============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 66 rings ring int. center anis. iso. TYR 2 0.840 15.751 21.330-100.631 -99.200 -91.000 TYR 7 0.840 11.147 16.534 -99.622 -99.200 -91.000 HIS 19 0.900 2.102 34.163 -92.141 -99.200 -91.000 HIS 20 0.900 6.583 27.095 -89.868 -99.200 -91.000 PHE 21 1.000 -0.616 29.736 -87.483 -99.200 -91.000 TYR 27 0.840 10.423 13.653 -77.247 -99.200 -91.000 TYR 45 0.840 7.902 30.755 -82.402 -99.200 -91.000 PHE 54 1.000 -9.957 24.237 -82.318 -99.200 -91.000 TYR 59 0.840 -1.810 30.814 -92.719 -99.200 -91.000 TYR 72 0.840 5.565 10.672 -79.059 -99.200 -91.000 PHE 80 1.000 -3.439 13.192 -82.192 -99.200 -91.000 TYR 87 0.840 -11.745 13.542 -91.584 -99.200 -91.000 HIS 105 0.900 10.926 4.595 -82.587 -99.200 -91.000 HIS 109 0.900 16.379 3.023 -74.669 -99.200 -91.000 HIS 112 0.900 11.407 13.878 -72.723 -99.200 -91.000 HIS 113 0.900 7.299 15.848 -72.743 -99.200 -91.000 TYR 120 0.840 8.380 5.543 -76.868 -99.200 -91.000 HIS 121 0.900 2.361 2.000 -84.542 -99.200 -91.000 TYR 122 0.840 1.315 6.917 -76.971 -99.200 -91.000 TYR 138 0.840 9.081 5.266 -86.990 -99.200 -91.000 HIS 149 0.900 0.207 8.994 -98.924 -99.200 -91.000 TYR 162 0.840 0.745 12.072 -86.452 -99.200 -91.000 PHE 184 1.000 -1.160 23.044-105.098 -99.200 -91.000 PHE 204 1.000 -35.296 14.605-110.372 -99.200 -91.000 PHE 231 1.000 -27.522 24.769-111.727 -99.200 -91.000 PHE 248 1.000 -18.931 28.187 -97.548 -99.200 -91.000 PHE 249 1.000 -25.878 31.909-104.960 -99.200 -91.000 HIS 255 0.900 -30.836 34.196-110.342 -99.200 -91.000 TYR 256 0.840 -29.006 34.199-100.176 -99.200 -91.000 TRP 261 1.040 -30.621 25.833 -89.317 -99.200 -91.000 TRP6 261 1.020 -29.308 27.354 -88.078 -99.200 -91.000 TYR 266 0.840 -32.453 35.206 -93.874 -99.200 -91.000 PHE 286 1.000 -29.003 17.458 -96.767 -99.200 -91.000 TYR 289 0.840 -26.142 20.995 -83.113 -99.200 -91.000 TRP 294 1.040 -31.914 13.722 -86.542 -99.200 -91.000 TRP6 294 1.020 -30.344 13.615 -88.304 -99.200 -91.000 PHE 318 1.000 -24.764 9.512-113.463 -99.200 -91.000 HIS 322 0.900 -13.208 15.721-109.750 -99.200 -91.000 TYR 326 0.840 -24.089 18.261-111.625 -99.200 -91.000 PHE 343 1.000 -44.673 28.717-103.513 -99.200 -91.000 PHE 344 1.000 -38.440 34.376-101.462 -99.200 -91.000 TRP 391 1.040 -22.821 28.495 -84.485 -99.200 -91.000 TRP6 391 1.020 -23.568 26.291 -84.110 -99.200 -91.000 PHE 392 1.000 -29.225 29.731 -83.762 -99.200 -91.000 TYR 407 0.840 -22.069 30.477 -89.252 -99.200 -91.000 TRP 411 1.040 -14.082 19.699 -83.664 -99.200 -91.000 TRP6 411 1.020 -14.117 17.339 -83.836 -99.200 -91.000 HIS 413 0.900 -12.964 22.872 -78.739 -99.200 -91.000 TRP 416 1.040 -12.924 27.331 -85.040 -99.200 -91.000 TRP6 416 1.020 -14.494 28.922 -85.826 -99.200 -91.000 PHE 422 1.000 -2.279 34.296 -83.757 -99.200 -91.000 TYR 424 0.840 -10.151 34.713 -92.290 -99.200 -91.000 PHE 442 1.000 -11.961 36.122 -74.648 -99.200 -91.000 PHE 462 1.000 -18.199 43.884 -82.557 -99.200 -91.000 TYR 467 0.840 -22.849 35.611 -64.189 -99.200 -91.000 TYR 469 0.840 -20.902 27.247 -70.498 -99.200 -91.000 HIS 476 0.900 -32.068 19.604 -69.417 -99.200 -91.000 TYR 480 0.840 -26.178 21.258 -66.483 -99.200 -91.000 TRP 486 1.040 -12.758 34.925 -66.571 -99.200 -91.000 TRP6 486 1.020 -11.411 34.184 -68.355 -99.200 -91.000 TYR 488 0.840 -15.456 37.781 -70.079 -99.200 -91.000 PHE 495 1.000 -4.438 37.910 -72.696 -99.200 -91.000 TYR 501 0.840 10.642 40.409 -68.007 -99.200 -91.000 PHE 537 1.000 -20.615 44.411 -69.247 -99.200 -91.000 TRP 550 1.040 -30.911 24.663 -84.259 -99.200 -91.000 TRP6 550 1.020 -29.194 24.528 -82.648 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2wvaV1 SER 2 HA 0.05 -0.06 0.16 -0.75 4.49 3.89 2wvaV1 SER 2 HB2 0.05 -0.02 0.04 -0.04 3.95 3.98 2wvaV1 SER 2 HB3 0.02 -0.03 0.04 -0.04 3.93 3.91 2wvaV1 TYR 3 H 0.22 0.15 0.09 -0.55 8.29 8.19 2wvaV1 TYR 3 HA 0.03 0.18 0.79 -0.75 4.56 4.81 2wvaV1 TYR 3 HB2 0.11 0.14 -0.07 -0.04 3.06 3.20 2wvaV1 TYR 3 HB3 0.13 -0.01 -0.05 -0.04 2.98 3.01 2wvaV1 TYR 3 HD2 0.03 -0.10 -0.29 -0.04 7.15 6.74 2wvaV1 TYR 3 HE2 -0.03 0.02 -0.05 -0.04 6.85 6.75 2wvaV1 THR 4 H 0.14 0.06 0.16 -0.55 8.28 8.09 2wvaV1 THR 4 HA 0.07 0.32 0.73 -0.75 4.39 4.75 2wvaV1 THR 4 HB 0.04 0.02 -0.14 -0.04 4.32 4.20 2wvaV1 THR 4 HG23 0.02 0.04 -0.17 -0.04 1.22 1.06 2wvaV1 VAL 5 H 0.03 0.61 0.09 -0.55 8.24 8.42 2wvaV1 VAL 5 HA -0.00 0.04 0.39 -0.75 4.13 3.80 2wvaV1 VAL 5 HB 0.01 0.04 0.06 -0.04 2.12 2.19 2wvaV1 VAL 5 HG13 -0.03 -0.03 -0.19 -0.04 0.97 0.68 2wvaV1 VAL 5 HG23 -0.03 0.04 0.02 -0.04 0.95 0.94 2wvaV1 GLY 6 H 0.04 0.48 -0.10 -0.55 8.43 8.31 2wvaV1 GLY 6 HA2 0.03 0.02 0.35 -0.51 4.01 3.89 2wvaV1 GLY 6 HA3 0.03 0.08 0.28 -0.51 4.01 3.89 2wvaV1 THR 7 H 0.09 0.05 -0.16 -0.55 8.28 7.72 2wvaV1 THR 7 HA 0.07 0.19 0.53 -0.75 4.39 4.42 2wvaV1 THR 7 HB 0.05 0.08 0.07 -0.04 4.32 4.48 2wvaV1 THR 7 HG23 0.01 0.06 0.04 -0.04 1.22 1.29 2wvaV1 TYR 8 H 0.27 0.67 -0.15 -0.55 8.29 8.53 2wvaV1 TYR 8 HA -0.05 0.07 0.53 -0.75 4.56 4.36 2wvaV1 TYR 8 HB2 0.02 0.09 -0.01 -0.04 3.06 3.11 2wvaV1 TYR 8 HB3 -0.01 0.05 0.05 -0.04 2.98 3.03 2wvaV1 TYR 8 HD2 -0.11 0.15 -0.27 -0.04 7.15 6.88 2wvaV1 TYR 8 HE2 -0.10 0.02 -0.38 -0.04 6.85 6.35 2wvaV1 LEU 9 H 0.17 0.42 -0.18 -0.55 8.37 8.23 2wvaV1 LEU 9 HA 0.09 0.02 0.36 -0.75 4.35 4.06 2wvaV1 LEU 9 HB2 0.04 -0.03 0.04 -0.04 1.64 1.65 2wvaV1 LEU 9 HB3 0.02 0.13 0.08 -0.04 1.64 1.83 2wvaV1 LEU 9 HG -0.06 0.05 -0.35 -0.04 1.64 1.25 2wvaV1 LEU 9 HD13 -0.02 -0.01 -0.08 -0.04 0.93 0.78 2wvaV1 LEU 9 HD23 -0.05 -0.02 -0.12 -0.04 0.89 0.66 2wvaV1 ALA 10 H 0.02 0.43 -0.24 -0.55 8.40 8.06 2wvaV1 ALA 10 HA -0.08 0.02 0.30 -0.75 4.34 3.83 2wvaV1 ALA 10 HB3 -0.01 0.03 0.10 -0.04 1.41 1.48 2wvaV1 GLU 11 H 0.00 0.45 -0.34 -0.55 8.60 8.17 2wvaV1 GLU 11 HA -0.01 0.04 0.45 -0.75 4.29 4.01 2wvaV1 GLU 11 HB2 0.13 0.02 0.11 -0.04 2.09 2.30 2wvaV1 GLU 11 HB3 -0.20 0.09 0.18 -0.04 1.99 2.01 2wvaV1 GLU 11 HG2 -0.17 0.00 -0.01 -0.04 2.34 2.12 2wvaV1 GLU 11 HG3 -0.15 -0.01 -0.24 -0.04 2.34 1.90 2wvaV1 ARG 12 H -0.17 0.53 -0.07 -0.55 8.46 8.21 2wvaV1 ARG 12 HA -0.12 0.01 0.36 -0.75 4.34 3.84 2wvaV1 ARG 12 HB2 -0.06 0.07 0.07 -0.04 1.90 1.95 2wvaV1 ARG 12 HB3 -0.07 -0.01 -0.09 -0.04 1.80 1.59 2wvaV1 ARG 12 HG2 -0.42 0.14 -0.01 -0.04 1.67 1.33 2wvaV1 ARG 12 HG3 -0.01 -0.09 -0.12 -0.04 1.67 1.41 2wvaV1 ARG 12 HD2 -0.12 0.03 -0.04 -0.04 3.22 3.05 2wvaV1 ARG 12 HD3 -0.27 0.01 -0.08 -0.04 3.22 2.83 2wvaV1 LEU 13 H -0.05 0.52 -0.32 -0.55 8.37 7.97 2wvaV1 LEU 13 HA -0.02 0.02 0.36 -0.75 4.35 3.96 2wvaV1 LEU 13 HB2 -0.05 0.15 0.03 -0.04 1.64 1.73 2wvaV1 LEU 13 HB3 -0.02 -0.02 -0.10 -0.04 1.64 1.47 2wvaV1 LEU 13 HG -0.05 0.18 -0.06 -0.04 1.64 1.67 2wvaV1 LEU 13 HD13 -0.13 -0.04 -0.16 -0.04 0.93 0.56 2wvaV1 LEU 13 HD23 -0.02 -0.02 -0.11 -0.04 0.89 0.70 2wvaV1 VAL 14 H -0.02 0.42 -0.19 -0.55 8.24 7.91 2wvaV1 VAL 14 HA 0.01 0.25 0.46 -0.75 4.13 4.09 2wvaV1 VAL 14 HB -0.01 0.04 0.18 -0.04 2.12 2.29 2wvaV1 VAL 14 HG13 -0.00 -0.01 -0.13 -0.04 0.97 0.78 2wvaV1 VAL 14 HG23 -0.01 0.04 -0.10 -0.04 0.95 0.84 2wvaV1 GLN 15 H -0.01 0.59 -0.16 -0.55 8.47 8.33 2wvaV1 GLN 15 HA 0.03 -0.01 0.38 -0.75 4.36 4.01 2wvaV1 GLN 15 HB2 -0.02 0.15 0.14 -0.04 2.15 2.37 2wvaV1 GLN 15 HB3 0.05 -0.12 0.06 -0.04 2.02 1.97 2wvaV1 GLN 15 HG2 -0.01 -0.10 0.04 -0.04 2.40 2.29 2wvaV1 GLN 15 HG3 -0.04 0.16 -0.01 -0.04 2.39 2.46 2wvaV1 GLN 15 HE21 -0.10 0.34 -0.09 -0.04 6.97 7.07 2wvaV1 GLN 15 HE22 -0.05 -0.06 -0.04 -0.04 7.69 7.50 2wvaV1 ILE 16 H 0.04 0.30 -0.44 -0.55 8.25 7.60 2wvaV1 ILE 16 HA 0.38 0.12 0.72 -0.75 4.18 4.65 2wvaV1 ILE 16 HB -0.02 0.02 0.10 -0.04 1.89 1.95 2wvaV1 ILE 16 HG12 0.02 0.15 0.08 -0.04 1.49 1.70 2wvaV1 ILE 16 HG13 0.06 -0.01 -0.22 -0.04 1.21 1.00 2wvaV1 ILE 16 HG23 -0.18 0.04 -0.07 -0.04 0.93 0.69 2wvaV1 ILE 16 HD13 -0.03 -0.04 -0.06 -0.04 0.88 0.71 2wvaV1 GLY 17 H 0.08 0.37 -0.39 -0.55 8.43 7.94 2wvaV1 GLY 17 HA2 0.05 -0.01 0.22 -0.51 4.01 3.77 2wvaV1 GLY 17 HA3 0.08 0.18 0.64 -0.51 4.01 4.40 2wvaV1 LEU 18 H 0.08 0.28 -0.01 -0.55 8.37 8.18 2wvaV1 LEU 18 HA 0.24 0.04 0.48 -0.75 4.35 4.35 2wvaV1 LEU 18 HB2 0.06 0.21 -0.04 -0.04 1.64 1.83 2wvaV1 LEU 18 HB3 0.06 -0.02 -0.13 -0.04 1.64 1.50 2wvaV1 LEU 18 HG 0.17 0.03 0.00 -0.04 1.64 1.80 2wvaV1 LEU 18 HD13 0.13 0.00 -0.32 -0.04 0.93 0.70 2wvaV1 LEU 18 HD23 0.05 -0.06 -0.14 -0.04 0.89 0.70 2wvaV1 LYS 19 H 0.31 0.13 0.28 -0.55 8.42 8.58 2wvaV1 LYS 19 HA -0.07 0.33 1.01 -0.75 4.32 4.84 2wvaV1 LYS 19 HB2 0.14 0.01 0.11 -0.04 1.87 2.09 2wvaV1 LYS 19 HB3 -0.19 -0.05 0.20 -0.04 1.79 1.71 2wvaV1 LYS 19 HG2 0.07 0.17 -0.03 -0.04 1.46 1.63 2wvaV1 LYS 19 HG3 0.03 -0.04 0.06 -0.04 1.46 1.47 2wvaV1 LYS 19 HD2 -0.01 0.18 -0.05 -0.04 1.69 1.76 2wvaV1 LYS 19 HD3 -0.00 -0.06 -0.03 -0.04 1.68 1.55 2wvaV1 LYS 19 HE2 -0.03 -0.09 0.05 -0.04 2.99 2.88 2wvaV1 LYS 19 HE3 -0.09 -0.04 0.13 -0.04 2.99 2.95 2wvaV1 HIS 20 H 0.06 0.15 0.16 -0.55 8.41 8.24 2wvaV1 HIS 20 HA -0.28 0.21 0.70 -0.75 4.63 4.51 2wvaV1 HIS 20 HB2 -0.86 -0.05 -0.05 -0.04 3.26 2.27 2wvaV1 HIS 20 HB3 -0.70 -0.02 0.03 -0.04 3.20 2.48 2wvaV1 HIS 20 HD2 -0.22 -0.08 -0.05 -0.04 6.97 6.57 2wvaV1 HIS 20 HE1 0.04 0.08 -0.02 -0.04 7.75 7.81 2wvaV1 HIS 21 H -0.61 0.61 0.32 -0.55 8.41 8.19 2wvaV1 HIS 21 HA -0.26 0.11 0.49 -0.75 4.63 4.21 2wvaV1 HIS 21 HB2 -0.06 -0.06 -0.00 -0.04 3.26 3.10 2wvaV1 HIS 21 HB3 -0.10 0.08 -0.03 -0.04 3.20 3.11 2wvaV1 HIS 21 HD2 -0.05 -0.04 -0.35 -0.04 6.97 6.48 2wvaV1 HIS 21 HE1 -0.07 0.16 -0.36 -0.04 7.75 7.43 2wvaV1 PHE 22 H 0.21 0.68 0.34 -0.55 8.34 9.01 2wvaV1 PHE 22 HA -0.12 0.40 0.97 -0.75 4.62 5.11 2wvaV1 PHE 22 HB2 -0.00 -0.01 0.17 -0.04 3.15 3.27 2wvaV1 PHE 22 HB3 0.02 -0.09 0.04 -0.04 3.06 2.99 2wvaV1 PHE 22 HD2 -0.03 0.06 -0.06 -0.04 7.28 7.21 2wvaV1 PHE 22 HE2 -0.56 0.05 -0.13 -0.04 7.38 6.70 2wvaV1 PHE 22 HZ -0.27 0.15 -0.07 -0.04 7.32 7.09 2wvaV1 ALA 23 H 0.11 0.63 0.41 -0.55 8.40 9.01 2wvaV1 ALA 23 HA 0.15 0.17 0.94 -0.75 4.34 4.84 2wvaV1 ALA 23 HB3 0.17 0.01 -0.20 -0.04 1.41 1.35 2wvaV1 