45.630 45.100 -0.075 0.000 0.989 91 G HN 0.913 nan 8.290 nan 0.000 0.551 92 E N 0.684 120.765 120.200 -0.198 0.000 2.478 92 E HA -0.028 4.322 4.350 -0.000 0.000 0.198 92 E C 1.610 177.999 176.600 -0.350 0.000 1.046 92 E CA 0.646 56.887 56.400 -0.266 0.000 0.870 92 E CB -0.099 29.416 29.700 -0.309 0.000 0.818 92 E HN 0.598 nan 8.360 nan 0.000 0.527 93 H N 0.218 119.228 119.070 -0.100 0.000 2.539 93 H HA 0.097 4.653 4.556 -0.000 0.000 0.269 93 H C 0.682 175.877 175.328 -0.221 0.000 0.980 93 H CA 0.108 56.082 56.048 -0.124 0.000 1.152 93 H CB 0.058 29.756 29.762 -0.105 0.000 1.407 93 H HN 0.018 nan 8.280 nan 0.000 0.564 94 R N 0.472 120.838 120.500 -0.224 0.000 2.438 94 R HA -0.009 4.331 4.340 -0.000 0.000 0.287 94 R C -0.365 175.617 176.300 -0.530 0.000 1.077 94 R CA -0.133 55.664 56.100 -0.505 0.000 1.034 94 R CB -0.006 29.905 30.300 -0.648 0.000 0.993 94 R HN -0.035 nan 8.270 nan 0.000 0.459 95 F N 0.290 119.890 119.950 -0.583 0.000 3.074 95 F HA -0.248 4.279 4.527 0.000 0.000 0.289 95 F C -0.397 174.876 175.800 -0.879 0.000 0.863 95 F CA 0.805 58.169 58.000 -1.061 0.000 1.121 95 F CB -1.759 36.983 39.000 -0.431 0.000 1.169 95 F HN 0.596 nan 8.300 nan 0.000 0.570 96 Q N -0.910 118.612 119.800 -0.465 0.000 2.421 96 Q HA 0.541 4.881 4.340 -0.000 0.000 0.280 96 Q C -2.369 173.680 176.000 0.083 0.000 1.085 96 Q CA -1.917 53.864 55.803 -0.036 0.000 0.807 96 Q CB 2.316 31.081 28.738 0.045 0.000 1.405 96 Q HN -0.180 nan 8.270 nan 0.000 0.419 97 P HA 0.088 nan 4.420 nan 0.000 0.268 97 P C -2.338 175.012 177.300 0.084 0.000 1.208 97 P CA -0.636 62.562 63.100 0.163 0.000 0.777 97 P CB -0.125 31.657 31.700 0.137 0.000 0.875 98 P HA 0.128 nan 4.420 nan 0.000 0.275 98 P C -0.538 176.759 177.300 -0.005 0.000 1.228 98 P CA 0.207 63.302 63.100 -0.008 0.000 0.786 98 P CB 0.872 32.579 31.700 0.012 0.000 0.927 99 E N 1.987 122.138 120.200 -0.083 0.000 2.249 99 E HA 0.474 4.824 4.350 -0.000 0.000 0.263 99 E C -2.297 174.276 176.600 -0.045 0.000 0.950 99 E CA -2.306 54.057 56.400 -0.061 0.000 0.827 99 E CB 0.246 29.850 29.700 -0.161 0.000 1.220 99 E HN 0.315 nan 8.360 nan 0.000 0.411 100 P HA 0.112 nan 4.420 nan 0.000 0.269 100 P C -2.362 174.905 177.300 -0.055 0.000 1.215 100 P CA -0.823 62.312 63.100 0.059 0.000 0.780 100 P CB -0.111 31.714 31.700 0.207 0.000 0.898 101 P HA 0.046 nan 4.420 nan 0.000 0.274 101 P C -0.563 176.701 177.300 -0.060 0.000 1.237 101 P CA -0.139 62.821 63.100 -0.234 0.000 0.793 101 P CB 0.525 31.990 31.700 -0.392 0.000 0.977 102 S N 1.891 117.628 115.700 0.060 0.000 2.565 102 S HA 0.440 4.910 4.470 -0.000 0.000 0.274 102 S C -1.957 172.819 174.600 0.293 0.000 1.309 102 S CA -1.128 57.173 58.200 0.169 0.000 1.043 102 S CB -0.171 63.109 63.200 0.133 0.000 0.939 102 S HN 0.369 nan 8.310 nan 0.000 0.504 103 P HA 0.409 nan 4.420 nan 0.000 0.276 103 P C -1.119 176.276 177.300 0.159 0.000 1.252 103 P CA -0.535 62.613 63.100 0.081 0.000 0.802 103 P CB 0.321 32.011 31.700 -0.017 0.000 1.035 104 W N -0.528 120.854 121.300 0.137 0.000 2.950 104 W HA 0.577 5.236 4.660 -0.000 0.000 0.340 104 W C 0.463 177.023 176.519 0.069 0.000 1.139 104 W CA -0.726 56.673 57.345 0.091 0.000 1.188 104 W CB 0.245 29.759 29.460 0.091 0.000 1.426 104 W HN 0.336 nan 8.180 nan 0.000 0.531 105 S N -0.792 115.039 115.700 0.219 0.000 2.503 105 S HA 0.041 4.511 4.470 -0.000 0.000 0.217 105 S C 0.199 174.901 174.600 0.170 0.000 0.999 105 S CA 0.644 58.912 58.200 0.114 0.000 0.914 105 S CB -0.667 62.579 63.200 0.077 0.000 0.782 105 S HN 0.603 nan 8.310 nan 0.000 0.520 106 D N 1.401 121.972 120.400 0.286 0.000 2.511 106 D HA 0.416 5.056 4.640 -0.000 0.000 0.283 106 D C -0.254 176.234 176.300 0.314 0.000 1.198 106 D CA -1.014 53.121 54.000 0.225 0.000 1.097 106 D CB -0.073 40.819 40.800 0.153 0.000 1.160 106 D HN 0.207 nan 8.370 nan 0.000 0.589 107 I N -0.065 120.622 120.570 0.195 0.000 2.312 107 I HA 0.237 4.407 4.170 -0.000 0.000 0.290 107 I C 0.472 176.640 176.117 0.085 0.000 1.008 107 I CA -0.718 60.695 61.300 0.188 0.000 1.226 107 I CB 0.872 38.943 38.000 0.118 0.000 1.371 107 I HN 0.152 nan 8.210 nan 0.000 0.468 108 R N 5.794 126.304 120.500 0.017 0.000 2.308 108 R HA 0.270 4.610 4.340 -0.000 0.000 0.305 108 R C -0.530 175.719 176.300 -0.085 0.000 1.053 108 R CA -0.639 55.312 56.100 -0.248 0.000 0.957 108 R CB 0.718 30.501 30.300 -0.862 0.000 1.022 108 R HN 0.535 nan 8.270 nan 0.000 0.461 109 N N 2.059 120.704 118.700 -0.091 0.000 2.499 109 N HA 0.198 4.938 4.740 -0.000 0.000 0.281 109 N C -0.856 174.626 175.510 -0.047 0.000 1.098 109 N CA -0.001 53.023 53.050 -0.044 0.000 0.979 109 N CB 1.901 40.354 38.487 -0.058 0.000 1.121 109 N HN 0.647 nan 8.380 nan 0.000 0.466 110 A N 0.880 123.703 122.820 0.005 0.000 3.297 110 A HA 0.256 4.576 4.320 -0.000 0.000 0.304 110 A C 0.744 178.285 177.584 -0.071 0.000 0.963 110 A CA -0.568 51.479 52.037 0.015 0.000 0.935 110 A CB -0.461 18.655 19.000 0.192 0.000 1.093 110 A HN 0.618 nan 8.150 nan 0.000 0.480 111 T N -2.793 111.690 114.554 -0.118 0.000 3.044 111 T HA 0.325 4.675 4.350 -0.000 0.000 0.260 111 T C 0.323 174.894 174.700 -0.215 0.000 1.019 111 T CA 0.242 62.241 62.100 -0.169 0.000 0.921 111 T CB -0.329 68.457 68.868 -0.136 0.000 1.053 111 T HN 0.749 nan 8.240 nan 0.000 0.533 112 Q N 0.026 119.698 119.800 -0.214 0.000 2.435 112 Q HA 0.593 4.933 4.340 -0.000 0.000 0.282 112 Q C -1.526 174.352 176.000 -0.203 0.000 1.020 112 Q CA -1.145 54.504 55.803 -0.257 0.000 0.820 112 Q CB 0.719 29.360 28.738 -0.162 0.000 1.436 112 Q HN 0.039 nan 8.270 nan 0.000 0.395 113 F N 1.331 121.233 119.950 -0.079 0.000 2.553 113 F HA 0.392 4.919 4.527 0.000 0.000 0.356 113 F C 0.932 176.635 175.800 -0.161 0.000 1.142 113 F CA 0.467 58.417 58.000 -0.082 0.000 1.322 113 F CB 0.541 39.520 39.000 -0.034 0.000 1.126 113 F HN 0.759 nan 8.300 nan 0.000 0.599 114 A N 4.079 126.887 122.820 -0.019 0.000 2.257 114 A HA 0.638 4.958 4.320 -0.000 0.000 0.289 114 A C -2.379 175.097 177.584 -0.180 0.000 1.095 114 A CA -1.653 50.189 52.037 -0.325 0.000 0.836 114 A CB -0.254 18.151 19.000 -0.991 0.000 1.111 114 A HN 0.515 nan 8.150 nan 0.000 0.497 115 P HA 0.248 nan 4.420 nan 0.000 0.269 115 P C -0.133 177.126 177.300 -0.068 0.000 1.215 115 P CA -0.103 62.937 63.100 -0.101 0.000 0.780 115 P CB 0.462 32.107 31.700 -0.092 0.000 0.898 116 V N 0.199 120.081 119.914 -0.052 0.000 3.134 116 V HA 0.363 4.483 4.120 -0.000 0.000 0.313 116 V C 0.000 176.057 176.094 -0.062 0.000 1.069 116 V CA -0.637 61.636 62.300 -0.045 0.000 1.048 116 V CB 0.593 32.385 31.823 -0.053 0.000 1.119 116 V HN 0.523 nan 8.190 nan 0.000 0.461 117 c N 2.735 121.295 118.600 -0.066 0.000 2.676 117 c HA 0.352 4.922 4.570 -0.000 0.000 0.416 117 c C -1.980 172.048 174.090 -0.103 0.000 1.299 117 c CA -0.211 56.054 56.329 -0.107 0.000 2.048 117 c CB -0.429 42.023 42.510 -0.097 0.000 2.713 117 c HN 0.807 nan 8.230 nan 0.000 0.624 118 P HA 0.084 nan 4.420 nan 0.000 0.261 118 P C -0.548 176.757 177.300 0.009 0.000 1.173 118 P CA 0.826 63.873 63.100 -0.088 0.000 0.760 118 P CB 0.165 31.756 31.700 -0.183 0.000 0.783 119 Q N 1.664 121.497 119.800 0.055 0.000 2.756 119 Q HA 0.488 4.828 4.340 -0.000 0.000 0.295 119 Q C -1.747 174.298 176.000 0.075 0.000 0.903 119 Q CA -1.072 54.771 55.803 0.067 0.000 0.768 119 Q CB 1.307 30.084 28.738 0.065 0.000 1.472 119 Q HN 0.140 nan 8.270 nan 0.000 0.416 120 N N 1.204 119.950 118.700 0.076 0.000 2.519 120 N HA 0.337 5.077 4.740 -0.000 0.000 0.286 120 N C -0.661 174.893 175.510 0.073 0.000 1.079 120 N CA -0.459 52.631 53.050 0.067 0.000 0.878 120 N CB 1.500 40.024 38.487 0.062 0.000 1.375 120 N HN 0.818 nan 8.380 nan 0.000 0.514 121 I N 1.788 122.402 120.570 0.073 0.000 4.081 121 I HA 0.297 4.467 4.170 -0.000 0.000 0.333 121 I C 0.742 176.892 176.117 0.056 0.000 1.413 121 I CA -0.274 61.082 61.300 0.094 0.000 1.110 121 I CB 0.081 38.168 38.000 0.145 0.000 1.082 121 I HN 0.368 nan 8.210 nan 0.000 0.402 122 I N -1.001 119.590 120.570 0.036 0.000 4.018 122 I HA 0.250 4.420 4.170 -0.000 0.000 0.337 122 I C 0.784 176.913 176.117 0.021 0.000 1.327 122 I CA 0.035 61.346 61.300 0.019 0.000 1.100 122 I CB -0.076 37.928 38.000 0.006 0.000 1.025 122 I HN 0.097 nan 8.210 nan 0.000 0.396 123 D N 1.432 121.850 120.400 0.030 0.000 2.388 123 D HA 0.127 4.767 4.640 -0.000 0.000 0.221 123 D C 1.438 177.756 176.300 0.030 0.000 1.133 123 D CA 0.287 54.304 54.000 0.028 0.000 0.831 123 D CB 0.273 41.092 40.800 0.031 0.000 0.962 123 D HN 0.441 nan 8.370 nan 0.000 0.502 124 G N 2.471 111.290 108.800 0.031 0.000 2.153 124 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.252 124 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.252 124 G C 1.059 175.978 174.900 0.033 0.000 0.994 124 G CA 0.542 45.660 45.100 0.031 0.000 0.698 124 G HN 0.604 nan 8.290 nan 0.000 0.521 125 R N -0.409 120.114 120.500 0.039 0.000 2.299 125 R HA 0.333 4.673 4.340 -0.000 0.000 0.197 125 R C 1.189 177.507 176.300 0.030 0.000 0.971 125 R CA 0.516 56.640 56.100 0.039 0.000 1.030 125 R CB -0.305 30.026 30.300 0.050 0.000 0.932 125 R HN 0.665 nan 8.270 nan 0.000 0.477 126 L N 0.858 122.098 121.223 0.028 0.000 2.360 126 L HA 0.414 4.754 4.340 -0.000 0.000 0.276 126 L C -2.353 174.510 176.870 -0.013 0.000 1.121 126 L CA -2.293 52.549 54.840 0.004 0.000 0.845 126 L CB -0.301 41.770 42.059 0.021 0.000 1.143 126 L HN -0.095 nan 8.230 nan 0.000 0.452 127 P HA 0.101 nan 4.420 nan 0.000 0.271 127 P C 0.015 177.290 177.300 -0.043 0.000 1.380 127 P CA -0.111 62.968 63.100 -0.035 0.000 0.992 127 P CB 0.690 32.352 31.700 -0.062 0.000 1.230 128 E N 1.479 121.681 120.200 0.003 0.000 2.209 128 E HA -0.146 4.204 4.350 -0.000 0.000 0.196 128 E C 1.690 178.328 176.600 0.062 0.000 0.993 128 E CA 1.470 57.882 56.400 0.020 0.000 0.819 128 E CB -0.113 29.611 29.700 0.039 0.000 0.745 128 E HN 0.406 nan 8.360 nan 0.000 0.477 129 V N -1.404 118.582 119.914 0.119 0.000 2.970 129 V HA -0.112 4.008 4.120 -0.000 0.000 0.260 129 V C 1.935 178.164 176.094 0.226 0.000 1.100 129 V CA 1.430 63.891 62.300 0.270 0.000 1.122 129 V CB -0.233 31.852 31.823 0.437 0.000 0.721 129 V HN 0.178 nan 8.190 nan 0.000 0.483 130 M N -0.444 119.086 119.600 -0.117 0.000 2.567 130 M HA 0.379 4.859 4.480 -0.000 0.000 0.261 130 M C 0.553 176.685 176.300 -0.279 0.000 1.180 130 M CA 0.478 55.451 55.300 -0.545 0.000 1.143 130 M CB 0.401 32.462 32.600 -0.897 0.000 1.319 130 M HN 0.306 nan 8.290 nan 0.000 0.490 131 L N 2.452 123.580 121.223 -0.159 0.000 2.418 131 L HA 0.345 4.685 4.340 -0.000 0.000 0.265 131 L C -2.063 174.802 176.870 -0.009 0.000 1.143 131 L CA -2.160 52.575 54.840 -0.174 0.000 0.809 131 L CB -0.049 41.811 42.059 -0.333 0.000 1.124 131 L HN 0.025 nan 8.230 nan 0.000 0.456 132 P HA 0.006 nan 4.420 nan 0.000 0.271 132 P C 0.848 177.944 177.300 -0.340 0.000 1.216 132 P CA -0.181 62.716 63.100 -0.338 0.000 0.771 132 P CB 1.188 32.477 31.700 -0.685 0.000 0.864 133 V N 3.933 123.777 119.914 -0.116 0.000 2.392 133 V HA -0.211 3.909 4.120 -0.000 0.000 0.249 133 V C 2.327 178.426 176.094 0.009 0.000 1.059 133 V CA 2.040 64.328 62.300 -0.022 0.000 1.051 133 V CB -1.447 30.407 31.823 0.052 0.000 0.658 133 V HN 0.734 nan 8.190 nan 0.000 0.455 134 W N -0.845 120.509 121.300 0.090 0.000 2.392 134 W HA -0.189 4.471 4.660 0.000 0.000 0.279 134 W C 2.242 178.747 176.519 -0.023 0.000 1.225 134 W CA 0.861 58.229 57.345 0.038 0.000 1.233 134 W CB -1.031 28.503 29.460 0.124 0.000 1.122 134 W HN 0.334 nan 8.180 nan 0.000 0.561 135 F N 3.033 122.564 119.950 -0.699 0.000 2.094 135 F HA -0.069 4.459 4.527 0.000 0.000 0.291 135 F C 2.606 178.225 175.800 -0.302 0.000 1.109 135 F CA 2.783 60.368 58.000 -0.693 0.000 1.221 135 F CB -0.750 37.569 39.000 -1.134 0.000 1.014 135 F HN -0.304 nan 8.300 nan 0.000 0.473 136 T N 0.639 115.257 114.554 0.107 0.000 2.833 136 T HA -0.157 4.193 4.350 -0.000 0.000 0.269 136 T C 1.429 176.129 174.700 0.001 0.000 1.054 136 T CA 1.478 63.627 62.100 0.081 0.000 1.135 136 T CB -0.345 68.552 68.868 0.048 0.000 0.869 136 T HN 0.166 nan 8.240 nan 0.000 0.466 137 N N 1.487 120.183 118.700 -0.007 0.000 2.461 137 N HA 0.054 4.794 4.740 -0.000 0.000 0.188 137 N C 0.543 176.030 175.510 -0.038 0.000 1.134 137 N CA 0.321 53.363 53.050 -0.012 0.000 0.878 137 N CB 0.077 38.569 38.487 0.009 0.000 0.972 137 N HN 0.220 nan 8.380 nan 0.000 0.456 138 N N 0.084 118.738 118.700 -0.077 0.000 2.598 138 N HA 0.212 4.952 4.740 -0.000 0.000 0.295 138 N C 0.637 176.037 175.510 -0.182 0.000 1.729 138 N CA -0.052 52.931 53.050 -0.110 0.000 0.877 138 N CB -0.011 38.413 38.487 -0.105 0.000 1.405 138 N HN -0.029 nan 8.380 nan 0.000 0.491 139 L N -0.587 120.531 121.223 -0.174 0.000 2.127 139 L HA -0.137 4.203 4.340 -0.000 0.000 0.211 139 L C 1.248 178.022 176.870 -0.160 0.000 1.089 139 L CA 1.048 55.759 54.840 -0.214 0.000 0.757 139 L CB -0.065 41.917 42.059 -0.129 0.000 0.899 139 L HN 0.236 nan 8.230 nan 0.000 0.434 140 D N -0.273 120.062 120.400 -0.108 0.000 2.117 140 D HA -0.152 4.488 4.640 -0.000 0.000 0.197 140 D C 2.287 178.542 176.300 -0.076 0.000 0.987 140 D CA 1.271 55.224 54.000 -0.079 0.000 0.829 140 D CB -0.071 40.693 40.800 -0.060 0.000 0.961 140 D HN 0.170 nan 8.370 nan 0.000 0.460 141 V N 0.907 120.770 119.914 -0.084 0.000 2.379 141 V HA -0.165 3.955 4.120 -0.000 0.000 0.245 141 V C 2.727 178.821 176.094 -0.001 0.000 1.044 141 V CA 0.809 63.086 62.300 -0.038 0.000 1.036 141 V CB -0.387 31.405 31.823 -0.051 0.000 0.664 141 V HN 0.025 nan 8.190 nan 0.000 0.453 142 V N -0.028 119.786 119.914 -0.166 0.000 2.332 142 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 142 V C 2.591 178.611 176.094 -0.122 0.000 1.055 142 V CA 2.368 64.502 62.300 -0.276 0.000 1.038 142 V CB -0.834 30.537 31.823 -0.754 0.000 0.651 142 V HN 0.548 nan 8.190 nan 0.000 0.450 143 S N 0.713 116.340 115.700 -0.121 0.000 2.383 143 S HA -0.212 4.258 4.470 -0.000 0.000 0.229 143 S C 2.219 176.804 174.600 -0.024 0.000 1.030 143 S CA 1.724 59.885 58.200 -0.065 0.000 1.002 143 S CB -0.399 62.764 63.200 -0.062 0.000 0.829 143 S HN 0.868 nan 8.310 nan 0.000 0.467 144 S N 0.158 115.849 115.700 -0.015 0.000 2.423 144 S HA -0.078 4.392 4.470 -0.000 0.000 0.231 144 S C 1.519 176.066 174.600 -0.090 0.000 1.014 144 S CA 0.781 58.944 58.200 -0.062 0.000 0.965 144 S CB -0.649 62.488 63.200 -0.106 0.000 0.785 144 S HN 0.568 nan 8.310 nan 0.000 0.495 145 Y N 1.724 121.956 120.300 -0.114 0.000 2.519 145 Y HA 0.197 4.747 4.550 0.000 0.000 0.287 145 Y C 2.057 177.884 175.900 -0.121 0.000 1.128 145 Y CA 0.629 58.653 58.100 -0.127 0.000 1.282 145 Y CB 0.261 38.617 38.460 -0.174 0.000 1.027 145 Y HN 0.388 nan 8.280 nan 0.000 0.551 146 V N -2.112 117.828 119.914 0.044 0.000 3.176 146 V HA 0.090 4.210 4.120 -0.000 0.000 0.332 146 V C 1.280 177.373 176.094 -0.000 0.000 1.414 146 V CA 0.161 62.467 62.300 0.010 0.000 1.133 146 V CB -0.251 31.581 31.823 0.016 0.000 1.088 146 V HN 0.397 nan 8.190 nan 0.000 0.473 147 Q N 0.503 120.295 119.800 -0.012 0.000 2.230 147 Q HA -0.052 4.288 4.340 -0.000 0.000 0.202 147 Q C 0.552 176.547 176.000 -0.008 0.000 0.963 147 Q CA 1.567 57.363 55.803 -0.013 0.000 0.866 147 Q CB -0.104 28.617 28.738 -0.028 0.000 0.931 147 Q HN 0.579 nan 8.270 nan 0.000 0.452 148 D N 1.329 121.720 120.400 -0.016 0.000 2.443 148 D HA 0.162 4.802 4.640 -0.000 0.000 0.221 148 D C -1.067 175.225 176.300 -0.014 0.000 1.097 148 D CA -0.185 53.806 54.000 -0.015 0.000 0.865 148 D CB 0.659 41.443 40.800 -0.028 0.000 1.034 148 D HN 0.195 nan 8.370 nan 0.000 0.511 149 Q N 1.434 121.239 119.800 0.008 0.000 2.351 149 Q HA 0.718 5.058 4.340 -0.000 0.000 0.273 149 Q C -1.015 174.975 176.000 -0.017 0.000 1.077 149 Q CA -1.172 54.627 55.803 -0.007 0.000 0.843 149 Q CB 2.378 31.132 28.738 0.028 0.000 1.367 149 Q HN 0.332 nan 8.270 nan 0.000 0.449 150 S N -0.559 115.054 115.700 -0.146 0.000 2.565 150 S HA 0.070 4.540 4.470 -0.000 0.000 0.274 150 S C -0.238 174.113 174.600 -0.415 0.000 1.144 150 S CA -0.554 57.511 58.200 -0.224 0.000 0.849 150 S CB 1.688 64.842 63.200 -0.077 0.000 1.103 150 S HN 0.817 nan 8.310 nan 0.000 0.455 151 E N 1.171 121.043 120.200 -0.547 0.000 2.208 151 E HA -0.092 4.258 4.350 -0.000 0.000 0.193 151 E C -0.017 176.448 176.600 -0.225 0.000 0.988 151 E CA 0.659 56.788 56.400 -0.451 0.000 0.828 151 E CB 0.097 29.585 29.700 -0.354 0.000 0.763 151 E HN 0.549 nan 8.360 nan 0.000 0.478 152 D N 0.247 120.567 120.400 -0.133 0.000 2.470 152 D HA -0.023 4.617 4.640 -0.000 0.000 0.226 152 D C -0.188 176.156 176.300 0.074 0.000 1.196 152 D CA -0.196 53.780 54.000 -0.039 0.000 0.979 152 D CB 0.087 40.897 40.800 0.016 0.000 1.059 152 D HN 0.227 nan 8.370 nan 0.000 0.515 153 c N 2.705 121.310 118.600 0.010 0.000 3.486 153 c HA 0.392 4.962 4.570 -0.000 0.000 0.264 153 c C 0.631 174.755 174.090 0.057 0.000 1.756 153 c CA -0.723 55.682 56.329 0.127 0.000 1.764 153 c CB -1.330 41.173 42.510 -0.010 0.000 3.238 153 c HN 0.432 nan 8.230 nan 0.000 0.524 154 L N 2.480 123.498 121.223 -0.342 0.000 2.387 154 L HA 0.407 4.747 4.340 -0.000 0.000 0.267 154 L C -0.928 175.331 176.870 -1.018 0.000 1.197 154 L CA 0.444 54.885 54.840 -0.664 0.000 1.070 154 L CB -0.688 40.826 42.059 -0.908 0.000 1.349 154 L HN 0.375 nan 8.230 nan 0.000 0.422 155 Y N 1.934 122.170 120.300 -0.107 0.000 2.545 155 Y HA 0.652 5.202 4.550 -0.000 0.000 0.348 155 Y C -0.087 175.946 175.900 0.221 0.000 1.002 155 Y CA -1.270 56.841 58.100 0.019 0.000 1.039 155 Y CB 2.010 40.460 38.460 -0.017 0.000 1.271 155 Y HN 0.196 nan 8.280 nan 0.000 0.467 156 L N -0.038 121.356 121.223 0.285 0.000 2.309 156 L HA 0.768 5.108 4.340 -0.000 0.000 0.261 156 L C -1.194 175.756 176.870 0.133 0.000 1.021 156 L CA -1.195 53.742 54.840 0.162 0.000 0.823 156 L CB 1.676 43.713 42.059 -0.037 0.000 1.366 156 L HN 0.448 nan 8.230 nan 0.000 0.423 157 N N 1.288 120.083 118.700 0.157 0.000 2.284 157 N HA 0.678 5.418 4.740 -0.000 0.000 0.300 157 N C -1.290 174.236 175.510 0.028 0.000 1.047 157 N CA -0.203 52.914 53.050 0.112 0.000 0.821 157 N CB 2.680 41.326 38.487 0.266 0.000 1.337 157 N HN 0.632 nan 8.380 nan 0.000 0.482 158 I N 1.828 122.337 120.570 -0.101 0.000 2.465 158 I HA 0.333 4.503 4.170 -0.000 0.000 0.291 158 I C -1.070 174.960 176.117 -0.145 0.000 1.014 158 I CA -0.779 60.494 61.300 -0.045 0.000 1.093 158 I CB 1.126 39.052 38.000 -0.124 0.000 1.267 158 I HN 0.325 nan 8.210 nan 0.000 0.431 159 Y N 5.146 125.567 120.300 0.201 0.000 2.345 159 Y HA 0.522 5.072 4.550 -0.000 0.000 0.331 159 Y C -0.235 175.784 175.900 0.199 0.000 0.959 159 Y CA -0.903 57.312 58.100 0.191 0.000 1.204 159 Y CB 1.732 40.285 38.460 0.155 0.000 1.135 159 Y HN 0.169 nan 8.280 nan 0.000 0.477 160 V N 5.947 126.060 119.914 0.332 0.000 2.417 160 V HA 0.435 4.555 4.120 -0.000 0.000 0.291 160 V C -2.349 173.883 176.094 0.229 0.000 1.024 160 V CA -2.577 59.901 62.300 0.297 0.000 0.861 160 V CB 1.731 33.790 31.823 0.394 0.000 0.985 160 V HN 0.533 nan 8.190 nan 0.000 0.436 161 P HA 0.260 nan 4.420 nan 0.000 0.272 161 P C 0.053 177.427 177.300 0.122 0.000 1.223 161 P CA 0.028 63.208 63.100 0.134 0.000 0.784 161 P CB 0.491 32.254 31.700 0.106 0.000 0.923 192 P HA 0.241 nan 4.420 nan 0.000 0.264 192 P C -0.342 176.974 177.300 0.028 0.000 1.183 192 P CA 0.296 63.410 63.100 0.023 0.000 0.763 192 P CB 0.425 32.129 31.700 0.007 0.000 0.807 193 K N 4.558 124.986 120.400 0.045 0.000 2.118 193 K HA 0.378 4.698 4.320 -0.000 0.000 0.267 193 K C -2.328 174.300 176.600 0.045 0.000 0.991 193 K CA -1.904 54.411 56.287 0.047 0.000 0.916 193 K CB 0.238 32.779 32.500 0.068 0.000 1.041 193 K HN 0.283 nan 8.250 nan 0.000 0.455 194 P HA -0.010 nan 4.420 nan 0.000 0.269 194 P C -0.964 176.368 177.300 0.054 0.000 1.215 194 P CA -0.219 62.898 63.100 0.028 0.000 0.780 194 P CB 0.561 32.266 31.700 0.009 0.000 0.898 195 V N 3.899 123.849 119.914 0.060 0.000 2.448 195 V HA 0.405 4.525 4.120 -0.000 0.000 0.295 195 V C 0.051 176.205 176.094 0.099 0.000 1.025 195 V CA -0.297 62.058 62.300 0.092 0.000 0.859 195 V CB 1.344 33.226 31.823 0.098 0.000 0.988 195 V HN 0.468 nan 8.190 nan 0.000 0.431 196 M N 4.873 124.553 119.600 0.132 0.000 2.114 196 M HA 0.504 4.984 4.480 -0.000 0.000 0.332 196 M C -1.036 175.508 176.300 0.406 0.000 1.014 196 M CA -0.621 54.775 55.300 0.160 0.000 0.956 196 M CB 1.953 34.511 32.600 -0.070 0.000 1.551 196 M HN 0.365 nan 8.290 nan 0.000 0.427 197 V N 4.106 124.260 119.914 0.400 0.000 2.333 197 V HA 0.220 4.340 4.120 -0.000 0.000 0.274 197 V C -0.828 175.426 176.094 0.266 0.000 1.028 197 V CA -0.652 61.824 62.300 0.293 0.000 0.851 197 V CB 0.518 32.391 31.823 0.084 0.000 1.000 197 V HN 0.605 nan 8.190 nan 0.000 0.456 198 Y N 6.082 126.368 120.300 -0.024 0.000 2.336 198 Y HA 0.555 5.105 4.550 -0.000 0.000 0.335 198 Y C 0.080 175.781 175.900 -0.331 0.000 1.046 198 Y CA -0.711 57.031 58.100 -0.597 0.000 1.198 198 Y CB 0.912 38.900 38.460 -0.787 0.000 1.182 198 Y HN 0.527 nan 8.280 nan 0.000 0.502 199 I N 7.762 127.647 120.570 -1.141 0.000 2.359 199 I HA 0.177 4.347 4.170 -0.000 0.000 0.284 199 I C -0.370 175.210 176.117 -0.896 0.000 1.018 199 I CA -0.829 60.041 61.300 -0.716 0.000 1.173 199 I CB 0.627 38.305 38.000 -0.537 0.000 1.326 199 I HN 0.733 nan 8.210 nan 0.000 0.462 200 H N 4.889 123.702 119.070 -0.427 0.000 2.544 200 H HA 0.820 5.376 4.556 -0.000 0.000 0.365 200 H C -0.017 175.329 175.328 0.030 0.000 1.268 200 H CA -0.500 55.430 56.048 -0.197 0.000 1.400 200 H CB 1.359 31.192 29.762 0.118 0.000 1.538 200 H HN 0.694 nan 8.280 nan 0.000 0.597 201 G N -0.838 107.970 108.800 0.012 0.000 2.050 201 G HA2 0.397 4.357 3.960 -0.000 0.000 0.274 201 G HA3 0.397 4.357 3.960 -0.000 0.000 0.274 201 G C 0.037 174.858 174.900 -0.132 0.000 1.733 201 G CA -0.227 44.807 45.100 -0.110 0.000 0.905 201 G HN 0.993 nan 8.290 nan 0.000 0.728 202 G N 0.241 108.918 108.800 -0.206 0.000 2.789 202 G HA2 0.418 4.378 3.960 -0.000 0.000 0.207 202 G HA3 0.418 4.378 3.960 -0.000 0.000 0.207 202 G C 1.298 175.950 174.900 -0.413 0.000 1.153 202 G CA 1.486 46.392 45.100 -0.323 0.000 0.847 202 G HN 1.872 nan 8.290 nan 0.000 0.615 203 S N -2.345 113.127 115.700 -0.380 0.000 2.960 203 S HA 0.284 4.754 4.470 -0.000 0.000 0.256 203 S C 0.609 175.086 174.600 -0.205 0.000 1.017 203 S CA 0.186 58.161 58.200 -0.376 0.000 1.144 203 S CB 0.268 63.326 63.200 -0.238 0.000 1.109 203 S HN 0.529 nan 8.310 nan 0.000 0.638 204 Y N 0.023 120.268 120.300 -0.092 0.000 4.884 204 Y HA -0.233 4.317 4.550 -0.000 0.000 0.276 204 Y C 1.381 177.342 175.900 0.102 0.000 0.915 204 Y CA 1.008 59.090 58.100 -0.030 0.000 1.768 204 Y CB -2.026 36.241 38.460 -0.321 0.000 1.172 204 Y HN 0.374 nan 8.280 nan 0.000 0.470 205 M N 0.116 119.817 119.600 0.169 0.000 2.492 205 M HA 0.194 4.674 4.480 -0.000 0.000 0.255 205 M C 0.873 177.239 176.300 0.111 0.000 1.139 205 M CA 1.049 56.444 55.300 0.158 0.000 1.096 205 M CB -0.043 32.627 32.600 0.116 0.000 1.360 205 M HN 0.387 nan 8.290 nan 0.000 0.480 206 E N 0.097 120.344 120.200 0.078 0.000 2.459 206 E HA 0.670 5.020 4.350 -0.000 0.000 0.275 206 E C -0.003 176.682 176.600 0.141 0.000 0.987 206 E CA -0.373 56.080 56.400 0.088 0.000 0.828 206 E CB 1.246 30.990 29.700 0.073 0.000 1.428 206 E HN 0.126 nan 8.360 nan 0.000 0.457 207 G N -0.653 108.235 108.800 0.146 0.000 2.566 207 G HA2 0.287 4.247 3.960 -0.000 0.000 0.599 207 G HA3 0.287 4.247 3.960 -0.000 0.000 0.599 207 G C -0.743 173.973 174.900 -0.306 0.000 1.292 207 G CA -0.037 45.095 45.100 0.053 0.000 0.922 207 G HN 1.177 nan 8.290 nan 0.000 0.514 208 T N -1.846 112.287 114.554 -0.702 0.000 2.977 208 T HA 0.630 4.980 4.350 -0.000 0.000 0.345 208 T C 1.296 175.783 174.700 -0.354 0.000 1.562 208 T CA 0.844 62.603 62.100 -0.568 0.000 1.090 208 T CB 0.878 69.614 68.868 -0.220 0.000 1.383 208 T HN 2.157 nan 8.240 nan 0.000 0.484 209 G N 2.275 111.050 108.800 -0.043 0.000 2.509 209 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.218 209 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.218 209 G C 1.137 176.173 174.900 0.226 0.000 1.124 209 G CA 0.481 45.755 45.100 0.289 0.000 0.776 209 G HN 0.731 nan 8.290 nan 0.000 0.547 210 N N 0.558 119.202 118.700 -0.092 0.000 2.364 210 N HA -0.040 4.700 4.740 -0.000 0.000 0.183 210 N C 1.948 177.301 175.510 -0.261 0.000 1.022 210 N CA 0.426 53.189 53.050 -0.479 0.000 0.883 210 N CB -0.235 37.609 38.487 -1.072 0.000 0.965 210 N HN 0.323 nan 8.380 nan 0.000 0.438 211 L N -0.641 120.412 121.223 -0.284 0.000 2.376 211 L HA -0.047 4.293 4.340 -0.000 0.000 0.219 211 L C -0.167 176.298 176.870 -0.675 0.000 1.133 211 L CA 0.613 55.034 54.840 -0.698 0.000 0.816 211 L CB -0.169 41.448 42.059 -0.738 0.000 0.933 211 L HN 0.123 nan 8.230 nan 0.000 0.449 212 Y N -0.501 119.717 120.300 -0.136 0.000 2.491 212 Y HA 0.208 4.758 4.550 -0.000 0.000 0.334 212 Y C 0.038 175.856 175.900 -0.137 0.000 0.969 212 Y CA -1.323 56.665 58.100 -0.186 0.000 1.241 212 Y CB 0.351 38.625 38.460 -0.310 0.000 1.105 212 Y HN -0.138 nan 8.280 nan 0.000 0.503 213 D N 2.653 123.013 120.400 -0.065 0.000 2.338 213 D HA 0.074 4.714 4.640 -0.000 0.000 0.255 213 D C 0.999 177.037 176.300 -0.436 0.000 1.237 213 D CA 0.239 54.142 54.000 -0.161 0.000 0.883 213 D CB 1.476 42.243 40.800 -0.055 0.000 1.087 213 D HN 0.881 nan 8.370 nan 0.000 0.485 214 G N 2.514 110.706 108.800 -1.013 0.000 3.088 214 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.212 214 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.212 214 G C 1.460 176.019 174.900 -0.569 0.000 1.173 214 G CA -0.107 44.547 45.100 -0.743 0.000 0.779 214 G HN 0.446 nan 8.290 nan 0.000 0.540 215 S N 0.218 115.595 115.700 -0.538 0.000 2.353 215 S HA -0.160 4.310 4.470 -0.000 0.000 0.222 215 S C 2.529 177.106 174.600 -0.039 0.000 1.035 215 S CA 1.370 59.512 58.200 -0.096 0.000 1.025 215 S CB -0.221 62.987 63.200 0.015 0.000 0.902 215 S HN 0.219 nan 8.310 nan 0.000 0.440 216 V N 1.798 121.657 119.914 -0.091 0.000 2.307 216 V HA -0.117 4.003 4.120 -0.000 0.000 0.245 216 V C 2.259 178.343 176.094 -0.017 0.000 1.045 216 V CA 1.504 63.765 62.300 -0.064 0.000 1.024 216 V CB -0.710 31.026 31.823 -0.145 0.000 0.651 216 V HN 0.349 nan 8.190 nan 0.000 0.449 217 L N 0.902 122.094 121.223 -0.052 0.000 2.042 217 L HA -0.118 4.222 4.340 -0.000 0.000 0.210 217 L C 2.411 179.332 176.870 0.086 0.000 1.076 217 L CA 2.398 57.247 54.840 0.015 0.000 0.749 217 L CB -0.961 41.099 42.059 0.001 0.000 0.893 217 L HN 0.229 nan 8.230 nan 0.000 0.432 218 A N -1.701 121.164 122.820 0.076 0.000 1.855 218 A HA -0.208 4.112 4.320 -0.000 0.000 0.215 218 A C 2.517 180.164 177.584 0.106 0.000 1.191 218 A CA 1.919 54.026 52.037 0.117 0.000 0.613 218 A CB -1.216 17.889 19.000 0.174 0.000 0.829 218 A HN 0.515 nan 8.150 nan 0.000 0.442 219 S N -2.019 113.741 115.700 0.099 0.000 2.356 219 S HA -0.198 4.272 4.470 -0.000 0.000 0.223 219 S C 1.935 176.583 174.600 0.081 0.000 1.032 219 S CA 1.722 59.973 58.200 0.085 0.000 1.005 219 S CB -0.548 62.697 63.200 0.075 0.000 0.867 219 S HN 0.639 nan 8.310 nan 0.000 0.449 220 Y N 1.441 121.727 120.300 -0.024 0.000 2.163 220 Y HA 0.100 4.650 4.550 -0.000 0.000 0.288 220 Y C 2.285 178.170 175.900 -0.026 0.000 1.136 220 Y CA 1.748 59.823 58.100 -0.042 0.000 1.147 220 Y CB -0.832 37.580 38.460 -0.081 0.000 0.987 220 Y HN 0.307 nan 8.280 nan 0.000 0.509 221 G N -0.798 108.047 108.800 0.074 0.000 2.777 221 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.211 221 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.211 221 G C 0.214 175.100 174.900 -0.024 0.000 1.149 221 G CA 0.462 45.558 45.100 -0.006 0.000 0.785 221 G HN 0.495 nan 8.290 nan 0.000 0.536 222 N N -1.045 117.655 118.700 0.001 0.000 2.756 222 N HA -0.181 4.559 4.740 -0.000 0.000 0.248 222 N C -0.219 175.317 175.510 0.043 0.000 1.062 222 N CA 0.874 53.935 53.050 0.018 0.000 0.696 222 N CB -1.503 36.976 38.487 -0.012 0.000 0.946 222 N HN 0.752 nan 8.380 nan 0.000 0.548 223 V N -2.160 117.795 119.914 0.069 0.000 3.102 223 V HA 0.713 4.833 4.120 -0.000 0.000 0.312 223 V C 0.656 176.822 176.094 0.120 0.000 1.135 223 V CA -1.197 61.151 62.300 0.080 0.000 1.022 223 V CB 2.083 33.945 31.823 0.066 0.000 1.056 223 V HN 0.100 nan 8.190 nan 0.000 0.436 224 I N 1.980 122.629 120.570 0.132 0.000 2.365 224 I HA 0.525 4.695 4.170 -0.000 0.000 0.291 224 I C -0.555 175.682 176.117 0.200 0.000 1.004 224 I CA -0.660 60.745 61.300 0.175 0.000 1.311 224 I CB 1.772 39.867 38.000 0.158 0.000 1.401 224 I HN 0.449 nan 8.210 nan 0.000 0.491 225 V N 7.658 127.738 119.914 0.275 0.000 2.555 225 V HA 0.503 4.623 4.120 -0.000 0.000 0.302 225 V C -0.091 176.254 176.094 0.417 0.000 1.038 225 V CA -0.521 61.979 62.300 0.334 0.000 0.887 225 V CB 2.027 34.026 31.823 0.293 0.000 0.991 225 V HN 0.469 nan 8.190 nan 0.000 0.434 226 I N 3.711 124.502 120.570 0.368 0.000 2.545 226 I HA 0.552 4.722 4.170 -0.000 0.000 0.292 226 I C -0.003 176.304 176.117 0.317 0.000 1.040 226 I CA -0.364 61.122 61.300 0.310 0.000 1.068 226 I CB 2.606 40.716 38.000 0.183 0.000 1.251 226 I HN 0.737 nan 8.210 nan 0.000 0.424 227 T N 2.944 117.700 114.554 0.336 0.000 2.856 227 T HA 0.797 5.147 4.350 -0.000 0.000 0.283 227 T C -0.584 174.255 174.700 0.232 0.000 1.008 227 T CA -0.708 61.579 62.100 0.311 0.000 0.997 227 T CB 1.940 71.046 68.868 0.397 0.000 0.992 227 T HN 0.212 nan 8.240 nan 0.000 0.454 228 V N 2.677 122.716 119.914 0.209 0.000 2.769 228 V HA 0.543 4.663 4.120 -0.000 0.000 0.312 228 V C -0.479 175.812 176.094 0.328 0.000 1.061 228 V CA -1.110 61.305 62.300 0.192 0.000 0.931 228 V CB 2.060 33.910 31.823 0.045 0.000 1.010 228 V HN 0.930 nan 8.190 nan 0.000 0.433 229 N N 2.624 121.522 118.700 0.331 0.000 2.417 229 N HA 0.523 5.263 4.740 -0.000 0.000 0.274 229 N C -1.446 174.261 175.510 0.329 0.000 0.987 229 N CA -0.226 52.986 53.050 0.270 0.000 0.912 229 N CB 2.193 40.795 38.487 0.191 0.000 1.177 229 N HN 0.774 nan 8.380 nan 0.000 0.490 230 Y N -0.810 119.623 120.300 0.221 0.000 2.570 230 Y HA 0.551 5.100 4.550 -0.000 0.000 0.345 230 Y C 0.317 176.276 175.900 0.098 0.000 1.014 230 Y CA -1.377 56.816 58.100 0.154 0.000 1.063 230 Y CB 0.780 39.300 38.460 0.101 0.000 1.272 230 Y HN 0.157 nan 8.280 nan 0.000 0.477 231 R N 2.014 122.581 120.500 0.112 0.000 2.585 231 R HA 0.269 4.609 4.340 -0.000 0.000 0.275 231 R C -0.895 175.415 176.300 0.017 0.000 1.018 231 R CA 0.214 56.303 56.100 -0.018 0.000 1.072 231 R CB 0.128 30.389 30.300 -0.064 0.000 0.953 231 R HN 0.682 nan 8.270 nan 0.000 0.419 232 L N 1.663 122.898 121.223 0.020 0.000 2.313 232 L HA 0.458 4.798 4.340 -0.000 0.000 0.268 232 L C 1.411 178.427 176.870 0.242 0.000 1.010 232 L CA -0.426 54.530 54.840 0.193 0.000 0.814 232 L CB 1.518 43.631 42.059 0.090 0.000 1.304 232 L HN 0.902 nan 8.230 nan 0.000 0.441 233 G N 0.590 109.637 108.800 0.410 0.000 2.652 233 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.318 233 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.318 233 G C 0.941 175.956 174.900 0.191 0.000 1.295 233 G CA 0.481 45.768 45.100 0.312 0.000 0.999 233 G HN 0.439 nan 8.290 nan 0.000 0.548 234 V N 0.967 120.788 119.914 -0.156 0.000 2.255 234 V HA -0.183 3.937 4.120 -0.000 0.000 0.247 234 V C 2.997 179.153 176.094 0.105 0.000 1.051 234 V CA 2.680 64.777 62.300 -0.339 0.000 1.018 234 V CB -0.793 30.794 31.823 -0.392 0.000 0.641 234 V HN 0.499 nan 8.190 nan 0.000 0.445 235 L N 0.280 121.551 121.223 0.081 0.000 2.191 235 L HA -0.074 4.266 4.340 -0.000 0.000 0.212 235 L C 2.376 179.283 176.870 0.061 0.000 1.103 235 L CA 1.582 56.442 54.840 0.033 0.000 0.769 235 L CB -0.816 41.163 42.059 -0.132 0.000 0.908 235 L HN 0.504 nan 8.230 nan 0.000 0.438 236 G N -1.795 107.016 108.800 0.018 0.000 2.796 236 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.210 236 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.210 236 G C 0.836 175.347 174.900 -0.648 0.000 1.146 236 G CA 0.011 44.940 45.100 -0.286 0.000 0.779 236 G HN 0.318 nan 8.290 nan 0.000 0.535 237 F N -0.678 119.445 119.950 0.288 0.000 2.915 237 F HA 0.414 4.941 4.527 0.000 0.000 0.347 237 F C 0.458 176.399 175.800 0.236 0.000 1.104 237 F CA -1.014 57.092 58.000 0.176 0.000 1.126 237 F CB 0.255 39.307 39.000 0.087 0.000 1.145 237 F HN -0.092 nan 8.300 nan 0.000 0.541 238 L N 1.420 122.887 121.223 0.407 0.000 2.525 238 L HA 0.333 4.673 4.340 -0.000 0.000 0.278 238 L C 0.307 177.291 176.870 0.189 0.000 1.218 238 L CA 0.612 55.633 54.840 0.302 0.000 0.878 238 L CB 0.662 42.711 42.059 -0.018 0.000 1.127 238 L HN 0.128 nan 8.230 nan 0.000 0.492 239 S N 1.496 117.288 115.700 0.154 0.000 2.548 239 S HA 0.392 4.862 4.470 -0.000 0.000 0.276 239 S C 0.419 175.045 174.600 0.044 0.000 1.129 239 S CA -0.098 58.140 58.200 0.064 0.000 0.931 239 S CB 1.622 64.842 63.200 0.033 0.000 1.068 239 S HN 0.791 nan 8.310 nan 0.000 0.480 240 T N 0.823 115.384 114.554 0.013 0.000 3.107 240 T HA 0.376 4.726 4.350 -0.000 0.000 0.249 240 T C 1.490 176.195 174.700 0.009 0.000 1.096 240 T CA 0.577 62.681 62.100 0.007 0.000 1.012 240 T CB -0.150 68.715 68.868 -0.006 0.000 0.977 240 T HN 1.786 nan 8.240 nan 0.000 0.527 241 G N 2.107 110.913 108.800 0.010 0.000 2.184 241 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.264 241 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.264 241 G C -0.196 174.710 174.900 0.009 0.000 0.975 241 G CA 0.503 45.607 45.100 0.007 0.000 0.642 241 G HN 0.901 nan 8.290 nan 0.000 0.536 242 D N -3.016 117.392 120.400 0.013 0.000 3.076 242 D HA 0.484 5.124 4.640 -0.000 0.000 0.301 242 D C 1.095 177.411 176.300 0.026 0.000 1.260 242 D CA -0.429 53.581 54.000 0.018 0.000 1.027 242 D CB -0.280 40.529 40.800 0.016 0.000 1.370 242 D HN -0.129 nan 8.370 nan 0.000 0.602 243 Q N -0.618 119.201 119.800 0.031 0.000 2.378 243 Q HA 0.173 4.513 4.340 -0.000 0.000 0.205 243 Q C 1.845 177.875 176.000 0.051 0.000 0.954 243 Q CA 1.112 56.941 55.803 0.043 0.000 0.901 243 Q CB -0.301 28.462 28.738 0.042 0.000 0.981 243 Q HN 0.606 nan 8.270 nan 0.000 0.483 244 A N 1.126 123.969 122.820 0.038 0.000 1.908 244 A HA 0.096 4.416 4.320 -0.000 0.000 0.218 244 A C 1.107 178.721 177.584 0.050 0.000 1.181 244 A CA 1.557 53.615 52.037 0.035 0.000 0.627 244 A CB -0.033 18.976 19.000 0.014 0.000 0.818 244 A HN 0.246 nan 8.150 nan 0.000 0.445 245 A N -1.209 121.643 122.820 0.053 0.000 2.611 245 A HA 0.562 4.882 4.320 -0.000 0.000 0.282 245 A C 0.272 177.915 177.584 0.098 0.000 1.114 245 A CA -0.468 51.636 52.037 0.112 0.000 0.800 245 A CB 0.710 19.697 19.000 -0.021 0.000 1.325 245 A HN 0.236 nan 8.150 nan 0.000 0.411 246 K N 1.407 121.871 120.400 0.107 0.000 2.432 246 K HA 0.287 4.607 4.320 -0.000 0.000 0.196 246 K C 1.189 177.687 176.600 -0.170 0.000 1.038 246 K CA 0.792 57.070 56.287 -0.014 0.000 0.986 246 K CB 0.058 32.558 32.500 0.001 0.000 0.782 246 K HN 1.506 nan 8.250 nan 0.000 0.485 247 G N 1.756 110.334 108.800 -0.371 0.000 2.681 247 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.220 247 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.220 247 G C -0.325 174.007 174.900 -0.946 0.000 1.353 247 G CA -0.332 44.394 45.100 -0.623 0.000 0.872 247 G HN 0.270 nan 8.290 nan 0.000 0.557 248 N N -1.821 116.570 118.700 -0.514 0.000 2.714 248 N HA -0.226 4.514 4.740 -0.000 0.000 0.250 248 N C 0.962 176.178 175.510 -0.490 0.000 1.117 248 N CA 1.891 54.729 53.050 -0.353 0.000 0.719 248 N CB -1.344 36.986 38.487 -0.261 0.000 1.081 248 N HN 0.676 nan 8.380 nan 0.000 0.557 249 Y N -0.118 120.031 120.300 -0.252 0.000 2.181 249 Y HA -0.060 4.490 4.550 -0.000 0.000 0.288 249 Y C 2.602 178.336 175.900 -0.278 0.000 1.146 249 Y CA 1.520 59.486 58.100 -0.224 0.000 1.164 249 Y CB -0.743 37.617 38.460 -0.166 0.000 0.982 249 Y HN 0.248 nan 8.280 nan 0.000 0.515 250 G N -0.000 108.526 108.800 -0.456 0.000 2.422 250 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.218 250 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.218 250 G C 1.662 176.513 174.900 -0.081 0.000 1.146 250 