VAL 24 H 0.12 0.60 0.27 -0.55 8.24 8.68 2wvaV1 VAL 24 HA 0.13 0.17 0.58 -0.75 4.13 4.26 2wvaV1 VAL 24 HB 0.06 -0.15 0.10 -0.04 2.12 2.09 2wvaV1 VAL 24 HG13 0.04 0.05 -0.06 -0.04 0.97 0.97 2wvaV1 VAL 24 HG23 0.08 0.00 -0.35 -0.04 0.95 0.64 2wvaV1 ALA 25 H 0.05 0.19 0.03 -0.55 8.40 8.12 2wvaV1 ALA 25 HA 0.07 0.04 0.26 -0.75 4.34 3.95 2wvaV1 ALA 25 HB3 -0.01 0.03 0.01 -0.04 1.41 1.39 2wvaV1 GLY 26 H 0.07 0.26 0.15 -0.55 8.43 8.37 2wvaV1 GLY 26 HA2 0.09 0.19 0.43 -0.51 4.01 4.21 2wvaV1 GLY 26 HA3 0.13 -0.01 0.39 -0.51 4.01 4.01 2wvaV1 ASP 27 H 0.09 0.26 0.15 -0.55 8.40 8.35 2wvaV1 ASP 27 HA -0.00 0.10 0.32 -0.75 4.63 4.29 2wvaV1 ASP 27 HB2 -0.11 0.07 0.14 -0.04 2.71 2.77 2wvaV1 ASP 27 HB3 -0.06 0.09 0.14 -0.04 2.70 2.83 2wvaV1 TYR 28 H 0.17 0.02 -0.34 -0.55 8.29 7.58 2wvaV1 TYR 28 HA 0.05 0.17 0.57 -0.75 4.56 4.59 2wvaV1 TYR 28 HB2 0.12 -0.17 0.04 -0.04 3.06 3.01 2wvaV1 TYR 28 HB3 0.05 0.00 -0.03 -0.04 2.98 2.96 2wvaV1 TYR 28 HD2 0.11 0.03 -0.04 -0.04 7.15 7.21 2wvaV1 TYR 28 HE2 -0.27 0.02 -0.04 -0.04 6.85 6.52 2wvaV1 ASN 29 H 0.13 0.63 -0.15 -0.55 8.53 8.59 2wvaV1 ASN 29 HA 0.09 0.21 0.97 -0.75 4.76 5.27 2wvaV1 ASN 29 HB2 0.07 0.07 0.05 -0.04 2.88 3.04 2wvaV1 ASN 29 HB3 0.11 -0.08 -0.11 -0.04 2.79 2.67 2wvaV1 ASN 29 HD21 0.09 0.38 -0.22 -0.04 7.03 7.24 2wvaV1 ASN 29 HD22 0.08 0.17 -0.52 -0.04 7.74 7.43 2wvaV1 LEU 30 H 0.06 0.25 0.02 -0.55 8.37 8.15 2wvaV1 LEU 30 HA 0.05 0.08 0.31 -0.75 4.35 4.03 2wvaV1 LEU 30 HB2 0.01 0.02 0.11 -0.04 1.64 1.75 2wvaV1 LEU 30 HB3 0.01 0.09 -0.01 -0.04 1.64 1.70 2wvaV1 LEU 30 HG 0.03 0.02 -0.14 -0.04 1.64 1.50 2wvaV1 LEU 30 HD13 -0.01 0.02 -0.05 -0.04 0.93 0.85 2wvaV1 LEU 30 HD23 0.02 -0.01 -0.11 -0.04 0.89 0.75 2wvaV1 VAL 31 H 0.03 0.14 -0.07 -0.55 8.24 7.79 2wvaV1 VAL 31 HA 0.02 0.15 0.47 -0.75 4.13 4.02 2wvaV1 VAL 31 HB 0.03 0.05 0.09 -0.04 2.12 2.25 2wvaV1 VAL 31 HG13 0.02 0.01 -0.17 -0.04 0.97 0.78 2wvaV1 VAL 31 HG23 0.01 0.01 0.03 -0.04 0.95 0.97 2wvaV1 LEU 32 H 0.04 0.05 -0.31 -0.55 8.37 7.61 2wvaV1 LEU 32 HA 0.02 0.02 0.39 -0.75 4.35 4.04 2wvaV1 LEU 32 HB2 0.03 -0.04 0.06 -0.04 1.64 1.64 2wvaV1 LEU 32 HB3 0.04 0.11 0.09 -0.04 1.64 1.84 2wvaV1 LEU 32 HG 0.01 0.07 -0.32 -0.04 1.64 1.36 2wvaV1 LEU 32 HD13 -0.00 -0.01 -0.03 -0.04 0.93 0.85 2wvaV1 LEU 32 HD23 0.00 0.00 -0.15 -0.04 0.89 0.70 2wvaV1 LEU 33 H 0.06 0.56 -0.18 -0.55 8.37 8.26 2wvaV1 LEU 33 HA 0.09 0.05 0.32 -0.75 4.35 4.05 2wvaV1 LEU 33 HB2 0.08 0.08 0.08 -0.04 1.64 1.84 2wvaV1 LEU 33 HB3 0.14 0.03 -0.07 -0.04 1.64 1.70 2wvaV1 LEU 33 HG 0.09 0.12 -0.08 -0.04 1.64 1.73 2wvaV1 LEU 33 HD13 0.14 -0.03 -0.19 -0.04 0.93 0.82 2wvaV1 LEU 33 HD23 0.15 0.01 -0.15 -0.04 0.89 0.85 2wvaV1 ASP 34 H 0.04 0.38 -0.23 -0.55 8.40 8.05 2wvaV1 ASP 34 HA 0.04 0.05 0.39 -0.75 4.63 4.36 2wvaV1 ASP 34 HB2 0.02 0.15 0.18 -0.04 2.71 3.02 2wvaV1 ASP 34 HB3 0.02 -0.01 -0.04 -0.04 2.70 2.64 2wvaV1 ASN 35 H 0.03 0.39 -0.22 -0.55 8.53 8.18 2wvaV1 ASN 35 HA 0.01 0.06 0.34 -0.75 4.76 4.42 2wvaV1 ASN 35 HB2 0.02 0.08 0.10 -0.04 2.88 3.04 2wvaV1 ASN 35 HB3 0.02 -0.16 -0.17 -0.04 2.79 2.45 2wvaV1 ASN 35 HD21 0.02 -0.12 -0.20 -0.04 7.03 6.69 2wvaV1 ASN 35 HD22 0.02 0.46 -0.02 -0.04 7.74 8.16 2wvaV1 LEU 36 H 0.02 0.40 -0.22 -0.55 8.37 8.02 2wvaV1 LEU 36 HA -0.03 0.03 0.43 -0.75 4.35 4.04 2wvaV1 LEU 36 HB2 0.04 0.05 0.04 -0.04 1.64 1.74 2wvaV1 LEU 36 HB3 -0.15 0.04 -0.10 -0.04 1.64 1.39 2wvaV1 LEU 36 HG -0.06 0.02 -0.05 -0.04 1.64 1.52 2wvaV1 LEU 36 HD13 -0.21 -0.04 -0.18 -0.04 0.93 0.46 2wvaV1 LEU 36 HD23 -0.21 0.00 -0.09 -0.04 0.89 0.56 2wvaV1 LEU 37 H 0.06 0.40 -0.31 -0.55 8.37 7.96 2wvaV1 LEU 37 HA 0.06 0.11 0.36 -0.75 4.35 4.12 2wvaV1 LEU 37 HB2 0.05 0.10 0.13 -0.04 1.64 1.88 2wvaV1 LEU 37 HB3 0.04 -0.04 -0.01 -0.04 1.64 1.58 2wvaV1 LEU 37 HG 0.11 0.02 -0.03 -0.04 1.64 1.70 2wvaV1 LEU 37 HD13 0.09 -0.05 -0.09 -0.04 0.93 0.85 2wvaV1 LEU 37 HD23 0.05 0.01 0.01 -0.04 0.89 0.92 2wvaV1 LEU 38 H 0.02 0.22 -0.58 -0.55 8.37 7.49 2wvaV1 LEU 38 HA -0.00 0.01 0.38 -0.75 4.35 3.99 2wvaV1 LEU 38 HB2 -0.00 0.18 0.09 -0.04 1.64 1.87 2wvaV1 LEU 38 HB3 -0.02 -0.06 0.02 -0.04 1.64 1.54 2wvaV1 LEU 38 HG 0.01 0.16 0.04 -0.04 1.64 1.81 2wvaV1 LEU 38 HD13 -0.01 -0.04 -0.00 -0.04 0.93 0.83 2wvaV1 LEU 38 HD23 -0.00 -0.02 -0.04 -0.04 0.89 0.79 2wvaV1 ASN 39 H 0.01 0.32 -0.32 -0.55 8.53 8.00 2wvaV1 ASN 39 HA -0.01 0.03 0.75 -0.75 4.76 4.78 2wvaV1 ASN 39 HB2 0.01 -0.05 0.03 -0.04 2.88 2.82 2wvaV1 ASN 39 HB3 0.01 0.13 0.11 -0.04 2.79 2.99 2wvaV1 ASN 39 HD21 0.02 0.01 -0.07 -0.04 7.03 6.95 2wvaV1 ASN 39 HD22 0.03 -0.03 -0.16 -0.04 7.74 7.54 2wvaV1 LYS 40 H -0.01 0.14 0.16 -0.55 8.42 8.15 2wvaV1 LYS 40 HA -0.02 0.22 0.33 -0.75 4.32 4.09 2wvaV1 LYS 40 HB2 -0.02 -0.05 0.09 -0.04 1.87 1.85 2wvaV1 LYS 40 HB3 -0.02 -0.01 0.11 -0.04 1.79 1.83 2wvaV1 LYS 40 HG2 -0.01 0.14 -0.02 -0.04 1.46 1.53 2wvaV1 LYS 40 HG3 -0.01 -0.07 0.04 -0.04 1.46 1.37 2wvaV1 LYS 40 HD2 -0.01 -0.05 0.03 -0.04 1.69 1.61 2wvaV1 LYS 40 HD3 -0.01 0.13 -0.04 -0.04 1.68 1.72 2wvaV1 LYS 40 HE2 -0.01 -0.06 0.01 -0.04 2.99 2.88 2wvaV1 LYS 40 HE3 -0.00 -0.07 -0.00 -0.04 2.99 2.87 2wvaV1 ASN 41 H -0.02 -0.02 -0.44 -0.55 8.53 7.51 2wvaV1 ASN 41 HA -0.04 0.11 0.48 -0.75 4.76 4.55 2wvaV1 ASN 41 HB2 -0.01 -0.02 -0.02 -0.04 2.88 2.79 2wvaV1 ASN 41 HB3 -0.02 0.07 0.10 -0.04 2.79 2.91 2wvaV1 ASN 41 HD21 -0.01 -0.03 -0.01 -0.04 7.03 6.94 2wvaV1 ASN 41 HD22 -0.00 0.01 -0.01 -0.04 7.74 7.69 2wvaV1 MET 42 H -0.04 0.30 -0.35 -0.55 8.47 7.84 2wvaV1 MET 42 HA -0.17 0.29 0.49 -0.75 4.52 4.38 2wvaV1 MET 42 HB2 -0.08 -0.10 -0.61 -0.04 2.15 1.32 2wvaV1 MET 42 HB3 -0.04 0.21 -0.28 -0.04 2.03 1.88 2wvaV1 MET 42 HG2 0.01 -0.08 -0.20 -0.04 2.63 2.32 2wvaV1 MET 42 HG3 0.09 0.02 -0.37 -0.04 2.56 2.26 2wvaV1 MET 42 HE3 -0.10 -0.01 -0.08 -0.04 2.10 1.87 2wvaV1 GLU 43 H -0.36 0.61 0.26 -0.55 8.60 8.56 2wvaV1 GLU 43 HA -0.15 0.17 0.84 -0.75 4.29 4.39 2wvaV1 GLU 43 HB2 -0.22 0.02 0.09 -0.04 2.09 1.94 2wvaV1 GLU 43 HB3 -0.16 -0.03 -0.00 -0.04 1.99 1.76 2wvaV1 GLU 43 HG2 -0.10 -0.02 -0.02 -0.04 2.34 2.16 2wvaV1 GLU 43 HG3 -0.21 0.07 -0.08 -0.04 2.34 2.08 2wvaV1 GLN 44 H -0.24 0.18 0.13 -0.55 8.47 7.99 2wvaV1 GLN 44 HA -1.02 0.18 0.86 -0.75 4.36 3.63 2wvaV1 GLN 44 HB2 -0.18 0.08 -0.05 -0.04 2.15 1.96 2wvaV1 GLN 44 HB3 -0.27 -0.04 0.10 -0.04 2.02 1.77 2wvaV1 GLN 44 HG2 -0.47 -0.07 -0.25 -0.04 2.40 1.57 2wvaV1 GLN 44 HG3 -0.37 0.03 -0.14 -0.04 2.39 1.88 2wvaV1 GLN 44 HE21 0.19 0.13 -0.01 -0.04 6.97 7.25 2wvaV1 GLN 44 HE22 0.60 0.05 -0.17 -0.04 7.69 8.13 2wvaV1 VAL 45 H -0.69 0.80 0.34 -0.55 8.24 8.14 2wvaV1 VAL 45 HA -0.41 0.17 0.94 -0.75 4.13 4.07 2wvaV1 VAL 45 HB -0.76 -0.05 0.04 -0.04 2.12 1.32 2wvaV1 VAL 45 HG13 0.15 0.01 -0.13 -0.04 0.97 0.96 2wvaV1 VAL 45 HG23 -0.36 0.04 -0.17 -0.04 0.95 0.41 2wvaV1 TYR 46 H -0.15 0.20 0.18 -0.55 8.29 7.97 2wvaV1 TYR 46 HA 0.06 0.24 0.87 -0.75 4.56 4.98 2wvaV1 TYR 46 HB2 0.02 0.02 0.08 -0.04 3.06 3.13 2wvaV1 TYR 46 HB3 0.02 -0.02 0.09 -0.04 2.98 3.03 2wvaV1 TYR 46 HD2 0.01 0.01 -0.07 -0.04 7.15 7.06 2wvaV1 TYR 46 HE2 -0.00 -0.01 -0.09 -0.04 6.85 6.71 2wvaV1 CYS 47 H 0.19 0.49 0.33 -0.55 8.50 8.96 2wvaV1 CYS 47 HA 0.04 0.23 0.91 -0.75 4.58 5.01 2wvaV1 CYS 47 HB2 0.11 -0.02 -0.10 -0.04 2.97 2.93 2wvaV1 CYS 47 HB3 0.06 -0.18 -0.03 -0.04 2.97 2.77 2wvaV1 CYS 48 H -0.04 0.09 0.10 -0.55 8.50 8.09 2wvaV1 CYS 48 HA -0.01 0.17 0.41 -0.75 4.58 4.39 2wvaV1 CYS 48 HB2 -0.05 -0.14 0.08 -0.04 2.97 2.83 2wvaV1 CYS 48 HB3 -0.03 0.02 -0.04 -0.04 2.97 2.88 2wvaV1 ASN 49 H 0.01 0.06 0.07 -0.55 8.53 8.13 2wvaV1 ASN 49 HA 0.02 0.29 0.67 -0.75 4.76 4.98 2wvaV1 ASN 49 HB2 0.02 -0.08 0.18 -0.04 2.88 2.96 2wvaV1 ASN 49 HB3 0.02 0.19 -0.04 -0.04 2.79 2.92 2wvaV1 ASN 49 HD21 0.05 0.08 0.01 -0.04 7.03 7.14 2wvaV1 ASN 49 HD22 0.04 0.11 -0.02 -0.04 7.74 7.83 2wvaV1 GLU 50 H 0.01 0.23 0.15 -0.55 8.60 8.45 2wvaV1 GLU 50 HA 0.01 0.14 0.25 -0.75 4.29 3.94 2wvaV1 GLU 50 HB2 -0.03 0.03 0.18 -0.04 2.09 2.24 2wvaV1 GLU 50 HB3 -0.04 0.09 0.04 -0.04 1.99 2.05 2wvaV1 GLU 50 HG2 -0.02 -0.14 0.09 -0.04 2.34 2.23 2wvaV1 GLU 50 HG3 0.02 0.06 -0.02 -0.04 2.34 2.35 2wvaV1 LEU 51 H 0.00 0.11 -0.11 -0.55 8.37 7.82 2wvaV1 LEU 51 HA -0.12 0.15 0.41 -0.75 4.35 4.04 2wvaV1 LEU 51 HB2 0.03 0.03 0.03 -0.04 1.64 1.69 2wvaV1 LEU 51 HB3 0.06 -0.04 0.03 -0.04 1.64 1.65 2wvaV1 LEU 51 HG 0.10 -0.01 -0.29 -0.04 1.64 1.40 2wvaV1 LEU 51 HD13 -0.12 0.02 -0.00 -0.04 0.93 0.77 2wvaV1 LEU 51 HD23 0.23 0.03 -0.07 -0.04 0.89 1.03 2wvaV1 ASN 52 H 0.04 0.05 -0.24 -0.55 8.53 7.83 2wvaV1 ASN 52 HA 0.15 0.10 0.41 -0.75 4.76 4.67 2wvaV1 ASN 52 HB2 0.02 -0.06 0.08 -0.04 2.88 2.89 2wvaV1 ASN 52 HB3 0.02 0.06 0.03 -0.04 2.79 2.86 2wvaV1 ASN 52 HD21 -0.00 0.03 0.07 -0.04 7.03 7.08 2wvaV1 ASN 52 HD22 -0.04 -0.05 0.03 -0.04 7.74 7.64 2wvaV1 CYS 53 H 0.02 0.22 -0.38 -0.55 8.50 7.81 2wvaV1 CYS 53 HA 0.05 0.09 0.34 -0.75 4.58 4.30 2wvaV1 CYS 53 HB2 0.06 0.04 -0.09 -0.04 2.97 2.94 2wvaV1 CYS 53 HB3 0.03 0.08 0.03 -0.04 2.97 3.06 2wvaV1 GLY 54 H -0.07 0.48 -0.15 -0.55 8.43 8.14 2wvaV1 GLY 54 HA2 -0.05 0.07 0.33 -0.51 4.01 3.85 2wvaV1 GLY 54 HA3 -0.16 0.05 0.28 -0.51 4.01 3.67 2wvaV1 PHE 55 H -0.06 0.41 -0.21 -0.55 8.34 7.93 2wvaV1 PHE 55 HA 0.09 0.10 0.40 -0.75 4.62 4.46 2wvaV1 PHE 55 HB2 0.00 0.00 0.04 -0.04 3.15 3.16 2wvaV1 PHE 55 HB3 -0.01 0.00 -0.04 -0.04 3.06 2.97 2wvaV1 PHE 55 HD2 0.17 0.02 -0.10 -0.04 7.28 7.32 2wvaV1 PHE 55 HE2 -0.24 0.02 -0.08 -0.04 7.38 7.03 2wvaV1 PHE 55 HZ 0.03 0.03 -0.13 -0.04 7.32 7.21 2wvaV1 SER 56 H -0.02 0.48 -0.38 -0.55 8.46 8.00 2wvaV1 SER 56 HA -0.12 0.25 0.43 -0.75 4.49 4.29 2wvaV1 SER 56 HB2 -0.44 0.08 0.11 -0.04 3.95 3.65 2wvaV1 SER 56 HB3 -0.71 0.01 -0.02 -0.04 3.93 3.17 2wvaV1 ALA 57 H -0.27 0.43 -0.26 -0.55 8.40 7.75 2wvaV1 ALA 57 HA -0.24 0.08 0.33 -0.75 4.34 3.75 2wvaV1 ALA 57 HB3 0.01 0.03 -0.11 -0.04 1.41 1.29 2wvaV1 GLU 58 H 0.06 0.41 -0.29 -0.55 8.60 8.24 2wvaV1 GLU 58 HA 0.14 0.07 0.26 -0.75 4.29 4.01 2wvaV1 GLU 58 HB2 0.24 0.07 0.05 -0.04 2.09 2.41 2wvaV1 GLU 58 HB3 0.43 0.03 0.02 -0.04 1.99 2.43 2wvaV1 