G CA 0.977 45.936 45.100 -0.234 0.000 0.769 250 G HN 0.373 nan 8.290 nan 0.000 0.547 251 L N -0.252 120.910 121.223 -0.101 0.000 2.109 251 L HA 0.102 4.442 4.340 -0.000 0.000 0.207 251 L C 2.814 179.613 176.870 -0.119 0.000 1.086 251 L CA 0.333 55.111 54.840 -0.103 0.000 0.760 251 L CB -0.319 41.694 42.059 -0.077 0.000 0.910 251 L HN 0.178 nan 8.230 nan 0.000 0.437 252 L N -0.448 120.697 121.223 -0.130 0.000 2.141 252 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 252 L C 2.135 179.009 176.870 0.007 0.000 1.094 252 L CA 0.837 55.613 54.840 -0.107 0.000 0.763 252 L CB -0.527 41.464 42.059 -0.114 0.000 0.908 252 L HN 0.282 nan 8.230 nan 0.000 0.437 253 D N 0.211 120.640 120.400 0.049 0.000 2.117 253 D HA -0.139 4.501 4.640 -0.000 0.000 0.198 253 D C 2.398 178.779 176.300 0.135 0.000 0.982 253 D CA 1.114 55.221 54.000 0.178 0.000 0.828 253 D CB -0.127 40.816 40.800 0.239 0.000 0.967 253 D HN 0.266 nan 8.370 nan 0.000 0.464 254 L N 0.507 121.726 121.223 -0.007 0.000 2.046 254 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 254 L C 2.524 179.337 176.870 -0.094 0.000 1.077 254 L CA 0.738 55.502 54.840 -0.126 0.000 0.747 254 L CB -0.301 41.613 42.059 -0.242 0.000 0.896 254 L HN 0.012 nan 8.230 nan 0.000 0.432 255 I N -0.550 120.003 120.570 -0.030 0.000 2.226 255 I HA -0.292 3.878 4.170 -0.000 0.000 0.245 255 I C 2.674 178.845 176.117 0.089 0.000 1.100 255 I CA 1.041 62.365 61.300 0.042 0.000 1.374 255 I CB -0.200 37.843 38.000 0.072 0.000 1.057 255 I HN 0.309 nan 8.210 nan 0.000 0.413 256 Q N 1.494 121.364 119.800 0.116 0.000 2.119 256 Q HA -0.146 4.194 4.340 -0.000 0.000 0.201 256 Q C 2.113 178.221 176.000 0.180 0.000 0.972 256 Q CA 2.150 58.075 55.803 0.203 0.000 0.847 256 Q CB -0.284 28.616 28.738 0.270 0.000 0.903 256 Q HN 0.476 nan 8.270 nan 0.000 0.433 257 A N 0.112 122.866 122.820 -0.110 0.000 1.930 257 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 257 A C 2.099 179.651 177.584 -0.053 0.000 1.175 257 A CA 1.319 53.070 52.037 -0.476 0.000 0.627 257 A CB -0.671 17.756 19.000 -0.955 0.000 0.815 257 A HN 0.451 nan 8.150 nan 0.000 0.443 258 L N -1.124 120.091 121.223 -0.013 0.000 2.093 258 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 258 L C 2.853 179.818 176.870 0.158 0.000 1.085 258 L CA 1.192 56.072 54.840 0.067 0.000 0.755 258 L CB -0.436 41.650 42.059 0.045 0.000 0.904 258 L HN 0.353 nan 8.230 nan 0.000 0.435 259 R N -1.087 119.523 120.500 0.184 0.000 2.075 259 R HA -0.210 4.130 4.340 -0.000 0.000 0.232 259 R C 2.100 178.541 176.300 0.234 0.000 1.126 259 R CA 1.832 58.050 56.100 0.197 0.000 0.963 259 R CB -0.515 29.908 30.300 0.205 0.000 0.858 259 R HN 0.387 nan 8.270 nan 0.000 0.435 260 W N 1.731 123.110 121.300 0.132 0.000 2.338 260 W HA -0.189 4.471 4.660 -0.000 0.000 0.304 260 W C 1.940 178.552 176.519 0.156 0.000 1.212 260 W CA 1.902 59.362 57.345 0.192 0.000 1.264 260 W CB -0.269 29.306 29.460 0.193 0.000 1.142 260 W HN -0.070 nan 8.180 nan 0.000 0.512 261 T N -0.666 114.155 114.554 0.444 0.000 2.708 261 T HA -0.269 4.081 4.350 -0.000 0.000 0.266 261 T C 1.961 176.695 174.700 0.058 0.000 1.037 261 T CA 1.866 64.133 62.100 0.279 0.000 1.146 261 T CB -0.928 68.085 68.868 0.241 0.000 0.865 261 T HN 0.224 nan 8.240 nan 0.000 0.435 262 S N 0.847 116.590 115.700 0.071 0.000 2.370 262 S HA -0.159 4.311 4.470 -0.000 0.000 0.226 262 S C 1.961 176.518 174.600 -0.070 0.000 1.033 262 S CA 1.463 59.676 58.200 0.022 0.000 1.011 262 S CB -0.278 62.961 63.200 0.064 0.000 0.852 262 S HN 0.594 nan 8.310 nan 0.000 0.457 263 E N 0.038 120.178 120.200 -0.100 0.000 2.299 263 E HA 0.103 4.453 4.350 -0.000 0.000 0.193 263 E C 1.379 177.788 176.600 -0.319 0.000 0.998 263 E CA 0.476 56.772 56.400 -0.174 0.000 0.851 263 E CB 0.065 29.706 29.700 -0.100 0.000 0.795 263 E HN 0.541 nan 8.360 nan 0.000 0.492 264 N N 0.054 118.511 118.700 -0.405 0.000 2.257 264 N HA 0.032 4.772 4.740 -0.000 0.000 0.200 264 N C 1.405 176.844 175.510 -0.119 0.000 1.163 264 N CA 0.056 52.890 53.050 -0.359 0.000 0.891 264 N CB 0.608 38.618 38.487 -0.796 0.000 1.067 264 N HN 0.044 nan 8.380 nan 0.000 0.497 265 I N 2.039 122.550 120.570 -0.098 0.000 2.567 265 I HA -0.039 4.131 4.170 -0.000 0.000 0.257 265 I C 2.119 178.297 176.117 0.102 0.000 1.184 265 I CA 0.836 62.203 61.300 0.112 0.000 1.451 265 I CB -0.509 37.529 38.000 0.064 0.000 1.089 265 I HN 0.050 nan 8.210 nan 0.000 0.441 266 G N -0.350 108.351 108.800 -0.164 0.000 2.448 266 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.219 266 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.219 266 G C 1.362 176.178 174.900 -0.141 0.000 1.127 266 G CA 0.465 45.444 45.100 -0.202 0.000 0.766 266 G HN 0.378 nan 8.290 nan 0.000 0.552 267 F N -0.212 119.737 119.950 -0.002 0.000 2.451 267 F HA 0.230 4.757 4.527 -0.000 0.000 0.299 267 F C 1.610 177.244 175.800 -0.277 0.000 1.101 267 F CA -0.011 57.889 58.000 -0.166 0.000 1.436 267 F CB -0.366 38.460 39.000 -0.291 0.000 1.074 267 F HN 0.111 nan 8.300 nan 0.000 0.553 268 F N -0.827 119.174 119.950 0.085 0.000 2.695 268 F HA 0.398 4.925 4.527 0.000 0.000 0.303 268 F C 1.775 177.614 175.800 0.066 0.000 1.091 268 F CA 0.445 58.471 58.000 0.043 0.000 1.300 268 F CB 0.117 39.116 39.000 -0.003 0.000 1.071 268 F HN 0.007 nan 8.300 nan 0.000 0.578 269 G N 0.467 109.379 108.800 0.185 0.000 2.141 269 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.231 269 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.231 269 G C 0.499 175.465 174.900 0.110 0.000 0.984 269 G CA -0.323 44.852 45.100 0.125 0.000 0.660 269 G HN 0.687 nan 8.290 nan 0.000 0.525 270 G N -0.652 108.218 108.800 0.118 0.000 2.451 270 G HA2 0.500 4.460 3.960 -0.000 0.000 0.303 270 G HA3 0.500 4.460 3.960 -0.000 0.000 0.303 270 G C -0.852 174.068 174.900 0.033 0.000 1.166 270 G CA 0.131 45.281 45.100 0.084 0.000 0.884 270 G HN 0.199 nan 8.290 nan 0.000 0.514 271 D N 0.977 121.395 120.400 0.029 0.000 2.412 271 D HA 0.286 4.926 4.640 -0.000 0.000 0.224 271 D C -1.173 175.133 176.300 0.009 0.000 1.093 271 D CA -2.329 51.676 54.000 0.008 0.000 0.850 271 D CB 1.954 42.760 40.800 0.009 0.000 1.046 271 D HN 0.063 nan 8.370 nan 0.000 0.507 272 P HA -0.048 nan 4.420 nan 0.000 0.234 272 P C 1.213 178.524 177.300 0.017 0.000 1.167 272 P CA 0.397 63.499 63.100 0.002 0.000 0.763 272 P CB 0.475 32.155 31.700 -0.035 0.000 0.835 273 L N -1.098 120.128 121.223 0.004 0.000 2.592 273 L HA 0.149 4.489 4.340 -0.000 0.000 0.227 273 L C 1.316 178.190 176.870 0.007 0.000 1.127 273 L CA 0.289 55.131 54.840 0.003 0.000 0.884 273 L CB -0.084 41.967 42.059 -0.012 0.000 1.065 273 L HN -0.175 nan 8.230 nan 0.000 0.457 274 R N 0.725 121.234 120.500 0.015 0.000 2.681 274 R HA 0.430 4.770 4.340 -0.000 0.000 0.277 274 R C -0.840 175.481 176.300 0.035 0.000 1.563 274 R CA -0.137 55.967 56.100 0.007 0.000 1.673 274 R CB 0.999 31.290 30.300 -0.014 0.000 1.258 274 R HN 0.102 nan 8.270 nan 0.000 0.650 275 I N 1.105 121.724 120.570 0.081 0.000 2.339 275 I HA 0.268 4.438 4.170 -0.000 0.000 0.290 275 I C 0.042 176.250 176.117 0.152 0.000 0.994 275 I CA -0.368 61.005 61.300 0.121 0.000 1.191 275 I CB 2.143 40.244 38.000 0.169 0.000 1.343 275 I HN 0.094 nan 8.210 nan 0.000 0.458 276 T N 5.757 120.374 114.554 0.106 0.000 2.792 276 T HA 0.438 4.788 4.350 -0.000 0.000 0.280 276 T C -0.198 174.580 174.700 0.130 0.000 0.990 276 T CA -0.426 61.742 62.100 0.113 0.000 0.960 276 T CB 1.892 70.782 68.868 0.038 0.000 0.939 276 T HN 0.141 nan 8.240 nan 0.000 0.439 277 V N 5.499 125.462 119.914 0.082 0.000 2.472 277 V HA 0.728 4.848 4.120 -0.000 0.000 0.290 277 V C -0.398 175.821 176.094 0.209 0.000 1.037 277 V CA -0.729 61.581 62.300 0.018 0.000 0.908 277 V CB 0.579 32.157 31.823 -0.409 0.000 0.985 277 V HN 0.876 nan 8.190 nan 0.000 0.454 278 F N 1.652 121.553 119.950 -0.080 0.000 2.613 278 F HA 1.001 5.528 4.527 -0.000 0.000 0.310 278 F C -0.074 175.596 175.800 -0.217 0.000 1.085 278 F CA -0.662 57.322 58.000 -0.026 0.000 0.945 278 F CB 2.344 41.449 39.000 0.175 0.000 1.298 278 F HN 0.749 nan 8.300 nan 0.000 0.455 279 G N 0.555 109.237 108.800 -0.196 0.000 2.632 279 G HA2 0.467 4.427 3.960 -0.000 0.000 0.292 279 G HA3 0.467 4.427 3.960 -0.000 0.000 0.292 279 G C -2.342 172.504 174.900 -0.089 0.000 1.465 279 G CA -0.794 43.976 45.100 -0.551 0.000 0.824 279 G HN 0.842 nan 8.290 nan 0.000 0.509 280 S N -0.604 115.086 115.700 -0.016 0.000 2.532 280 S HA 0.802 5.272 4.470 -0.000 0.000 0.301 280 S C 1.026 175.683 174.600 0.095 0.000 1.083 280 S CA 1.325 59.602 58.200 0.128 0.000 1.025 280 S CB 0.986 64.316 63.200 0.215 0.000 1.056 280 S HN 2.664 nan 8.310 nan 0.000 0.494 281 G N 3.026 111.954 108.800 0.213 0.000 2.574 281 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.286 281 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.286 281 G C 1.110 176.025 174.900 0.025 0.000 1.212 281 G CA 0.377 45.654 45.100 0.294 0.000 0.979 281 G HN 1.756 nan 8.290 nan 0.000 0.557 282 A N -0.111 122.603 122.820 -0.176 0.000 2.076 282 A HA 0.259 4.579 4.320 -0.000 0.000 0.220 282 A C 2.834 180.228 177.584 -0.316 0.000 1.160 282 A CA 2.503 54.272 52.037 -0.448 0.000 0.653 282 A CB -1.022 17.430 19.000 -0.913 0.000 0.801 282 A HN 2.182 nan 8.150 nan 0.000 0.455 283 G N -0.493 108.170 108.800 -0.228 0.000 2.408 283 G HA2 0.055 4.015 3.960 -0.000 0.000 0.217 283 G HA3 0.055 4.015 3.960 -0.000 0.000 0.217 283 G C 1.464 176.229 174.900 -0.225 0.000 1.150 283 G CA 1.104 46.035 45.100 -0.281 0.000 0.776 283 G HN 0.648 nan 8.290 nan 0.000 0.542 284 G N 0.559 109.290 108.800 -0.115 0.000 2.422 284 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.218 284 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.218 284 G C 2.076 176.949 174.900 -0.045 0.000 1.140 284 G CA 1.317 46.386 45.100 -0.050 0.000 0.775 284 G HN 0.405 nan 8.290 nan 0.000 0.545 285 S N -0.212 115.465 115.700 -0.039 0.000 2.368 285 S HA -0.160 4.310 4.470 -0.000 0.000 0.225 285 S C 2.449 177.045 174.600 -0.007 0.000 1.030 285 S CA 1.155 59.357 58.200 0.004 0.000 0.999 285 S CB -0.479 62.750 63.200 0.048 0.000 0.844 285 S HN 0.519 nan 8.310 nan 0.000 0.459 286 C N 1.025 120.296 119.300 -0.048 0.000 2.432 286 C HA -0.024 4.436 4.460 -0.000 0.000 0.277 286 C C 2.663 177.571 174.990 -0.137 0.000 1.249 286 C CA 0.424 59.385 59.018 -0.095 0.000 1.725 286 C CB -1.315 26.294 27.740 -0.218 0.000 2.028 286 C HN 0.406 nan 8.230 nan 0.000 0.477 287 V N 1.569 121.386 119.914 -0.161 0.000 2.287 287 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 287 V C 1.975 178.010 176.094 -0.097 0.000 1.053 287 V CA 2.563 64.764 62.300 -0.166 0.000 1.027 287 V CB -0.884 30.854 31.823 -0.142 0.000 0.646 287 V HN 0.591 nan 8.190 nan 0.000 0.447 288 N N -0.175 118.490 118.700 -0.057 0.000 2.142 288 N HA -0.090 4.650 4.740 -0.000 0.000 0.186 288 N C 1.763 177.272 175.510 -0.002 0.000 1.023 288 N CA 1.089 54.126 53.050 -0.022 0.000 0.852 288 N CB -0.246 38.239 38.487 -0.004 0.000 0.998 288 N HN 0.366 nan 8.380 nan 0.000 0.424 289 L N 0.513 121.729 121.223 -0.012 0.000 2.083 289 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 289 L C 1.939 178.821 176.870 0.019 0.000 1.083 289 L CA 0.837 55.676 54.840 -0.003 0.000 0.752 289 L CB -0.382 41.660 42.059 -0.029 0.000 0.899 289 L HN 0.252 nan 8.230 nan 0.000 0.433 290 L N -0.439 120.788 121.223 0.006 0.000 2.131 290 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 290 L C 2.719 179.704 176.870 0.191 0.000 1.092 290 L CA 1.769 56.652 54.840 0.072 0.000 0.759 290 L CB -0.929 41.126 42.059 -0.008 0.000 0.903 290 L HN 0.465 nan 8.230 nan 0.000 0.435 291 T N -2.784 111.847 114.554 0.129 0.000 3.072 291 T HA -0.051 4.299 4.350 -0.000 0.000 0.266 291 T C 1.507 176.361 174.700 0.257 0.000 1.127 291 T CA 0.649 62.824 62.100 0.125 0.000 1.107 291 T CB -0.183 68.667 68.868 -0.029 0.000 0.910 291 T HN 0.288 nan 8.240 nan 0.000 0.513 292 L N 0.702 122.033 121.223 0.180 0.000 2.640 292 L HA 0.358 4.698 4.340 -0.000 0.000 0.230 292 L C 1.128 178.095 176.870 0.162 0.000 1.123 292 L CA -0.313 54.637 54.840 0.183 0.000 0.900 292 L CB 0.249 42.382 42.059 0.123 0.000 1.146 292 L HN 0.174 nan 8.230 nan 0.000 0.484 293 S N -0.730 115.067 115.700 0.162 0.000 2.489 293 S HA 0.157 4.627 4.470 -0.000 0.000 0.291 293 S C 1.036 175.736 174.600 0.167 0.000 1.151 293 S CA -0.575 57.711 58.200 0.143 0.000 1.082 293 S CB 0.804 64.066 63.200 0.105 0.000 1.019 293 S HN 0.511 nan 8.310 nan 0.000 0.492 294 H N 3.612 122.788 119.070 0.176 0.000 2.521 294 H HA 0.047 4.603 4.556 -0.000 0.000 0.286 294 H C 0.799 176.158 175.328 0.053 0.000 1.034 294 H CA 1.457 57.551 56.048 0.076 0.000 1.278 294 H CB -0.473 29.285 29.762 -0.008 0.000 1.386 294 H HN 0.710 nan 8.280 nan 0.000 0.567 295 Y N 0.941 121.022 120.300 -0.365 0.000 2.497 295 Y HA 0.051 4.601 4.550 -0.000 0.000 0.292 295 Y C 1.113 177.036 175.900 0.039 0.000 1.137 295 Y CA 0.896 58.893 58.100 -0.170 0.000 1.285 295 Y CB 0.214 38.553 38.460 -0.201 0.000 0.991 295 Y HN 0.157 nan 8.280 nan 0.000 0.556 296 S N 2.223 118.058 115.700 0.225 0.000 4.087 296 S HA 0.025 4.495 4.470 -0.000 0.000 0.213 296 S C 0.348 175.046 174.600 0.164 0.000 1.415 296 S CA -0.674 57.683 58.200 0.262 0.000 0.893 296 S CB -0.734 62.682 63.200 0.360 0.000 1.529 296 S HN 0.311 nan 8.310 nan 0.000 0.457 307 G N 2.427 111.175 108.800 -0.085 0.000 2.234 307 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.235 307 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.235 307 G C 0.487 175.401 174.900 0.022 0.000 0.997 307 G CA 0.302 45.380 45.100 -0.036 0.000 0.623 307 G HN 0.494 nan 8.290 nan 0.000 0.514 308 L N 0.757 122.013 121.223 0.054 0.000 1.970 308 L HA 0.369 4.709 4.340 -0.000 0.000 0.212 308 L C 1.224 178.268 176.870 0.289 0.000 1.071 308 L CA 2.810 57.756 54.840 0.177 0.000 0.751 308 L CB -0.534 41.685 42.059 0.267 0.000 0.889 308 L HN 0.760 nan 8.230 nan 0.000 0.432 309 F N -4.268 115.778 119.950 0.158 0.000 2.629 309 F HA 0.625 5.152 4.527 -0.000 0.000 0.316 309 F C 0.538 176.477 175.800 0.232 0.000 1.081 309 F CA -0.875 57.217 58.000 0.153 0.000 0.954 309 F CB 1.000 40.071 39.000 0.118 0.000 1.337 309 F HN -0.248 nan 8.300 nan 0.000 0.474 310 Q N 0.090 120.067 119.800 0.296 0.000 2.353 310 Q HA 0.402 4.742 4.340 -0.000 0.000 0.240 310 Q C -0.482 175.677 176.000 0.264 0.000 0.868 310 Q CA 0.422 56.328 55.803 0.173 0.000 0.944 310 Q CB 0.739 29.506 28.738 0.049 0.000 1.104 310 Q HN 0.643 nan 8.270 nan 0.000 0.531 311 R N -0.647 120.039 120.500 0.310 0.000 2.808 311 R HA 0.887 5.227 4.340 -0.000 0.000 0.272 311 R C -1.383 175.103 176.300 0.310 0.000 0.995 311 R CA -0.925 55.306 56.100 0.219 0.000 0.917 311 R CB 1.924 32.139 30.300 -0.141 0.000 1.217 311 R HN -0.015 nan 8.270 nan 0.000 0.471 312 A N 1.872 124.864 122.820 0.286 0.000 2.455 312 A HA 0.693 5.013 4.320 -0.000 0.000 0.300 312 A C -1.031 176.627 177.584 0.123 0.000 1.040 312 A CA -0.703 51.432 52.037 0.163 0.000 0.697 312 A CB 1.211 20.224 19.000 0.023 0.000 1.265 312 A HN 0.627 nan 8.150 nan 0.000 0.407 313 I N 1.842 122.459 120.570 0.079 0.000 2.439 313 I HA 0.557 4.727 4.170 -0.000 0.000 0.285 313 I C 0.228 176.381 176.117 0.059 0.000 1.021 313 I CA -0.469 60.814 61.300 -0.028 0.000 1.091 313 I CB 2.029 39.984 38.000 -0.075 0.000 1.242 313 I HN 0.728 nan 8.210 nan 0.000 0.439 314 A N 6.372 129.198 122.820 0.009 0.000 2.293 314 A HA 0.577 4.897 4.320 -0.000 0.000 0.312 314 A C -0.546 177.092 177.584 0.089 0.000 1.309 314 A CA -0.517 51.542 52.037 0.035 0.000 0.839 314 A CB 0.509 19.501 19.000 -0.013 0.000 1.155 314 A HN 0.722 nan 8.150 nan 0.000 0.501 315 Q N 1.641 121.555 119.800 0.189 0.000 2.322 315 Q HA 0.450 4.790 4.340 -0.000 0.000 0.256 315 Q C 0.051 176.182 176.000 0.218 0.000 0.960 315 Q CA -0.394 55.572 55.803 0.271 0.000 0.934 315 Q CB 1.037 29.999 28.738 0.373 0.000 1.200 315 Q HN 0.809 nan 8.270 nan 0.000 0.435 316 S N 1.259 117.075 115.700 0.193 0.000 3.559 316 S HA -0.160 4.310 4.470 -0.000 0.000 0.369 316 S C -0.015 174.897 174.600 0.519 0.000 0.987 316 S CA 0.549 58.960 58.200 0.351 0.000 1.187 316 S CB -1.160 62.225 63.200 0.308 0.000 0.914 316 S HN 0.964 nan 8.310 nan 0.000 0.480 317 G N -0.043 108.939 108.800 0.303 0.000 2.717 317 G HA2 0.592 4.552 3.960 -0.000 0.000 0.300 317 G HA3 0.592 4.552 3.960 -0.000 0.000 0.300 317 G C -0.759 174.198 174.900 0.095 0.000 1.424 317 G CA 0.183 45.407 45.100 0.205 0.000 1.033 317 G HN 0.777 nan 8.290 nan 0.000 0.577 318 T N -1.435 113.154 114.554 0.057 0.000 2.804 318 T HA 0.736 5.086 4.350 -0.000 0.000 0.290 318 T C 0.892 175.604 174.700 0.020 0.000 1.099 318 T CA 0.214 62.329 62.100 0.025 0.000 1.011 318 T CB 1.816 70.689 68.868 0.009 0.000 1.291 318 T HN 1.563 nan 8.240 nan 0.000 0.523 319 A N -0.144 122.684 122.820 0.013 0.000 2.308 319 A HA 0.476 4.796 4.320 -0.000 0.000 0.217 319 A C 1.554 179.143 177.584 0.009 0.000 1.216 319 A CA -0.199 51.848 52.037 0.017 0.000 0.864 319 A CB -0.724 18.284 19.000 0.013 0.000 0.902 319 A HN 0.730 nan 8.150 nan 0.000 0.499 320 L N 0.268 121.480 121.223 -0.019 0.000 2.664 320 L HA 0.118 4.458 4.340 -0.000 0.000 0.233 320 L C 1.030 177.821 176.870 -0.131 0.000 1.113 320 L CA 0.134 54.947 54.840 -0.045 0.000 0.896 320 L CB 0.011 42.044 42.059 -0.043 0.000 1.163 320 L HN 0.408 nan 8.230 nan 0.000 0.497 321 S N -0.614 114.975 115.700 -0.184 0.000 2.600 321 S HA 0.056 4.526 4.470 -0.000 0.000 0.265 321 S C 1.454 175.824 174.600 -0.384 0.000 1.325 321 S CA -0.062 57.895 58.200 -0.406 0.000 1.002 321 S CB 1.356 64.232 63.200 -0.540 0.000 0.921 321 S HN 0.288 nan 8.310 nan 0.000 0.554 322 S N -0.099 115.218 115.700 -0.638 0.000 2.419 322 S HA -0.126 4.344 4.470 -0.000 0.000 0.233 322 S C 1.009 175.424 174.600 -0.309 0.000 1.016 322 S CA 0.917 58.795 58.200 -0.537 0.000 0.974 322 S CB -0.826 61.872 63.200 -0.837 0.000 0.786 322 S HN 1.012 nan 8.310 nan 0.000 0.492 323 W N 0.568 121.732 121.300 -0.226 0.000 3.102 323 W HA 0.845 5.505 4.660 0.000 0.000 0.401 323 W C 1.391 177.890 176.519 -0.034 0.000 1.070 323 W CA -1.293 55.976 57.345 -0.127 0.000 1.921 323 W CB -0.787 28.582 29.460 -0.151 0.000 1.118 323 W HN 0.238 nan 8.180 nan 0.000 0.647 324 A N 0.323 123.304 122.820 0.268 0.000 1.975 324 A HA 0.348 4.668 4.320 -0.000 0.000 0.215 324 A C 0.553 178.193 177.584 0.093 0.000 1.170 324 A CA 1.002 53.180 52.037 0.236 0.000 0.656 324 A CB -0.122 18.948 19.000 0.117 0.000 0.821 324 A HN 0.041 nan 8.150 nan 0.000 0.449 325 V N -0.480 119.419 119.914 -0.025 0.000 2.876 325 V HA 0.469 4.589 4.120 -0.000 0.000 0.312 325 V C -0.207 175.719 176.094 -0.280 0.000 1.085 325 V CA -0.607 61.523 62.300 -0.284 0.000 0.945 325 V CB 1.905 33.410 31.823 -0.531 0.000 1.017 325 V HN 0.207 nan 8.190 nan 0.000 0.428 326 S N 2.473 117.969 115.700 -0.341 0.000 2.411 326 S HA 0.440 4.910 4.470 -0.000 0.000 0.294 326 S C 0.268 174.720 174.600 -0.247 0.000 1.115 326 S CA -0.317 57.772 58.200 -0.185 0.000 1.071 326 S CB -0.050 63.053 63.200 -0.162 0.000 0.967 326 S HN 0.492 nan 8.310 nan 0.000 0.488 327 F N 2.707 122.665 119.950 0.015 0.000 2.698 327 F HA 0.254 4.782 4.527 0.000 0.000 0.295 327 F C 1.666 177.466 175.800 -0.001 0.000 1.124 327 F CA 0.175 58.175 58.000 -0.000 0.000 1.426 327 F CB 0.329 39.322 39.000 -0.013 0.000 1.120 327 F HN 0.576 nan 8.300 nan 0.000 0.583 328 Q N 0.971 120.876 119.800 0.175 0.000 2.462 328 Q HA 0.149 4.489 4.340 -0.000 0.000 0.395 328 Q C -1.826 174.214 176.000 0.068 0.000 0.911 328 Q CA -1.485 54.364 55.803 0.077 0.000 1.112 328 Q CB 0.528 29.268 28.738 0.003 0.000 1.350 328 Q HN 0.114 nan 8.270 nan 0.000 0.407 329 P HA -0.262 nan 4.420 nan 0.000 0.215 329 P C 1.154 178.480 177.300 0.043 0.000 1.153 329 P CA 1.668 64.807 63.100 0.066 0.000 0.853 329 P CB 0.352 32.074 31.700 0.037 0.000 0.788 330 A N 0.940 123.762 122.820 0.003 0.000 1.908 330 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 330 A C 2.463 180.011 177.584 -0.061 0.000 1.181 330 A CA 2.369 54.399 52.037 -0.013 0.000 0.627 330 A CB -1.429 17.558 19.000 -0.020 0.000 0.818 330 A HN 0.215 nan 8.150 nan 0.000 0.445 331 K N -1.598 118.706 120.400 -0.160 0.000 2.044 331 K HA -0.226 4.094 4.320 -0.000 0.000 0.210 331 K C 1.781 178.170 176.600 -0.351 0.000 1.049 331 K CA 2.078 58.180 56.287 -0.308 0.000 0.927 331 K CB -0.383 31.810 32.500 -0.511 0.000 0.713 331 K HN 0.520 nan 8.250 nan 0.000 0.443 332 Y N 0.167 120.413 120.300 -0.090 0.000 2.395 332 Y HA 0.045 4.595 4.550 -0.000 0.000 0.293 332 Y C 2.339 178.266 175.900 0.045 0.000 1.123 332 Y CA 0.742 58.757 58.100 -0.143 0.000 1.227 332 Y CB -0.458 37.702 38.460 -0.500 0.000 1.012 332 Y HN 0.201 nan 8.280 nan 0.000 0.552 333 A N 0.388 123.329 122.820 0.202 0.000 1.933 333 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 333 A C 2.275 179.950 177.584 0.151 0.000 1.175 333 A CA 1.560 53.745 52.037 0.248 0.000 0.628 333 A CB -0.446 18.636 19.000 0.137 0.000 0.814 333 A HN 0.377 nan 8.150 nan 0.000 0.444 334 R N -0.783 119.762 120.500 0.074 0.000 2.119 334 R HA 0.109 4.449 4.340 -0.000 0.000 0.222 334 R C 1.924 178.263 176.300 0.064 0.000 1.088 334 R CA 1.129 57.257 56.100 0.046 0.000 0.984 334 R CB -0.340 29.962 30.300 0.003 0.000 0.884 334 R HN 0.556 nan 8.270 nan 0.000 0.447 335 I N 0.698 121.314 120.570 0.077 0.000 2.252 335 I HA -0.277 3.893 4.170 -0.000 0.000 0.245 335 I C 2.299 178.506 176.117 0.150 0.000 1.102 335 I CA 0.843 62.203 61.300 0.099 0.000 1.385 335 I CB -0.174 37.898 38.000 0.121 0.000 1.064 335 I HN 0.146 nan 8.210 nan 0.000 0.414 336 L N 1.247 122.605 121.223 0.226 0.000 2.017 336 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 336 L C 2.598 179.551 176.870 0.137 0.000 1.073 336 L CA 2.172 57.148 54.840 0.227 0.000 0.745 336 L CB -0.733 41.516 42.059 0.318 0.000 0.894 336 L HN 0.172 nan 8.230 nan 0.000 0.432 337 A N -1.399 121.491 122.820 0.115 0.000 1.908 337 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 337 A C 2.279 179.901 177.584 0.064 0.000 1.181 337 A CA 2.452 54.535 52.037 0.077 0.000 0.627 337 A CB -1.342 17.692 19.000 0.057 0.000 0.818 337 A HN 0.539 nan 8.150 nan 0.000 0.445 338 T N -0.012 114.580 114.554 0.063 0.000 2.720 338 T HA -0.149 4.201 4.350 -0.000 0.000 0.268 338 T C 1.864 176.596 174.700 0.053 0.000 1.037 338 T CA 1.815 63.945 62.100 0.050 0.000 1.144 338 T CB -0.223 68.672 68.868 0.045 0.000 0.864 338 T HN 0.573 nan 8.240 nan 0.000 0.444 339 K N 0.901 121.341 120.400 0.068 0.000 2.211 339 K HA -0.013 4.307 4.320 -0.000 0.000 0.203 339 K C 2.035 178.668 176.600 0.054 0.000 1.050 339 K CA 1.065 57.391 56.287 0.065 0.000 0.945 339 K CB -0.043 32.508 32.500 0.084 0.000 0.732 339 K HN 0.400 nan 8.250 nan 0.000 0.451 340 V N -3.709 116.238 119.914 0.056 0.000 3.578 340 V HA 0.397 4.517 4.120 -0.000 0.000 0.290 340 V C 0.766 176.883 176.094 0.038 0.000 1.376 340 V CA 0.203 62.531 62.300 0.046 0.000 1.083 340 V CB 0.022 31.876 31.823 0.052 0.000 0.911 340 V HN 0.318 nan 8.190 nan 0.000 0.433 341 G N -0.361 108.461 108.800 0.037 0.000 2.149 341 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.235 341 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.235 341 G C 0.278 175.196 174.900 0.031 0.000 1.018 341 G CA 0.197 45.315 45.100 0.030 0.000 0.728 341 G HN 0.658 nan 8.290 nan 0.000 0.508 342 c N -0.264 118.358 118.600 0.037 0.000 3.243 342 c HA 0.345 4.915 4.570 -0.000 0.000 0.286 342 c C 1.137 175.246 174.090 0.032 0.000 1.373 342 c CA -0.562 55.789 56.329 0.036 0.000 1.749 342 c CB -0.859 41.678 42.510 0.046 0.000 2.313 342 c HN 0.617 nan 8.230 nan 0.000 0.644 343 N N 1.985 120.703 118.700 0.030 0.000 2.549 343 N HA 0.254 4.994 4.740 -0.000 0.000 0.267 343 N C -0.079 175.442 175.510 0.018 0.000 1.182 343 N CA 0.242 53.307 53.050 0.025 0.000 1.019 343 N CB 0.333 38.836 38.487 0.026 0.000 1.380 343 N HN 0.427 nan 8.380 nan 0.000 0.505 344 V N 0.644 120.568 119.914 0.017 0.000 2.975 344 V HA 0.512 4.632 4.120 -0.000 0.000 0.318 344 V C 1.441 177.541 176.094 0.010 0.000 1.077 344 V CA -0.276 62.032 62.300 0.013 0.000 1.000 344 V CB 1.170 33.001 31.823 0.014 0.000 1.066 344 V HN 0.500 nan 8.190 nan 0.000 0.452 345 S N 0.472 116.177 115.700 0.008 0.000 2.348 345 S HA -0.186 4.284 4.470 -0.000 0.000 0.221 345 S C 0.787 175.390 174.600 0.006 0.000 1.033 345 S CA 1.363 59.567 58.200 0.006 0.000 1.010 345 S CB -0.768 62.435 63.200 0.005 0.000 0.891 345 S HN 1.009 nan 8.310 nan 0.000 0.442 346 D N 1.937 122.342 120.400 0.008 0.000 2.401 346 D HA 0.240 4.880 4.640 -0.000 0.000 0.254 346 D C 1.458 177.763 176.300 0.009 0.000 1.192 346 D CA 0.670 54.675 54.000 0.009 0.000 0.885 346 D CB 1.216 42.022 40.800 0.010 0.000 1.147 346 D HN 0.415 nan 8.370 nan 0.000 0.478 347 T N 0.302 114.860 114.554 0.007 0.000 2.833 347 T HA -0.167 4.183 4.350 -0.000 0.000 0.269 347 T C 1.869 176.573 174.700 0.006 0.000 1.054 347 T CA 0.866 62.969 62.100 0.004 0.000 1.135 347 T CB -0.299 68.571 68.868 0.004 0.000 0.869 347 T HN 0.259 nan 8.240 nan 0.000 0.466 348 V N 1.867 121.788 119.914 0.012 0.000 2.358 348 V HA -0.116 4.004 4.120 -0.000 0.000 0.246 348 V C 2.757 178.862 176.094 0.019 0.000 1.047 348 V CA 1.872 64.182 62.300 0.017 0.000 1.035 348 V CB -0.625 31.210 31.823 0.020 0.000 0.658 348 V HN 0.568 nan 8.190 nan 0.000 0.452 349 E N -0.152 120.058 120.200 0.017 0.000 2.150 349 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 349 E C 2.179 178.792 176.600 0.021 0.000 0.985 349 E CA 1.070 57.481 56.400 0.019 0.000 0.814 349 E CB -0.113 29.596 29.700 0.016 0.000 0.752 349 E HN 0.551 nan 8.360 nan 0.000 0.466 350 L N 0.712 121.945 121.223 0.016 0.000 2.017 350 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 350 L C 2.265 179.144 176.870 0.016 0.000 1.073 350 L CA 1.018 55.867 54.840 0.015 0.000 0.745 350 L CB -0.050 42.013 42.059 0.007 0.000 0.894 350 L HN -0.023 nan 8.230 nan 0.000 0.432 351 V N 0.210 120.126 119.914 0.004 0.000 2.358 351 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 351 V C 2.406 178.553 176.094 0.089 0.000 1.047 351 V CA 2.036 64.339 62.300 0.005 0.000 1.035 351 V CB -0.617 31.195 31.823 -0.019 0.000 0.658 351 V HN 0.501 nan 8.190 nan 0.000 0.452 352 E N -0.882 119.356 120.200 0.063 0.000 2.110 352 E HA -0.270 4.080 4.350 -0.000 0.000 0.193 352 E C 2.274 178.912 176.600 0.064 0.000 0.988 352 E CA 1.625 58.062 56.400 0.062 0.000 0.804 352 E CB -0.381 29.341 29.700 0.036 0.000 0.745 352 E HN 0.676 nan 8.360 nan 0.000 0.458 353 c N 0.811 119.445 118.600 0.057 0.000 2.446 353 c HA -0.063 4.507 4.570 -0.000 0.000 0.277 353 c C 2.536 176.673 174.090 0.079 0.000 1.275 353 c CA 0.428 56.789 56.329 0.054 0.000 1.727 353 c CB -0.963 41.573 42.510 0.042 0.000 2.010 353 c HN 0.369 nan 8.230 nan 0.000 0.486 354 L N 0.347 121.641 121.223 0.119 0.000 2.131 354 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 354 L C 2.751 179.753 176.870 0.220 0.000 1.092 354 L CA 1.508 56.463 54.840 0.193 0.000 0.759 354 L CB -0.751 41.463 42.059 0.258 0.000 0.903 354 L HN 0.477 nan 8.230 nan 0.000 0.435 355 Q N -0.352 119.567 119.800 0.199 0.000 2.436 355 Q HA -0.117 4.223 4.340 -0.000 0.000 0.209 355 Q C 1.743 177.754 176.000 0.017 0.000 0.965 355 Q CA 0.656 56.506 55.803 0.077 0.000 0.910 355 Q CB 0.183 28.962 28.738 0.069 0.000 0.980 355 Q HN 0.346 nan 8.270 nan 0.000 0.491 356 K N 0.156 120.577 120.400 0.036 0.000 2.356 356 K HA 0.081 4.401 4.320 -0.000 0.000 0.195 356 K C 0.300 176.906 176.600 0.011 0.000 1.037 356 K CA 0.300 56.596 56.287 0.015 0.000 1.014 356 K CB 0.427 32.938 32.500 0.018 0.000 0.815 356 K HN 0.003 nan 8.250 nan 0.000 0.507 357 K N 1.914 122.329 120.400 0.024 0.000 2.326 357 K HA 0.194 4.514 4.320 -0.000 0.000 0.275 357 K C -2.444 174.154 176.600 -0.004 0.000 1.018 357 K CA -1.992 54.304 56.287 0.015 0.000 0.962 357 K CB -0.041 32.481 32.500 0.037 0.000 0.953 357 K HN -0.123 nan 8.250 nan 0.000 0.475 358 P HA -0.010 nan 4.420 nan 0.000 0.268 358 P C 0.452 177.697 177.300 -0.093 0.000 1.204 358 P CA -0.059 62.982 63.100 -0.098 0.000 0.768 358 P CB 0.139 31.750 31.700 -0.148 0.000 0.842 359 Y N 3.155 123.427 120.300 -0.047 0.000 2.256 359 Y HA -0.233 4.317 4.550 -0.000 0.000 0.288 359 Y C 1.993 177.875 175.900 -0.031 0.000 1.155 359 Y CA 1.552 59.620 58.100 -0.053 0.000 1.203 359 Y CB -0.919 37.496 38.460 -0.074 0.000 0.980 359 Y HN 0.102 nan 8.280 nan 0.000 0.530 360 K N 0.990 121.126 120.400 -0.441 0.000 2.147 360 K HA -0.206 4.114 4.320 -0.000 0.000 0.205 360 K C 2.019 178.582 176.600 -0.063 0.000 1.049 360 K CA 1.692 57.854 56.287 -0.209 0.000 0.936 360 K CB -0.399 31.899 32.500 -0.338 0.000 0.722 360 K HN 0.542 nan 8.250 nan 0.000 0.446 361 E N 0.062 120.220 120.200 -0.071 0.000 2.110 361 E HA -0.106 4.244 4.350 -0.000 0.000 0.193 361 E C 1.685 178.298 176.600 0.021 0.000 0.988 361 E CA 1.331 57.719 56.400 -0.020 0.000 0.804 361 E CB -0.149 29.538 29.700 -0.021 0.000 0.745 361 E HN 0.372 nan 8.360 nan 0.000 0.458 362 L N -0.570 120.677 121.223 0.039 0.000 2.131 362 L HA -0.062 4.278 4.340 -0.000 0.000 0.206 362 L C 2.363 179.256 176.870 0.039 0.000 1.087 362 L CA 0.573 55.443 54.840 0.050 0.000 0.767 362 L CB -0.338 41.765 42.059 0.073 0.000 0.917 362 L HN 0.073 nan 8.230 nan 0.000 0.441 363 V N -0.344 119.609 119.914 0.065 0.000 2.358 363 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 363 V C 1.762 177.893 176.094 0.062 0.000 1.047 363 V CA 1.645 63.986 62.300 0.068 0.000 1.035 363 V CB -0.456 31.438 31.823 0.118 0.000 0.658 363 V HN 0.405 nan 8.190 nan 0.000 0.452 364 D N -0.720 119.712 120.400 0.053 0.000 2.371 364 D HA -0.013 4.627 4.640 -0.000 0.000 0.221 364 D C 1.034 177.368 176.300 0.056 0.000 0.986 364 D CA 0.325 54.354 54.000 0.048 0.000 0.899 364 D CB -0.063 40.755 40.800 0.030 0.000 0.902 364 D HN 0.405 nan 8.370 nan 0.000 0.530 365 Q N 1.045 120.884 119.800 0.066 0.000 2.373 365 Q HA 0.090 4.430 4.340 -0.000 0.000 0.255 365 Q C -0.092 175.970 176.000 0.104 0.000 0.980 365 Q CA 0.338 56.191 55.803 0.083 0.000 0.882 365 Q CB 0.743 29.540 28.738 0.099 0.000 1.249 365 Q HN 0.093 nan 8.270 nan 0.000 0.438 366 D N 1.876 122.336 120.400 0.099 0.000 2.456 366 D HA 0.197 4.837 4.640 -0.000 0.000 0.219 366 D C -0.724 175.653 176.300 0.128 0.000 1.126 366 D CA -0.139 53.922 54.000 0.101 0.000 0.890 366 D CB 0.948 41.793 40.800 0.076 0.000 1.025 366 D HN 0.062 nan 8.370 nan 0.000 0.511 367 V N 3.461 123.474 119.914 0.164 0.000 2.284 367 V HA 0.147 4.267 4.120 -0.000 0.000 0.274 367 V C 0.210 176.352 176.094 0.080 0.000 1.023 367 V CA -0.684 61.726 62.300 0.183 0.000 0.808 367 V CB 1.173 33.196 31.823 0.333 0.000 1.035 367 V HN 0.282 nan 8.190 nan 0.000 0.445 368 Q N 6.534 126.378 119.800 0.072 0.000 2.274 368 Q HA 0.417 4.757 4.340 -0.000 0.000 0.256 368 Q C -2.102 173.894 176.000 -0.006 0.000 0.927 368 Q CA -1.362 54.453 55.803 0.020 0.000 0.939 368 Q CB 2.010 30.777 28.738 0.049 0.000 1.201 368 Q HN 0.533 nan 8.270 nan 0.000 0.426 369 P HA 0.294 nan 4.420 nan 0.000 0.301 369 P C -1.145 176.177 177.300 0.037 0.000 1.309 369 P CA -0.557 62.441 63.100 -0.171 0.000 0.782 369 P CB 0.686 32.169 31.700 -0.363 0.000 1.282 370 A N 0.477 123.352 122.820 0.092 0.000 2.425 370 A HA 0.134 4.454 4.320 -0.000 0.000 0.242 370 A C 0.687 178.343 177.584 0.121 0.000 1.077 370 A CA -0.218 51.866 52.037 0.079 0.000 0.781 370 A CB -0.379 18.595 19.000 -0.043 0.000 1.020 370 A HN 0.542 nan 8.150 nan 0.000 0.494 371 R N 0.475 121.002 120.500 0.044 0.000 2.585 371 R HA 0.137 4.477 4.340 -0.000 0.000 0.275 371 R C -0.608 175.675 176.300 -0.028 0.000 1.018 371 R CA 0.765 56.758 56.100 -0.177 0.000 1.072 371 R CB -0.189 29.869 30.300 -0.402 0.000 0.953 371 R HN 0.826 nan 8.270 nan 0.000 0.419 372 Y N -1.291 119.188 120.300 0.298 0.000 4.907 372 Y HA -0.318 4.232 4.550 -0.000 0.000 0.246 372 Y C -0.435 175.442 175.900 -0.040 0.000 0.968 372 Y CA 1.106 59.331 58.100 0.208 0.000 1.961 372 Y CB -2.501 35.931 38.460 -0.047 0.000 1.487 372 Y HN 0.754 nan 8.280 nan 0.000 0.575 373 H N -0.643 118.563 119.070 0.227 0.000 2.869 373 H HA 0.849 5.405 4.556 -0.000 0.000 0.342 373 H C 0.316 175.707 175.328 0.105 0.000 1.250 373 H CA -0.648 55.499 56.048 0.165 0.000 1.217 373 H CB 1.492 31.309 29.762 0.091 0.000 1.917 373 H HN 0.124 nan 8.280 nan 0.000 0.586 374 I N -1.587 119.085 120.570 0.170 0.000 2.846 374 I HA 0.774 4.944 4.170 -0.000 0.000 0.307 374 I C 0.193 176.166 176.117 -0.241 0.000 1.053 374 I CA -1.109 60.185 61.300 -0.010 0.000 1.050 374 I CB 2.473 40.499 38.000 0.044 0.000 1.239 374 I HN 0.620 nan 8.210 nan 0.000 0.439 375 A N 3.561 126.093 122.820 -0.481 0.000 1.884 375 A HA 0.410 4.730 4.320 -0.000 0.000 0.212 375 A C 0.434 177.572 177.584 -0.745 0.000 1.265 375 A CA 0.650 52.052 52.037 -1.059 0.000 0.626 375 A CB -0.358 17.843 19.000 -1.331 0.000 0.943 375 A HN 0.601 nan 8.150 nan 0.000 0.466 376 F N -0.193 119.689 119.950 -0.114 0.000 2.385 376 F HA 0.625 5.152 4.527 0.000 0.000 0.360 376 F C 0.776 176.481 175.800 -0.157 0.000 1.122 376 F CA 0.159 58.153 58.000 -0.010 0.000 1.090 376 F CB 1.455 40.522 39.000 0.111 0.000 1.150 376 F HN 0.440 nan 8.300 nan 0.000 0.472 377 G N 3.021 111.709 108.800 -0.187 0.000 2.427 377 G HA2 0.438 4.398 3.960 -0.000 0.000 0.306 377 G HA3 0.438 4.398 3.960 -0.000 0.000 0.306 377 G C -3.382 171.051 174.900 -0.778 0.000 1.280 377 G CA -1.173 43.311 45.100 -1.028 0.000 0.837 377 G HN 0.165 nan 8.290 nan 0.000 0.482 378 P HA 0.327 nan 4.420 nan 0.000 0.265 378 P C 0.074 177.185 177.300 -0.315 0.000 1.187 378 P CA 0.062 62.906 63.100 -0.428 0.000 0.766 378 P CB 1.018 32.443 31.700 -0.458 0.000 0.820 379 V N 0.930 120.722 119.914 -0.202 0.000 3.001 379 V HA 0.530 4.650 4.120 -0.000 0.000 0.314 379 V C -0.240 175.743 176.094 -0.186 0.000 1.099 379 V CA -1.088 61.083 62.300 -0.216 0.000 0.989 379 V CB 2.061 33.807 31.823 -0.128 0.000 1.040 379 V HN 0.238 nan 8.190 nan 0.000 0.434 380 I N 3.537 123.991 120.570 -0.193 0.000 2.278 380 I HA 0.246 4.416 4.170 -0.000 0.000 0.296 380 I C 0.759 176.844 176.117 -0.053 0.000 1.121 380 I CA -0.048 61.187 61.300 -0.107 0.000 1.267 380 I CB 0.471 38.425 38.000 -0.077 0.000 1.447 380 I HN 0.916 nan 8.210 nan 0.000 0.509 381 D N 4.295 124.670 120.400 -0.042 0.000 2.360 381 D HA 0.022 4.662 4.640 -0.000 0.000 0.210 381 D C 1.362 177.674 176.300 0.020 0.000 1.047 381 D CA 0.718 54.707 54.000 -0.019 0.000 0.854 381 D CB 0.690 41.465 40.800 -0.041 0.000 0.936 381 D HN 0.670 nan 8.370 nan 0.000 0.514 382 G N 1.063 109.884 108.800 0.035 0.000 2.179 382 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.260 382 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.260 382 G C 0.518 175.481 174.900 0.105 0.000 0.977 382 G CA 0.745 45.881 45.100 0.061 0.000 0.641 382 G HN 0.537 nan 8.290 nan 0.000 0.533 383 D N -1.109 119.368 120.400 0.127 0.000 3.137 383 D HA 0.214 4.854 4.640 -0.000 0.000 0.236 383 D C 2.471 178.947 176.300 0.294 0.000 1.557 383 D CA 1.119 55.267 54.000 0.246 0.000 1.305 383 D CB -0.322 40.618 40.800 0.233 0.000 1.065 383 D HN 0.225 nan 8.370 nan 0.000 0.290 384 V N 1.148 121.134 119.914 0.119 0.000 2.295 384 V HA -0.034 4.086 4.120 -0.000 0.000 0.246 384 V C 0.878 176.986 176.094 0.024 0.000 1.049 384 V CA 0.966 63.241 62.300 -0.042 0.000 1.024 384 V CB -0.128 31.532 31.823 -0.271 0.000 0.648 384 V HN 0.332 nan 8.190 nan 0.000 0.447 385 I N 2.009 122.585 120.570 0.010 0.000 2.428 385 I HA 0.259 4.429 4.170 -0.000 0.000 0.279 385 I C -1.411 174.732 176.117 0.044 0.000 1.040 385 I CA -2.520 58.790 61.300 0.016 0.000 1.171 385 I CB 1.078 39.053 38.000 -0.042 0.000 1.312 385 I HN 0.153 nan 8.210 nan 0.000 0.470 386 P HA -0.105 nan 4.420 nan 0.000 0.219 386 P C 0.252 177.588 177.300 0.059 0.000 1.146 386 P CA 1.386 64.539 63.100 0.088 0.000 0.808 386 P CB 1.074 32.840 31.700 0.109 0.000 0.779 387 D N -2.177 118.254 120.400 0.052 0.000 2.792 387 D HA 0.082 4.722 4.640 -0.000 0.000 0.335 387 D C -1.373 174.964 176.300 0.062 0.000 1.353 387 D CA -0.653 53.380 54.000 0.054 0.000 0.839 387 D CB 0.468 41.300 40.800 0.053 0.000 1.396 387 D HN -0.285 nan 8.370 nan 0.000 0.479 388 D N 0.487 120.944 120.400 0.096 0.000 2.531 388 D HA 0.040 4.680 4.640 -0.000 0.000 0.239 388 D C -1.589 174.770 176.300 0.100 0.000 1.144 388 D CA -0.847 53.239 54.000 0.143 0.000 0.869 388 D CB 1.424 42.330 40.800 0.177 0.000 1.160 388 D HN 0.014 nan 8.370 nan 0.000 0.484 389 P HA -0.179 nan 4.420 nan 0.000 0.217 389 P C 1.160 178.504 177.300 0.073 0.000 1.148 389 P CA 1.246 64.386 63.100 0.067 0.000 0.828 389 P CB 0.267 31.995 31.700 0.047 0.000 0.783 390 Q N -0.175 119.673 119.800 0.081 0.000 2.084 390 Q HA -0.147 4.193 4.340 -0.000 0.000 0.202 390 Q C 1.950 177.994 176.000 0.073 0.000 0.978 390 Q CA 1.674 57.518 55.803 0.068 0.000 0.844 390 Q CB -1.088 27.682 28.738 0.054 0.000 0.898 390 Q HN 0.202 nan 8.270 nan 0.000 0.426 391 I N -0.318 120.294 120.570 0.070 0.000 2.202 391 I HA -0.268 3.902 4.170 -0.000 0.000 0.242 391 I C 2.048 178.198 176.117 0.055 0.000 1.091 391 I CA 0.876 62.213 61.300 0.061 0.000 1.368 391 I CB -0.310 37.722 38.000 0.054 0.000 1.058 391 I HN 0.220 nan 8.210 nan 0.000 0.410 392 L N -0.369 120.890 121.223 0.059 0.000 2.042 392 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 392 L C 2.710 179.625 176.870 0.075 0.000 1.076 392 L CA 1.123 55.995 54.840 0.054 0.000 0.749 392 L CB -0.519 41.587 42.059 0.079 0.000 0.893 392 L HN 0.299 nan 8.230 nan 0.000 0.432 393 M N -0.713 118.958 119.600 0.118 0.000 2.099 393 M HA -0.136 4.344 4.480 -0.000 0.000 0.262 393 M C 2.281 178.699 176.300 0.197 0.000 1.067 393 M CA 1.514 56.926 55.300 0.186 0.000 1.124 393 M CB -0.978 31.688 32.600 0.110 0.000 1.353 393 M HN 0.178 nan 8.290 nan 0.000 0.410 394 E N 0.425 120.719 120.200 0.156 0.000 2.160 394 E HA -0.183 4.167 4.350 -0.000 0.000 0.195 394 E C 1.685 178.420 176.600 0.224 0.000 0.991 394 E CA 1.071 57.594 56.400 0.205 0.000 0.810 394 E CB -0.287 29.494 29.700 0.136 0.000 0.742 394 E HN 0.645 nan 8.360 nan 0.000 0.466 395 Q N -0.658 119.167 119.800 0.042 0.000 2.320 395 Q HA 0.174 4.514 4.340 -0.000 0.000 0.201 395 Q C 0.606 176.283 176.000 -0.539 0.000 0.910 395 Q CA 0.319 56.082 55.803 -0.067 0.000 0.946 395 Q CB 0.636 29.343 28.738 -0.051 0.000 1.062 395 Q HN 0.316 nan 8.270 nan 0.000 0.503 396 G N 1.943 110.101 108.800 -1.070 0.000 2.249 396 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.273 396 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.273 396 G C -0.177 173.856 174.900 -1.445 0.000 1.036 396 G CA 0.004 43.783 45.100 -2.200 0.000 0.824 396 G HN 0.295 nan 8.290 nan 0.000 0.504 397 E N -0.125 119.669 120.200 -0.677 0.000 2.148 397 E HA 0.409 4.759 4.350 -0.000 0.000 0.308 397 E C 0.313 176.847 176.600 -0.110 0.000 1.278 397 E CA 0.318 56.520 56.400 -0.330 0.000 1.368 397 E CB -0.693 28.942 29.700 -0.107 0.000 1.229 397 E HN 0.749 nan 8.360 nan 0.000 0.494 398 F N -2.058 117.825 119.950 -0.110 0.000 2.678 398 F HA 0.416 4.943 4.527 -0.000 0.000 0.308 398 F C -0.626 175.181 175.800 0.011 0.000 1.118 398 F CA -1.386 56.627 58.000 0.022 0.000 0.959 398 F CB 0.717 39.767 39.000 0.083 0.000 1.305 398 F HN -0.197 nan 8.300 nan 0.000 0.443 399 L N 1.592 122.961 121.223 0.243 0.000 2.472 399 L HA 0.253 4.593 4.340 -0.000 0.000 0.260 399 L C 0.111 176.991 176.870 0.016 0.000 1.209 399 L CA -0.329 54.461 54.840 -0.084 0.000 0.817 399 L CB 0.398 42.201 42.059 -0.428 0.000 1.106 399 L HN 0.702 nan 8.230 nan 0.000 0.479 400 N N 0.575 119.219 118.700 -0.093 0.000 2.807 400 N HA 0.200 4.940 4.740 -0.000 0.000 0.259 400 N C -1.189 174.294 175.510 -0.046 0.000 1.149 400 N CA -0.281 52.820 53.050 0.085 0.000 1.042 400 N CB 0.197 38.736 38.487 0.087 0.000 1.367 400 N HN 0.283 nan 8.380 nan 0.000 0.516 401 Y N 0.021 120.401 120.300 0.133 0.000 2.334 401 Y HA 0.170 4.720 4.550 -0.000 0.000 0.325 401 Y C 0.874 176.810 175.900 0.061 0.000 1.308 401 Y CA -0.668 57.459 58.100 0.045 0.000 1.389 401 Y CB 0.612 39.089 38.460 0.028 0.000 1.328 401 Y HN 0.290 nan 8.280 nan 0.000 0.532 402 D N 2.513 123.046 120.400 0.222 0.000 2.264 402 D HA 0.267 4.907 4.640 -0.000 0.000 0.250 402 D C -0.374 176.150 176.300 0.373 0.000 1.113 402 D CA 0.102 54.230 54.000 0.212 0.000 0.871 402 D CB 1.022 41.796 40.800 -0.043 0.000 1.167 402 D HN 0.371 nan 8.370 nan 0.000 0.447 403 I N -1.022 119.742 120.570 0.323 0.000 2.730 403 I HA 0.589 4.758 4.170 -0.000 0.000 0.298 403 I C -1.061 175.019 176.117 -0.062 0.000 1.089 403 I CA -1.069 60.302 61.300 0.120 0.000 1.041 403 I CB 1.933 39.774 38.000 -0.264 0.000 1.235 403 I HN 0.315 nan 8.210 nan 0.000 0.423 404 M N 7.694 127.094 119.600 -0.333 0.000 2.327 404 M HA 0.755 5.235 4.480 -0.000 0.000 0.298 404 M C -2.020 174.102 176.300 -0.296 0.000 1.065 404 M CA -0.621 54.361 55.300 -0.530 0.000 0.916 404 M CB 2.445 34.310 32.600 -1.225 0.000 1.630 404 M HN 0.775 nan 8.290 nan 0.000 0.442 405 L N 1.852 122.928 121.223 -0.245 0.000 2.469 405 L HA 1.146 5.486 4.340 -0.000 0.000 0.256 405 L C -0.884 175.434 176.870 -0.919 0.000 1.006 405 L CA -0.695 53.937 54.840 -0.347 0.000 0.832 405 L CB 2.028 43.922 42.059 -0.275 0.000 1.421 405 L HN 0.790 nan 8.230 nan 0.000 0.410 406 G N 0.168 108.276 108.800 -1.153 0.000 2.495 406 G HA2 0.645 4.605 3.960 -0.000 0.000 0.294 406 G HA3 0.645 4.605 3.960 -0.000 0.000 0.294 406 G C -1.501 172.835 174.900 -0.941 0.000 1.397 406 G CA -0.030 43.887 45.100 -1.972 0.000 0.790 406 G HN 1.317 nan 8.290 nan 0.000 0.486 407 V N -2.571 116.947 119.914 -0.659 0.000 3.181 407 V HA 0.822 4.942 4.120 -0.000 0.000 0.308 407 V C -1.201 174.909 176.094 0.027 0.000 1.214 407 V CA -1.513 60.700 62.300 -0.146 0.000 1.053 407 V CB 1.959 33.797 31.823 0.026 0.000 1.069 407 V HN 0.664 nan 8.190 nan 0.000 0.441 408 N N 1.070 119.792 118.700 0.036 0.000 2.466 408 N HA 0.360 5.100 4.740 -0.000 0.000 0.294 408 N C 0.688 176.187 175.510 -0.019 0.000 1.129 408 N CA -0.300 52.796 53.050 0.077 0.000 0.931 408 N CB 1.807 40.304 38.487 0.016 0.000 1.193 408 N HN 0.991 nan 8.380 nan 0.000 0.500 409 Q N 1.226 120.898 119.800 -0.215 0.000 2.096 409 Q HA -0.123 4.217 4.340 -0.000 0.000 0.208 409 Q C 0.316 176.226 176.000 -0.149 0.000 0.993 409 Q CA 1.898 57.428 55.803 -0.455 0.000 0.862 409 Q CB -0.184 27.847 28.738 -1.178 0.000 0.915 409 Q HN 0.770 nan 8.270 nan 0.000 0.416 410 G N -0.102 108.613 108.800 -0.143 0.000 4.912 410 G HA2 0.120 4.080 3.960 -0.000 0.000 0.307 410 G HA3 0.120 4.080 3.960 -0.000 0.000 0.307 410 G C 0.146 175.000 174.900 -0.076 0.000 1.381 410 G CA -0.401 44.669 45.100 -0.050 0.000 1.057 410 G HN 0.205 nan 8.290 nan 0.000 0.593 411 E N 1.074 121.165 120.200 -0.183 0.000 2.086 411 E HA -0.170 4.180 4.350 -0.000 0.000 0.205 411 E C 2.265 178.684 176.600 -0.301 0.000 1.027 411 E CA 1.551 57.663 56.400 -0.481 0.000 0.830 411 E CB -0.223 28.784 29.700 -1.155 0.000 0.751 411 E HN 0.405 nan 8.360 nan 0.000 0.456 412 G N 1.448 110.271 108.800 0.038 0.000 3.262 412 G HA2 0.029 3.989 3.960 -0.000 0.000 0.222 412 G HA3 0.029 3.989 3.960 -0.000 0.000 0.222 412 G C 1.269 176.355 174.900 0.309 0.000 1.269 412 G CA -0.083 45.277 45.100 0.433 0.000 1.032 412 G HN 0.091 nan 8.290 nan 0.000 0.502 413 L N 0.342 121.677 121.223 0.187 0.000 1.997 413 L HA -0.133 4.207 4.340 -0.000 0.000 0.216 413 L C 2.431 179.412 176.870 0.185 0.000 1.074 413 L CA 1.900 56.849 54.840 0.182 0.000 0.763 413 L CB -0.125 41.981 42.059 0.078 0.000 0.890 413 L HN 0.043 nan 8.230 nan 0.000 0.434 414 K N -0.907 119.591 120.400 0.163 0.000 2.280 414 K HA -0.188 4.132 4.320 -0.000 0.000 0.202 414 K C 2.069 178.730 176.600 0.101 0.000 1.047 414 K CA 1.306 57.670 56.287 0.129 0.000 0.942 414 K CB -0.755 31.825 32.500 0.133 0.000 0.739 414 K HN 0.425 nan 8.250 nan 0.000 0.457 415 F N 1.180 121.054 119.950 -0.125 0.000 2.234 415 F HA -0.170 4.357 4.527 -0.000 0.000 0.299 415 F C 1.788 177.485 175.800 -0.173 0.000 1.087 415 F CA 1.025 58.803 58.000 -0.370 0.000 1.340 415 F CB 0.188 38.604 39.000 -0.975 0.000 1.031 415 F HN -0.139 nan 8.300 nan 0.000 0.500 416 V N -3.417 116.443 119.914 -0.090 0.000 3.570 416 V HA 0.140 4.260 4.120 -0.000 0.000 0.257 416 V C 1.881 177.995 176.094 0.032 0.000 1.272 416 V CA 0.831 63.058 62.300 -0.122 0.000 1.079 416 V CB -0.419 31.403 31.823 -0.002 0.000 0.829 416 V HN 0.291 nan 8.190 nan 0.000 0.454 417 E N 1.870 122.161 120.200 0.151 0.000 2.169 417 E HA -0.368 3.982 4.350 -0.000 0.000 0.202 417 E C 1.902 178.583 176.600 0.134 0.000 1.016 417 E CA 2.220 58.756 56.400 0.226 0.000 0.817 417 E CB -0.132 29.661 29.700 0.155 0.000 0.736 417 E HN 0.734 nan 8.360 nan 0.000 0.462 418 N N 0.049 118.777 118.700 0.047 0.000 2.446 418 N HA -0.044 4.696 4.740 -0.000 0.000 0.179 418 N C 1.576 177.090 175.510 0.006 0.000 1.054 418 N CA 0.799 53.864 53.050 0.025 0.000 0.905 418 N CB 0.066 38.555 38.487 0.003 0.000 0.973 418 N HN 0.427 nan 8.380 nan 0.000 0.448 419 I N -2.971 117.587 120.570 -0.020 0.000 3.976 419 I HA 0.323 4.493 4.170 -0.000 0.000 0.337 419 I C -0.509 175.594 176.117 -0.023 0.000 1.359 419 I CA -0.327 60.955 61.300 -0.031 0.000 1.098 419 I CB 0.206 38.166 38.000 -0.066 0.000 1.027 419 I HN -0.282 nan 8.210 nan 0.000 0.394 420 V N 4.017 123.932 119.914 0.002 0.000 2.530 420 V HA 0.084 4.204 4.120 -0.000 0.000 0.282 420 V C 0.057 176.156 176.094 0.009 0.000 1.048 420 V CA -0.385 61.901 62.300 -0.022 0.000 0.997 420 V CB 0.725 32.548 31.823 0.000 0.000 0.987 420 V HN 0.483 nan 8.190 nan 0.000 0.477 421 D N 3.225 123.614 120.400 -0.019 0.000 2.414 421 D HA 0.092 4.732 4.640 -0.000 0.000 0.251 421 D C 1.358 177.672 176.300 0.024 0.000 1.252 421 D CA 0.071 54.072 54.000 0.001 0.000 0.999 421 D CB 0.443 41.236 40.800 -0.013 0.000 1.093 421 D HN 0.484 nan 8.370 nan 0.000 0.515 422 S N -1.359 114.358 115.700 0.028 0.000 2.500 422 S HA -0.165 4.305 4.470 -0.000 0.000 0.239 422 S C 0.618 175.243 174.600 0.041 0.000 0.989 422 S CA 0.683 58.909 58.200 0.043 0.000 0.951 422 S CB -0.333 62.886 63.200 0.032 0.000 0.759 422 S HN 0.458 nan 8.310 nan 0.000 0.523 423 D N 1.203 121.612 120.400 0.015 0.000 2.363 423 D HA 0.176 4.816 4.640 -0.000 0.000 0.214 423 D C -0.259 176.023 176.300 -0.029 0.000 1.093 423 D CA 0.137 54.138 54.000 0.002 0.000 0.837 423 D CB 0.055 40.848 40.800 -0.012 0.000 0.948 423 D HN 0.203 nan 8.370 nan 0.000 0.507 424 D N -0.548 119.827 120.400 -0.042 0.000 3.041 424 D HA -0.124 4.516 4.640 -0.000 0.000 0.220 424 D C 0.632 176.726 176.300 -0.343 0.000 1.157 424 D CA 1.319 55.191 54.000 -0.213 0.000 0.876 424 D CB -1.272 39.423 40.800 -0.175 0.000 1.107 424 D HN 0.393 nan 8.370 nan 0.000 0.422 425 G N -1.316 107.364 108.800 -0.199 0.000 2.600 425 G HA2 0.682 4.641 3.960 -0.000 0.000 0.303 425 G HA3 0.682 4.641 3.960 -0.000 0.000 0.303 425 G C -0.788 174.030 174.900 -0.136 0.000 1.253 425 G CA -0.554 44.436 45.100 -0.183 0.000 0.974 425 G HN 0.121 nan 8.290 nan 0.000 0.483 426 V N 0.787 120.636 119.914 -0.108 0.000 2.540 426 V HA 0.507 4.627 4.120 -0.000 0.000 0.302 426 V C 0.570 176.654 176.094 -0.017 0.000 1.035 426 V CA -0.785 61.486 62.300 -0.048 0.000 0.873 426 V CB 1.499 33.315 31.823 -0.013 0.000 0.992 426 V HN 1.069 nan 8.190 nan 0.000 0.428 427 S N 3.774 119.478 115.700 0.006 0.000 2.600 427 S HA 0.454 4.924 4.470 -0.000 0.000 0.265 427 S C 1.380 176.015 174.600 0.058 0.000 1.325 427 S CA 0.159 58.369 58.200 0.016 0.000 1.002 427 S CB 1.467 64.676 63.200 0.015 0.000 0.921 427 S HN 1.152 nan 8.310 nan 0.000 0.554 428 A N 1.767 124.609 122.820 0.037 0.000 1.933 428 A HA -0.048 4.272 4.320 -0.000 0.000 0.218 428 A C 2.422 180.102 177.584 0.161 0.000 1.175 428 A CA 1.817 53.890 52.037 0.061 0.000 0.628 428 A CB -1.566 17.446 19.000 0.021 0.000 0.814 428 A HN 1.223 nan 8.150 nan 0.000 0.444 429 S N 0.053 115.823 115.700 0.116 0.000 2.371 429 S HA -0.149 4.321 4.470 -0.000 0.000 0.224 429 S C 1.432 176.126 174.600 0.157 0.000 1.029 429 S CA 1.251 59.525 58.200 0.123 0.000 0.978 429 S CB -0.462 62.772 63.200 0.056 0.000 0.833 429 S HN 0.486 nan 8.310 nan 0.000 0.466 430 D N 0.894 121.370 120.400 0.127 0.000 2.144 430 D HA 0.016 4.656 4.640 -0.000 0.000 0.200 430 D C 1.506 177.923 176.300 0.195 0.000 0.978 430 D CA 0.748 54.829 54.000 0.135 0.000 0.833 430 D CB -0.459 40.381 40.800 0.066 0.000 0.961 430 D HN 0.462 nan 8.370 nan 0.000 0.470 431 F N 1.803 121.788 119.950 0.057 0.000 2.075 431 F HA -0.223 4.304 4.527 -0.000 0.000 0.297 431 F C 2.027 177.886 175.800 0.099 0.000 1.113 431 F CA 1.807 59.838 58.000 0.052 0.000 1.218 431 F CB -0.187 38.822 39.000 0.014 0.000 0.984 431 F HN -0.167 nan 8.300 nan 0.000 0.472 432 D N -0.430 120.144 120.400 0.291 0.000 2.117 432 D HA -0.281 4.359 4.640 -0.000 0.000 0.197 432 D C 2.130 178.504 176.300 0.124 0.000 0.987 432 D CA 1.567 55.681 54.000 0.191 0.000 0.829 432 D CB -0.631 40.323 40.800 0.256 0.000 0.961 432 D HN 0.329 nan 8.370 nan 0.000 0.460 433 F N 0.936 120.902 119.950 0.026 0.000 2.102 433 F HA -0.018 4.509 4.527 -0.000 0.000 0.298 433 F C 2.263 178.066 175.800 0.005 0.000 1.105 433 F CA 1.722 59.736 58.000 0.024 0.000 1.239 433 F CB -0.739 38.276 39.000 0.025 0.000 0.991 433 F HN 0.043 nan 8.300 nan 0.000 0.474 434 A N -0.278 122.555 122.820 0.023 0.000 1.877 434 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 434 A C 2.314 179.877 177.584 -0.036 0.000 1.186 434 A CA 2.103 54.098 52.037 -0.069 0.000 0.620 434 A CB -1.381 17.536 19.000 -0.138 0.000 0.822 434 A HN 0.255 nan 8.150 nan 0.000 0.443 435 V N -0.088 119.725 119.914 -0.168 0.000 2.295 435 V HA -0.225 3.895 4.120 -0.000 0.000 0.246 435 V C 2.795 178.883 176.094 -0.011 0.000 1.049 435 V CA 2.351 64.576 62.300 -0.125 0.000 1.024 435 V CB -0.954 30.673 31.823 -0.326 0.000 0.648 435 V HN 0.556 nan 8.190 nan 0.000 0.447 436 S N 0.651 116.316 115.700 -0.059 0.000 2.370 436 S HA -0.195 4.275 4.470 -0.000 0.000 0.226 436 S C 1.870 176.410 174.600 -0.101 0.000 1.033 436 S CA 1.613 59.781 58.200 -0.054 0.000 1.011 436 S CB -0.475 62.701 63.200 -0.040 0.000 0.852 436 S HN 0.632 nan 8.310 nan 0.000 0.457 437 N N 0.790 119.384 118.700 -0.177 0.000 2.188 437 N HA -0.030 4.710 4.740 -0.000 0.000 0.184 437 N C 1.468 176.982 175.510 0.007 0.000 1.018 437 N CA 0.823 53.778 53.050 -0.159 0.000 0.858 437 N CB -0.494 37.808 38.487 -0.308 0.000 0.989 437 N HN 0.393 nan 8.380 nan 0.000 0.426 438 F N 2.209 122.133 119.950 -0.044 0.000 2.102 438 F HA -0.122 4.405 4.527 -0.000 0.000 0.298 438 F C 2.180 177.898 175.800 -0.137 0.000 1.105 438 F CA 0.891 58.853 58.000 -0.062 0.000 1.239 438 F CB -0.432 38.497 39.000 -0.119 0.000 0.991 438 F HN -0.249 nan 8.300 nan 0.000 0.474 439 V N 0.618 120.464 119.914 -0.113 0.000 2.343 439 V HA -0.309 3.811 4.120 -0.000 0.000 0.247 439 V C 2.113 178.091 176.094 -0.194 0.000 1.051 439 V CA 2.244 64.469 62.300 -0.125 0.000 1.036 439 V CB -0.764 31.048 31.823 -0.018 0.000 0.654 439 V HN 0.295 nan 8.190 nan 0.000 0.451 440 D N 0.090 120.325 120.400 -0.277 0.000 2.144 440 D HA -0.130 4.510 4.640 -0.000 0.000 0.199 440 D C 2.058 178.034 176.300 -0.540 0.000 0.984 440 D CA 1.022 54.700 54.000 -0.538 0.000 0.834 440 D CB -0.372 39.958 40.800 -0.783 0.000 0.955 440 D HN 0.417 nan 8.370 nan 0.000 0.465 441 N N 0.310 118.819 118.700 -0.318 0.000 2.142 441 N HA -0.073 4.667 4.740 -0.000 0.000 0.186 441 N C 1.776 177.206 175.510 -0.133 0.000 1.023 441 N CA 0.419 53.391 53.050 -0.129 0.000 0.852 441 N CB -0.001 38.549 38.487 0.104 0.000 0.998 441 N HN 0.180 nan 8.380 nan 0.000 0.424 442 L N -0.617 120.354 121.223 -0.419 0.000 2.249 442 L HA 0.001 4.341 4.340 -0.000 0.000 0.207 442 L C 1.184 177.682 176.870 -0.619 0.000 1.090 442 L CA 1.207 55.703 54.840 -0.573 0.000 0.802 442 L CB -0.722 40.664 42.059 -1.121 0.000 0.947 442 L HN 0.160 nan 8.230 nan 0.000 0.453 443 Y N -0.416 119.673 120.300 -0.352 0.000 2.442 443 Y HA 0.433 4.983 4.550 -0.000 0.000 0.250 443 Y C 1.447 177.150 175.900 -0.330 0.000 1.113 443 Y CA 0.269 58.137 58.100 -0.388 0.000 1.273 443 Y CB 0.336 38.417 38.460 -0.631 0.000 1.138 443 Y HN 0.219 nan 8.280 nan 0.000 0.522 444 G N -0.080 108.390 108.800 -0.551 0.000 2.746 444 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.685 444 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.685 444 G C -1.209 173.490 174.900 -0.335 0.000 1.350 444 G CA -1.183 43.444 45.100 -0.788 0.000 0.837 444 G HN 0.069 nan 8.290 nan 0.000 0.564 445 Y N 1.212 121.313 120.300 -0.333 0.000 2.335 445 Y HA 0.471 5.021 4.550 -0.000 0.000 0.331 445 Y C -1.022 174.659 175.900 -0.366 0.000 1.094 445 Y CA -1.363 56.572 58.100 -0.277 0.000 1.253 445 Y CB 1.020 39.282 38.460 -0.330 0.000 1.203 445 Y HN 0.459 nan 8.280 nan 0.000 0.508 446 P HA 0.075 nan 4.420 nan 0.000 0.275 446 P C -0.539 176.640 177.300 -0.203 0.000 1.227 446 P CA -0.219 62.556 63.100 -0.541 0.000 0.781 446 P CB 1.156 32.642 31.700 -0.357 0.000 0.906 447 E N 0.832 120.932 120.200 -0.166 0.000 2.463 447 E HA 0.236 4.586 4.350 -0.000 0.000 0.193 447 E C 0.926 177.514 176.600 -0.020 0.000 1.041 447 E CA -0.230 56.168 56.400 -0.003 0.000 0.879 447 E CB 0.456 30.189 29.700 0.056 0.000 0.997 447 E HN 0.622 nan 8.360 nan 0.000 0.478 448 G N 0.416 109.181 108.800 -0.057 0.000 2.975 448 G HA2 0.346 4.306 3.960 -0.000 0.000 0.291 448 G HA3 0.346 4.306 3.960 -0.000 0.000 0.291 448 G C -1.203 173.685 174.900 -0.020 0.000 1.334 448 G CA -0.928 44.156 45.100 -0.027 0.000 0.843 448 G HN -0.118 nan 8.290 nan 0.000 0.548 449 K N 0.853 121.252 120.400 -0.003 0.000 2.416 449 K HA 0.250 4.570 4.320 -0.000 0.000 0.283 449 K C -0.118 176.490 176.600 0.014 0.000 1.037 449 K CA 0.028 56.321 56.287 0.010 0.000 0.995 449 K CB 0.900 33.408 32.500 0.014 0.000 0.938 449 K HN 0.571 nan 8.250 nan 0.000 0.475 450 D N 1.824 122.238 120.400 0.023 0.000 2.423 450 D HA 0.008 4.648 4.640 -0.000 0.000 0.238 450 D C 0.191 176.518 176.300 0.044 0.000 1.142 450 D CA 0.084 54.107 