GLU 58 HG2 0.17 0.06 -0.04 -0.04 2.34 2.49 2wvaV1 GLU 58 HG3 0.25 -0.05 -0.13 -0.04 2.34 2.37 2wvaV1 GLY 59 H 0.09 0.45 -0.31 -0.55 8.43 8.11 2wvaV1 GLY 59 HA2 0.23 0.02 0.35 -0.51 4.01 4.10 2wvaV1 GLY 59 HA3 0.08 0.10 0.35 -0.51 4.01 4.02 2wvaV1 TYR 60 H 0.11 0.44 -0.31 -0.55 8.29 7.99 2wvaV1 TYR 60 HA -0.02 0.13 0.25 -0.75 4.56 4.17 2wvaV1 TYR 60 HB2 0.05 -0.01 0.05 -0.04 3.06 3.10 2wvaV1 TYR 60 HB3 0.11 0.06 0.08 -0.04 2.98 3.20 2wvaV1 TYR 60 HD2 0.10 0.20 -0.01 -0.04 7.15 7.40 2wvaV1 TYR 60 HE2 -0.11 0.06 -0.09 -0.04 6.85 6.67 2wvaV1 ALA 61 H 0.20 0.55 -0.31 -0.55 8.40 8.29 2wvaV1 ALA 61 HA 0.10 0.09 0.18 -0.75 4.34 3.96 2wvaV1 ALA 61 HB3 0.11 0.04 -0.29 -0.04 1.41 1.22 2wvaV1 ARG 62 H 0.15 0.25 -0.52 -0.55 8.46 7.79 2wvaV1 ARG 62 HA 0.11 0.07 0.42 -0.75 4.34 4.20 2wvaV1 ARG 62 HB2 0.34 0.19 0.08 -0.04 1.90 2.46 2wvaV1 ARG 62 HB3 0.29 -0.05 -0.03 -0.04 1.80 1.97 2wvaV1 ARG 62 HG2 0.19 0.02 -0.01 -0.04 1.67 1.83 2wvaV1 ARG 62 HG3 0.21 0.13 -0.03 -0.04 1.67 1.94 2wvaV1 ARG 62 HD2 0.36 -0.05 -0.09 -0.04 3.22 3.40 2wvaV1 ARG 62 HD3 0.30 -0.06 -0.07 -0.04 3.22 3.34 2wvaV1 ALA 63 H -0.07 0.27 -0.38 -0.55 8.40 7.68 2wvaV1 ALA 63 HA -0.23 0.07 0.60 -0.75 4.34 4.02 2wvaV1 ALA 63 HB3 -0.76 0.00 0.02 -0.04 1.41 0.63 2wvaV1 LYS 64 H -0.19 0.32 0.05 -0.55 8.42 8.05 2wvaV1 LYS 64 HA -0.14 0.22 0.90 -0.75 4.32 4.54 2wvaV1 LYS 64 HB2 -0.25 0.04 0.04 -0.04 1.87 1.66 2wvaV1 LYS 64 HB3 -0.10 0.02 0.13 -0.04 1.79 1.79 2wvaV1 LYS 64 HG2 -0.62 -0.10 -0.20 -0.04 1.46 0.51 2wvaV1 LYS 64 HG3 -1.13 -0.12 0.05 -0.04 1.46 0.21 2wvaV1 LYS 64 HD2 -0.18 0.04 0.01 -0.04 1.69 1.52 2wvaV1 LYS 64 HD3 -0.24 0.30 0.13 -0.04 1.68 1.83 2wvaV1 LYS 64 HE2 0.03 -0.17 0.12 -0.04 2.99 2.93 2wvaV1 LYS 64 HE3 -0.03 0.07 0.11 -0.04 2.99 3.11 2wvaV1 GLY 65 H -0.02 0.43 0.03 -0.55 8.43 8.32 2wvaV1 GLY 65 HA2 0.01 0.03 0.37 -0.51 4.01 3.90 2wvaV1 GLY 65 HA3 0.02 0.15 0.70 -0.51 4.01 4.37 2wvaV1 ALA 66 H 0.08 0.26 -0.29 -0.55 8.40 7.90 2wvaV1 ALA 66 HA 0.07 0.14 0.45 -0.75 4.34 4.24 2wvaV1 ALA 66 HB3 0.05 0.03 0.00 -0.04 1.41 1.46 2wvaV1 ALA 67 H 0.10 0.53 0.31 -0.55 8.40 8.79 2wvaV1 ALA 67 HA 0.21 0.15 0.48 -0.75 4.34 4.43 2wvaV1 ALA 67 HB3 0.27 -0.01 -0.09 -0.04 1.41 1.53 2wvaV1 ALA 68 H 0.14 0.27 0.24 -0.55 8.40 8.50 2wvaV1 ALA 68 HA 0.07 0.26 0.90 -0.75 4.34 4.82 2wvaV1 ALA 68 HB3 0.04 0.02 0.01 -0.04 1.41 1.43 2wvaV1 ALA 69 H 0.07 0.67 0.38 -0.55 8.40 8.98 2wvaV1 ALA 69 HA 0.18 0.31 0.97 -0.75 4.34 5.05 2wvaV1 ALA 69 HB3 0.07 -0.03 -0.13 -0.04 1.41 1.28 2wvaV1 VAL 70 H 0.13 0.70 0.39 -0.55 8.24 8.91 2wvaV1 VAL 70 HA 0.05 0.38 1.16 -0.75 4.13 4.95 2wvaV1 VAL 70 HB 0.13 -0.07 0.09 -0.04 2.12 2.23 2wvaV1 VAL 70 HG13 0.05 -0.02 -0.15 -0.04 0.97 0.81 2wvaV1 VAL 70 HG23 0.05 0.03 -0.23 -0.04 0.95 0.76 2wvaV1 VAL 71 H 0.04 0.69 0.40 -0.55 8.24 8.82 2wvaV1 VAL 71 HA 0.06 0.27 0.98 -0.75 4.13 4.69 2wvaV1 VAL 71 HB -0.00 -0.19 -0.00 -0.04 2.12 1.88 2wvaV1 VAL 71 HG13 0.03 0.02 -0.34 -0.04 0.97 0.64 2wvaV1 VAL 71 HG23 -0.01 0.03 -0.30 -0.04 0.95 0.63 2wvaV1 THR 72 H 0.04 0.14 0.13 -0.55 8.28 8.05 2wvaV1 THR 72 HA 0.14 0.12 0.82 -0.75 4.39 4.71 2wvaV1 THR 72 HB 0.12 0.13 -0.03 -0.04 4.32 4.51 2wvaV1 THR 72 HG23 0.02 0.02 -0.06 -0.04 1.22 1.17 2wvaV1 TYR 73 H 0.27 0.07 0.06 -0.55 8.29 8.14 2wvaV1 TYR 73 HA -0.07 0.09 0.40 -0.75 4.56 4.22 2wvaV1 TYR 73 HB2 -0.40 0.14 -0.08 -0.04 3.06 2.68 2wvaV1 TYR 73 HB3 -0.51 -0.03 0.04 -0.04 2.98 2.44 2wvaV1 TYR 73 HD2 -0.17 0.15 -0.03 -0.04 7.15 7.06 2wvaV1 TYR 73 HE2 0.03 0.01 0.00 -0.04 6.85 6.85 2wvaV1 SER 74 H -0.57 0.16 0.19 -0.55 8.46 7.70 2wvaV1 SER 74 HA -0.37 0.00 0.45 -0.75 4.49 3.82 2wvaV1 SER 74 HB2 -0.47 0.00 -0.17 -0.04 3.95 3.26 2wvaV1 SER 74 HB3 -0.02 0.00 0.24 -0.04 3.93 4.11 2wvaV1 VAL 75 H -0.13 0.55 0.42 -0.55 8.24 8.53 2wvaV1 VAL 75 HA -0.09 0.11 0.48 -0.75 4.13 3.88 2wvaV1 VAL 75 HB -0.13 0.03 0.09 -0.04 2.12 2.07 2wvaV1 VAL 75 HG13 -0.06 0.03 0.11 -0.04 0.97 1.01 2wvaV1 VAL 75 HG23 -0.51 0.04 0.05 -0.04 0.95 0.49 2wvaV1 GLY 76 H -0.11 0.18 -0.46 -0.55 8.43 7.50 2wvaV1 GLY 76 HA2 -0.06 0.09 0.62 -0.51 4.01 4.15 2wvaV1 GLY 76 HA3 -0.05 -0.05 0.30 -0.51 4.01 3.70 2wvaV1 ALA 77 H -0.18 0.15 -0.13 -0.55 8.40 7.70 2wvaV1 ALA 77 HA -0.23 0.10 0.18 -0.75 4.34 3.64 2wvaV1 ALA 77 HB3 -0.35 -0.00 0.01 -0.04 1.41 1.02 2wvaV1 LEU 78 H -0.34 0.43 -0.14 -0.55 8.37 7.78 2wvaV1 LEU 78 HA -0.65 0.06 0.23 -0.75 4.35 3.24 2wvaV1 LEU 78 HB2 -0.13 0.21 0.12 -0.04 1.64 1.80 2wvaV1 LEU 78 HB3 -0.05 0.04 -0.06 -0.04 1.64 1.53 2wvaV1 LEU 78 HG 0.05 0.05 0.01 -0.04 1.64 1.72 2wvaV1 LEU 78 HD13 -0.19 -0.04 0.02 -0.04 0.93 0.68 2wvaV1 LEU 78 HD23 0.05 0.01 -0.03 -0.04 0.89 0.88 2wvaV1 SER 79 H -0.11 0.22 -0.22 -0.55 8.46 7.81 2wvaV1 SER 79 HA 0.02 0.12 0.54 -0.75 4.49 4.42 2wvaV1 SER 79 HB2 0.01 -0.08 0.04 -0.04 3.95 3.88 2wvaV1 SER 79 HB3 0.00 0.06 0.11 -0.04 3.93 4.06 2wvaV1 ALA 80 H -0.13 0.35 -0.31 -0.55 8.40 7.77 2wvaV1 ALA 80 HA -0.09 -0.01 0.31 -0.75 4.34 3.80 2wvaV1 ALA 80 HB3 -0.06 0.02 0.00 -0.04 1.41 1.33 2wvaV1 PHE 81 H -0.10 0.49 -0.32 -0.55 8.34 7.87 2wvaV1 PHE 81 HA -0.03 0.02 0.34 -0.75 4.62 4.20 2wvaV1 PHE 81 HB2 0.01 0.29 0.09 -0.04 3.15 3.50 2wvaV1 PHE 81 HB3 0.00 0.01 -0.06 -0.04 3.06 2.97 2wvaV1 PHE 81 HD2 -0.02 -0.00 -0.09 -0.04 7.28 7.13 2wvaV1 PHE 81 HE2 -0.05 -0.03 -0.09 -0.04 7.38 7.17 2wvaV1 PHE 81 HZ -0.31 -0.00 -0.10 -0.04 7.32 6.86 2wvaV1 ASP 82 H 0.13 0.43 -0.37 -0.55 8.40 8.04 2wvaV1 ASP 82 HA 0.38 0.07 0.43 -0.75 4.63 4.76 2wvaV1 ASP 82 HB2 0.19 0.03 0.15 -0.04 2.71 3.04 2wvaV1 ASP 82 HB3 0.09 -0.01 0.08 -0.04 2.70 2.82 2wvaV1 ALA 83 H -0.20 0.25 -0.11 -0.55 8.40 7.79 2wvaV1 ALA 83 HA -0.78 0.02 0.45 -0.75 4.34 3.28 2wvaV1 ALA 83 HB3 -0.68 0.04 -0.01 -0.04 1.41 0.72 2wvaV1 ILE 84 H -0.05 0.40 -0.19 -0.55 8.25 7.86 2wvaV1 ILE 84 HA -0.07 0.07 0.46 -0.75 4.18 3.87 2wvaV1 ILE 84 HB 0.06 -0.01 0.10 -0.04 1.89 2.00 2wvaV1 ILE 84 HG12 0.07 0.04 -0.14 -0.04 1.49 1.42 2wvaV1 ILE 84 HG13 0.16 -0.04 -0.11 -0.04 1.21 1.18 2wvaV1 ILE 84 HG23 -0.00 0.05 -0.14 -0.04 0.93 0.79 2wvaV1 ILE 84 HD13 0.02 0.01 -0.15 -0.04 0.88 0.72 2wvaV1 GLY 85 H -0.13 0.74 0.02 -0.55 8.43 8.51 2wvaV1 GLY 85 HA2 -0.36 0.14 0.55 -0.51 4.01 3.83 2wvaV1 GLY 85 HA3 -0.51 0.03 0.33 -0.51 4.01 3.34 2wvaV1 GLY 86 H -0.80 0.29 -0.51 -0.55 8.43 6.87 2wvaV1 GLY 86 HA2 -1.99 -0.05 0.38 -0.51 4.01 1.84 2wvaV1 GLY 86 HA3 -0.81 -0.01 0.28 -0.51 4.01 2.95 2wvaV1 ALA 87 H -0.23 0.42 -0.08 -0.55 8.40 7.96 2wvaV1 ALA 87 HA -0.04 0.01 0.44 -0.75 4.34 4.00 2wvaV1 ALA 87 HB3 -0.02 0.06 0.13 -0.04 1.41 1.53 2wvaV1 TYR 88 H -0.12 0.55 -0.15 -0.55 8.29 8.02 2wvaV1 TYR 88 HA -0.11 0.06 0.58 -0.75 4.56 4.34 2wvaV1 TYR 88 HB2 -0.18 0.20 0.22 -0.04 3.06 3.26 2wvaV1 TYR 88 HB3 -0.25 0.05 0.22 -0.04 2.98 2.96 2wvaV1 TYR 88 HD2 -0.07 0.01 -0.26 -0.04 7.15 6.79 2wvaV1 TYR 88 HE2 -0.03 -0.04 -0.26 -0.04 6.85 6.47 2wvaV1 ALA 89 H -0.20 0.55 -0.03 -0.55 8.40 8.17 2wvaV1 ALA 89 HA 0.13 0.04 0.37 -0.75 4.34 4.13 2wvaV1 ALA 89 HB3 0.15 -0.03 0.03 -0.04 1.41 1.52 2wvaV1 GLU 90 H -0.09 0.36 -0.48 -0.55 8.60 7.85 2wvaV1 GLU 90 HA -0.03 0.06 0.83 -0.75 4.29 4.39 2wvaV1 GLU 90 HB2 -0.03 0.08 0.07 -0.04 2.09 2.17 2wvaV1 GLU 90 HB3 -0.03 0.02 0.18 -0.04 1.99 2.13 2wvaV1 GLU 90 HG2 -0.04 0.06 -0.03 -0.04 2.34 2.29 2wvaV1 GLU 90 HG3 -0.13 -0.08 0.02 -0.04 2.34 2.10 2wvaV1 ASN 91 H -0.12 0.33 -0.30 -0.55 8.53 7.89 2wvaV1 ASN 91 HA -0.18 0.21 0.50 -0.75 4.76 4.54 2wvaV1 ASN 91 HB2 -0.05 -0.00 0.04 -0.04 2.88 2.83 2wvaV1 ASN 91 HB3 -0.10 0.08 0.28 -0.04 2.79 3.02 2wvaV1 ASN 91 HD21 -0.05 -0.09 -0.07 -0.04 7.03 6.77 2wvaV1 ASN 91 HD22 -0.04 0.02 -0.22 -0.04 7.74 7.46 2wvaV1 LEU 92 H -0.08 0.41 0.00 -0.55 8.37 8.16 2wvaV1 LEU 92 HA -0.02 0.34 0.85 -0.75 4.35 4.77 2wvaV1 LEU 92 HB2 0.02 -0.17 -0.01 -0.04 1.64 1.43 2wvaV1 LEU 92 HB3 0.05 -0.04 -0.22 -0.04 1.64 1.38 2wvaV1 LEU 92 HG 0.02 0.25 -0.48 -0.04 1.64 1.39 2wvaV1 LEU 92 HD13 0.11 -0.03 -0.10 -0.04 0.93 0.87 2wvaV1 LEU 92 HD23 0.06 0.00 -0.24 -0.04 0.89 0.67 2wvaV1 PRO 93 HA -0.04 0.19 0.10 -0.51 4.44 4.18 2wvaV1 PRO 93 HB2 -0.01 -0.10 0.24 -0.04 2.28 2.38 2wvaV1 PRO 93 HB3 -0.04 0.03 -0.16 -0.04 2.02 1.80 2wvaV1 PRO 93 HG2 -0.01 0.25 0.21 -0.04 2.03 2.44 2wvaV1 PRO 93 HG3 -0.04 0.06 0.09 -0.04 2.03 2.10 2wvaV1 PRO 93 HD2 0.01 0.18 0.08 -0.04 3.68 3.91 2wvaV1 PRO 93 HD3 -0.02 0.25 0.20 -0.04 3.65 4.03 2wvaV1 VAL 94 H 0.00 0.47 0.07 -0.55 8.24 8.23 2wvaV1 VAL 94 HA 0.05 0.17 0.75 -0.75 4.13 4.34 2wvaV1 VAL 94 HB 0.02 -0.03 0.04 -0.04 2.12 2.12 2wvaV1 VAL 94 HG13 0.04 -0.04 -0.38 -0.04 0.97 0.55 2wvaV1 VAL 94 HG23 0.06 0.03 -0.33 -0.04 0.95 0.67 2wvaV1 ILE 95 H 0.04 0.78 0.31 -0.55 8.25 8.83 2wvaV1 ILE 95 HA 0.02 0.13 0.93 -0.75 4.18 4.51 2wvaV1 ILE 95 HB 0.01 -0.01 0.24 -0.04 1.89 2.09 2wvaV1 ILE 95 HG12 -0.02 -0.02 -0.13 -0.04 1.49 1.27 2wvaV1 ILE 95 HG13 0.00 0.09 -0.18 -0.04 1.21 1.08 2wvaV1 ILE 95 HG23 -0.02 -0.04 -0.23 -0.04 0.93 0.60 2wvaV1 ILE 95 HD13 -0.02 0.01 -0.06 -0.04 0.88 0.77 2wvaV1 LEU 96 H 0.06 0.72 0.33 -0.55 8.37 8.93 2wvaV1 LEU 96 HA 0.05 0.15 0.95 -0.75 4.35 4.75 2wvaV1 LEU 96 HB2 0.11 0.01 -0.01 -0.04 1.64 1.70 2wvaV1 LEU 96 HB3 0.20 0.05 0.18 -0.04 1.64 2.03 2wvaV1 LEU 96 HG 0.11 -0.01 -0.40 -0.04 1.64 1.30 2wvaV1 LEU 96 HD13 0.05 0.01 -0.15 -0.04 0.93 0.80 2wvaV1 LEU 96 HD23 0.35 -0.04 -0.16 -0.04 0.89 1.00 2wvaV1 ILE 97 H 0.01 0.84 0.41 -0.55 8.25 8.97 2wvaV1 ILE 97 HA -0.16 0.30 1.11 -0.75 4.18 4.68 2wvaV1 ILE 97 HB -0.03 -0.02 0.10 -0.04 1.89 1.90 2wvaV1 ILE 97 HG12 -0.06 -0.02 -0.15 -0.04 1.49 1.22 2wvaV1 ILE 97 HG13 -0.06 0.02 -0.49 -0.04 1.21 0.64 2wvaV1 ILE 97 HG23 -0.07 -0.03 -0.22 -0.04 0.93 0.57 2wvaV1 ILE 97 HD13 -0.03 0.05 -0.15 -0.04 0.88 0.70 2wvaV1 SER 98 H -0.20 0.75 0.39 -0.55 8.46 8.86 2wvaV1 SER 98 HA 0.02 0.22 1.00 -0.75 4.49 4.97 2wvaV1 SER 98 HB2 0.06 -0.04 -0.12 -0.04 3.95 3.81 2wvaV1 SER 98 HB3 0.01 0.01 0.07 -0.04 3.93 3.98 2wvaV1 GLY 99 H 0.08 0.46 0.29 -0.55 8.43 8.72 2wvaV1 GLY 99 HA2 0.05 0.22 0.70 -0.51 4.01 4.48 2wvaV1 GLY 99 HA3 0.14 -0.08 0.12 -0.51 4.01 3.68 2wvaV1 ALA 100 H 0.02 0.49 0.34 -0.55 8.40 8.70 2wvaV1 ALA 100 HA -0.49 0.05 0.63 -0.75 4.34 3.78 2wvaV1 ALA 100 HB3 -0.09 0.02 -0.20 -0.04 1.41 1.09 2wvaV1 PRO 101 HA -0.07 0.01 0.47 -0.51 4.44 4.34 2wvaV1 PRO 101 HB2 -0.54 0.08 -0.05 -0.04 2.28 1.73 2wvaV1 PRO 101 HB3 -0.53 0.06 0.08 -0.04 2.02 1.59 2wvaV1 PRO 101 HG2 -1.18 0.04 0.03 -0.04 2.03 0.88 2wvaV1 PRO 101 HG3 -1.12 0.06 0.05 -0.04 2.03 0.97 2wvaV1 PRO 101 HD2 -0.62 0.14 0.15 -0.04 3.68 3.30 2wvaV1 PRO 101 HD3 -1.84 0.09 0.18 -0.04 3.65 2.03 2wvaV1 ASN 102 H 0.07 0.15 0.22 -0.55 8.53 8.42 2wvaV1 ASN 102 HA 0.06 -0.09 0.63 -0.75 4.76 4.60 2wvaV1 ASN 102 HB2 0.05 0.08 0.20 -0.04 2.88 3.16 2wvaV1 ASN 102 HB3 0.03 0.02 0.13 -0.04 2.79 2.93 2wvaV1 ASN 102 HD21 0.03 0.11 0.05 -0.04 7.03 7.18 2wvaV1 ASN 102 HD22 0.03 0.01 0.07 -0.04 7.74 7.82 2wvaV1 ASN 103 H 0.08 0.11 0.22 -0.55 8.53 8.39 2wvaV1 ASN 103 HA 0.30 0.10 0.37 -0.75 4.76 4.78 2wvaV1 ASN 103 HB2 0.07 0.02 0.21 -0.04 2.88 3.15 2wvaV1 ASN 103 HB3 0.12 0.00 0.25 -0.04 2.79 3.12 2wvaV1 ASN 103 HD21 0.04 -0.05 0.07 -0.04 7.03 7.05 2wvaV1 ASN 103 HD22 0.06 0.62 0.27 -0.04 7.74 8.65 2wvaV1 ASN 104 H 0.06 -0.03 -0.41 -0.55 8.53 7.61 2wvaV1 ASN 104 HA 0.05 0.19 0.59 -0.75 4.76 4.83 2wvaV1 ASN 104 HB2 0.06 -0.08 -0.01 -0.04 2.88 2.82 2wvaV1 ASN 104 HB3 0.07 0.08 0.04 -0.04 2.79 2.94 2wvaV1 ASN 104 HD21 0.03 0.05 0.01 -0.04 7.03 7.08 2wvaV1 ASN 104 HD22 0.04 -0.06 0.01 -0.04 7.74 7.69 2wvaV1 ASP 105 H 0.03 0.42 -0.32 -0.55 8.40 7.97 2wvaV1 ASP 105 HA 0.07 0.17 0.42 -0.75 4.63 4.54 2wvaV1 ASP 105 HB2 -0.19 0.06 0.02 -0.04 2.71 2.56 2wvaV1 ASP 105 HB3 0.01 -0.02 0.04 -0.04 2.70 2.68 2wvaV1 HIS 106 H 0.09 0.21 -0.34 -0.55 8.41 7.83 2wvaV1 HIS 106 HA 0.05 -0.01 0.57 -0.75 4.63 4.48 2wvaV1 HIS 106 HB2 -0.13 0.15 0.04 -0.04 3.26 3.28 2wvaV1 HIS 106 HB3 -0.12 -0.04 0.04 -0.04 3.20 3.04 2wvaV1 HIS 106 HD2 -0.05 -0.08 -0.00 -0.04 6.97 6.80 2wvaV1 HIS 106 HE1 0.02 0.04 -0.12 -0.04 7.75 7.65 2wvaV1 ALA 107 H 0.05 0.06 0.22 -0.55 8.40 8.18 2wvaV1 ALA 107 HA -0.01 -0.04 0.37 -0.75 4.34 3.90 2wvaV1 ALA 107 HB3 -0.01 0.04 0.04 -0.04 1.41 1.44 2wvaV1 ALA 108 H -0.10 -0.02 -0.15 -0.55 8.40 7.59 2wvaV1 ALA 108 HA -0.15 0.24 0.88 -0.75 4.34 4.56 2wvaV1 ALA 108 HB3 -0.52 0.06 -0.10 -0.04 1.41 0.82 2wvaV1 GLY 109 H -0.08 -0.06 0.11 -0.55 8.43 7.85 2wvaV1 GLY 109 HA2 -0.00 -0.04 0.30 -0.51 4.01 3.75 2wvaV1 GLY 109 HA3 -0.00 0.13 0.48 -0.51 4.01 4.12 2wvaV1 HIS 110 H 0.03 0.09 -0.00 -0.55 8.41 7.98 2wvaV1 HIS 110 HA 0.05 0.22 0.93 -0.75 4.63 5.08 2wvaV1 HIS 110 HB2 0.08 -0.01 0.06 -0.04 3.26 3.36 2wvaV1 HIS 110 HB3 0.06 0.04 -0.12 -0.04 3.20 3.14 2wvaV1 HIS 110 HD2 0.03 0.14 -0.36 -0.04 6.97 6.74 2wvaV1 HIS 110 HE1 0.01 0.01 -0.08 -0.04 7.75 7.64 2wvaV1 VAL 111 H 0.14 0.20 0.09 -0.55 8.24 8.13 2wvaV1 VAL 111 HA 0.18 0.18 0.66 -0.75 4.13 4.39 2wvaV1 VAL 111 HB 0.09 -0.02 0.08 -0.04 2.12 2.23 2wvaV1 VAL 111 HG13 0.10 -0.02 -0.12 -0.04 0.97 0.88 2wvaV1 VAL 111 HG23 0.07 0.03 -0.13 -0.04 0.95 0.88 2wvaV1 LEU 112 H 0.29 0.17 0.10 -0.55 8.37 8.39 2wvaV1 LEU 112 HA 0.14 0.22 1.00 -0.75 4.35 4.95 2wvaV1 LEU 112 HB2 0.06 -0.05 0.02 -0.04 1.64 1.62 2wvaV1 LEU 112 HB3 0.05 0.01 0.04 -0.04 1.64 1.70 2wvaV1 LEU 112 HG 0.12 0.09 -0.36 -0.04 1.64 1.45 2wvaV1 LEU 112 HD13 -0.57 -0.03 -0.03 -0.04 0.93 0.25 2wvaV1 LEU 112 HD23 0.06 0.05 -0.09 -0.04 0.89 0.87 2wvaV1 HIS 113 H 0.27 0.14 0.13 -0.55 8.41 8.41 2wvaV1 HIS 113 HA 0.06 0.11 0.50 -0.75 4.63 4.55 2wvaV1 HIS 113 HB2 -0.15 0.02 0.13 -0.04 3.26 3.23 2wvaV1 HIS 113 HB3 -0.07 0.07 0.15 -0.04 3.20 3.31 2wvaV1 HIS 113 HD2 -1.35 0.02 -0.08 -0.04 6.97 5.51 2wvaV1 HIS 113 HE1 -0.58 -0.00 -0.01 -0.04 7.75 7.12 2wvaV1 HIS 114 H 0.25 0.18 0.18 -0.55 8.41 8.47 2wvaV1 HIS 114 HA 0.13 0.04 0.39 -0.75 4.63 4.44 2wvaV1 HIS 114 HB2 0.18 0.21 0.13 -0.04 3.26 3.75 2wvaV1 HIS 114 HB3 0.15 -0.05 0.25 -0.04 3.20 3.50 2wvaV1 HIS 114 HD2 0.40 -0.11 -0.01 -0.04 6.97 7.21 2wvaV1 HIS 114 HE1 0.16 0.08 0.03 -0.04 7.75 7.98 2wvaV1 ALA 115 H 0.23 0.39 -0.42 -0.55 8.40 8.05 2wvaV1 ALA 115 HA 0.36 0.15 0.93 -0.75 4.34 5.03 2wvaV1 ALA 115 HB3 0.50 -0.01 0.07 -0.04 1.41 1.93 2wvaV1 LEU 116 H 0.13 0.11 0.17 -0.55 8.37 8.23 2wvaV1 LEU 116 HA -0.01 0.16 0.24 -0.75 4.35 3.98 2wvaV1 LEU 116 HB2 -0.16 -0.09 0.13 -0.04 1.64 1.47 2wvaV1 LEU 116 HB3 -0.13 0.09 0.10 -0.04 1.64 1.65 2wvaV1 LEU 116 HG -0.61 -0.09 0.07 -0.04 1.64 0.97 2wvaV1 LEU 116 HD13 -0.68 0.01 0.02 -0.04 0.93 0.24 2wvaV1 LEU 116 HD23 -0.17 0.03 -0.02 -0.04 0.89 0.69 2wvaV1 GLY 117 H 0.09 0.04 -0.24 -0.55 8.43 7.77 2wvaV1 GLY 117 HA2 0.07 -0.00 0.27 -0.51 4.01 3.84 2wvaV1 GLY 117 HA3 0.04 0.23 0.80 -0.51 4.01 4.57 2wvaV1 LYS 118 H -0.02 -0.07 -0.15 -0.55 8.42 7.63 2wvaV1 LYS 118 HA -0.02 0.26 0.77 -0.75 4.32 4.58 2wvaV1 LYS 118 HB2 -0.08 -0.08 0.06 -0.04 1.87 1.73 2wvaV1 LYS 118 HB3 -0.05 -0.04 0.17 -0.04 1.79 1.83 2wvaV1 LYS 118 HG2 -0.03 0.10 -0.01 -0.04 1.46 1.48 2wvaV1 LYS 118 HG3 -0.04 0.01 -0.14 -0.04 1.46 1.24 2wvaV1 LYS 118 HD2 -0.10 -0.07 0.01 -0.04 1.69 1.49 2wvaV1 LYS 118 HD3 -0.05 -0.02 0.02 -0.04 1.68 1.59 2wvaV1 LYS 118 HE2 -0.04 0.04 -0.01 -0.04 2.99 2.95 2wvaV1 LYS 118 HE3 -0.06 0.05 -0.03 -0.04 2.99 2.91 2wvaV1 THR 119 H -0.06 0.16 0.08 -0.55 8.28 7.90 2wvaV1 THR 119 HA -0.07 0.42 0.81 -0.75 4.39 4.80 2wvaV1 THR 119 HB 0.01 -0.14 0.16 -0.04 4.32 4.31 2wvaV1 THR 119 HG23 0.04 0.04 -0.46 -0.04 1.22 0.80 2wvaV1 ASP 120 H -0.24 0.09 -0.13 -0.55 8.40 7.56 2wvaV1 ASP 120 HA -0.32 0.26 1.04 -0.75 4.63 4.86 2wvaV1 ASP 120 HB2 0.00 -0.00 0.18 -0.04 2.71 2.86 2wvaV1 ASP 120 HB3 -0.06 0.06 -0.08 -0.04 2.70 2.58 2wvaV1 TYR 121 H 0.09 0.23 0.12 -0.55 8.29 8.18 2wvaV1 TYR 121 HA 0.20 0.14 0.87 -0.75 4.56 5.02 2wvaV1 TYR 121 HB2 -0.06 0.06 0.05 -0.04 3.06 3.08 2wvaV1 TYR 121 HB3 -0.11 -0.02 0.16 -0.04 2.98 2.98 2wvaV1 TYR 121 HD2 -0.02 -0.03 -0.06 -0.04 7.15 6.99 2wvaV1 TYR 121 HE2 0.02 0.08 -0.05 -0.04 6.85 6.85 2wvaV1 HIS 122 H 0.25 0.16 -0.12 -0.55 8.41 8.16 2wvaV1 HIS 122 HA 0.16 0.17 0.64 -0.75 4.63 4.84 2wvaV1 HIS 122 HB2 0.11 -0.01 0.07 -0.04 3.26 3.39 2wvaV1 HIS 122 HB3 0.10 0.06 0.01 -0.04 3.20 3.33 2wvaV1 HIS 122 HD2 0.13 -0.01 0.00 -0.04 6.97 7.05 2wvaV1 HIS 122 HE1 0.05 0.09 -0.02 -0.04 7.75 7.83 2wvaV1 TYR 123 H 0.23 0.09 -0.21 -0.55 8.29 7.86 2wvaV1 TYR 123 HA 0.10 0.14 0.19 -0.75 4.56 4.25 2wvaV1 TYR 123 HB2 0.05 0.10 0.00 -0.04 3.06 3.17 2wvaV1 TYR 123 HB3 0.06 0.03 0.05 -0.04 2.98 3.08 2wvaV1 TYR 123 HD2 0.05 0.05 -0.11 -0.04 7.15 7.10 2wvaV1 TYR 123 HE2 0.04 0.03 0.06 -0.04 6.85 6.94 2wvaV1 GLN 124 H -0.69 0.10 -0.28 -0.55 8.47 7.06 2wvaV1 GLN 124 HA 0.01 0.11 0.37 -0.75 4.36 4.09 2wvaV1 GLN 124 HB2 -0.65 -0.05 0.08 -0.04 2.15 1.49 2wvaV1 GLN 124 HB3 -0.13 0.05 0.04 -0.04 2.02 1.93 2wvaV1 GLN 124 HG2 0.11 0.11 -0.26 -0.04 2.40 2.33 2wvaV1 GLN 124 HG3 -0.04 0.03 -0.01 -0.04 2.39 2.33 2wvaV1 GLN 124 HE21 0.05 -0.01 -0.02 -0.04 6.97 6.95 2wvaV1 GLN 124 HE22 0.39 0.13 -0.11 -0.04 7.69 8.06 2wvaV1 LEU 125 H -0.08 0.10 -0.27 -0.55 8.37 7.57 2wvaV1 LEU 125 HA -0.30 0.06 0.28 -0.75 4.35 3.64 2wvaV1 LEU 125 HB2 -0.01 -0.06 0.00 -0.04 1.64 1.54 2wvaV1 LEU 125 HB3 -0.34 0.12 0.10 -0.04 1.64 1.48 2wvaV1 LEU 125 HG -0.13 0.08 -0.29 -0.04 1.64 1.26 2wvaV1 LEU 125 HD13 0.07 0.03 -0.27 -0.04 0.93 0.72 2wvaV1 LEU 125 HD23 -0.20 -0.00 -0.04 -0.04 0.89 0.60 2wvaV1 GLU 126 H -0.07 0.37 -0.14 -0.55 8.60 8.21 2wvaV1 GLU 126 HA -0.02 0.06 0.29 -0.75 4.29 3.86 2wvaV1 GLU 126 HB2 0.10 0.04 0.08 -0.04 2.09 2.27 2wvaV1 GLU 126 HB3 0.06 0.03 -0.04 -0.04 1.99 2.01 2wvaV1 GLU 126 HG2 0.20 0.03 -0.01 -0.04 2.34 2.52 2wvaV1 GLU 126 HG3 0.25 0.10 0.02 -0.04 2.34 2.67 2wvaV1 MET 127 H -0.01 0.46 -0.24 -0.55 8.47 8.13 2wvaV1 MET 127 HA -0.08 0.06 0.48 -0.75 4.52 4.23 2wvaV1 MET 127 HB2 0.16 0.04 0.12 -0.04 2.15 2.42 2wvaV1 MET 127 HB3 0.00 -0.02 -0.02 -0.04 2.03 1.95 2wvaV1 MET 127 HG2 0.08 0.01 -0.00 -0.04 2.63 2.68 2wvaV1 MET 127 HG3 0.14 0.10 0.03 -0.04 2.56 2.78 2wvaV1 MET 127 HE3 0.18 0.01 -0.03 -0.04 2.10 2.21 2wvaV1 ALA 128 H -0.41 0.48 -0.14 -0.55 8.40 7.78 2wvaV1 ALA 128 HA -1.03 -0.00 0.29 -0.75 4.34 2.85 2wvaV1 ALA 128 HB3 -0.87 -0.00 0.01 -0.04 1.41 0.51 2wvaV1 LYS 129 H -0.23 0.40 -0.35 -0.55 8.42 7.68 2wvaV1 LYS 129 HA -0.11 0.01 0.19 -0.75 4.32 3.65 2wvaV1 LYS 129 HB2 -0.08 0.13 0.05 -0.04 1.87 1.93 2wvaV1 LYS 129 HB3 -0.05 0.01 -0.01 -0.04 1.79 1.70 2wvaV1 LYS 129 HG2 -0.03 -0.01 -0.04 -0.04 1.46 1.34 2wvaV1 LYS 129 HG3 -0.08 0.05 -0.10 -0.04 1.46 1.29 2wvaV1 LYS 129 HD2 0.00 -0.03 -0.06 -0.04 1.69 1.56 2wvaV1 LYS 129 HD3 0.00 0.03 -0.03 -0.04 1.68 1.64 2wvaV1 LYS 129 HE2 0.03 0.07 -0.02 -0.04 2.99 3.02 2wvaV1 LYS 129 HE3 0.01 -0.09 -0.14 -0.04 2.99 2.73 2wvaV1 ASN 130 H -0.20 0.38 -0.50 -0.55 8.53 7.66 2wvaV1 ASN 130 HA -0.12 0.06 0.39 -0.75 4.76 4.33 2wvaV1 ASN 130 HB2 -0.16 0.16 0.10 -0.04 2.88 2.94 2wvaV1 ASN 130 HB3 -0.11 -0.05 0.05 -0.04 2.79 2.64 2wvaV1 ASN 130 HD21 -0.04 -0.11 0.00 -0.04 7.03 6.84 2wvaV1 ASN 130 HD22 -0.10 0.12 0.19 -0.04 7.74 7.91 2wvaV1 ILE 131 H -0.26 0.43 -0.34 -0.55 8.25 7.53 2wvaV1 ILE 131 HA -0.41 0.22 0.90 -0.75 4.18 4.14 2wvaV1 ILE 131 HB -0.21 -0.06 0.09 -0.04 1.89 1.67 2wvaV1 ILE 131 HG12 -0.43 0.08 -0.00 -0.04 1.49 1.10 2wvaV1 ILE 131 HG13 -0.29 0.05 -0.23 -0.04 1.21 0.70 2wvaV1 ILE 131 HG23 -0.13 -0.02 -0.19 -0.04 0.93 0.55 2wvaV1 ILE 131 HD13 -0.43 -0.04 -0.04 -0.04 0.88 0.33 2wvaV1 THR 132 H -0.15 0.31 -0.10 -0.55 8.28 7.79 2wvaV1 THR 132 HA 0.15 0.27 0.84 -0.75 4.39 4.89 2wvaV1 THR 132 HB 0.05 -0.02 0.14 -0.04 4.32 4.44 2wvaV1 THR 132 HG23 -0.01 -0.04 -0.37 -0.04 1.22 0.76 2wvaV1 ALA 133 H 0.09 0.70 0.24 -0.55 8.40 8.89 2wvaV1 ALA 133 HA 0.12 0.13 0.66 -0.75 4.34 4.50 2wvaV1 ALA 133 HB3 0.00 0.02 -0.03 -0.04 1.41 1.35 2wvaV1 ALA 134 H 0.03 0.20 0.02 -0.55 8.40 8.11 2wvaV1 ALA 134 HA 0.06 0.09 0.43 -0.75 4.34 4.16 2wvaV1 ALA 134 HB3 -0.04 0.04 -0.06 -0.04 1.41 1.30 2wvaV1 ALA 135 H 0.09 0.30 0.10 -0.55 8.40 8.33 2wvaV1 ALA 135 HA 0.19 0.28 