54.000 0.039 0.000 0.884 450 D CB 0.957 41.785 40.800 0.047 0.000 1.199 450 D HN 0.161 nan 8.370 nan 0.000 0.438 451 V N 3.708 123.655 119.914 0.056 0.000 3.180 451 V HA 0.116 4.236 4.120 -0.000 0.000 0.246 451 V C 1.566 177.679 176.094 0.033 0.000 1.545 451 V CA 0.053 62.378 62.300 0.042 0.000 1.138 451 V CB -0.513 31.337 31.823 0.046 0.000 0.978 451 V HN 0.689 nan 8.190 nan 0.000 0.437 452 L N 0.425 121.668 121.223 0.034 0.000 1.994 452 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 452 L C 2.828 179.691 176.870 -0.012 0.000 1.071 452 L CA 2.293 57.115 54.840 -0.029 0.000 0.745 452 L CB -0.406 41.599 42.059 -0.091 0.000 0.892 452 L HN 0.297 nan 8.230 nan 0.000 0.431 453 R N -0.456 120.056 120.500 0.021 0.000 2.083 453 R HA -0.232 4.108 4.340 -0.000 0.000 0.237 453 R C 2.169 178.526 176.300 0.095 0.000 1.137 453 R CA 1.591 57.721 56.100 0.049 0.000 0.951 453 R CB -0.331 29.998 30.300 0.049 0.000 0.851 453 R HN 0.248 nan 8.270 nan 0.000 0.434 454 E N 0.201 120.457 120.200 0.094 0.000 2.058 454 E HA -0.135 4.215 4.350 -0.000 0.000 0.194 454 E C 1.790 178.490 176.600 0.168 0.000 0.997 454 E CA 1.912 58.389 56.400 0.129 0.000 0.801 454 E CB -0.140 29.611 29.700 0.086 0.000 0.746 454 E HN 0.182 nan 8.360 nan 0.000 0.450 455 T N 0.394 115.011 114.554 0.105 0.000 2.777 455 T HA -0.058 4.292 4.350 -0.000 0.000 0.266 455 T C 1.923 176.732 174.700 0.181 0.000 1.040 455 T CA 1.313 63.481 62.100 0.113 0.000 1.141 455 T CB -0.225 68.649 68.868 0.010 0.000 0.868 455 T HN 0.142 nan 8.240 nan 0.000 0.444 456 I N 0.712 121.352 120.570 0.117 0.000 2.226 456 I HA -0.167 4.003 4.170 -0.000 0.000 0.245 456 I C 2.552 178.867 176.117 0.330 0.000 1.100 456 I CA 1.308 62.708 61.300 0.165 0.000 1.374 456 I CB -0.299 37.779 38.000 0.128 0.000 1.057 456 I HN 0.184 nan 8.210 nan 0.000 0.413 457 K N 0.305 120.890 120.400 0.308 0.000 2.057 457 K HA -0.217 4.103 4.320 -0.000 0.000 0.207 457 K C 2.135 179.005 176.600 0.449 0.000 1.049 457 K CA 1.660 58.199 56.287 0.419 0.000 0.931 457 K CB -0.323 32.404 32.500 0.378 0.000 0.714 457 K HN 0.193 nan 8.250 nan 0.000 0.440 458 F N 1.639 121.774 119.950 0.309 0.000 2.102 458 F HA -0.213 4.314 4.527 0.000 0.000 0.298 458 F C 2.090 178.092 175.800 0.336 0.000 1.105 458 F CA 1.354 59.596 58.000 0.403 0.000 1.239 458 F CB -0.056 39.119 39.000 0.291 0.000 0.991 458 F HN -0.092 nan 8.300 nan 0.000 0.474 459 M N -0.881 118.851 119.600 0.219 0.000 2.159 459 M HA -0.209 4.271 4.480 -0.000 0.000 0.263 459 M C 1.318 177.459 176.300 -0.264 0.000 1.063 459 M CA 1.538 56.801 55.300 -0.061 0.000 1.110 459 M CB -1.541 31.009 32.600 -0.083 0.000 1.374 459 M HN 0.242 nan 8.290 nan 0.000 0.411 460 Y N -0.095 120.237 120.300 0.053 0.000 2.583 460 Y HA 0.156 4.706 4.550 -0.000 0.000 0.294 460 Y C 0.364 176.234 175.900 -0.049 0.000 1.170 460 Y CA -0.112 58.046 58.100 0.096 0.000 1.265 460 Y CB -0.016 38.612 38.460 0.280 0.000 1.119 460 Y HN -0.041 nan 8.280 nan 0.000 0.522 461 T N 0.410 114.790 114.554 -0.289 0.000 2.771 461 T HA 0.073 4.423 4.350 -0.000 0.000 0.281 461 T C -0.743 173.428 174.700 -0.882 0.000 0.982 461 T CA -0.688 60.945 62.100 -0.779 0.000 0.978 461 T CB 0.885 68.983 68.868 -1.284 0.000 0.930 461 T HN 0.010 nan 8.240 nan 0.000 0.447 462 D N 2.285 122.285 120.400 -0.667 0.000 2.422 462 D HA 0.125 4.765 4.640 -0.000 0.000 0.227 462 D C 0.223 176.226 176.300 -0.495 0.000 1.190 462 D CA -0.675 53.058 54.000 -0.445 0.000 0.905 462 D CB 0.315 40.958 40.800 -0.262 0.000 1.034 462 D HN 0.609 nan 8.370 nan 0.000 0.507 463 W N 2.702 123.869 121.300 -0.221 0.000 2.525 463 W HA -0.003 4.657 4.660 0.000 0.000 0.259 463 W C 2.092 178.522 176.519 -0.148 0.000 1.253 463 W CA 0.319 57.548 57.345 -0.194 0.000 1.262 463 W CB 0.110 29.461 29.460 -0.182 0.000 1.122 463 W HN 0.549 nan 8.180 nan 0.000 0.607 464 A N -0.502 122.337 122.820 0.031 0.000 2.251 464 A HA 0.034 4.354 4.320 -0.000 0.000 0.209 464 A C 0.318 177.883 177.584 -0.032 0.000 1.187 464 A CA 1.175 53.220 52.037 0.014 0.000 0.823 464 A CB -0.100 18.907 19.000 0.011 0.000 0.846 464 A HN 0.136 nan 8.150 nan 0.000 0.486 465 D N -1.084 119.255 120.400 -0.102 0.000 3.629 465 D HA 0.021 4.661 4.640 -0.000 0.000 0.306 465 D C 1.045 177.209 176.300 -0.227 0.000 1.431 465 D CA -0.106 53.825 54.000 -0.116 0.000 0.748 465 D CB -0.214 40.539 40.800 -0.078 0.000 1.315 465 D HN 0.371 nan 8.370 nan 0.000 0.667 466 R N -0.435 119.850 120.500 -0.359 0.000 2.285 466 R HA -0.027 4.313 4.340 -0.000 0.000 0.213 466 R C 0.439 176.459 176.300 -0.467 0.000 1.068 466 R CA 0.928 56.724 56.100 -0.508 0.000 1.004 466 R CB -0.309 29.667 30.300 -0.539 0.000 0.873 466 R HN 0.250 nan 8.270 nan 0.000 0.467 467 H N -0.263 118.743 119.070 -0.108 0.000 2.592 467 H HA 0.131 4.687 4.556 -0.000 0.000 0.265 467 H C 0.032 175.305 175.328 -0.091 0.000 0.955 467 H CA -0.246 55.752 56.048 -0.084 0.000 1.175 467 H CB 0.025 29.760 29.762 -0.045 0.000 1.433 467 H HN 0.143 nan 8.280 nan 0.000 0.537 468 N N 2.793 121.479 118.700 -0.023 0.000 2.405 468 N HA -0.001 4.739 4.740 -0.000 0.000 0.260 468 N C -1.865 173.591 175.510 -0.089 0.000 1.152 468 N CA -1.381 51.642 53.050 -0.045 0.000 0.948 468 N CB 1.625 40.080 38.487 -0.054 0.000 1.111 468 N HN 0.019 nan 8.380 nan 0.000 0.485 469 P HA -0.045 nan 4.420 nan 0.000 0.221 469 P C 0.563 177.788 177.300 -0.125 0.000 1.150 469 P CA 1.090 64.134 63.100 -0.094 0.000 0.800 469 P CB 0.454 32.112 31.700 -0.070 0.000 0.787 470 E N -1.178 118.948 120.200 -0.123 0.000 2.158 470 E HA -0.072 4.278 4.350 -0.000 0.000 0.191 470 E C 1.663 178.182 176.600 -0.135 0.000 0.982 470 E CA 1.166 57.469 56.400 -0.162 0.000 0.823 470 E CB -0.575 29.050 29.700 -0.125 0.000 0.766 470 E HN 0.232 nan 8.360 nan 0.000 0.468 471 T N 0.964 115.454 114.554 -0.106 0.000 2.821 471 T HA -0.136 4.214 4.350 -0.000 0.000 0.267 471 T C 1.830 176.464 174.700 -0.109 0.000 1.046 471 T CA 0.961 63.004 62.100 -0.094 0.000 1.139 471 T CB -0.089 68.713 68.868 -0.110 0.000 0.871 471 T HN 0.086 nan 8.240 nan 0.000 0.454 472 R N 0.854 121.263 120.500 -0.151 0.000 2.096 472 R HA -0.012 4.328 4.340 -0.000 0.000 0.235 472 R C 2.649 178.943 176.300 -0.010 0.000 1.127 472 R CA 1.123 57.126 56.100 -0.161 0.000 0.968 472 R CB -0.108 30.070 30.300 -0.204 0.000 0.861 472 R HN 0.237 nan 8.270 nan 0.000 0.440 473 R N 0.877 121.330 120.500 -0.078 0.000 2.073 473 R HA -0.157 4.183 4.340 -0.000 0.000 0.234 473 R C 1.788 178.068 176.300 -0.033 0.000 1.134 473 R CA 1.877 57.910 56.100 -0.112 0.000 0.952 473 R CB -0.047 30.050 30.300 -0.339 0.000 0.850 473 R HN 0.173 nan 8.270 nan 0.000 0.433 474 K N -0.310 120.073 120.400 -0.029 0.000 2.026 474 K HA -0.117 4.203 4.320 -0.000 0.000 0.208 474 K C 2.173 178.852 176.600 0.133 0.000 1.048 474 K CA 2.088 58.409 56.287 0.056 0.000 0.929 474 K CB -0.278 32.250 32.500 0.047 0.000 0.713 474 K HN 0.436 nan 8.250 nan 0.000 0.439 475 T N 0.278 114.917 114.554 0.143 0.000 2.867 475 T HA -0.107 4.243 4.350 -0.000 0.000 0.268 475 T C 1.906 176.811 174.700 0.343 0.000 1.057 475 T CA 0.740 63.002 62.100 0.270 0.000 1.136 475 T CB -0.221 68.782 68.868 0.227 0.000 0.874 475 T HN 0.040 nan 8.240 nan 0.000 0.466 476 L N 0.662 122.076 121.223 0.318 0.000 2.056 476 L HA 0.282 4.622 4.340 -0.000 0.000 0.207 476 L C 2.392 179.383 176.870 0.202 0.000 1.078 476 L CA 1.360 56.346 54.840 0.242 0.000 0.749 476 L CB -0.864 41.333 42.059 0.230 0.000 0.901 476 L HN 0.350 nan 8.230 nan 0.000 0.433 477 L N -0.844 120.509 121.223 0.215 0.000 2.083 477 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 477 L C 2.475 179.473 176.870 0.213 0.000 1.083 477 L CA 1.449 56.440 54.840 0.251 0.000 0.752 477 L CB -0.410 41.786 42.059 0.228 0.000 0.899 477 L HN 0.362 nan 8.230 nan 0.000 0.433 478 A N -0.232 122.713 122.820 0.207 0.000 1.933 478 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 478 A C 2.249 179.938 177.584 0.175 0.000 1.175 478 A CA 1.801 53.984 52.037 0.243 0.000 0.628 478 A CB -0.819 18.382 19.000 0.336 0.000 0.814 478 A HN 0.548 nan 8.150 nan 0.000 0.444 479 L N -2.024 119.146 121.223 -0.089 0.000 1.989 479 L HA -0.173 4.167 4.340 -0.000 0.000 0.211 479 L C 2.384 179.022 176.870 -0.387 0.000 1.071 479 L CA 2.203 56.702 54.840 -0.568 0.000 0.749 479 L CB -0.331 41.220 42.059 -0.847 0.000 0.890 479 L HN 0.420 nan 8.230 nan 0.000 0.431 480 F N 0.274 119.864 119.950 -0.599 0.000 2.146 480 F HA -0.207 4.320 4.527 -0.000 0.000 0.298 480 F C 2.374 178.017 175.800 -0.261 0.000 1.096 480 F CA 2.065 59.556 58.000 -0.849 0.000 1.275 480 F CB -0.477 37.865 39.000 -1.097 0.000 1.008 480 F HN 0.038 nan 8.300 nan 0.000 0.480 481 T N -0.108 114.517 114.554 0.118 0.000 2.708 481 T HA -0.181 4.169 4.350 -0.000 0.000 0.266 481 T C 1.487 176.298 174.700 0.185 0.000 1.037 481 T CA 1.668 63.928 62.100 0.267 0.000 1.146 481 T CB -0.387 68.609 68.868 0.213 0.000 0.865 481 T HN 0.205 nan 8.240 nan 0.000 0.435 482 D N 0.137 120.609 120.400 0.120 0.000 2.097 482 D HA -0.117 4.523 4.640 -0.000 0.000 0.195 482 D C 1.948 178.157 176.300 -0.152 0.000 0.989 482 D CA 1.037 55.115 54.000 0.130 0.000 0.827 482 D CB -0.455 40.570 40.800 0.375 0.000 0.966 482 D HN 0.411 nan 8.370 nan 0.000 0.456 483 H N 0.493 119.237 119.070 -0.543 0.000 2.333 483 H HA 0.002 4.558 4.556 -0.000 0.000 0.302 483 H C 1.691 176.581 175.328 -0.729 0.000 1.075 483 H CA 1.127 56.641 56.048 -0.889 0.000 1.348 483 H CB 0.515 29.627 29.762 -1.082 0.000 1.393 483 H HN 0.057 nan 8.280 nan 0.000 0.509 484 Q N -1.262 118.132 119.800 -0.678 0.000 2.354 484 Q HA -0.054 4.286 4.340 -0.000 0.000 0.203 484 Q C 1.829 177.346 176.000 -0.804 0.000 0.933 484 Q CA 0.561 55.756 55.803 -1.013 0.000 0.901 484 Q CB 0.440 28.150 28.738 -1.712 0.000 1.007 484 Q HN 0.617 nan 8.270 nan 0.000 0.495 485 W N -1.008 120.141 121.300 -0.252 0.000 3.772 485 W HA 0.104 4.764 4.660 0.000 0.000 0.224 485 W C 1.856 178.366 176.519 -0.015 0.000 1.009 485 W CA 0.040 57.334 57.345 -0.086 0.000 1.889 485 W CB -0.110 29.345 29.460 -0.007 0.000 0.909 485 W HN -0.178 nan 8.180 nan 0.000 0.794 486 V N 1.528 121.610 119.914 0.279 0.000 2.270 486 V HA -0.248 3.872 4.120 -0.000 0.000 0.245 486 V C 2.524 178.734 176.094 0.193 0.000 1.043 486 V CA 2.696 65.172 62.300 0.294 0.000 1.014 486 V CB -1.637 30.387 31.823 0.336 0.000 0.645 486 V HN 0.081 nan 8.190 nan 0.000 0.447 487 A N 0.767 123.630 122.820 0.071 0.000 1.883 487 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 487 A C 0.631 178.219 177.584 0.007 0.000 1.186 487 A CA 2.313 54.370 52.037 0.034 0.000 0.624 487 A CB -1.980 16.981 19.000 -0.065 0.000 0.822 487 A HN 0.557 nan 8.150 nan 0.000 0.444 488 P HA -0.060 nan 4.420 nan 0.000 0.217 488 P C 1.691 179.016 177.300 0.043 0.000 1.150 488 P CA 1.772 64.839 63.100 -0.054 0.000 0.832 488 P CB -0.090 31.523 31.700 -0.146 0.000 0.787 489 A N -0.589 122.299 122.820 0.112 0.000 1.898 489 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 489 A C 2.306 180.051 177.584 0.268 0.000 1.181 489 A CA 1.664 53.820 52.037 0.198 0.000 0.620 489 A CB -1.659 17.494 19.000 0.254 0.000 0.819 489 A HN 0.020 nan 8.150 nan 0.000 0.442 490 V N -0.120 119.919 119.914 0.209 0.000 2.358 490 V HA -0.214 3.906 4.120 -0.000 0.000 0.246 490 V C 3.040 179.194 176.094 0.101 0.000 1.047 490 V CA 1.800 64.146 62.300 0.077 0.000 1.035 490 V CB -1.179 30.676 31.823 0.054 0.000 0.658 490 V HN 0.603 nan 8.190 nan 0.000 0.452 491 A N -0.226 122.652 122.820 0.098 0.000 1.933 491 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 491 A C 2.400 180.048 177.584 0.107 0.000 1.175 491 A CA 2.534 54.629 52.037 0.095 0.000 0.628 491 A CB -0.917 18.121 19.000 0.064 0.000 0.814 491 A HN 0.502 nan 8.150 nan 0.000 0.444 492 T N 0.140 114.753 114.554 0.098 0.000 2.737 492 T HA 0.027 4.377 4.350 -0.000 0.000 0.265 492 T C 2.251 177.041 174.700 0.151 0.000 1.038 492 T CA 1.512 63.676 62.100 0.105 0.000 1.144 492 T CB -0.427 68.499 68.868 0.096 0.000 0.866 492 T HN 0.590 nan 8.240 nan 0.000 0.434 493 A N 1.942 124.824 122.820 0.104 0.000 1.902 493 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 493 A C 2.115 179.807 177.584 0.179 0.000 1.181 493 A CA 1.715 53.751 52.037 -0.001 0.000 0.623 493 A CB -0.672 18.063 19.000 -0.442 0.000 0.818 493 A HN 0.329 nan 8.150 nan 0.000 0.443 494 D N 0.066 120.612 120.400 0.244 0.000 2.104 494 D HA -0.125 4.515 4.640 -0.000 0.000 0.194 494 D C 1.932 178.382 176.300 0.250 0.000 0.994 494 D CA 1.131 55.312 54.000 0.301 0.000 0.830 494 D CB -0.337 40.591 40.800 0.214 0.000 0.959 494 D HN 0.447 nan 8.370 nan 0.000 0.452 495 L N 0.024 121.390 121.223 0.239 0.000 2.093 495 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 495 L C 2.535 179.675 176.870 0.450 0.000 1.085 495 L CA 0.891 55.928 54.840 0.328 0.000 0.755 495 L CB -0.331 41.911 42.059 0.305 0.000 0.904 495 L HN 0.172 nan 8.230 nan 0.000 0.435 496 H N -0.199 119.047 119.070 0.294 0.000 2.321 496 H HA -0.127 4.429 4.556 0.000 0.000 0.300 496 H C 2.591 178.117 175.328 0.331 0.000 1.087 496 H CA 1.954 58.169 56.048 0.278 0.000 1.319 496 H CB -0.048 29.742 29.762 0.046 0.000 1.379 496 H HN 0.393 nan 8.280 nan 0.000 0.501 497 S N 0.841 116.769 115.700 0.381 0.000 2.368 497 S HA -0.123 4.347 4.470 -0.000 0.000 0.224 497 S C 1.876 176.595 174.600 0.198 0.000 1.029 497 S CA 1.084 59.452 58.200 0.280 0.000 0.988 497 S CB -0.173 63.206 63.200 0.298 0.000 0.838 497 S HN 0.336 nan 8.310 nan 0.000 0.462 498 N N 1.394 120.187 118.700 0.155 0.000 2.149 498 N HA 0.010 4.750 4.740 -0.000 0.000 0.188 498 N C 0.716 176.142 175.510 -0.141 0.000 1.019 498 N CA 1.067 54.093 53.050 -0.042 0.000 0.857 498 N CB -0.586 37.804 38.487 -0.161 0.000 0.997 498 N HN 0.501 nan 8.380 nan 0.000 0.426 499 F N -0.315 119.738 119.950 0.171 0.000 2.692 499 F HA 0.292 4.819 4.527 -0.000 0.000 0.303 499 F C 1.677 177.559 175.800 0.137 0.000 1.114 499 F CA 0.130 58.203 58.000 0.121 0.000 1.361 499 F CB -0.008 39.040 39.000 0.079 0.000 1.063 499 F HN 0.081 nan 8.300 nan 0.000 0.550 500 G N -0.383 108.574 108.800 0.262 0.000 2.175 500 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.244 500 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.244 500 G C 0.292 175.328 174.900 0.227 0.000 0.982 500 G CA 0.102 45.322 45.100 0.200 0.000 0.641 500 G HN 0.220 nan 8.290 nan 0.000 0.527 501 S N 2.217 118.118 115.700 0.336 0.000 2.505 501 S HA 0.479 4.949 4.470 -0.000 0.000 0.276 501 S C -2.164 172.556 174.600 0.199 0.000 1.274 501 S CA -0.670 57.718 58.200 0.312 0.000 1.053 501 S CB 1.471 64.962 63.200 0.484 0.000 0.919 501 S HN 0.198 nan 8.310 nan 0.000 0.490 502 P HA 0.162 nan 4.420 nan 0.000 0.265 502 P C -0.723 176.622 177.300 0.076 0.000 1.222 502 P CA 0.168 63.326 63.100 0.097 0.000 0.767 502 P CB 0.334 32.127 31.700 0.155 0.000 0.801 503 T N 3.796 118.303 114.554 -0.078 0.000 2.863 503 T HA 0.527 4.877 4.350 -0.000 0.000 0.285 503 T C -0.890 173.583 174.700 -0.379 0.000 1.009 503 T CA -0.243 61.804 62.100 -0.090 0.000 0.989 503 T CB 0.687 69.586 68.868 0.051 0.000 1.004 503 T HN 0.103 nan 8.240 nan 0.000 0.455 504 Y N 1.216 121.460 120.300 -0.093 0.000 2.406 504 Y HA 0.661 5.211 4.550 0.000 0.000 0.340 504 Y C -0.763 175.195 175.900 0.096 0.000 0.975 504 Y CA -1.220 56.789 58.100 -0.151 0.000 1.056 504 Y CB 1.634 39.575 38.460 -0.866 0.000 1.210 504 Y HN 0.654 nan 8.280 nan 0.000 0.448 505 F N 4.663 124.884 119.950 0.452 0.000 2.532 505 F HA 0.663 5.190 4.527 -0.000 0.000 0.321 505 F C -1.242 174.926 175.800 0.613 0.000 1.089 505 F CA -1.287 56.909 58.000 0.327 0.000 0.926 505 F CB 1.208 40.230 39.000 0.036 0.000 1.168 505 F HN 0.448 nan 8.300 nan 0.000 0.459 506 Y N 2.309 122.685 120.300 0.126 0.000 2.581 506 Y HA 0.894 5.444 4.550 0.000 0.000 0.345 506 Y C -1.706 174.181 175.900 -0.021 0.000 1.036 506 Y CA -1.716 56.454 58.100 0.117 0.000 1.042 506 Y CB 1.291 39.763 38.460 0.020 0.000 1.289 506 Y HN 0.744 nan 8.280 nan 0.000 0.471 507 A N 2.630 125.597 122.820 0.244 0.000 2.335 507 A HA 0.621 4.941 4.320 -0.000 0.000 0.304 507 A C -2.171 175.638 177.584 0.375 0.000 1.118 507 A CA -0.504 51.583 52.037 0.083 0.000 0.757 507 A CB 0.364 19.230 19.000 -0.224 0.000 1.188 507 A HN 0.717 nan 8.150 nan 0.000 0.460 508 F N 2.971 123.117 119.950 0.326 0.000 2.390 508 F HA 0.494 5.021 4.527 -0.000 0.000 0.361 508 F C -0.582 175.338 175.800 0.200 0.000 1.124 508 F CA 0.023 58.164 58.000 0.235 0.000 1.149 508 F CB 0.684 39.802 39.000 0.196 0.000 1.160 508 F HN 0.588 nan 8.300 nan 0.000 0.501 509 Y N 4.727 124.837 120.300 -0.317 0.000 2.685 509 Y HA 0.258 4.808 4.550 -0.000 0.000 0.339 509 Y C -0.358 175.508 175.900 -0.057 0.000 0.961 509 Y CA -0.624 57.394 58.100 -0.137 0.000 1.330 509 Y CB -0.465 37.886 38.460 -0.180 0.000 1.269 509 Y HN 0.579 nan 8.280 nan 0.000 0.566 510 H N -0.144 118.813 119.070 -0.187 0.000 3.037 510 H HA 0.554 5.110 4.556 -0.000 0.000 0.355 510 H C -1.040 174.418 175.328 0.217 0.000 1.263 510 H CA -0.833 55.169 56.048 -0.076 0.000 1.129 510 H CB 1.355 30.883 29.762 -0.391 0.000 1.861 510 H HN 0.238 nan 8.280 nan 0.000 0.546 511 H N 0.866 119.592 119.070 -0.573 0.000 2.904 511 H HA 0.299 4.855 4.556 0.000 0.000 0.290 511 H C -1.522 173.736 175.328 -0.118 0.000 1.437 511 H CA -0.836 55.176 56.048 -0.060 0.000 1.147 511 H CB 0.406 30.214 29.762 0.077 0.000 1.824 511 H HN 0.720 nan 8.280 nan 0.000 0.505 512 c N 2.134 120.734 118.600 0.000 0.000 2.301 512 c HA 0.371 4.941 4.570 -0.000 0.000 0.323 512 c C -0.237 173.751 174.090 -0.171 0.000 1.265 512 c CA -0.232 56.006 56.329 -0.151 0.000 1.503 512 c CB -0.014 42.470 42.510 -0.043 0.000 2.195 512 c HN 0.660 nan 8.230 nan 0.000 0.477 513 Q N 4.054 123.699 119.800 -0.258 0.000 2.293 513 Q HA 0.297 4.637 4.340 -0.000 0.000 0.263 513 Q C 0.813 176.745 176.000 -0.114 0.000 1.002 513 Q CA 0.244 55.977 55.803 -0.118 0.000 0.910 513 Q CB 1.311 29.981 28.738 -0.113 0.000 1.185 513 Q HN 0.890 nan 8.270 nan 0.000 0.401 514 T N -1.713 112.797 114.554 -0.073 0.000 2.824 514 T HA 0.097 4.447 4.350 -0.000 0.000 0.277 514 T C 0.603 175.260 174.700 -0.072 0.000 0.975 514 T CA -0.575 61.474 62.100 -0.085 0.000 0.966 514 T CB 0.654 69.491 68.868 -0.051 0.000 1.054 514 T HN 0.605 nan 8.240 nan 0.000 0.533 515 D N -0.798 119.562 120.400 -0.067 0.000 2.336 515 D HA 0.016 4.656 4.640 -0.000 0.000 0.229 515 D C 1.393 177.662 176.300 -0.052 0.000 1.061 515 D CA 0.145 54.111 54.000 -0.058 0.000 0.875 515 D CB -0.050 40.720 40.800 -0.051 0.000 0.904 515 D HN 0.368 nan 8.370 nan 0.000 0.525 516 Q N 0.163 119.933 119.800 -0.050 0.000 2.352 516 Q HA 0.153 4.493 4.340 -0.000 0.000 0.212 516 Q C 0.752 176.716 176.000 -0.060 0.000 0.888 516 Q CA 0.179 55.956 55.803 -0.043 0.000 0.934 516 Q CB 1.123 29.843 28.738 -0.028 0.000 1.093 516 Q HN 0.473 nan 8.270 nan 0.000 0.523 517 V N -1.113 118.753 119.914 -0.080 0.000 2.732 517 V HA 0.630 4.750 4.120 -0.000 0.000 0.310 517 V C -2.634 173.321 176.094 -0.232 0.000 1.053 517 V CA -2.714 59.503 62.300 -0.140 0.000 0.957 517 V CB 1.163 32.923 31.823 -0.103 0.000 1.018 517 V HN -0.150 nan 8.190 nan 0.000 0.452 518 P HA 0.286 nan 4.420 nan 0.000 0.268 518 P C 0.686 177.641 177.300 -0.575 0.000 1.205 518 P CA 0.326 63.031 63.100 -0.658 0.000 0.771 518 P CB 0.993 31.818 31.700 -1.458 0.000 0.858 519 A N 3.515 126.136 122.820 -0.331 0.000 2.070 519 A HA -0.121 4.199 4.320 -0.000 0.000 0.220 519 A C 1.526 179.090 177.584 -0.035 0.000 1.159 519 A CA 0.938 52.903 52.037 -0.121 0.000 0.656 519 A CB -1.125 17.873 19.000 -0.003 0.000 0.800 519 A HN 0.839 nan 8.150 nan 0.000 0.453 520 W N -1.399 119.936 121.300 0.058 0.000 3.139 520 W HA 0.566 5.226 4.660 0.000 0.000 0.260 520 W C 0.495 177.052 176.519 0.063 0.000 1.312 520 W CA -0.126 57.255 57.345 0.059 0.000 1.606 520 W CB -0.767 28.720 29.460 0.045 0.000 1.118 520 W HN 0.347 nan 8.180 nan 0.000 0.675 521 A N 2.524 125.222 122.820 -0.204 0.000 2.425 521 A HA 0.229 4.548 4.320 -0.000 0.000 0.249 521 A C 0.034 177.602 177.584 -0.026 0.000 1.084 521 A CA 0.024 51.984 52.037 -0.129 0.000 0.781 521 A CB 0.428 19.146 19.000 -0.470 0.000 1.019 521 A HN 0.102 nan 8.150 nan 0.000 0.490 522 D N 0.308 120.661 120.400 -0.079 0.000 2.529 522 D HA 0.495 5.135 4.640 -0.000 0.000 0.273 522 D C 0.535 176.439 176.300 -0.660 0.000 1.197 522 D CA 0.244 54.078 54.000 -0.277 0.000 1.070 522 D CB 1.034 41.761 40.800 -0.122 0.000 1.134 522 D HN 0.727 nan 8.370 nan 0.000 0.590 523 A N 0.022 122.391 122.820 -0.752 0.000 2.573 523 A HA 0.397 4.717 4.320 -0.000 0.000 0.250 523 A C 0.227 177.671 177.584 -0.234 0.000 1.049 523 A CA 0.370 52.118 52.037 -0.480 0.000 0.767 523 A CB -0.391 18.564 19.000 -0.075 0.000 0.965 523 A HN 0.509 nan 8.150 nan 0.000 0.514 524 A N 2.135 124.867 122.820 -0.146 0.000 2.263 524 A HA 0.598 4.918 4.320 -0.000 0.000 0.318 524 A C 0.144 177.701 177.584 -0.045 0.000 1.111 524 A CA -0.565 51.425 52.037 -0.078 0.000 0.901 524 A CB -0.013 18.967 19.000 -0.033 0.000 1.280 524 A HN 1.100 nan 8.150 nan 0.000 0.503 525 H N -0.753 118.205 119.070 -0.186 0.000 3.070 525 H HA 0.347 4.903 4.556 0.000 0.000 0.313 525 H C 1.380 176.699 175.328 -0.015 0.000 0.997 525 H CA 1.619 57.542 56.048 -0.209 0.000 1.438 525 H CB 0.143 29.760 29.762 -0.241 0.000 1.455 525 H HN 1.493 nan 8.280 nan 0.000 0.575 526 G N 4.406 112.974 108.800 -0.387 0.000 2.217 526 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.246 526 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.246 526 G C 1.189 176.219 174.900 0.216 0.000 0.990 526 G CA 0.422 45.489 45.100 -0.055 0.000 0.627 526 G HN 0.638 nan 8.290 nan 0.000 0.522 527 D N 1.013 121.489 120.400 0.126 0.000 2.309 527 D HA -0.014 4.626 4.640 -0.000 0.000 0.212 527 D C 2.402 178.748 176.300 0.076 0.000 0.968 527 D CA 1.299 55.410 54.000 0.185 0.000 0.882 527 D CB 0.022 40.948 40.800 0.209 0.000 0.918 527 D HN 0.748 nan 8.370 nan 0.000 0.503 528 E N 0.675 120.738 120.200 -0.228 0.000 2.299 528 E HA -0.065 4.285 4.350 -0.000 0.000 0.193 528 E C 1.990 178.379 176.600 -0.352 0.000 0.998 528 E CA 0.256 56.250 56.400 -0.678 0.000 0.851 528 E CB -0.537 28.464 29.700 -1.166 0.000 0.795 528 E HN 0.073 nan 8.360 nan 0.000 0.492 529 V N 2.346 122.136 119.914 -0.207 0.000 2.250 529 V HA -0.225 3.895 4.120 -0.000 0.000 0.250 529 V C -0.443 175.329 176.094 -0.537 0.000 1.060 529 V CA 2.593 64.739 62.300 -0.257 0.000 1.030 529 V CB -1.671 30.106 31.823 -0.076 0.000 0.643 529 V HN 0.279 nan 8.190 nan 0.000 0.445 530 P HA -0.146 nan 4.420 nan 0.000 0.218 530 P C 1.258 178.009 177.300 -0.915 0.000 1.148 530 P CA 1.540 63.950 63.100 -1.150 0.000 0.822 530 P CB -0.111 30.858 31.700 -1.218 0.000 0.784 531 Y N -1.137 118.857 120.300 -0.510 0.000 2.220 531 Y HA -0.113 4.437 4.550 -0.000 0.000 0.291 531 Y C 2.420 178.017 175.900 -0.505 0.000 1.129 531 Y CA 0.801 58.644 58.100 -0.428 0.000 1.161 531 Y CB -1.425 36.923 38.460 -0.187 0.000 0.997 531 Y HN -0.275 nan 8.280 nan 0.000 0.522 532 V N 0.254 119.913 119.914 -0.424 0.000 2.490 532 V HA -0.266 3.854 4.120 -0.000 0.000 0.250 532 V C 1.924 177.802 176.094 -0.361 0.000 1.061 532 V CA 1.568 63.551 62.300 -0.528 0.000 1.064 532 V CB -0.587 30.944 31.823 -0.486 0.000 0.670 532 V HN 0.408 nan 8.190 nan 0.000 0.461 533 L N 0.045 121.035 121.223 -0.388 0.000 2.591 533 L HA 0.280 4.620 4.340 -0.000 0.000 0.228 533 L C 1.732 178.374 176.870 -0.378 0.000 1.133 533 L CA 0.785 55.417 54.840 -0.347 0.000 0.880 533 L CB -0.504 41.317 42.059 -0.397 0.000 1.033 533 L HN 0.542 nan 8.230 nan 0.000 0.450 534 G N 0.365 108.893 108.800 -0.454 0.000 2.160 534 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.251 534 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.251 534 G C 0.878 175.478 174.900 -0.501 0.000 1.008 534 G CA 0.273 45.092 45.100 -0.467 0.000 0.724 534 G HN 0.203 nan 8.290 nan 0.000 0.514 535 I N 0.678 120.869 120.570 -0.631 0.000 2.248 535 I HA -0.132 4.038 4.170 -0.000 0.000 0.248 535 I C 0.440 176.140 176.117 -0.695 0.000 1.107 535 I CA 1.837 62.763 61.300 -0.623 0.000 1.373 535 I CB -2.023 35.516 38.000 -0.768 0.000 1.055 535 I HN 0.153 nan 8.210 nan 0.000 0.418 536 P HA -0.134 nan 4.420 nan 0.000 0.219 536 P C 2.001 179.080 177.300 -0.369 0.000 1.146 536 P CA 1.196 63.779 63.100 -0.861 0.000 0.808 536 P CB -0.090 31.109 31.700 -0.835 0.000 0.779 537 M N -1.175 118.217 119.600 -0.346 0.000 2.279 537 M HA -0.055 4.425 4.480 -0.000 0.000 0.264 537 M C 1.822 178.038 176.300 -0.140 0.000 1.062 537 M CA 1.532 56.701 55.300 -0.219 0.000 1.099 537 M CB -1.101 31.355 32.600 -0.238 0.000 1.394 537 M HN 0.113 nan 8.290 nan 0.000 0.426 538 I N -2.777 117.703 120.570 -0.149 0.000 3.974 538 I HA 0.536 4.706 4.170 -0.000 0.000 0.334 538 I C 0.741 176.837 176.117 -0.035 0.000 1.437 538 I CA -0.162 61.090 61.300 -0.079 0.000 1.113 538 I CB -0.459 37.496 38.000 -0.075 0.000 1.063 538 I HN 0.264 nan 8.210 nan 0.000 0.400 539 G N 2.207 110.995 108.800 -0.021 0.000 2.828 539 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.463 539 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.463 539 G C -2.838 172.156 174.900 0.157 0.000 1.394 539 G CA -0.916 44.230 45.100 0.078 0.000 0.862 539 G HN 0.267 nan 8.290 nan 0.000 0.540 540 P HA 0.315 nan 4.420 nan 0.000 0.264 540 P C 0.621 177.984 177.300 0.105 0.000 1.183 540 P CA 0.964 64.157 63.100 0.155 0.000 0.763 540 P CB 0.681 32.394 31.700 0.022 0.000 0.807 541 T N -1.743 112.888 114.554 0.127 0.000 2.927 541 T HA 0.320 4.670 4.350 -0.000 0.000 0.286 541 T C 1.035 175.753 174.700 0.030 0.000 1.040 541 T CA -0.666 61.481 62.100 0.078 0.000 1.010 541 T CB 1.400 70.331 68.868 0.105 0.000 1.177 541 T HN 0.337 nan 8.240 nan 0.000 0.546 542 E N -0.707 119.499 120.200 0.010 0.000 2.110 542 E HA -0.100 4.250 4.350 -0.000 0.000 0.193 542 E C 1.741 178.291 176.600 -0.083 0.000 0.988 542 E CA 0.755 57.144 56.400 -0.020 0.000 0.804 542 E CB -0.085 29.617 29.700 0.004 0.000 0.745 542 E HN 0.536 nan 8.360 nan 0.000 0.458 543 L N -0.387 120.744 121.223 -0.154 0.000 2.131 543 L HA 0.064 4.404 4.340 -0.000 0.000 0.206 543 L C 0.014 176.470 176.870 -0.691 0.000 1.087 543 L CA 1.301 55.864 54.840 -0.463 0.000 0.767 543 L CB 0.233 41.868 42.059 -0.708 0.000 0.917 543 L HN -0.001 nan 8.230 nan 0.000 0.441 544 F N 0.995 120.877 119.950 -0.114 0.000 2.453 544 F HA 0.413 4.939 4.527 -0.000 0.000 0.358 544 F C -1.639 174.122 175.800 -0.065 0.000 1.129 544 F CA -1.980 55.972 58.000 -0.081 0.000 1.200 544 F CB 0.558 39.524 39.000 -0.055 0.000 1.431 544 F HN -0.026 nan 8.300 nan 0.000 0.503 545 P HA -0.053 nan 4.420 nan 0.000 0.242 545 P C 0.762 177.947 177.300 -0.191 0.000 1.197 545 P CA 0.283 63.340 63.100 -0.072 0.000 0.765 545 P CB -0.016 31.642 31.700 -0.070 0.000 0.936 546 c N 1.986 120.369 118.600 -0.361 0.000 2.657 546 c HA 0.119 4.689 4.570 -0.000 0.000 0.420 546 c C 1.101 174.769 174.090 -0.704 0.000 1.323 546 c CA -0.308 55.676 56.329 -0.574 0.000 1.894 546 c CB -1.204 40.839 42.510 -0.777 0.000 2.681 546 c HN 0.223 nan 8.230 nan 0.000 0.613 547 N N 5.368 123.821 118.700 -0.413 0.000 2.739 547 N HA 0.137 4.877 4.740 -0.000 0.000 0.266 547 N C -0.626 174.754 175.510 -0.217 0.000 1.168 547 N CA 0.246 53.149 53.050 -0.246 0.000 1.055 547 N CB -0.106 38.306 38.487 -0.126 0.000 1.393 547 N HN 0.508 nan 8.380 nan 0.000 0.514 548 F N 0.836 120.762 119.950 -0.040 0.000 2.607 548 F HA -0.077 4.450 4.527 -0.000 0.000 0.374 548 F C 1.851 177.650 175.800 -0.002 0.000 1.104 548 F CA -0.212 57.769 58.000 -0.032 0.000 1.296 548 F CB 0.134 39.085 39.000 -0.082 0.000 1.085 548 F HN 0.186 nan 8.300 nan 0.000 0.584 549 S N 2.611 118.446 115.700 0.224 0.000 2.713 549 S HA 0.359 4.829 4.470 -0.000 0.000 0.277 549 S C 1.004 175.688 174.600 0.140 0.000 1.168 549 S CA -0.858 57.430 58.200 0.146 0.000 0.994 549 S CB 1.238 64.516 63.200 0.131 0.000 1.054 549 S HN 0.652 nan 8.310 nan 0.000 0.555 550 K N 0.446 120.906 120.400 0.100 0.000 2.097 550 K HA -0.046 4.274 4.320 -0.000 0.000 0.206 550 K C 1.713 178.366 176.600 0.089 0.000 1.049 550 K CA 1.168 57.505 56.287 0.083 0.000 0.933 550 K CB -0.337 32.204 32.500 0.069 0.000 0.717 550 K HN 0.469 nan 8.250 nan 0.000 0.442 551 N N 1.312 120.072 118.700 0.099 0.000 2.244 551 N HA -0.130 4.610 4.740 -0.000 0.000 0.183 551 N C 1.164 176.741 175.510 0.113 0.000 1.016 551 N CA 1.088 54.186 53.050 0.080 0.000 0.866 551 N CB -0.118 38.406 38.487 0.061 0.000 0.980 551 N HN 0.198 nan 8.380 nan 0.000 0.430 552 D N 0.309 120.849 120.400 0.233 0.000 2.144 552 D HA -0.058 4.582 4.640 -0.000 0.000 0.200 552 D C 2.037 178.436 176.300 0.164 0.000 0.978 552 D CA 0.534 54.763 54.000 0.382 0.000 0.833 552 D CB 0.015 41.101 40.800 0.478 0.000 0.961 552 D HN 0.013 nan 8.370 nan 0.000 0.470 553 V N 1.795 121.741 119.914 0.053 0.000 2.295 553 V HA -0.220 3.900 4.120 -0.000 0.000 0.246 553 V C 2.441 178.502 176.094 -0.055 0.000 1.049 553 V CA 1.197 63.462 62.300 -0.060 0.000 1.024 553 V CB -0.429 31.370 31.823 -0.039 0.000 0.648 553 V HN 0.245 nan 8.190 nan 0.000 0.447 554 M N -0.301 119.316 119.600 0.030 0.000 2.117 554 M HA -0.183 4.297 4.480 -0.000 0.000 0.262 554 M C 2.183 178.504 176.300 0.036 0.000 1.065 554 M CA 2.083 57.438 55.300 0.091 0.000 1.114 554 M CB -0.675 31.996 32.600 0.119 0.000 1.361 554 M HN 0.375 nan 8.290 nan 0.000 0.408 555 L N -0.303 120.920 121.223 -0.002 0.000 2.093 555 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 555 L C 2.568 179.375 176.870 -0.105 0.000 1.085 555 L CA 1.608 56.392 54.840 -0.093 0.000 0.755 555 L CB -0.359 41.599 42.059 -0.168 0.000 0.904 555 L HN 0.393 nan 8.230 nan 0.000 0.435 556 S N -0.638 115.058 115.700 -0.006 0.000 2.368 556 S HA -0.182 4.288 4.470 -0.000 0.000 0.225 556 S C 2.128 176.525 174.600 -0.338 0.000 1.030 556 S CA 1.210 59.341 58.200 -0.114 0.000 0.999 556 S CB -0.261 62.795 63.200 -0.240 0.000 0.844 556 S HN 0.601 nan 8.310 nan 0.000 0.459 557 A N 0.793 123.381 122.820 -0.388 0.000 1.902 557 A HA -0.016 4.304 4.320 -0.000 0.000 0.217 557 A C 2.340 179.764 177.584 -0.267 0.000 1.181 557 A CA 1.813 53.515 52.037 -0.558 0.000 0.623 557 A CB -1.065 17.574 19.000 -0.602 0.000 0.818 557 A HN 0.452 nan 8.150 nan 0.000 0.443 558 V N -0.454 119.330 119.914 -0.217 0.000 2.295 558 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 558 V C 2.589 178.482 176.094 -0.335 0.000 1.049 558 V CA 2.029 64.112 62.300 -0.363 0.000 1.024 558 V CB -0.746 30.638 31.823 -0.731 0.000 0.648 558 V HN 0.377 nan 8.190 nan 0.000 0.447 559 V N -0.560 119.195 119.914 -0.266 0.000 2.295 559 V HA -0.333 3.787 4.120 -0.000 0.000 0.246 559 V C 2.380 178.414 176.094 -0.100 0.000 1.049 559 V CA 2.401 64.591 62.300 -0.183 0.000 1.024 559 V CB -0.567 31.013 31.823 -0.405 0.000 0.648 559 V HN 0.459 nan 8.190 nan 0.000 0.447 560 M N -0.705 118.785 119.600 -0.184 0.000 2.213 560 M HA -0.170 4.310 4.480 -0.000 0.000 0.263 560 M C 2.238 178.664 176.300 0.210 0.000 1.062 560 M CA 1.907 57.184 55.300 -0.039 0.000 1.105 560 M CB -0.699 31.779 32.600 -0.203 0.000 1.385 560 M HN 0.373 nan 8.290 nan 0.000 0.417 561 T N -0.372 114.295 114.554 0.190 0.000 2.737 561 T HA -0.145 4.205 4.350 -0.000 0.000 0.265 561 T C 1.483 176.298 174.700 0.191 0.000 1.038 561 T CA 1.308 63.506 62.100 0.163 0.000 1.144 561 T CB -0.304 68.579 68.868 0.026 0.000 0.866 561 T HN 0.261 nan 8.240 nan 0.000 0.434 562 Y N -0.022 120.440 120.300 0.270 0.000 2.145 562 Y HA -0.054 4.496 4.550 0.000 0.000 0.286 562 Y C 2.387 178.504 175.900 0.363 0.000 1.145 562 Y CA 0.257 58.573 58.100 0.359 0.000 1.148 562 Y CB -0.666 38.149 38.460 0.592 0.000 0.981 562 Y HN 0.331 nan 8.280 nan 0.000 0.507 563 W N 0.458 121.880 121.300 0.203 0.000 2.355 563 W HA -0.241 4.419 4.660 -0.000 0.000 0.309 563 W C 2.487 179.051 176.519 0.075 0.000 1.206 563 W CA 2.046 59.438 57.345 0.079 0.000 1.284 563 W CB -0.627 28.828 29.460 -0.008 0.000 1.145 563 W HN 0.212 nan 8.180 nan 0.000 0.502 564 T N -2.334 112.398 114.554 0.296 0.000 2.951 564 T HA -0.123 4.227 4.350 -0.000 0.000 0.268 564 T C 1.392 176.159 174.700 0.113 0.000 1.073 564 T CA 1.147 63.340 62.100 0.155 0.000 1.134 564 T CB -0.506 68.439 68.868 0.128 0.000 0.884 564 T HN -0.089 nan 8.240 nan 0.000 0.479 565 N N 0.864 119.652 118.700 0.146 0.000 2.142 565 N HA 0.030 4.770 4.740 -0.000 0.000 0.186 565 N C 1.305 176.853 175.510 0.063 0.000 1.023 565 N CA 0.841 53.949 53.050 0.096 0.000 0.852 565 N CB -0.698 37.869 38.487 0.133 0.000 0.998 565 N HN 0.454 nan 8.380 nan 0.000 0.424 566 F N 1.599 121.490 119.950 -0.097 0.000 2.126 566 F HA -0.118 4.409 4.527 -0.000 0.000 0.299 566 F C 2.127 177.848 175.800 -0.133 0.000 1.096 566 F CA 1.422 59.298 58.000 -0.207 0.000 1.255 566 F CB -0.507 38.282 39.000 -0.350 0.000 0.997 566 F HN 0.044 nan 8.300 nan 0.000 0.479 567 A N 0.079 122.869 122.820 -0.049 0.000 1.933 567 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 567 A C 2.226 179.734 177.584 -0.128 0.000 1.175 567 A CA 1.874 53.838 52.037 -0.121 0.000 0.628 567 A CB -0.617 18.363 19.000 -0.032 0.000 0.814 567 A HN 0.480 nan 8.150 nan 0.000 0.444 568 K N -1.127 119.228 120.400 -0.076 0.000 2.103 568 K HA -0.059 4.261 4.320 -0.000 0.000 0.204 568 K C 1.704 178.253 176.600 -0.085 0.000 1.052 568 K CA 1.703 57.954 56.287 -0.059 0.000 0.945 568 K CB -0.061 32.425 32.500 -0.023 0.000 0.722 568 K HN 0.692 nan 8.250 nan 0.000 0.443 569 T N -5.197 109.285 114.554 -0.120 0.000 3.041 569 T HA 0.255 4.605 4.350 -0.000 0.000 0.276 569 T C 1.202 175.795 174.700 -0.179 0.000 0.948 569 T CA 0.294 62.326 62.100 -0.113 0.000 0.885 569 T CB 1.119 69.954 68.868 -0.055 0.000 1.175 569 T HN 0.259 nan 8.240 nan 0.000 0.529 570 G N 1.305 109.889 108.800 -0.361 0.000 2.157 570 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.248 570 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.248 570 G C -0.356 174.426 174.900 -0.196 0.000 0.979 570 G CA 0.178 44.972 45.100 -0.510 0.000 0.650 570 G HN 0.783 nan 8.290 nan 0.000 0.529 571 D N -0.328 119.992 120.400 -0.133 0.000 2.620 571 D HA 0.510 5.150 4.640 -0.000 0.000 0.252 571 D C -1.529 174.686 176.300 -0.142 0.000 1.207 571 D CA -1.934 51.985 54.000 -0.135 0.000 0.884 571 D CB 1.935 42.735 40.800 0.000 0.000 1.262 571 D HN -0.018 nan 8.370 nan 0.000 0.552 572 P HA -0.039 nan 4.420 nan 0.000 0.223 572 P C 0.687 178.124 177.300 0.227 0.000 1.144 572 P CA 0.769 63.814 63.100 -0.093 0.000 0.783 572 P CB 0.359 31.771 31.700 -0.481 0.000 0.771 573 N N -1.590 117.198 118.700 0.146 0.000 2.373 573 N HA 0.024 4.764 4.740 -0.000 0.000 0.181 573 N C 0.428 176.016 175.510 0.130 0.000 1.082 573 N CA 0.594 53.775 53.050 0.217 0.000 0.885 573 N CB 0.196 38.814 38.487 0.217 0.000 0.977 573 N HN 0.256 nan 8.380 nan 0.000 0.462 574 Q N 0.067 119.916 119.800 0.082 0.000 2.377 574 Q HA 0.339 4.679 4.340 -0.000 0.000 0.271 574 Q C -1.959 174.061 176.000 0.034 0.000 1.077 574 Q CA -1.652 54.182 55.803 0.052 0.000 0.820 574 Q CB 2.697 31.458 28.738 0.038 0.000 1.347 574 Q HN 0.009 nan 8.270 nan 0.000 0.444 575 P HA 0.067 nan 4.420 nan 0.000 0.264 575 P C 0.104 177.416 177.300 0.020 0.000 1.259 575 P CA 0.166 63.279 63.100 0.021 0.000 0.841 575 P CB 0.820 32.525 31.700 0.009 0.000 1.232 576 V N 4.954 124.879 119.914 0.018 0.000 2.408 576 V HA 0.202 4.322 4.120 -0.000 0.000 0.267 576 V C -1.763 174.341 176.094 0.016 0.000 1.047 576 V CA -1.661 60.642 62.300 0.005 0.000 0.937 576 V CB 0.640 32.452 31.823 -0.018 0.000 0.999 576 V HN 0.117 nan 8.190 nan 0.000 0.472 577 P HA 0.133 nan 4.420 nan 0.000 0.274 577 P C -0.785 176.515 177.300 -0.001 0.000 1.237 577 P CA -0.530 62.583 63.100 0.021 0.000 0.793 577 P CB 0.802 32.514 31.700 0.021 0.000 0.977 578 Q N 2.048 121.843 119.800 -0.009 0.000 2.452 578 Q HA 0.209 4.549 4.340 -0.000 0.000 0.230 578 Q C -0.271 175.701 176.000 -0.046 0.000 1.180 578 Q CA 0.518 56.295 55.803 -0.043 0.000 0.914 578 Q CB 0.017 28.731 28.738 -0.041 0.000 1.408 578 Q HN 0.398 nan 8.270 nan 