0.91 -0.75 4.34 4.96 2wvaV1 ALA 135 HB3 0.07 0.01 -0.17 -0.04 1.41 1.27 2wvaV1 GLU 136 H 0.11 0.70 0.30 -0.55 8.60 9.17 2wvaV1 GLU 136 HA 0.03 0.14 0.95 -0.75 4.29 4.65 2wvaV1 GLU 136 HB2 -0.00 0.03 0.04 -0.04 2.09 2.12 2wvaV1 GLU 136 HB3 -0.03 -0.01 -0.03 -0.04 1.99 1.88 2wvaV1 GLU 136 HG2 0.13 -0.07 -0.44 -0.04 2.34 1.92 2wvaV1 GLU 136 HG3 0.12 0.06 -0.04 -0.04 2.34 2.44 2wvaV1 ALA 137 H -0.08 0.20 0.16 -0.55 8.40 8.13 2wvaV1 ALA 137 HA -0.19 0.13 1.00 -0.75 4.34 4.52 2wvaV1 ALA 137 HB3 -0.28 -0.01 0.01 -0.04 1.41 1.09 2wvaV1 ILE 138 H -0.30 0.71 0.26 -0.55 8.25 8.38 2wvaV1 ILE 138 HA -0.28 0.15 0.96 -0.75 4.18 4.26 2wvaV1 ILE 138 HB -0.14 -0.02 0.24 -0.04 1.89 1.93 2wvaV1 ILE 138 HG12 -0.13 0.04 -0.22 -0.04 1.49 1.13 2wvaV1 ILE 138 HG13 -0.15 0.04 -0.22 -0.04 1.21 0.84 2wvaV1 ILE 138 HG23 -0.10 -0.03 -0.15 -0.04 0.93 0.61 2wvaV1 ILE 138 HD13 -0.10 -0.01 -0.09 -0.04 0.88 0.65 2wvaV1 TYR 139 H -0.18 0.17 0.15 -0.55 8.29 7.88 2wvaV1 TYR 139 HA -0.06 0.11 0.92 -0.75 4.56 4.78 2wvaV1 TYR 139 HB2 -0.10 0.04 0.04 -0.04 3.06 3.00 2wvaV1 TYR 139 HB3 -0.15 0.02 0.09 -0.04 2.98 2.90 2wvaV1 TYR 139 HD2 -0.13 0.03 -0.06 -0.04 7.15 6.95 2wvaV1 TYR 139 HE2 -0.01 0.01 -0.08 -0.04 6.85 6.73 2wvaV1 THR 140 H 0.01 0.08 0.15 -0.55 8.28 7.97 2wvaV1 THR 140 HA 0.02 0.27 0.87 -0.75 4.39 4.80 2wvaV1 THR 140 HB 0.01 0.08 0.14 -0.04 4.32 4.51 2wvaV1 THR 140 HG23 0.04 0.02 -0.14 -0.04 1.22 1.11 2wvaV1 PRO 141 HA -0.04 0.07 0.35 -0.51 4.44 4.31 2wvaV1 PRO 141 HB2 -0.01 0.17 0.04 -0.04 2.28 2.43 2wvaV1 PRO 141 HB3 -0.01 0.13 -0.03 -0.04 2.02 2.08 2wvaV1 PRO 141 HG2 0.00 0.11 0.12 -0.04 2.03 2.22 2wvaV1 PRO 141 HG3 0.00 0.01 0.13 -0.04 2.03 2.14 2wvaV1 PRO 141 HD2 -0.00 0.09 0.22 -0.04 3.68 3.96 2wvaV1 PRO 141 HD3 0.01 0.14 0.27 -0.04 3.65 4.02 2wvaV1 GLU 142 H -0.02 0.11 -0.14 -0.55 8.60 8.01 2wvaV1 GLU 142 HA -0.05 0.11 0.33 -0.75 4.29 3.93 2wvaV1 GLU 142 HB2 -0.02 -0.05 0.04 -0.04 2.09 2.01 2wvaV1 GLU 142 HB3 -0.03 0.05 0.04 -0.04 1.99 2.01 2wvaV1 GLU 142 HG2 -0.01 0.04 0.03 -0.04 2.34 2.36 2wvaV1 GLU 142 HG3 -0.02 0.06 0.05 -0.04 2.34 2.39 2wvaV1 GLU 143 H -0.05 0.14 -0.43 -0.55 8.60 7.72 2wvaV1 GLU 143 HA -0.06 0.12 0.48 -0.75 4.29 4.08 2wvaV1 GLU 143 HB2 -0.06 0.01 0.11 -0.04 2.09 2.11 2wvaV1 GLU 143 HB3 -0.07 0.03 0.09 -0.04 1.99 2.00 2wvaV1 GLU 143 HG2 -0.03 0.08 0.01 -0.04 2.34 2.36 2wvaV1 GLU 143 HG3 -0.02 -0.07 -0.00 -0.04 2.34 2.21 2wvaV1 ALA 144 H -0.11 0.41 -0.27 -0.55 8.40 7.89 2wvaV1 ALA 144 HA -0.13 -0.05 0.20 -0.75 4.34 3.61 2wvaV1 ALA 144 HB3 -0.14 0.03 0.07 -0.04 1.41 1.33 2wvaV1 PRO 145 HA -0.95 0.07 0.25 -0.51 4.44 3.30 2wvaV1 PRO 145 HB2 -0.21 0.01 0.01 -0.04 2.28 2.06 2wvaV1 PRO 145 HB3 -0.49 0.09 -0.07 -0.04 2.02 1.51 2wvaV1 PRO 145 HG2 -0.23 -0.05 0.04 -0.04 2.03 1.76 2wvaV1 PRO 145 HG3 -0.66 0.11 -0.04 -0.04 2.03 1.41 2wvaV1 PRO 145 HD2 -0.18 0.29 -0.19 -0.04 3.68 3.55 2wvaV1 PRO 145 HD3 -0.25 0.18 0.09 -0.04 3.65 3.63 2wvaV1 ALA 146 H -0.12 0.21 -0.18 -0.55 8.40 7.76 2wvaV1 ALA 146 HA -0.02 0.07 0.38 -0.75 4.34 4.02 2wvaV1 ALA 146 HB3 -0.05 0.02 0.07 -0.04 1.41 1.42 2wvaV1 LYS 147 H -0.07 0.41 -0.16 -0.55 8.42 8.05 2wvaV1 LYS 147 HA 0.02 0.04 0.37 -0.75 4.32 4.00 2wvaV1 LYS 147 HB2 -0.07 0.07 0.03 -0.04 1.87 1.86 2wvaV1 LYS 147 HB3 -0.04 -0.05 -0.08 -0.04 1.79 1.58 2wvaV1 LYS 147 HG2 -0.04 -0.02 -0.01 -0.04 1.46 1.35 2wvaV1 LYS 147 HG3 -0.06 -0.01 0.00 -0.04 1.46 1.35 2wvaV1 LYS 147 HD2 -0.10 -0.04 -0.08 -0.04 1.69 1.43 2wvaV1 LYS 147 HD3 -0.11 -0.00 -0.22 -0.04 1.68 1.31 2wvaV1 LYS 147 HE2 -0.05 0.00 0.04 -0.04 2.99 2.93 2wvaV1 LYS 147 HE3 -0.08 -0.12 0.10 -0.04 2.99 2.85 2wvaV1 ILE 148 H -0.06 0.74 -0.08 -0.55 8.25 8.30 2wvaV1 ILE 148 HA -0.00 -0.01 0.37 -0.75 4.18 3.79 2wvaV1 ILE 148 HB 0.05 0.09 0.05 -0.04 1.89 2.04 2wvaV1 ILE 148 HG12 -0.00 -0.04 -0.06 -0.04 1.49 1.35 2wvaV1 ILE 148 HG13 -0.06 -0.00 -0.00 -0.04 1.21 1.11 2wvaV1 ILE 148 HG23 0.13 0.00 -0.23 -0.04 0.93 0.79 2wvaV1 ILE 148 HD13 0.02 -0.03 -0.14 -0.04 0.88 0.69 2wvaV1 ASP 149 H 0.06 0.58 -0.12 -0.55 8.40 8.37 2wvaV1 ASP 149 HA 0.03 0.04 0.32 -0.75 4.63 4.26 2wvaV1 ASP 149 HB2 0.06 0.05 0.11 -0.04 2.71 2.88 2wvaV1 ASP 149 HB3 0.04 -0.00 -0.04 -0.04 2.70 2.66 2wvaV1 HIS 150 H 0.11 0.54 -0.20 -0.55 8.41 8.32 2wvaV1 HIS 150 HA -0.02 0.05 0.38 -0.75 4.63 4.28 2wvaV1 HIS 150 HB2 -0.02 -0.01 0.10 -0.04 3.26 3.29 2wvaV1 HIS 150 HB3 -0.02 0.05 0.16 -0.04 3.20 3.34 2wvaV1 HIS 150 HD2 -0.01 -0.04 -0.14 -0.04 6.97 6.73 2wvaV1 HIS 150 HE1 -0.01 0.02 -0.02 -0.04 7.75 7.71 2wvaV1 VAL 151 H 0.00 0.47 -0.16 -0.55 8.24 8.01 2wvaV1 VAL 151 HA -0.25 0.03 0.33 -0.75 4.13 3.49 2wvaV1 VAL 151 HB -0.04 -0.06 -0.08 -0.04 2.12 1.90 2wvaV1 VAL 151 HG13 0.05 0.03 -0.09 -0.04 0.97 0.92 2wvaV1 VAL 151 HG23 -0.03 0.05 -0.10 -0.04 0.95 0.83 2wvaV1 ILE 152 H -0.06 0.45 -0.20 -0.55 8.25 7.90 2wvaV1 ILE 152 HA -0.09 0.04 0.50 -0.75 4.18 3.88 2wvaV1 ILE 152 HB -0.06 0.05 0.09 -0.04 1.89 1.92 2wvaV1 ILE 152 HG12 -0.05 -0.02 -0.07 -0.04 1.49 1.31 2wvaV1 ILE 152 HG13 -0.04 0.04 -0.01 -0.04 1.21 1.17 2wvaV1 ILE 152 HG23 -0.14 0.02 -0.16 -0.04 0.93 0.62 2wvaV1 ILE 152 HD13 -0.03 -0.01 -0.16 -0.04 0.88 0.63 2wvaV1 LYS 153 H -0.10 0.63 -0.04 -0.55 8.42 8.35 2wvaV1 LYS 153 HA -0.15 0.23 0.49 -0.75 4.32 4.14 2wvaV1 LYS 153 HB2 -0.08 0.03 0.16 -0.04 1.87 1.94 2wvaV1 LYS 153 HB3 -0.07 -0.02 -0.01 -0.04 1.79 1.65 2wvaV1 LYS 153 HG2 -0.09 0.11 0.15 -0.04 1.46 1.59 2wvaV1 LYS 153 HG3 -0.05 -0.00 0.06 -0.04 1.46 1.43 2wvaV1 LYS 153 HD2 -0.01 0.00 -0.03 -0.04 1.69 1.61 2wvaV1 LYS 153 HD3 0.00 -0.13 -0.05 -0.04 1.68 1.47 2wvaV1 LYS 153 HE2 -0.01 -0.08 -0.02 -0.04 2.99 2.84 2wvaV1 LYS 153 HE3 -0.03 0.19 0.02 -0.04 2.99 3.13 2wvaV1 THR 154 H -0.21 0.41 -0.28 -0.55 8.28 7.65 2wvaV1 THR 154 HA -0.12 0.01 0.39 -0.75 4.39 3.92 2wvaV1 THR 154 HB -0.23 0.02 0.08 -0.04 4.32 4.14 2wvaV1 THR 154 HG23 -0.09 0.01 -0.18 -0.04 1.22 0.91 2wvaV1 ALA 155 H -0.12 0.53 -0.14 -0.55 8.40 8.13 2wvaV1 ALA 155 HA -0.08 0.07 0.41 -0.75 4.34 3.99 2wvaV1 ALA 155 HB3 -0.06 -0.02 0.07 -0.04 1.41 1.35 2wvaV1 LEU 156 H -0.12 0.49 -0.16 -0.55 8.37 8.03 2wvaV1 LEU 156 HA -0.07 0.07 0.48 -0.75 4.35 4.07 2wvaV1 LEU 156 HB2 -0.21 0.15 0.15 -0.04 1.64 1.70 2wvaV1 LEU 156 HB3 -0.17 -0.03 0.04 -0.04 1.64 1.43 2wvaV1 LEU 156 HG -0.20 0.07 0.09 -0.04 1.64 1.56 2wvaV1 LEU 156 HD13 -0.76 -0.02 -0.10 -0.04 0.93 0.01 2wvaV1 LEU 156 HD23 -0.08 -0.01 0.01 -0.04 0.89 0.76 2wvaV1 ARG 157 H -0.09 0.48 -0.12 -0.55 8.46 8.18 2wvaV1 ARG 157 HA -0.04 0.08 0.56 -0.75 4.34 4.18 2wvaV1 ARG 157 HB2 -0.04 0.07 0.10 -0.04 1.90 1.99 2wvaV1 ARG 157 HB3 -0.06 0.00 0.18 -0.04 1.80 1.88 2wvaV1 ARG 157 HG2 -0.05 -0.00 -0.29 -0.04 1.67 1.28 2wvaV1 ARG 157 HG3 -0.03 -0.03 0.05 -0.04 1.67 1.61 2wvaV1 ARG 157 HD2 -0.01 -0.12 0.01 -0.04 3.22 3.06 2wvaV1 ARG 157 HD3 -0.01 0.03 0.03 -0.04 3.22 3.23 2wvaV1 GLU 158 H -0.08 0.59 -0.01 -0.55 8.60 8.55 2wvaV1 GLU 158 HA -0.08 0.02 0.45 -0.75 4.29 3.93 2wvaV1 GLU 158 HB2 -0.10 -0.02 -0.11 -0.04 2.09 1.82 2wvaV1 GLU 158 HB3 -0.09 -0.10 0.03 -0.04 1.99 1.79 2wvaV1 GLU 158 HG2 -0.07 -0.04 0.11 -0.04 2.34 2.30 2wvaV1 GLU 158 HG3 -0.07 -0.01 -0.00 -0.04 2.34 2.22 2wvaV1 LYS 159 H -0.08 0.33 -0.30 -0.55 8.42 7.81 2wvaV1 LYS 159 HA -0.07 0.11 0.28 -0.75 4.32 3.89 2wvaV1 LYS 159 HB2 -0.10 0.06 0.21 -0.04 1.87 2.00 2wvaV1 LYS 159 HB3 -0.08 0.12 0.20 -0.04 1.79 1.99 2wvaV1 LYS 159 HG2 -0.07 0.04 -0.33 -0.04 1.46 1.06 2wvaV1 LYS 159 HG3 -0.07 0.09 0.04 -0.04 1.46 1.48 2wvaV1 LYS 159 HD2 -0.05 -0.06 0.15 -0.04 1.69 1.69 2wvaV1 LYS 159 HD3 -0.04 0.02 0.13 -0.04 1.68 1.75 2wvaV1 LYS 159 HE2 -0.04 0.04 0.11 -0.04 2.99 3.06 2wvaV1 LYS 159 HE3 -0.02 -0.11 0.11 -0.04 2.99 2.92 2wvaV1 LYS 160 H -0.11 0.33 0.02 -0.55 8.42 8.11 2wvaV1 LYS 160 HA -0.25 0.15 0.56 -0.75 4.32 4.03 2wvaV1 LYS 160 HB2 -0.15 -0.10 -0.11 -0.04 1.87 1.48 2wvaV1 LYS 160 HB3 -0.33 -0.02 0.02 -0.04 1.79 1.42 2wvaV1 LYS 160 HG2 -0.26 0.19 -0.72 -0.04 1.46 0.63 2wvaV1 LYS 160 HG3 -0.35 -0.11 -0.13 -0.04 1.46 0.83 2wvaV1 LYS 160 HD2 -1.60 -0.10 0.09 -0.04 1.69 0.03 2wvaV1 LYS 160 HD3 -0.49 0.23 0.18 -0.04 1.68 1.56 2wvaV1 LYS 160 HE2 -0.30 0.06 -0.01 -0.04 2.99 2.69 2wvaV1 LYS 160 HE3 -0.56 -0.12 -0.04 -0.04 2.99 2.23 2wvaV1 PRO 161 HA -0.01 0.14 0.70 -0.51 4.44 4.76 2wvaV1 PRO 161 HB2 0.03 -0.04 0.11 -0.04 2.28 2.34 2wvaV1 PRO 161 HB3 0.00 -0.08 0.23 -0.04 2.02 2.13 2wvaV1 PRO 161 HG2 0.12 0.06 0.18 -0.04 2.03 2.35 2wvaV1 PRO 161 HG3 0.01 0.11 0.16 -0.04 2.03 2.27 2wvaV1 PRO 161 HD2 -0.13 0.06 0.21 -0.04 3.68 3.78 2wvaV1 PRO 161 HD3 -0.08 0.25 -0.21 -0.04 3.65 3.56 2wvaV1 VAL 162 H 0.02 0.46 0.40 -0.55 8.24 8.57 2wvaV1 VAL 162 HA 0.05 0.09 0.92 -0.75 4.13 4.43 2wvaV1 VAL 162 HB 0.00 -0.06 0.10 -0.04 2.12 2.13 2wvaV1 VAL 162 HG13 -0.04 0.05 -0.16 -0.04 0.97 0.77 2wvaV1 VAL 162 HG23 -0.02 0.00 -0.17 -0.04 0.95 0.73 2wvaV1 TYR 163 H 0.13 0.57 0.40 -0.55 8.29 8.84 2wvaV1 TYR 163 HA 0.03 0.31 1.14 -0.75 4.56 5.28 2wvaV1 TYR 163 HB2 0.01 0.04 -0.11 -0.04 3.06 2.96 2wvaV1 TYR 163 HB3 -0.01 -0.01 0.13 -0.04 2.98 3.04 2wvaV1 TYR 163 HD2 0.10 -0.04 -0.17 -0.04 7.15 7.00 2wvaV1 TYR 163 HE2 0.07 -0.11 -0.23 -0.04 6.85 6.55 2wvaV1 LEU 164 H -0.37 0.79 0.44 -0.55 8.37 8.68 2wvaV1 LEU 164 HA -0.27 0.33 0.91 -0.75 4.35 4.57 2wvaV1 LEU 164 HB2 -0.16 0.03 0.07 -0.04 1.64 1.54 2wvaV1 LEU 164 HB3 -0.17 -0.06 -0.09 -0.04 1.64 1.29 2wvaV1 LEU 164 HG -0.07 0.03 -0.24 -0.04 1.64 1.32 2wvaV1 LEU 164 HD13 -0.05 0.00 -0.12 -0.04 0.93 0.72 2wvaV1 LEU 164 HD23 -0.07 0.02 -0.12 -0.04 0.89 0.69 2wvaV1 GLU 165 H -0.29 0.46 0.36 -0.55 8.60 8.59 2wvaV1 GLU 165 HA -0.20 0.34 0.79 -0.75 4.29 4.47 2wvaV1 GLU 165 HB2 0.02 0.03 -0.07 -0.04 2.09 2.03 2wvaV1 GLU 165 HB3 -0.12 -0.01 -0.07 -0.04 1.99 1.74 2wvaV1 GLU 165 HG2 -0.02 0.05 0.06 -0.04 2.34 2.39 2wvaV1 GLU 165 HG3 -0.10 -0.07 -0.15 -0.04 2.34 1.98 2wvaV1 ILE 166 H -0.05 0.54 0.16 -0.55 8.25 8.35 2wvaV1 ILE 166 HA -0.09 0.20 1.00 -0.75 4.18 4.54 2wvaV1 ILE 166 HB -0.03 -0.01 0.01 -0.04 1.89 1.82 2wvaV1 ILE 166 HG12 -0.08 0.03 -0.17 -0.04 1.49 1.23 2wvaV1 ILE 166 HG13 -0.10 -0.09 -0.58 -0.04 1.21 0.40 2wvaV1 ILE 166 HG23 -0.02 0.03 -0.19 -0.04 0.93 0.71 2wvaV1 ILE 166 HD13 -0.04 0.01 -0.17 -0.04 0.88 0.64 2wvaV1 ALA 167 H -0.01 0.56 0.23 -0.55 8.40 8.63 2wvaV1 ALA 167 HA 0.04 0.12 0.35 -0.75 4.34 4.10 2wvaV1 ALA 167 HB3 0.10 -0.04 0.19 -0.04 1.41 1.62 2wvaV1 CYS 168 H 0.07 0.45 0.09 -0.55 8.50 8.57 2wvaV1 CYS 168 HA 0.07 0.12 0.37 -0.75 4.58 4.39 2wvaV1 CYS 168 HB2 0.10 -0.04 0.20 -0.04 2.97 3.18 2wvaV1 CYS 168 HB3 0.21 0.15 0.38 -0.04 2.97 3.67 2wvaV1 ASN 169 H 0.05 0.00 -0.31 -0.55 8.53 7.73 2wvaV1 ASN 169 HA 0.03 0.23 0.71 -0.75 4.76 4.97 2wvaV1 ASN 169 HB2 0.03 0.11 0.19 -0.04 2.88 3.16 2wvaV1 ASN 169 HB3 0.03 -0.02 0.09 -0.04 2.79 2.86 2wvaV1 ASN 169 HD21 0.04 -0.03 0.05 -0.04 7.03 7.06 2wvaV1 ASN 169 HD22 0.03 0.12 0.05 -0.04 7.74 7.90 2wvaV1 ILE 170 H 0.03 0.49 -0.24 -0.55 8.25 7.98 2wvaV1 ILE 170 HA 0.02 0.28 1.03 -0.75 4.18 4.75 2wvaV1 ILE 170 HB 0.01 -0.01 0.05 -0.04 1.89 1.90 2wvaV1 ILE 170 HG12 0.01 0.21 -0.04 -0.04 1.49 1.63 2wvaV1 ILE 170 HG13 -0.00 0.01 -0.39 -0.04 1.21 0.78 2wvaV1 ILE 170 HG23 0.03 0.00 -0.12 -0.04 0.93 0.80 2wvaV1 ILE 170 HD13 -0.02 0.01 -0.47 -0.04 0.88 0.36 2wvaV1 ALA 171 H 0.02 0.21 -0.17 -0.55 8.40 7.92 2wvaV1 ALA 171 HA 0.01 0.05 0.22 -0.75 4.34 3.86 2wvaV1 ALA 171 HB3 0.02 0.03 -0.06 -0.04 1.41 1.36 2wvaV1 SER 172 H 0.02 0.07 -0.45 -0.55 8.46 7.56 2wvaV1 SER 172 HA 0.02 0.17 0.80 -0.75 4.49 4.72 2wvaV1 SER 172 HB2 0.01 -0.03 -0.03 -0.04 3.95 3.86 2wvaV1 SER 172 HB3 0.01 0.07 0.06 -0.04 3.93 4.02 2wvaV1 MET 173 H 0.02 0.33 -0.26 -0.55 8.47 8.01 2wvaV1 MET 173 HA 0.01 0.17 0.56 -0.75 4.52 4.50 2wvaV1 MET 173 HB2 0.01 -0.00 0.19 -0.04 2.15 2.31 2wvaV1 MET 173 HB3 0.01 0.08 0.14 -0.04 2.03 2.22 2wvaV1 MET 173 HG2 0.01 0.05 0.03 -0.04 2.63 2.68 2wvaV1 MET 173 HG3 0.01 -0.12 0.12 -0.04 2.56 2.53 2wvaV1 MET 173 HE3 0.01 0.01 0.07 -0.04 2.10 2.15 2wvaV1 PRO 174 HA 0.04 0.35 0.63 -0.51 4.44 4.96 2wvaV1 PRO 174 HB2 0.02 -0.05 0.00 -0.04 2.28 2.21 2wvaV1 PRO 174 HB3 0.03 0.11 0.11 -0.04 2.02 2.22 2wvaV1 PRO 174 HG2 0.01 -0.00 0.09 -0.04 2.03 2.09 2wvaV1 PRO 174 HG3 0.01 0.10 0.09 -0.04 2.03 2.20 2wvaV1 PRO 174 HD2 0.01 0.03 0.23 -0.04 3.68 3.91 2wvaV1 PRO 174 HD3 0.01 0.13 0.29 -0.04 3.65 4.05 2wvaV1 CYS 175 H 0.08 0.63 0.21 -0.55 8.50 8.86 2wvaV1 CYS 175 HA -0.00 0.03 0.41 -0.75 4.58 4.26 2wvaV1 CYS 175 HB2 -0.10 -0.08 0.10 -0.04 2.97 2.85 2wvaV1 CYS 175 HB3 -0.04 0.01 -0.15 -0.04 2.97 2.75 2wvaV1 ALA 176 H -0.03 0.06 0.09 -0.55 8.40 7.97 2wvaV1 ALA 176 HA 0.06 0.05 0.37 -0.75 4.34 4.07 2wvaV1 ALA 176 HB3 0.01 0.00 0.09 -0.04 1.41 1.48 2wvaV1 ALA 177 H 0.07 0.09 0.15 -0.55 8.40 8.16 2wvaV1 ALA 177 HA -0.19 0.19 0.80 -0.75 4.34 4.39 2wvaV1 ALA 177 HB3 0.05 0.01 0.04 -0.04 1.41 1.47 2wvaV1 PRO 178 HA -0.17 -0.02 0.49 -0.51 4.44 4.23 2wvaV1 PRO 178 HB2 -0.38 0.16 -0.05 -0.04 2.28 1.97 2wvaV1 PRO 178 HB3 -0.70 0.01 0.02 -0.04 2.02 1.30 2wvaV1 PRO 178 HG2 -0.74 0.05 0.07 -0.04 2.03 1.37 2wvaV1 PRO 178 HG3 -1.36 0.02 0.09 -0.04 2.03 0.73 2wvaV1 PRO 178 HD2 -1.12 0.12 0.16 -0.04 3.68 2.80 2wvaV1 PRO 178 HD3 -1.29 0.11 0.22 -0.04 3.65 2.65 2wvaV1 GLY 179 H -0.05 0.04 0.10 -0.55 8.43 7.97 2wvaV1 GLY 179 HA2 -0.04 0.10 0.56 -0.51 4.01 4.12 2wvaV1 GLY 179 HA3 -0.02 0.01 0.36 -0.51 4.01 3.84 2wvaV1 PRO 180 HA -0.01 0.09 0.39 -0.51 4.44 4.40 2wvaV1 PRO 180 HB2 0.01 -0.09 0.04 -0.04 2.28 2.19 2wvaV1 PRO 180 HB3 0.00 0.06 0.10 -0.04 2.02 2.15 2wvaV1 PRO 180 HG2 0.00 0.05 0.08 -0.04 2.03 2.12 2wvaV1 PRO 180 HG3 -0.00 0.08 0.09 -0.04 2.03 2.16 2wvaV1 PRO 180 HD2 -0.01 0.09 0.17 -0.04 3.68 3.89 2wvaV1 PRO 180 HD3 -0.01 0.13 0.22 -0.04 3.65 3.95 2wvaV1 ALA 181 H 0.00 0.19 0.17 -0.55 8.40 8.21 2wvaV1 ALA 181 HA 0.03 0.11 0.40 -0.75 4.34 4.13 2wvaV1 ALA 181 HB3 0.08 0.07 0.11 -0.04 1.41 1.63 2wvaV1 SER 182 H 0.04 0.03 -0.32 -0.55 8.46 7.67 2wvaV1 SER 182 HA 0.15 0.14 0.30 -0.75 4.49 4.33 2wvaV1 SER 182 HB2 0.04 0.04 0.02 -0.04 3.95 4.00 2wvaV1 SER 182 HB3 0.02 0.03 0.06 -0.04 3.93 4.00 2wvaV1 ALA 183 H 0.04 0.35 -0.38 -0.55 8.40 7.86 2wvaV1 ALA 183 HA 0.03 0.03 0.43 -0.75 4.34 4.07 2wvaV1 ALA 183 HB3 0.01 0.01 0.03 -0.04 1.41 1.42 2wvaV1 LEU 184 H 0.04 0.47 -0.32 -0.55 8.37 8.01 2wvaV1 LEU 184 HA -0.10 0.04 0.41 -0.75 4.35 3.94 2wvaV1 LEU 184 HB2 -0.26 0.17 0.03 -0.04 1.64 1.54 2wvaV1 LEU 184 HB3 -0.33 0.00 -0.03 -0.04 1.64 1.24 2wvaV1 LEU 184 HG -0.04 -0.04 -0.02 -0.04 1.64 1.49 2wvaV1 LEU 184 HD13 -0.09 -0.00 -0.05 -0.04 0.93 0.75 2wvaV1 LEU 184 HD23 -0.07 -0.03 -0.08 -0.04 0.89 0.67 2wvaV1 PHE 185 H 0.23 0.19 -0.24 -0.55 8.34 7.96 2wvaV1 PHE 185 HA -0.01 0.23 0.70 -0.75 4.62 4.78 2wvaV1 PHE 185 HB2 -0.01 -0.03 0.05 -0.04 3.15 3.11 2wvaV1 PHE 185 HB3 -0.01 -0.01 0.08 -0.04 3.06 3.08 2wvaV1 PHE 185 HD2 -0.02 0.02 -0.01 -0.04 7.28 7.24 2wvaV1 PHE 185 HE2 -0.02 0.09 -0.01 -0.04 7.38 7.39 2wvaV1 PHE 185 HZ -0.01 0.10 0.07 -0.04 7.32 7.43 2wvaV1 ASN 186 H 0.08 0.14 -0.32 -0.55 8.53 7.88 2wvaV1 ASN 186 HA 0.06 -0.06 0.40 -0.75 4.76 4.41 2wvaV1 ASN 186 HB2 0.04 0.02 0.14 -0.04 2.88 3.05 2wvaV1 ASN 186 HB3 0.03 0.03 0.09 -0.04 2.79 2.89 2wvaV1 ASN 186 HD21 0.02 -0.08 -0.08 -0.04 7.03 6.85 2wvaV1 ASN 186 HD22 0.02 0.01 -0.09 -0.04 7.74 7.63 2wvaV1 ASP 187 H 0.05 0.17 0.26 -0.55 8.40 8.33 2wvaV1 ASP 187 HA 0.04 0.10 0.80 -0.75 4.63 4.81 2wvaV1 ASP 187 HB2 0.05 0.18 -0.14 -0.04 2.71 2.76 2wvaV1 ASP 187 HB3 0.08 -0.02 0.04 -0.04 2.70 2.77 2wvaV1 GLU 188 H 0.07 0.10 0.14 -0.55 8.60 8.37 2wvaV1 GLU 188 HA 0.03 0.01 0.53 -0.75 4.29 4.11 2wvaV1 GLU 188 HB2 0.02 -0.02 0.15 -0.04 2.09 2.20 2wvaV1 GLU 188 HB3 0.04 -0.03 0.13 -0.04 1.99 2.09 2wvaV1 GLU 188 HG2 0.16 -0.01 0.04 -0.04 2.34 2.49 2wvaV1 GLU 188 HG3 0.11 0.14 -0.22 -0.04 2.34 2.33 2wvaV1 ALA 189 H -0.03 0.04 0.19 -0.55 8.40 8.05 2wvaV1 ALA 189 HA -0.17 0.16 0.75 -0.75 4.34 4.33 2wvaV1 ALA 189 HB3 -0.07 -0.01 0.12 -0.04 1.41 1.42 2wvaV1 SER 190 H -0.33 0.06 0.14 -0.55 8.46 7.79 2wvaV1 SER 190 HA -0.31 0.18 0.47 -0.75 4.49 4.08 2wvaV1 SER 190 HB2 -0.12 -0.03 0.05 -0.04 3.95 3.82 2wvaV1 SER 190 HB3 -0.08 0.10 0.13 -0.04 3.93 4.04 2wvaV1 ASP 191 H -0.04 0.65 0.36 -0.55 8.40 8.83 2wvaV1 ASP 191 HA -0.02 0.07 0.74 -0.75 4.63 4.67 2wvaV1 ASP 191 HB2 0.01 0.09 0.19 -0.04 2.71 2.96 2wvaV1 ASP 191 HB3 0.02 0.08 0.22 -0.04 2.70 2.98 2wvaV1 GLU 192 H -0.02 0.20 0.17 -0.55 8.60 8.40 2wvaV1 GLU 192 HA -0.03 0.09 0.23 -0.75 4.29 3.83 2wvaV1 GLU 192 HB2 -0.02 0.08 0.15 -0.04 2.09 2.26 2wvaV1 GLU 192 HB3 -0.01 -0.04 0.12 -0.04 1.99 2.02 2wvaV1 GLU 192 HG2 -0.01 0.03 -0.00 -0.04 2.34 2.32 2wvaV1 GLU 192 HG3 -0.02 -0.02 -0.10 -0.04 2.34 2.16 2wvaV1 ALA 193 H 0.00 0.11 -0.05 -0.55 8.40 7.91 2wvaV1 ALA 193 HA 0.00 0.08 0.34 -0.75 4.34 4.00 2wvaV1 ALA 193 HB3 0.02 0.02 0.06 -0.04 1.41 1.47 2wvaV1 SER 194 H 0.02 0.07 -0.40 -0.55 8.46 7.61 2wvaV1 SER 194 HA 0.08 0.05 0.42 -0.75 4.49 4.29 2wvaV1 SER 194 HB2 0.04 0.10 0.07 -0.04 3.95 4.12 2wvaV1 SER 194 HB3 0.13 0.07 -0.07 -0.04 3.93 4.02 2wvaV1 LEU 195 H -0.02 0.68 -0.03 -0.55 8.37 8.45 2wvaV1 LEU 195 HA -0.04 0.01 0.37 -0.75 4.35 3.94 2wvaV1 LEU 195 HB2 -0.03 -0.04 0.03 -0.04 1.64 1.56 2wvaV1 LEU 195 HB3 -0.03 0.10 0.12 -0.04 1.64 1.79 2wvaV1 LEU 195 HG -0.03 0.03 -0.27 -0.04 1.64 1.33 2wvaV1 LEU 195 HD13 0.03 0.00 -0.17 -0.04 0.93 0.75 2wvaV1 LEU 195 HD23 -0.03 -0.01 -0.08 -0.04 0.89 0.73 2wvaV1 ASN 196 H -0.04 0.60 -0.11 -0.55 8.53 8.43 2wvaV1 ASN 196 HA -0.05 0.04 0.42 -0.75 4.76 4.42 2wvaV1 ASN 196 HB2 -0.03 0.06 0.09 -0.04 2.88 2.96 2wvaV1 ASN 196 HB3 -0.03 -0.02 -0.01 -0.04 2.79 2.68 2wvaV1 ASN 196 HD21 -0.02 -0.03 -0.04 -0.04 7.03 6.90 2wvaV1 ASN 196 HD22 -0.01 -0.03 -0.08 -0.04 7.74 7.57 2wvaV1 ALA 197 H -0.10 0.52 -0.15 -0.55 8.40 8.13 2wvaV1 ALA 197 HA -0.07 0.00 0.45 -0.75 4.34 3.96 2wvaV1 ALA 197 HB3 0.01 0.01 0.09 -0.04 1.41 1.48 2wvaV1 ALA 198 H -0.50 0.68 -0.17 -0.55 8.40 7.86 2wvaV1 ALA 198 HA -1.00 0.02 0.39 -0.75 4.34 3.00 2wvaV1 ALA 198 HB3 -0.41 0.01 0.04 -0.04 1.41 1.01 2wvaV1 VAL 199 H -0.10 0.49 -0.18 -0.55 8.24 7.89 2wvaV1 VAL 199 HA -0.03 0.05 0.48 -0.75 4.13 3.88 2wvaV1 VAL 199 HB -0.06 0.07 0.14 -0.04 2.12 2.23 2wvaV1 VAL 199 HG13 -0.07 -0.00 -0.20 -0.04 0.97 0.66 2wvaV1 VAL 199 HG23 -0.13 0.03 -0.02 -0.04 0.95 0.80 2wvaV1 GLU 200 H -0.06 0.64 -0.04 -0.55 8.60 8.59 2wvaV1 GLU 200 HA 0.00 0.03 0.39 -0.75 4.29 3.96 2wvaV1 GLU 200 HB2 -0.01 0.07 0.12 -0.04 2.09 2.22 2wvaV1 GLU 200 HB3 0.01 -0.05 0.00 -0.04 1.99 1.91 2wvaV1 GLU 200 HG2 -0.02 0.18 0.08 -0.04 2.34 2.53 2wvaV1 GLU 200 HG3 -0.00 -0.06 -0.01 -0.04 2.34 2.22 2wvaV1 GLU 201 H -0.04 0.59 -0.25 -0.55 8.60 8.37 2wvaV1 GLU 201 HA 0.09 0.00 0.45 -0.75 4.29 4.08 2wvaV1 GLU 201 HB2 0.06 0.09 0.08 -0.04 2.09 2.28 2wvaV1 GLU 201 HB3 0.16 -0.02 -0.07 -0.04 1.99 2.02 2wvaV1 GLU 201 HG2 0.12 0.08 0.05 -0.04 2.34 2.54 2wvaV1 GLU 201 HG3 0.43 -0.03 -0.04 -0.04 2.34 2.66 2wvaV1 THR 202 H 0.05 0.43 -0.36 -0.55 8.28 7.85 2wvaV1 THR 202 HA 0.13 -0.02 0.43 -0.75 4.39 4.18 2wvaV1 THR 202 HB 0.05 0.15 0.13 -0.04 4.32 4.60 2wvaV1 THR 202 HG23 0.11 -0.02 -0.10 -0.04 1.22 1.17 2wvaV1 LEU 203 H 0.05 0.54 -0.09 -0.55 8.37 8.32 2wvaV1 LEU 203 HA 0.07 0.05 0.45 -0.75 4.35 4.17 2wvaV1 LEU 203 HB2 0.03 0.07 0.13 -0.04 1.64 1.83 2wvaV1 LEU 203 HB3 0.03 -0.02 -0.02 -0.04 1.64 1.59 2wvaV1 LEU 203 HG 0.01 0.18 -0.01 -0.04 1.64 1.78 2wvaV1 LEU 203 HD13 0.01 -0.02 -0.11 -0.04 0.93 0.77 2wvaV1 LEU 203 HD23 0.04 -0.00 -0.11 -0.04 0.89 0.77 2wvaV1 LYS 204 H 0.08 0.59 -0.12 -0.55 8.42 8.41 2wvaV1 LYS 204 HA 0.05 -0.01 0.42 -0.75 4.32 4.02 2wvaV1 LYS 204 HB2 0.10 0.10 0.16 -0.04 1.87 2.19 2wvaV1 LYS 204 HB3 0.08 -0.04 -0.03 -0.04 1.79 1.77 2wvaV1 LYS 204 HG2 0.04 -0.06 0.03 -0.04 1.46 1.43 2wvaV1 LYS 204 HG3 0.04 -0.01 0.04 -0.04 1.46 1.49 2wvaV1 LYS 204 HD2 0.04 -0.06 -0.04 -0.04 1.69 1.59 2wvaV1 LYS 204 HD3 0.06 0.08 -0.12 -0.04 1.68 1.66 2wvaV1 LYS 204 HE2 0.08 0.05 -0.01 -0.04 2.99 3.06 2wvaV1 LYS 204 HE3 0.05 -0.04 -0.01 -0.04 2.99 