0.000 0.520 579 D N 0.539 120.899 120.400 -0.066 0.000 2.449 579 D HA 0.363 5.003 4.640 -0.000 0.000 0.250 579 D C -0.299 175.823 176.300 -0.296 0.000 1.050 579 D CA -0.451 53.481 54.000 -0.113 0.000 1.024 579 D CB 1.430 42.197 40.800 -0.055 0.000 1.218 579 D HN 0.064 nan 8.370 nan 0.000 0.566 580 T N 1.296 115.686 114.554 -0.273 0.000 2.749 580 T HA 0.405 4.755 4.350 -0.000 0.000 0.287 580 T C 0.141 174.730 174.700 -0.185 0.000 0.970 580 T CA -0.534 61.341 62.100 -0.375 0.000 0.980 580 T CB 0.912 69.636 68.868 -0.241 0.000 0.924 580 T HN 0.090 nan 8.240 nan 0.000 0.456 581 K N 1.402 121.826 120.400 0.040 0.000 2.395 581 K HA 0.483 4.803 4.320 -0.000 0.000 0.245 581 K C 0.222 176.873 176.600 0.085 0.000 1.017 581 K CA -1.013 55.309 56.287 0.059 0.000 0.852 581 K CB 1.132 33.751 32.500 0.197 0.000 1.311 581 K HN 0.233 nan 8.250 nan 0.000 0.452 582 F N 0.771 120.794 119.950 0.121 0.000 2.202 582 F HA -0.179 4.348 4.527 -0.000 0.000 0.301 582 F C 2.143 177.992 175.800 0.081 0.000 1.082 582 F CA 0.954 59.005 58.000 0.085 0.000 1.313 582 F CB -0.401 38.629 39.000 0.050 0.000 1.024 582 F HN 0.488 nan 8.300 nan 0.000 0.495 583 I N -0.146 120.568 120.570 0.239 0.000 2.335 583 I HA -0.306 3.863 4.170 -0.000 0.000 0.251 583 I C 2.181 178.294 176.117 -0.008 0.000 1.129 583 I CA 1.803 63.157 61.300 0.091 0.000 1.402 583 I CB -0.581 37.454 38.000 0.058 0.000 1.069 583 I HN 0.107 nan 8.210 nan 0.000 0.424 584 H N 0.404 119.514 119.070 0.067 0.000 2.423 584 H HA -0.065 4.491 4.556 -0.000 0.000 0.297 584 H C 1.728 177.073 175.328 0.028 0.000 1.075 584 H CA 2.088 58.150 56.048 0.023 0.000 1.342 584 H CB -0.314 29.454 29.762 0.009 0.000 1.395 584 H HN 0.517 nan 8.280 nan 0.000 0.530 585 T N -3.712 110.946 114.554 0.174 0.000 9.266 585 T HA -0.251 4.099 4.350 -0.000 0.000 0.342 585 T C 0.365 175.129 174.700 0.105 0.000 1.919 585 T CA 1.495 63.673 62.100 0.131 0.000 2.973 585 T CB -1.225 67.698 68.868 0.091 0.000 2.373 585 T HN 0.269 nan 8.240 nan 0.000 1.071 586 K N 1.254 121.717 120.400 0.105 0.000 2.509 586 K HA 0.656 4.976 4.320 -0.000 0.000 0.266 586 K C -3.184 173.435 176.600 0.032 0.000 0.987 586 K CA -2.246 54.078 56.287 0.062 0.000 0.868 586 K CB 1.801 34.336 32.500 0.059 0.000 1.421 586 K HN 0.025 nan 8.250 nan 0.000 0.444 587 P HA 0.019 nan 4.420 nan 0.000 0.265 587 P C -0.393 176.874 177.300 -0.054 0.000 1.193 587 P CA -0.024 63.047 63.100 -0.049 0.000 0.765 587 P CB 0.322 32.000 31.700 -0.037 0.000 0.823 588 N N 3.249 121.865 118.700 -0.140 0.000 2.406 588 N HA 0.005 4.745 4.740 -0.000 0.000 0.265 588 N C 0.749 176.269 175.510 0.016 0.000 1.203 588 N CA 0.195 53.181 53.050 -0.108 0.000 0.945 588 N CB 0.175 38.473 38.487 -0.315 0.000 1.165 588 N HN 0.224 nan 8.380 nan 0.000 0.485 589 R N 2.606 123.168 120.500 0.102 0.000 2.339 589 R HA 0.003 4.343 4.340 -0.000 0.000 0.199 589 R C 0.256 176.505 176.300 -0.086 0.000 1.018 589 R CA 0.735 56.824 56.100 -0.018 0.000 1.036 589 R CB 0.085 30.318 30.300 -0.112 0.000 0.899 589 R HN 0.479 nan 8.270 nan 0.000 0.473 590 F N 0.319 120.246 119.950 -0.040 0.000 2.664 590 F HA 0.189 4.716 4.527 -0.000 0.000 0.303 590 F C 1.654 177.456 175.800 0.004 0.000 1.092 590 F CA -0.405 57.602 58.000 0.011 0.000 1.305 590 F CB 0.104 39.136 39.000 0.052 0.000 1.054 590 F HN -0.055 nan 8.300 nan 0.000 0.565 591 E N 0.587 120.854 120.200 0.111 0.000 2.114 591 E HA -0.210 4.140 4.350 -0.000 0.000 0.199 591 E C 0.995 177.634 176.600 0.064 0.000 1.008 591 E CA 1.368 57.797 56.400 0.050 0.000 0.810 591 E CB 0.007 29.703 29.700 -0.006 0.000 0.739 591 E HN 0.301 nan 8.360 nan 0.000 0.456 592 E N 0.019 120.251 120.200 0.053 0.000 2.496 592 E HA 0.098 4.448 4.350 -0.000 0.000 0.200 592 E C -0.798 175.847 176.600 0.075 0.000 1.016 592 E CA 0.007 56.437 56.400 0.050 0.000 0.962 592 E CB 1.073 30.781 29.700 0.015 0.000 1.071 592 E HN -0.048 nan 8.360 nan 0.000 0.457 593 V N 1.595 121.592 119.914 0.138 0.000 2.275 593 V HA 0.446 4.566 4.120 -0.000 0.000 0.272 593 V C 0.141 176.414 176.094 0.298 0.000 1.028 593 V CA -0.926 61.480 62.300 0.176 0.000 0.810 593 V CB 1.027 32.947 31.823 0.161 0.000 1.043 593 V HN 0.149 nan 8.190 nan 0.000 0.453 594 A N 5.136 128.100 122.820 0.241 0.000 2.320 594 A HA 0.442 4.762 4.320 -0.000 0.000 0.287 594 A C -0.467 177.327 177.584 0.350 0.000 1.181 594 A CA -0.425 51.793 52.037 0.303 0.000 0.831 594 A CB 0.296 19.428 19.000 0.221 0.000 1.102 594 A HN 0.851 nan 8.150 nan 0.000 0.513 595 W N 4.823 126.229 121.300 0.176 0.000 2.581 595 W HA 0.292 4.952 4.660 -0.000 0.000 0.359 595 W C -0.417 176.247 176.519 0.242 0.000 1.167 595 W CA -0.402 57.010 57.345 0.112 0.000 1.517 595 W CB -0.269 29.134 29.460 -0.095 0.000 1.519 595 W HN 0.659 nan 8.180 nan 0.000 0.431 596 T N 5.761 120.650 114.554 0.559 0.000 2.926 596 T HA 0.087 4.437 4.350 -0.000 0.000 0.307 596 T C 0.500 175.403 174.700 0.338 0.000 1.059 596 T CA -0.312 62.012 62.100 0.373 0.000 1.122 596 T CB 0.884 69.883 68.868 0.218 0.000 0.972 596 T HN 0.344 nan 8.240 nan 0.000 0.545 597 R N 1.108 121.662 120.500 0.090 0.000 2.590 597 R HA 0.117 4.457 4.340 -0.000 0.000 0.274 597 R C -0.674 175.589 176.300 -0.061 0.000 1.061 597 R CA -0.360 55.561 56.100 -0.298 0.000 1.081 597 R CB 0.205 30.329 30.300 -0.294 0.000 0.984 597 R HN 0.691 nan 8.270 nan 0.000 0.448 598 Y N 2.980 123.157 120.300 -0.205 0.000 2.299 598 Y HA 0.263 4.813 4.550 -0.000 0.000 0.326 598 Y C -0.640 175.236 175.900 -0.039 0.000 1.164 598 Y CA 0.248 58.329 58.100 -0.032 0.000 1.234 598 Y CB 1.016 39.515 38.460 0.066 0.000 1.219 598 Y HN 0.713 nan 8.280 nan 0.000 0.497 599 S N 3.965 119.431 115.700 -0.389 0.000 2.564 599 S HA 0.201 4.671 4.470 -0.000 0.000 0.274 599 S C 0.200 174.539 174.600 -0.434 0.000 1.124 599 S CA -0.916 57.150 58.200 -0.223 0.000 0.869 599 S CB 1.861 64.983 63.200 -0.131 0.000 1.105 599 S HN 0.880 nan 8.310 nan 0.000 0.472 600 Q N 0.784 120.500 119.800 -0.139 0.000 2.291 600 Q HA -0.085 4.255 4.340 -0.000 0.000 0.205 600 Q C 1.762 177.712 176.000 -0.083 0.000 0.970 600 Q CA 1.359 57.114 55.803 -0.081 0.000 0.876 600 Q CB -0.073 28.684 28.738 0.032 0.000 0.935 600 Q HN 0.786 nan 8.270 nan 0.000 0.455 601 K N -0.198 120.151 120.400 -0.085 0.000 2.021 601 K HA -0.111 4.209 4.320 -0.000 0.000 0.205 601 K C 1.052 177.654 176.600 0.003 0.000 1.047 601 K CA 1.606 57.878 56.287 -0.025 0.000 0.943 601 K CB 0.253 32.737 32.500 -0.026 0.000 0.725 601 K HN 0.206 nan 8.250 nan 0.000 0.439 602 D N 0.318 120.642 120.400 -0.126 0.000 2.355 602 D HA -0.041 4.599 4.640 -0.000 0.000 0.206 602 D C -0.166 175.831 176.300 -0.504 0.000 1.010 602 D CA 0.256 54.134 54.000 -0.203 0.000 0.875 602 D CB 0.379 41.091 40.800 -0.146 0.000 0.966 602 D HN 0.226 nan 8.370 nan 0.000 0.512 603 Q N 0.687 120.137 119.800 -0.582 0.000 2.423 603 Q HA -0.184 4.156 4.340 -0.000 0.000 0.332 603 Q C -0.424 175.367 176.000 -0.348 0.000 1.355 603 Q CA 0.143 55.452 55.803 -0.823 0.000 0.947 603 Q CB -1.664 26.785 28.738 -0.483 0.000 1.189 603 Q HN 0.411 nan 8.270 nan 0.000 0.418 604 L N 1.436 122.541 121.223 -0.198 0.000 2.416 604 L HA 0.364 4.704 4.340 -0.000 0.000 0.272 604 L C 0.240 177.338 176.870 0.381 0.000 1.161 604 L CA -0.257 54.616 54.840 0.054 0.000 0.845 604 L CB 0.057 42.135 42.059 0.032 0.000 1.119 604 L HN 0.227 nan 8.230 nan 0.000 0.464 605 Y N 1.837 122.277 120.300 0.233 0.000 2.588 605 Y HA 0.650 5.200 4.550 0.000 0.000 0.343 605 Y C -1.206 174.783 175.900 0.149 0.000 1.065 605 Y CA -1.846 56.472 58.100 0.363 0.000 1.038 605 Y CB 1.233 39.949 38.460 0.425 0.000 1.297 605 Y HN 0.310 nan 8.280 nan 0.000 0.467 606 L N 3.187 124.403 121.223 -0.012 0.000 2.265 606 L HA 0.377 4.717 4.340 -0.000 0.000 0.288 606 L C -0.659 176.139 176.870 -0.121 0.000 1.058 606 L CA -0.266 54.331 54.840 -0.405 0.000 0.809 606 L CB 0.113 41.402 42.059 -1.283 0.000 1.179 606 L HN 0.879 nan 8.230 nan 0.000 0.429 607 H N 5.445 124.376 119.070 -0.231 0.000 2.911 607 H HA 0.380 4.936 4.556 -0.000 0.000 0.273 607 H C -0.552 174.728 175.328 -0.079 0.000 1.157 607 H CA -0.184 55.802 56.048 -0.104 0.000 1.402 607 H CB 0.165 29.803 29.762 -0.206 0.000 1.463 607 H HN 0.643 nan 8.280 nan 0.000 0.475 608 I N 6.264 126.700 120.570 -0.224 0.000 2.308 608 I HA 0.376 4.546 4.170 -0.000 0.000 0.293 608 I C 0.885 176.819 176.117 -0.305 0.000 1.078 608 I CA 0.298 61.516 61.300 -0.138 0.000 1.292 608 I CB 0.514 38.377 38.000 -0.228 0.000 1.423 608 I HN 0.794 nan 8.210 nan 0.000 0.493 609 G N 4.741 113.495 108.800 -0.078 0.000 2.561 609 G HA2 0.334 4.294 3.960 -0.000 0.000 0.310 609 G HA3 0.334 4.294 3.960 -0.000 0.000 0.310 609 G C 0.001 174.850 174.900 -0.085 0.000 1.292 609 G CA -0.719 44.330 45.100 -0.084 0.000 0.811 609 G HN 0.379 nan 8.290 nan 0.000 0.482 610 L N -0.472 120.703 121.223 -0.081 0.000 2.478 610 L HA 0.215 4.555 4.340 -0.000 0.000 0.223 610 L C 0.984 177.787 176.870 -0.113 0.000 1.140 610 L CA 0.920 55.696 54.840 -0.107 0.000 0.842 610 L CB -0.119 41.905 42.059 -0.058 0.000 0.953 610 L HN 0.228 nan 8.230 nan 0.000 0.452 611 K N 1.076 121.424 120.400 -0.086 0.000 2.877 611 K HA 0.276 4.596 4.320 -0.000 0.000 0.176 611 K C -2.390 174.109 176.600 -0.169 0.000 1.075 611 K CA -1.419 54.790 56.287 -0.130 0.000 0.939 611 K CB 1.095 33.542 32.500 -0.087 0.000 1.237 611 K HN -0.066 nan 8.250 nan 0.000 0.607 612 P HA 0.180 nan 4.420 nan 0.000 0.274 612 P C -0.731 176.383 177.300 -0.310 0.000 1.231 612 P CA -0.199 62.659 63.100 -0.403 0.000 0.790 612 P CB 1.006 31.981 31.700 -1.208 0.000 0.951 613 R N -0.742 119.632 120.500 -0.209 0.000 3.033 613 R HA 0.374 4.714 4.340 -0.000 0.000 0.284 613 R C -1.869 174.320 176.300 -0.185 0.000 0.997 613 R CA -0.981 55.013 56.100 -0.177 0.000 0.851 613 R CB -0.159 30.033 30.300 -0.179 0.000 1.297 613 R HN 0.095 nan 8.270 nan 0.000 0.518 614 V N 2.092 121.910 119.914 -0.161 0.000 2.498 614 V HA 0.352 4.472 4.120 -0.000 0.000 0.279 614 V C 0.147 176.071 176.094 -0.283 0.000 1.048 614 V CA -0.025 62.151 62.300 -0.206 0.000 0.967 614 V CB 1.158 32.941 31.823 -0.068 0.000 0.988 614 V HN 0.616 nan 8.190 nan 0.000 0.473 615 K N 3.478 123.551 120.400 -0.546 0.000 2.279 615 K HA 0.723 5.043 4.320 -0.000 0.000 0.238 615 K C -0.800 175.602 176.600 -0.330 0.000 1.084 615 K CA -0.952 55.050 56.287 -0.475 0.000 0.885 615 K CB 2.109 34.279 32.500 -0.551 0.000 1.319 615 K HN 0.840 nan 8.250 nan 0.000 0.494 616 E N 0.015 120.215 120.200 0.001 0.000 2.343 616 E HA 0.316 4.666 4.350 -0.000 0.000 0.270 616 E C -1.075 175.669 176.600 0.240 0.000 0.895 616 E CA -0.934 55.486 56.400 0.034 0.000 0.767 616 E CB 1.297 30.899 29.700 -0.163 0.000 1.248 616 E HN 0.528 nan 8.360 nan 0.000 0.440 617 H N 0.299 119.523 119.070 0.257 0.000 2.591 617 H HA -0.236 4.320 4.556 0.000 0.000 0.325 617 H C -0.943 174.465 175.328 0.133 0.000 1.096 617 H CA 0.583 56.713 56.048 0.136 0.000 1.108 617 H CB -1.910 27.893 29.762 0.068 0.000 1.590 617 H HN 0.567 nan 8.280 nan 0.000 0.399 618 Y N 2.808 123.052 120.300 -0.094 0.000 2.802 618 Y HA -0.082 4.468 4.550 0.000 0.000 0.333 618 Y C 1.211 177.085 175.900 -0.042 0.000 1.244 618 Y CA 0.650 58.572 58.100 -0.297 0.000 1.558 618 Y CB 0.223 38.235 38.460 -0.746 0.000 1.233 618 Y HN 0.506 nan 8.280 nan 0.000 0.547 619 R N 3.167 123.381 120.500 -0.477 0.000 3.358 619 R HA -0.312 4.028 4.340 -0.000 0.000 0.248 619 R C 1.378 177.613 176.300 -0.108 0.000 0.981 619 R CA 0.351 56.252 56.100 -0.333 0.000 0.662 619 R CB -1.602 28.396 30.300 -0.503 0.000 1.037 619 R HN 0.817 nan 8.270 nan 0.000 0.460 620 A N 0.625 123.429 122.820 -0.027 0.000 1.927 620 A HA -0.306 4.014 4.320 -0.000 0.000 0.220 620 A C 1.801 179.374 177.584 -0.019 0.000 1.185 620 A CA 2.077 54.120 52.037 0.009 0.000 0.639 620 A CB -0.405 18.607 19.000 0.019 0.000 0.820 620 A HN 0.718 nan 8.150 nan 0.000 0.451 621 N N -0.660 118.015 118.700 -0.041 0.000 2.058 621 N HA -0.150 4.590 4.740 -0.000 0.000 0.191 621 N C 1.676 177.145 175.510 -0.069 0.000 1.037 621 N CA 1.411 54.424 53.050 -0.061 0.000 0.848 621 N CB -0.116 38.326 38.487 -0.076 0.000 1.021 621 N HN 0.257 nan 8.380 nan 0.000 0.422 622 K N 0.826 121.195 120.400 -0.053 0.000 2.148 622 K HA -0.001 4.319 4.320 -0.000 0.000 0.204 622 K C 2.076 178.764 176.600 0.147 0.000 1.050 622 K CA 0.517 56.803 56.287 -0.002 0.000 0.942 622 K CB -0.545 32.016 32.500 0.103 0.000 0.724 622 K HN 0.099 nan 8.250 nan 0.000 0.446 623 V N 2.529 122.526 119.914 0.138 0.000 2.343 623 V HA -0.212 3.908 4.120 -0.000 0.000 0.247 623 V C 1.949 178.127 176.094 0.140 0.000 1.051 623 V CA 1.562 63.973 62.300 0.185 0.000 1.036 623 V CB -0.428 31.466 31.823 0.118 0.000 0.654 623 V HN 0.346 nan 8.190 nan 0.000 0.451 624 N N -0.073 118.661 118.700 0.056 0.000 2.396 624 N HA -0.090 4.650 4.740 -0.000 0.000 0.180 624 N C 1.730 177.235 175.510 -0.008 0.000 1.028 624 N CA 1.065 54.131 53.050 0.026 0.000 0.893 624 N CB -0.074 38.408 38.487 -0.009 0.000 0.967 624 N HN 0.412 nan 8.380 nan 0.000 0.440 625 L N -0.087 121.090 121.223 -0.077 0.000 2.017 625 L HA -0.048 4.292 4.340 -0.000 0.000 0.208 625 L C 1.828 178.576 176.870 -0.203 0.000 1.073 625 L CA 1.623 56.332 54.840 -0.218 0.000 0.745 625 L CB -0.756 41.053 42.059 -0.417 0.000 0.894 625 L HN 0.114 nan 8.230 nan 0.000 0.432 626 W N -0.700 120.636 121.300 0.060 0.000 2.418 626 W HA -0.012 4.648 4.660 0.000 0.000 0.292 626 W C 2.284 178.822 176.519 0.032 0.000 1.213 626 W CA 0.543 57.921 57.345 0.055 0.000 1.283 626 W CB -0.108 29.371 29.460 0.031 0.000 1.119 626 W HN 0.079 nan 8.180 nan 0.000 0.542 627 L N -0.526 120.838 121.223 0.234 0.000 2.375 627 L HA 0.033 4.373 4.340 -0.000 0.000 0.215 627 L C 1.863 178.799 176.870 0.111 0.000 1.108 627 L CA 1.065 55.996 54.840 0.151 0.000 0.830 627 L CB -0.265 41.864 42.059 0.118 0.000 0.959 627 L HN 0.032 nan 8.230 nan 0.000 0.457 628 E N -0.824 119.424 120.200 0.081 0.000 2.378 628 E HA -0.026 4.324 4.350 -0.000 0.000 0.200 628 E C 1.701 178.331 176.600 0.050 0.000 0.882 628 E CA 0.039 56.473 56.400 0.058 0.000 1.061 628 E CB 0.140 29.856 29.700 0.026 0.000 1.049 628 E HN 0.078 nan 8.360 nan 0.000 0.494 629 L N 1.573 122.798 121.223 0.003 0.000 2.044 629 L HA -0.072 4.268 4.340 -0.000 0.000 0.205 629 L C 2.193 179.079 176.870 0.026 0.000 1.075 629 L CA 1.343 56.172 54.840 -0.018 0.000 0.747 629 L CB -0.327 41.682 42.059 -0.083 0.000 0.903 629 L HN -0.057 nan 8.230 nan 0.000 0.435 630 V N 0.661 120.568 119.914 -0.011 0.000 2.282 630 V HA -0.227 3.893 4.120 -0.000 0.000 0.249 630 V C -0.091 176.058 176.094 0.091 0.000 1.057 630 V CA 2.396 64.687 62.300 -0.015 0.000 1.032 630 V CB -1.707 30.112 31.823 -0.007 0.000 0.645 630 V HN 0.355 nan 8.190 nan 0.000 0.447 631 P HA -0.194 nan 4.420 nan 0.000 0.216 631 P C 1.690 179.091 177.300 0.167 0.000 1.150 631 P CA 1.542 64.760 63.100 0.197 0.000 0.837 631 P CB -0.170 31.631 31.700 0.167 0.000 0.786 632 H N -0.051 119.056 119.070 0.061 0.000 2.326 632 H HA -0.029 4.527 4.556 -0.000 0.000 0.301 632 H C 1.767 177.122 175.328 0.044 0.000 1.081 632 H CA 1.314 57.386 56.048 0.040 0.000 1.334 632 H CB -0.602 29.169 29.762 0.016 0.000 1.385 632 H HN 0.059 nan 8.280 nan 0.000 0.504 633 L N -0.414 120.929 121.223 0.201 0.000 2.141 633 L HA -0.161 4.179 4.340 -0.000 0.000 0.209 633 L C 2.748 179.691 176.870 0.122 0.000 1.094 633 L CA 1.219 56.141 54.840 0.137 0.000 0.763 633 L CB -0.759 41.345 42.059 0.076 0.000 0.908 633 L HN 0.412 nan 8.230 nan 0.000 0.437 634 H N 0.575 119.630 119.070 -0.025 0.000 2.387 634 H HA -0.125 4.431 4.556 -0.000 0.000 0.299 634 H C 1.562 176.885 175.328 -0.009 0.000 1.090 634 H CA 1.084 57.088 56.048 -0.073 0.000 1.332 634 H CB 0.402 30.132 29.762 -0.054 0.000 1.386 634 H HN 0.351 nan 8.280 nan 0.000 0.516 635 N N 0.801 119.492 118.700 -0.015 0.000 2.521 635 N HA -0.061 4.679 4.740 -0.000 0.000 0.188 635 N C 1.698 177.173 175.510 -0.057 0.000 1.146 635 N CA 0.235 53.230 53.050 -0.093 0.000 0.893 635 N CB 0.167 38.581 38.487 -0.121 0.000 0.975 635 N HN 0.463 nan 8.380 nan 0.000 0.451 636 L N -0.434 120.784 121.223 -0.008 0.000 2.291 636 L HA 0.016 4.356 4.340 -0.000 0.000 0.214 636 L C 0.363 177.257 176.870 0.039 0.000 1.120 636 L CA 0.762 55.604 54.840 0.002 0.000 0.799 636 L CB -0.070 42.007 42.059 0.029 0.000 0.925 636 L HN 0.083 nan 8.230 nan 0.000 0.446 637 N N -1.149 117.614 118.700 0.106 0.000 2.405 637 N HA 0.255 4.995 4.740 -0.000 0.000 0.285 637 N C -1.208 174.371 175.510 0.115 0.000 1.262 637 N CA -0.602 52.485 53.050 0.062 0.000 0.773 637 N CB 1.840 40.303 38.487 -0.039 0.000 1.490 637 N HN -0.152 nan 8.380 nan 0.000 0.486 638 D N 0.500 120.913 120.400 0.022 0.000 2.256 638 D HA 0.275 4.915 4.640 -0.000 0.000 0.250 638 D C -0.351 175.964 176.300 0.025 0.000 1.093 638 D CA 0.367 54.406 54.000 0.065 0.000 0.882 638 D CB 1.089 41.914 40.800 0.041 0.000 1.185 638 D HN 0.317 nan 8.370 nan 0.000 0.437 639 H N 0.997 120.092 119.070 0.041 0.000 2.747 639 H HA 0.306 4.862 4.556 0.000 0.000 0.371 639 H C -0.286 175.101 175.328 0.098 0.000 1.161 639 H CA -0.672 55.404 56.048 0.046 0.000 1.167 639 H CB 2.478 32.288 29.762 0.080 0.000 1.732 639 H HN 0.561 nan 8.280 nan 0.000 0.544 640 H N 0.047 119.185 119.070 0.113 0.000 2.961 640 H HA 0.365 4.921 4.556 -0.000 0.000 0.371 640 H C -1.176 174.137 175.328 -0.025 0.000 1.190 640 H CA -0.769 55.320 56.048 0.068 0.000 1.138 640 H CB 1.495 31.242 29.762 -0.026 0.000 1.816 640 H HN 0.609 nan 8.280 nan 0.000 0.551 641 H N 0.043 119.113 119.070 0.000 0.000 2.630 641 H HA 0.500 5.056 4.556 0.000 0.000 0.343 641 H C 0.084 175.295 175.328 -0.195 0.000 1.232 641 H CA -0.269 55.758 56.048 -0.035 0.000 1.294 641 H CB 1.105 30.850 29.762 -0.029 0.000 1.746 641 H HN 0.551 nan 8.280 nan 0.000 0.593 642 H N 0.000 119.259 119.070 0.314 0.000 2.539 642 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 642 H CA 0.000 56.157 56.048 0.182 0.000 1.023 642 H CB 0.000 29.836 29.762 0.124 0.000 1.292 642 H HN 0.000 nan 8.280 nan 0.000 0.496