2.95 2wvaV1 PHE 205 H 0.23 0.43 -0.36 -0.55 8.34 8.09 2wvaV1 PHE 205 HA 0.03 -0.00 0.36 -0.75 4.62 4.25 2wvaV1 PHE 205 HB2 0.05 0.03 0.11 -0.04 3.15 3.31 2wvaV1 PHE 205 HB3 0.05 0.12 0.12 -0.04 3.06 3.31 2wvaV1 PHE 205 HD2 0.04 -0.00 -0.08 -0.04 7.28 7.20 2wvaV1 PHE 205 HE2 0.03 0.02 -0.03 -0.04 7.38 7.35 2wvaV1 PHE 205 HZ 0.02 0.18 -0.05 -0.04 7.32 7.43 2wvaV1 ILE 206 H 0.15 0.46 -0.22 -0.55 8.25 8.09 2wvaV1 ILE 206 HA -0.06 0.12 0.67 -0.75 4.18 4.16 2wvaV1 ILE 206 HB 0.07 0.03 0.14 -0.04 1.89 2.09 2wvaV1 ILE 206 HG12 0.12 0.23 0.12 -0.04 1.49 1.92 2wvaV1 ILE 206 HG13 0.06 0.04 -0.20 -0.04 1.21 1.06 2wvaV1 ILE 206 HG23 0.24 -0.00 -0.06 -0.04 0.93 1.07 2wvaV1 ILE 206 HD13 0.11 -0.04 -0.04 -0.04 0.88 0.87 2wvaV1 ALA 207 H 0.01 0.31 -0.52 -0.55 8.40 7.65 2wvaV1 ALA 207 HA 0.01 0.02 0.35 -0.75 4.34 3.96 2wvaV1 ALA 207 HB3 0.00 -0.01 0.09 -0.04 1.41 1.44 2wvaV1 ASN 208 H -0.06 0.22 -0.25 -0.55 8.53 7.88 2wvaV1 ASN 208 HA -0.03 0.20 0.87 -0.75 4.76 5.05 2wvaV1 ASN 208 HB2 -0.05 0.02 0.11 -0.04 2.88 2.92 2wvaV1 ASN 208 HB3 -0.03 -0.05 0.17 -0.04 2.79 2.84 2wvaV1 ASN 208 HD21 -0.01 -0.01 -0.13 -0.04 7.03 6.84 2wvaV1 ASN 208 HD22 -0.02 0.02 -0.13 -0.04 7.74 7.56 2wvaV1 ARG 209 H -0.05 0.60 -0.54 -0.55 8.46 7.92 2wvaV1 ARG 209 HA -0.06 0.04 0.59 -0.75 4.34 4.16 2wvaV1 ARG 209 HB2 -0.09 0.03 0.10 -0.04 1.90 1.90 2wvaV1 ARG 209 HB3 -0.07 -0.10 -0.12 -0.04 1.80 1.46 2wvaV1 ARG 209 HG2 -0.17 0.01 0.02 -0.04 1.67 1.49 2wvaV1 ARG 209 HG3 -0.23 -0.08 -0.40 -0.04 1.67 0.92 2wvaV1 ARG 209 HD2 -0.59 -0.01 -0.07 -0.04 3.22 2.52 2wvaV1 ARG 209 HD3 -0.28 0.19 -0.07 -0.04 3.22 3.02 2wvaV1 ASP 210 H -0.02 0.11 0.03 -0.55 8.40 7.97 2wvaV1 ASP 210 HA -0.00 0.29 0.53 -0.75 4.63 4.70 2wvaV1 ASP 210 HB2 -0.00 0.08 0.05 -0.04 2.71 2.80 2wvaV1 ASP 210 HB3 0.00 -0.02 0.08 -0.04 2.70 2.72 2wvaV1 LYS 211 H -0.02 0.11 -0.02 -0.55 8.42 7.94 2wvaV1 LYS 211 HA 0.01 -0.12 0.74 -0.75 4.32 4.20 2wvaV1 LYS 211 HB2 -0.06 -0.12 0.25 -0.04 1.87 1.90 2wvaV1 LYS 211 HB3 -0.05 0.06 -0.09 -0.04 1.79 1.67 2wvaV1 LYS 211 HG2 0.01 -0.06 -0.18 -0.04 1.46 1.19 2wvaV1 LYS 211 HG3 -0.03 -0.03 0.03 -0.04 1.46 1.39 2wvaV1 LYS 211 HD2 -0.21 0.15 -0.15 -0.04 1.69 1.44 2wvaV1 LYS 211 HD3 -0.08 0.03 -0.12 -0.04 1.68 1.47 2wvaV1 LYS 211 HE2 -0.05 0.00 -0.03 -0.04 2.99 2.88 2wvaV1 LYS 211 HE3 -0.00 -0.06 -0.02 -0.04 2.99 2.86 2wvaV1 VAL 212 H 0.01 0.33 0.17 -0.55 8.24 8.20 2wvaV1 VAL 212 HA 0.04 0.26 0.94 -0.75 4.13 4.62 2wvaV1 VAL 212 HB 0.02 0.04 0.18 -0.04 2.12 2.32 2wvaV1 VAL 212 HG13 0.10 -0.01 -0.15 -0.04 0.97 0.87 2wvaV1 VAL 212 HG23 0.05 0.01 -0.10 -0.04 0.95 0.87 2wvaV1 ALA 213 H 0.04 0.74 0.43 -0.55 8.40 9.06 2wvaV1 ALA 213 HA -0.00 0.22 1.06 -0.75 4.34 4.86 2wvaV1 ALA 213 HB3 0.01 -0.01 -0.00 -0.04 1.41 1.36 2wvaV1 VAL 214 H -0.03 0.91 0.40 -0.55 8.24 8.97 2wvaV1 VAL 214 HA 0.06 0.21 1.08 -0.75 4.13 4.74 2wvaV1 VAL 214 HB -0.08 -0.02 0.14 -0.04 2.12 2.12 2wvaV1 VAL 214 HG13 0.03 0.00 -0.14 -0.04 0.97 0.82 2wvaV1 VAL 214 HG23 0.11 0.00 -0.15 -0.04 0.95 0.88 2wvaV1 LEU 215 H 0.03 0.66 0.19 -0.55 8.37 8.71 2wvaV1 LEU 215 HA -0.03 0.31 1.01 -0.75 4.35 4.88 2wvaV1 LEU 215 HB2 0.05 0.01 -0.15 -0.04 1.64 1.51 2wvaV1 LEU 215 HB3 0.07 -0.07 0.04 -0.04 1.64 1.64 2wvaV1 LEU 215 HG 0.00 -0.03 -0.29 -0.04 1.64 1.28 2wvaV1 LEU 215 HD13 0.00 0.04 -0.16 -0.04 0.93 0.77 2wvaV1 LEU 215 HD23 0.20 -0.01 -0.12 -0.04 0.89 0.92 2wvaV1 VAL 216 H -0.06 0.77 0.37 -0.55 8.24 8.76 2wvaV1 VAL 216 HA -0.01 0.09 0.71 -0.75 4.13 4.17 2wvaV1 VAL 216 HB -0.03 -0.08 0.12 -0.04 2.12 2.09 2wvaV1 VAL 216 HG13 0.12 0.00 -0.17 -0.04 0.97 0.88 2wvaV1 VAL 216 HG23 -0.14 0.02 -0.11 -0.04 0.95 0.68 2wvaV1 GLY 217 H -0.00 0.53 0.31 -0.55 8.43 8.72 2wvaV1 GLY 217 HA2 -0.14 -0.05 0.60 -0.51 4.01 3.91 2wvaV1 GLY 217 HA3 -0.10 0.12 -0.12 -0.51 4.01 3.40 2wvaV1 SER 218 H -0.14 -0.00 0.20 -0.55 8.46 7.98 2wvaV1 SER 218 HA 0.06 0.17 0.34 -0.75 4.49 4.30 2wvaV1 SER 218 HB2 -0.09 0.15 0.12 -0.04 3.95 4.09 2wvaV1 SER 218 HB3 -0.23 -0.19 -0.13 -0.04 3.93 3.34 2wvaV1 LYS 219 H -0.01 0.54 -0.25 -0.55 8.42 8.14 2wvaV1 LYS 219 HA 0.01 0.28 1.01 -0.75 4.32 4.87 2wvaV1 LYS 219 HB2 -0.05 0.05 0.04 -0.04 1.87 1.86 2wvaV1 LYS 219 HB3 -0.05 -0.01 0.18 -0.04 1.79 1.87 2wvaV1 LYS 219 HG2 -0.05 0.14 0.02 -0.04 1.46 1.53 2wvaV1 LYS 219 HG3 -0.04 -0.11 -0.27 -0.04 1.46 1.00 2wvaV1 LYS 219 HD2 -0.05 -0.05 -0.10 -0.04 1.69 1.45 2wvaV1 LYS 219 HD3 -0.06 -0.02 -0.12 -0.04 1.68 1.43 2wvaV1 LYS 219 HE2 -0.06 -0.05 0.02 -0.04 2.99 2.86 2wvaV1 LYS 219 HE3 -0.07 0.13 0.01 -0.04 2.99 3.03 2wvaV1 LEU 220 H 0.11 0.43 -0.12 -0.55 8.37 8.25 2wvaV1 LEU 220 HA -0.02 0.03 0.34 -0.75 4.35 3.95 2wvaV1 LEU 220 HB2 0.09 0.13 0.16 -0.04 1.64 1.99 2wvaV1 LEU 220 HB3 0.03 0.04 0.09 -0.04 1.64 1.76 2wvaV1 LEU 220 HG -0.02 -0.18 -0.31 -0.04 1.64 1.09 2wvaV1 LEU 220 HD13 0.03 0.01 -0.07 -0.04 0.93 0.85 2wvaV1 LEU 220 HD23 0.12 0.05 0.01 -0.04 0.89 1.04 2wvaV1 ARG 221 H -0.44 0.20 -0.14 -0.55 8.46 7.53 2wvaV1 ARG 221 HA -0.29 -0.04 0.54 -0.75 4.34 3.80 2wvaV1 ARG 221 HB2 -1.02 -0.00 0.11 -0.04 1.90 0.94 2wvaV1 ARG 221 HB3 -0.46 0.08 0.09 -0.04 1.80 1.47 2wvaV1 ARG 221 HG2 -0.16 0.11 -0.17 -0.04 1.67 1.41 2wvaV1 ARG 221 HG3 -0.22 -0.08 0.09 -0.04 1.67 1.42 2wvaV1 ARG 221 HD2 -0.09 0.11 0.02 -0.04 3.22 3.21 2wvaV1 ARG 221 HD3 -0.25 -0.04 0.03 -0.04 3.22 2.92 2wvaV1 ALA 222 H -0.11 0.06 -0.22 -0.55 8.40 7.59 2wvaV1 ALA 222 HA -0.08 0.19 0.48 -0.75 4.34 4.17 2wvaV1 ALA 222 HB3 -0.07 0.05 0.18 -0.04 1.41 1.53 2wvaV1 ALA 223 H -0.08 0.26 -0.40 -0.55 8.40 7.64 2wvaV1 ALA 223 HA -0.07 0.16 0.67 -0.75 4.34 4.34 2wvaV1 ALA 223 HB3 -0.05 -0.05 0.15 -0.04 1.41 1.43 2wvaV1 GLY 224 H -0.08 0.50 -0.42 -0.55 8.43 7.88 2wvaV1 GLY 224 HA2 -0.07 0.07 0.39 -0.51 4.01 3.90 2wvaV1 GLY 224 HA3 -0.04 0.08 0.45 -0.51 4.01 3.99 2wvaV1 ALA 225 H -0.06 0.51 -0.05 -0.55 8.40 8.25 2wvaV1 ALA 225 HA -0.01 0.14 0.75 -0.75 4.34 4.47 2wvaV1 ALA 225 HB3 0.00 0.02 -0.10 -0.04 1.41 1.29 2wvaV1 GLU 226 H -0.06 0.21 -0.12 -0.55 8.60 8.08 2wvaV1 GLU 226 HA 0.02 0.14 0.47 -0.75 4.29 4.17 2wvaV1 GLU 226 HB2 -0.08 -0.00 0.08 -0.04 2.09 2.05 2wvaV1 GLU 226 HB3 -0.05 0.06 -0.03 -0.04 1.99 1.92 2wvaV1 GLU 226 HG2 -0.09 0.20 0.09 -0.04 2.34 2.50 2wvaV1 GLU 226 HG3 -0.19 -0.12 -0.11 -0.04 2.34 1.88 2wvaV1 GLU 227 H -0.02 0.18 -0.12 -0.55 8.60 8.09 2wvaV1 GLU 227 HA -0.03 0.11 0.44 -0.75 4.29 4.06 2wvaV1 GLU 227 HB2 -0.03 0.07 0.08 -0.04 2.09 2.17 2wvaV1 GLU 227 HB3 -0.01 0.02 0.08 -0.04 1.99 2.04 2wvaV1 GLU 227 HG2 -0.01 -0.04 -0.14 -0.04 2.34 2.12 2wvaV1 GLU 227 HG3 -0.03 0.01 0.04 -0.04 2.34 2.32 2wvaV1 ALA 228 H 0.01 0.13 -0.20 -0.55 8.40 7.80 2wvaV1 ALA 228 HA 0.04 0.06 0.37 -0.75 4.34 4.05 2wvaV1 ALA 228 HB3 0.02 0.02 0.08 -0.04 1.41 1.49 2wvaV1 ALA 229 H 0.08 0.39 -0.45 -0.55 8.40 7.87 2wvaV1 ALA 229 HA 0.20 0.02 0.45 -0.75 4.34 4.26 2wvaV1 ALA 229 HB3 0.20 0.05 0.09 -0.04 1.41 1.71 2wvaV1 VAL 230 H 0.09 0.39 -0.14 -0.55 8.24 8.04 2wvaV1 VAL 230 HA 0.19 0.03 0.55 -0.75 4.13 4.13 2wvaV1 VAL 230 HB -0.03 0.16 0.18 -0.04 2.12 2.39 2wvaV1 VAL 230 HG13 -0.07 -0.02 -0.06 -0.04 0.97 0.78 2wvaV1 VAL 230 HG23 -0.28 0.06 0.12 -0.04 0.95 0.80 2wvaV1 LYS 231 H 0.06 0.41 -0.12 -0.55 8.42 8.21 2wvaV1 LYS 231 HA 0.03 0.02 0.41 -0.75 4.32 4.03 2wvaV1 LYS 231 HB2 0.05 0.05 0.14 -0.04 1.87 2.08 2wvaV1 LYS 231 HB3 0.05 0.03 -0.03 -0.04 1.79 1.79 2wvaV1 LYS 231 HG2 0.01 -0.01 0.03 -0.04 1.46 1.45 2wvaV1 LYS 231 HG3 0.01 0.02 0.02 -0.04 1.46 1.47 2wvaV1 LYS 231 HD2 0.02 0.04 -0.01 -0.04 1.69 1.69 2wvaV1 LYS 231 HD3 0.01 -0.02 -0.01 -0.04 1.68 1.62 2wvaV1 LYS 231 HE2 0.01 -0.02 -0.08 -0.04 2.99 2.86 2wvaV1 LYS 231 HE3 0.00 -0.01 -0.03 -0.04 2.99 2.91 2wvaV1 PHE 232 H 0.21 0.48 -0.24 -0.55 8.34 8.24 2wvaV1 PHE 232 HA -0.03 0.05 0.44 -0.75 4.62 4.33 2wvaV1 PHE 232 HB2 -0.04 0.12 0.12 -0.04 3.15 3.30 2wvaV1 PHE 232 HB3 0.01 0.05 0.15 -0.04 3.06 3.23 2wvaV1 PHE 232 HD2 -0.04 0.02 -0.14 -0.04 7.28 7.09 2wvaV1 PHE 232 HE2 -0.03 0.00 -0.11 -0.04 7.38 7.20 2wvaV1 PHE 232 HZ -0.01 0.01 -0.10 -0.04 7.32 7.18 2wvaV1 ALA 233 H 0.12 0.52 -0.20 -0.55 8.40 8.29 2wvaV1 ALA 233 HA -0.39 -0.02 0.33 -0.75 4.34 3.50 2wvaV1 ALA 233 HB3 0.18 0.01 0.07 -0.04 1.41 1.63 2wvaV1 ASP 234 H -0.02 0.63 -0.14 -0.55 8.40 8.32 2wvaV1 ASP 234 HA -0.07 -0.01 0.48 -0.75 4.63 4.29 2wvaV1 ASP 234 HB2 0.01 0.11 0.13 -0.04 2.71 2.93 2wvaV1 ASP 234 HB3 0.05 -0.04 0.01 -0.04 2.70 2.68 2wvaV1 ALA 235 H -0.12 0.41 -0.21 -0.55 8.40 7.94 2wvaV1 ALA 235 HA -0.06 0.00 0.41 -0.75 4.34 3.93 2wvaV1 ALA 235 HB3 -0.06 0.02 0.13 -0.04 1.41 1.46 2wvaV1 LEU 236 H -0.43 0.54 -0.12 -0.55 8.37 7.81 2wvaV1 LEU 236 HA -0.21 0.14 0.30 -0.75 4.35 3.83 2wvaV1 LEU 236 HB2 -0.89 0.05 0.05 -0.04 1.64 0.80 2wvaV1 LEU 236 HB3 -0.57 -0.02 0.11 -0.04 1.64 1.12 2wvaV1 LEU 236 HG -0.17 -0.03 -0.13 -0.04 1.64 1.27 2wvaV1 LEU 236 HD13 -0.06 0.04 0.03 -0.04 0.93 0.89 2wvaV1 LEU 236 HD23 -0.18 -0.03 -0.10 -0.04 0.89 0.53 2wvaV1 GLY 237 H -0.42 0.56 -0.18 -0.55 8.43 7.84 2wvaV1 GLY 237 HA2 -0.40 0.03 0.29 -0.51 4.01 3.43 2wvaV1 GLY 237 HA3 -0.05 -0.01 0.40 -0.51 4.01 3.84 2wvaV1 GLY 238 H -0.25 0.03 -0.24 -0.55 8.43 7.42 2wvaV1 GLY 238 HA2 -0.01 0.06 0.84 -0.51 4.01 4.40 2wvaV1 GLY 238 HA3 -0.07 0.11 0.36 -0.51 4.01 3.90 2wvaV1 ALA 239 H 0.00 0.17 0.25 -0.55 8.40 8.28 2wvaV1 ALA 239 HA -0.01 0.30 0.73 -0.75 4.34 4.60 2wvaV1 ALA 239 HB3 -0.04 -0.02 -0.08 -0.04 1.41 1.23 2wvaV1 VAL 240 H -0.07 0.79 0.32 -0.55 8.24 8.73 2wvaV1 VAL 240 HA -0.15 0.22 1.11 -0.75 4.13 4.55 2wvaV1 VAL 240 HB -0.17 -0.05 -0.10 -0.04 2.12 1.76 2wvaV1 VAL 240 HG13 -1.00 -0.02 -0.19 -0.04 0.97 -0.29 2wvaV1 VAL 240 HG23 -0.13 0.04 -0.20 -0.04 0.95 0.62 2wvaV1 ALA 241 H -0.12 0.77 0.37 -0.55 8.40 8.86 2wvaV1 ALA 241 HA -0.22 0.16 0.95 -0.75 4.34 4.48 2wvaV1 ALA 241 HB3 -0.13 -0.01 -0.06 -0.04 1.41 1.17 2wvaV1 THR 242 H 0.02 0.36 0.18 -0.55 8.28 8.30 2wvaV1 THR 242 HA -0.04 0.13 1.05 -0.75 4.39 4.77 2wvaV1 THR 242 HB -0.08 0.09 -0.17 -0.04 4.32 4.13 2wvaV1 THR 242 HG23 0.10 -0.01 -0.14 -0.04 1.22 1.13 2wvaV1 MET 243 H -0.13 0.68 0.27 -0.55 8.47 8.74 2wvaV1 MET 243 HA -0.20 0.32 0.73 -0.75 4.52 4.62 2wvaV1 MET 243 HB2 -0.24 -0.06 0.16 -0.04 2.15 1.96 2wvaV1 MET 243 HB3 -0.29 -0.08 0.17 -0.04 2.03 1.79 2wvaV1 MET 243 HG2 -0.06 0.09 0.01 -0.04 2.63 2.63 2wvaV1 MET 243 HG3 -0.10 0.14 -0.08 -0.04 2.56 2.47 2wvaV1 MET 243 HE3 -0.13 0.01 -0.02 -0.04 2.10 1.91 2wvaV1 ALA 244 H -0.76 0.22 0.17 -0.55 8.40 7.49 2wvaV1 ALA 244 HA -0.61 0.13 0.22 -0.75 4.34 3.33 2wvaV1 ALA 244 HB3 -2.09 -0.00 0.06 -0.04 1.41 -0.66 2wvaV1 ALA 245 H -0.65 0.06 -0.18 -0.55 8.40 7.09 2wvaV1 ALA 245 HA -0.62 0.09 0.39 -0.75 4.34 3.43 2wvaV1 ALA 245 HB3 -0.44 -0.01 0.08 -0.04 1.41 0.99 2wvaV1 ALA 246 H -0.39 0.46 -0.59 -0.55 8.40 7.33 2wvaV1 ALA 246 HA -1.03 0.23 0.67 -0.75 4.34 3.46 2wvaV1 ALA 246 HB3 -0.16 -0.04 -0.23 -0.04 1.41 0.94 2wvaV1 LYS 247 H -0.28 0.27 -0.28 -0.55 8.42 7.57 2wvaV1 LYS 247 HA -0.12 -0.06 0.40 -0.75 4.32 3.78 2wvaV1 LYS 247 HB2 -0.03 0.06 0.11 -0.04 1.87 1.98 2wvaV1 LYS 247 HB3 -0.08 -0.03 0.04 -0.04 1.79 1.69 2wvaV1 LYS 247 HG2 -0.09 -0.03 -0.14 -0.04 1.46 1.16 2wvaV1 LYS 247 HG3 -0.08 0.04 -0.22 -0.04 1.46 1.16 2wvaV1 LYS 247 HD2 -0.01 -0.09 0.03 -0.04 1.69 1.58 2wvaV1 LYS 247 HD3 0.03 -0.06 0.03 -0.04 1.68 1.64 2wvaV1 LYS 247 HE2 0.07 0.09 0.03 -0.04 2.99 3.13 2wvaV1 LYS 247 HE3 0.01 -0.05 -0.05 -0.04 2.99 2.86 2wvaV1 SER 248 H -0.08 0.09 0.23 -0.55 8.46 8.15 2wvaV1 SER 248 HA -0.03 0.05 0.38 -0.75 4.49 4.13 2wvaV1 SER 248 HB2 0.01 0.26 0.28 -0.04 3.95 4.45 2wvaV1 SER 248 HB3 -0.06 -0.09 -0.19 -0.04 3.93 3.55 2wvaV1 PHE 249 H 0.06 0.66 -0.13 -0.55 8.34 8.39 2wvaV1 PHE 249 HA -0.01 0.13 0.61 -0.75 4.62 4.59 2wvaV1 PHE 249 HB2 -0.01 0.12 0.09 -0.04 3.15 3.32 2wvaV1 PHE 249 HB3 0.01 -0.13 0.14 -0.04 3.06 3.03 2wvaV1 PHE 249 HD2 -0.04 0.03 -0.17 -0.04 7.28 7.06 2wvaV1 PHE 249 HE2 -0.04 0.13 0.05 -0.04 7.38 7.48 2wvaV1 PHE 249 HZ -0.03 0.04 0.10 -0.04 7.32 7.39 2wvaV1 PHE 250 H 0.11 0.10 -0.34 -0.55 8.34 7.66 2wvaV1 PHE 250 HA -0.02 0.17 0.50 -0.75 4.62 4.52 2wvaV1 PHE 250 HB2 0.01 0.01 -0.22 -0.04 3.15 2.92 2wvaV1 PHE 250 HB3 -0.14 -0.08 -0.13 -0.04 3.06 2.68 2wvaV1 PHE 250 HD2 -0.10 0.01 -0.17 -0.04 7.28 6.98 2wvaV1 PHE 250 HE2 0.09 0.01 -0.16 -0.04 7.38 7.28 2wvaV1 PHE 250 HZ 0.09 -0.02 -0.06 -0.04 7.32 7.29 2wvaV1 PRO 251 HA -0.21 0.08 0.43 -0.51 4.44 4.23 2wvaV1 PRO 251 HB2 -0.32 -0.09 0.12 -0.04 2.28 1.95 2wvaV1 PRO 251 HB3 -0.21 0.04 0.11 -0.04 2.02 1.92 2wvaV1 PRO 251 HG2 -0.51 0.04 0.10 -0.04 2.03 1.62 2wvaV1 PRO 251 HG3 -0.32 0.10 0.07 -0.04 2.03 1.84 2wvaV1 PRO 251 HD2 -2.48 0.09 0.14 -0.04 3.68 1.39 2wvaV1 PRO 251 HD3 -0.70 0.21 0.17 -0.04 3.65 3.28 2wvaV1 GLU 252 H -0.16 0.23 0.22 -0.55 8.60 8.34 2wvaV1 GLU 252 HA -0.48 0.13 0.49 -0.75 4.29 3.67 2wvaV1 GLU 252 HB2 -0.04 0.20 0.15 -0.04 2.09 2.35 2wvaV1 GLU 252 HB3 0.09 -0.01 0.16 -0.04 1.99 2.19 2wvaV1 GLU 252 HG2 -0.79 -0.02 -0.00 -0.04 2.34 1.48 2wvaV1 GLU 252 HG3 -0.22 0.07 0.14 -0.04 2.34 2.29 2wvaV1 GLU 253 H -0.06 -0.04 -0.19 -0.55 8.60 7.77 2wvaV1 GLU 253 HA 0.05 0.23 0.76 -0.75 4.29 4.57 2wvaV1 GLU 253 HB2 -0.03 -0.08 0.07 -0.04 2.09 2.01 2wvaV1 GLU 253 HB3 -0.00 0.02 0.09 -0.04 1.99 2.06 2wvaV1 GLU 253 HG2 0.02 0.05 0.02 -0.04 2.34 2.39 2wvaV1 GLU 253 HG3 0.01 0.06 -0.09 -0.04 2.34 2.28 2wvaV1 ASN 254 H -0.03 0.13 -0.36 -0.55 8.53 7.73 2wvaV1 ASN 254 HA -0.01 0.10 0.50 -0.75 4.76 4.59 2wvaV1 ASN 254 HB2 -0.16 -0.04 0.12 -0.04 2.88 2.77 2wvaV1 ASN 254 HB3 0.18 0.09 0.11 -0.04 2.79 3.13 2wvaV1 ASN 254 HD21 0.18 0.04 0.01 -0.04 7.03 7.22 2wvaV1 ASN 254 HD22 -0.07 -0.02 0.05 -0.04 7.74 7.66 2wvaV1 PRO 255 HA -0.03 0.12 0.31 -0.51 4.44 4.33 2wvaV1 PRO 255 HB2 -0.49 0.04 -0.04 -0.04 2.28 1.75 2wvaV1 PRO 255 HB3 -0.13 0.01 0.11 -0.04 2.02 1.97 2wvaV1 PRO 255 HG2 -0.15 0.03 0.08 -0.04 2.03 1.95 2wvaV1 PRO 255 HG3 -0.07 0.05 0.12 -0.04 2.03 2.08 2wvaV1 PRO 255 HD2 -0.09 0.07 0.19 -0.04 3.68 3.80 2wvaV1 PRO 255 HD3 -0.04 0.15 0.29 -0.04 3.65 4.01 2wvaV1 HIS 256 H 0.02 -0.02 -0.55 -0.55 8.41 7.32 2wvaV1 HIS 256 HA 0.05 0.19 0.64 -0.75 4.63 4.76 2wvaV1 HIS 256 HB2 0.17 -0.09 -0.07 -0.04 3.26 3.24 2wvaV1 HIS 256 HB3 0.03 0.36 0.15 -0.04 3.20 3.70 2wvaV1 HIS 256 HD2 0.02 0.09 -0.18 -0.04 6.97 6.86 2wvaV1 HIS 256 HE1 0.02 -0.01 0.03 -0.04 7.75 7.75 2wvaV1 TYR 257 H 0.29 0.44 -0.22 -0.55 8.29 8.25 2wvaV1 TYR 257 HA -0.00 0.16 0.61 -0.75 4.56 4.57 2wvaV1 TYR 257 HB2 0.34 -0.00 0.08 -0.04 3.06 3.45 2wvaV1 TYR 257 HB3 0.11 0.19 0.10 -0.04 2.98 3.34 2wvaV1 TYR 257 HD2 0.01 0.13 -0.05 -0.04 7.15 7.21 2wvaV1 TYR 257 HE2 -0.05 -0.05 -0.04 -0.04 6.85 6.66 2wvaV1 ILE 258 H -0.51 0.61 0.40 -0.55 8.25 8.20 2wvaV1 ILE 258 HA -0.44 0.25 0.88 -0.75 4.18 4.12 2wvaV1 ILE 258 HB -1.77 -0.03 0.04 -0.04 1.89 0.09 2wvaV1 ILE 258 HG12 -0.40 0.12 -0.25 -0.04 1.49 0.92 2wvaV1 ILE 258 HG13 -0.43 -0.02 -0.41 -0.04 1.21 0.30 2wvaV1 ILE 258 HG23 -0.62 0.04 -0.10 -0.04 0.93 0.21 2wvaV1 ILE 258 HD13 -0.30 -0.03 -0.18 -0.04 0.88 0.32 2wvaV1 GLY 259 H -1.65 0.11 0.13 -0.55 8.43 6.47 2wvaV1 GLY 259 HA2 -0.89 0.06 0.27 -0.51 4.01 2.94 2wvaV1 GLY 259 HA3 -0.51 0.20 0.86 -0.51 4.01 4.05 2wvaV1 THR 260 H -1.42 0.15 0.18 -0.55 8.28 6.65 2wvaV1 THR 260 HA -0.20 0.22 0.58 -0.75 4.39 4.23 2wvaV1 THR 260 HB -0.05 -0.08 0.13 -0.04 4.32 4.28 2wvaV1 THR 260 HG23 0.07 -0.02 -0.29 -0.04 1.22 0.94 2wvaV1 SER 261 H -0.07 0.69 0.19 -0.55 8.46 8.72 2wvaV1 SER 261 HA 0.08 0.08 0.83 -0.75 4.49 4.73 2wvaV1 SER 261 HB2 -0.01 0.06 -0.10 -0.04 3.95 3.86 2wvaV1 SER 261 HB3 -0.00 0.01 -0.05 -0.04 3.93 3.85 2wvaV1 TRP 262 H 0.25 0.21 -0.18 -0.55 7.97 7.70 2wvaV1 TRP 262 HA 0.03 0.21 0.66 -0.75 4.62 4.77 2wvaV1 TRP 262 HB2 -0.03 0.01 -0.41 -0.04 3.23 2.76 2wvaV1 TRP 262 HB3 0.06 0.03 -0.22 -0.04 3.23 3.06 2wvaV1 TRP 262 HD1 0.08 0.13 -0.08 -0.04 7.22 7.31 2wvaV1 TRP 262 HE1 0.14 0.29 0.10 -0.04 10.20 10.69 2wvaV1 TRP 262 HE3 -0.09 0.11 -0.08 -0.04 7.59 7.49 2wvaV1 TRP 262 HZ2 -0.87 -0.01 -0.06 -0.04 7.44 6.46 2wvaV1 TRP 262 HZ3 -0.60 0.02 -0.11 -0.04 7.13 6.40 2wvaV1 TRP 262 HH2 -1.46 -0.07 -0.10 -0.04 7.19 5.51 2wvaV1 GLY 263 H 0.22 0.19 -0.08 -0.55 8.43 8.22 2wvaV1 GLY 263 HA2 0.13 0.12 0.24 -0.51 4.01 4.00 2wvaV1 GLY 263 HA3 0.14 0.05 0.24 -0.51 4.01 3.93 2wvaV1 GLU 264 H 0.05 0.18 0.14 -0.55 8.60 8.42 2wvaV1 GLU 264 HA 0.06 0.10 0.43 -0.75 4.29 4.13 2wvaV1 GLU 264 HB2 0.02 0.02 0.14 -0.04 2.09 2.23 2wvaV1 GLU 264 HB3 0.03 0.03 0.09 -0.04 1.99 2.09 2wvaV1 GLU 264 HG2 -0.00 -0.03 0.01 -0.04 2.34 2.28 2wvaV1 GLU 264 HG3 -0.02 -0.02 -0.25 -0.04 2.34 2.01 2wvaV1 VAL 265 H 0.01 0.45 -0.33 -0.55 8.24 7.83 2wvaV1 VAL 265 HA 0.02 0.23 0.86 -0.75 4.13 4.48 2wvaV1 VAL 265 HB -0.05 -0.09 0.17 -0.04 2.12 2.11 2wvaV1 VAL 265 HG13 -0.10 0.00 -0.04 -0.04 0.97 0.78 2wvaV1 VAL 265 HG23 -0.52 -0.01 -0.02 -0.04 0.95 0.36 2wvaV1 SER 266 H 0.13 0.27 -0.37 -0.55 8.46 7.95 2wvaV1 SER 266 HA 0.26 0.02 0.39 -0.75 4.49 4.41 2wvaV1 SER 266 HB2 0.15 -0.06 -0.01 -0.04 3.95 3.98 2wvaV1 SER 266 HB3 0.15 0.18 0.16 -0.04 3.93 4.38 2wvaV1 TYR 267 H 0.33 0.38 0.22 -0.55 8.29 8.68 2wvaV1 TYR 267 HA 0.08 0.08 0.57 -0.75 4.56 4.53 2wvaV1 TYR 267 HB2 0.03 -0.01 0.15 -0.04 3.06 3.19 2wvaV1 TYR 267 HB3 0.07 0.21 0.07 -0.04 2.98 3.29 2wvaV1 TYR 267 HD2 0.06 0.07 0.04 -0.04 7.15 7.29 2wvaV1 TYR 267 HE2 0.10 0.06 -0.01 -0.04 6.85 6.96 2wvaV1 PRO 268 HA 0.09 -0.06 0.35 -0.51 4.44 4.31 2wvaV1 PRO 268 HB2 0.05 0.21 -0.15 -0.04 2.28 2.36 2wvaV1 PRO 268 HB3 0.02 0.08 0.04 -0.04 2.02 2.12 2wvaV1 PRO 268 HG2 -0.01 0.20 -0.35 -0.04 2.03 1.82 2wvaV1 PRO 268 HG3 -0.01 -0.04 0.06 -0.04 2.03 2.00 2wvaV1 PRO 268 HD2 0.03 0.11 0.09 -0.04 3.68 3.87 2wvaV1 PRO 268 HD3 -0.08 0.06 0.21 -0.04 3.65 3.80 2wvaV1 GLY 269 H 0.11 0.08 0.14 -0.55 8.43 8.21 2wvaV1 GLY 269 HA2 0.10 -0.02 0.36 -0.51 4.01 3.94 2wvaV1 GLY 269 HA3 0.13 0.24 0.47 -0.51 4.01 4.34 2wvaV1 VAL 270 H 0.23 0.58 -0.56 -0.55 8.24 7.94 2wvaV1 VAL 270 HA 0.16 0.09 0.19 -0.75 4.13 3.82 2wvaV1 VAL 270 HB 0.13 0.03 -0.00 -0.04 2.12 2.23 2wvaV1 VAL 270 HG13 -0.01 -0.02 -0.35 -0.04 0.97 0.55 2wvaV1 VAL 270 HG23 0.02 0.01 -0.30 -0.04 0.95 0.64 2wvaV1 GLU 271 H 0.14 0.19 -0.13 -0.55 8.60 8.24 2wvaV1 GLU 271 HA 0.10 0.04 0.30 -0.75 4.29 3.98 2wvaV1 GLU 271 HB2 0.11 0.08 0.05 -0.04 2.09 2.29 2wvaV1 GLU 271 HB3 0.10 -0.03 -0.01 -0.04 1.99 2.01 2wvaV1 GLU 271 HG2 0.08 0.02 -0.18 -0.04 2.34 2.22 2wvaV1 GLU 271 HG3 0.09 -0.06 -0.06 -0.04 2.34 2.27 2wvaV1 LYS 272 H 0.14 0.07 -0.32 -0.55 8.42 7.76 2wvaV1 LYS 272 HA 0.12 0.06 0.39 -0.75 4.32 4.14 2wvaV1 LYS 272 HB2 0.22 0.10 0.05 -0.04 1.87 2.20 2wvaV1 LYS 272 HB3 0.32 0.05 -0.07 -0.04 1.79 2.04 2wvaV1 LYS 272 HG2 0.11 0.01 -0.02 -0.04 1.46 1.53 2wvaV1 LYS 272 HG3 0.10 -0.09 -0.01 -0.04 1.46 1.42 2wvaV1 LYS 272 HD2 0.07 0.04 0.01 -0.04 1.69 1.76 2wvaV1 LYS 272 HD3 0.12 0.03 -0.02 -0.04 1.68 1.77 2wvaV1 LYS 272 HE2 0.06 -0.01 -0.02 -0.04 2.99 2.98 2wvaV1 LYS 272 HE3 0.05 -0.04 -0.00 -0.04 2.99 2.95 2wvaV1 THR 273 H 0.27 0.50 -0.16 -0.55 8.28 8.34 2wvaV1 THR 273 HA 0.19 0.02 0.32 -0.75 4.39 4.17 2wvaV1 THR 273 HB 0.16 0.04 0.03 -0.04 4.32 4.52 2wvaV1 THR 273 HG23 0.19 -0.01 -0.09 -0.04 1.22 1.27 2wvaV1 MET 274 H 0.08 0.53 -0.26 -0.55 8.47 8.27 2wvaV1 MET 274 HA 0.02 0.03 0.37 -0.75 4.52 4.18 2wvaV1 MET 274 HB2 0.06 0.09 0.03 -0.04 2.15 2.28 2wvaV1 MET 274 HB3 0.04 -0.05 -0.08 -0.04 2.03 1.90 2wvaV1 MET 274 HG2 0.04 0.21 -0.03 -0.04 2.63 2.81 2wvaV1 MET 274 HG3 0.05 -0.12 -0.12 -0.04 2.56 2.33 2wvaV1 MET 274 HE3 0.04 -0.01 -0.14 -0.04 2.10 1.95 2wvaV1 LYS 275 H 0.04 0.40 -0.20 -0.55 8.42 8.11 2wvaV1 LYS 275 HA 0.01 0.01 0.48 -0.75 4.32 4.06 2wvaV1 LYS 275 HB2 0.04 0.03 0.11 -0.04 1.87 2.01 2wvaV1 LYS 275 HB3 0.03 0.08 0.09 -0.04 1.79 1.95 2wvaV1 LYS 275 HG2 0.01 0.03 0.02 -0.04 1.46 1.48 2wvaV1 LYS 275 HG3 0.03 -0.05 0.02 -0.04 1.46 1.41 2wvaV1 LYS 275 HD2 0.05 -0.05 -0.04 -0.04 1.69 1.60 2wvaV1 LYS 275 HD3 0.03 0.02 -0.08 -0.04 1.68 1.62 2wvaV1 LYS 275 HE2 0.03 -0.03 -0.03 -0.04 2.99 2.92 2wvaV1 LYS 275 HE3 0.02 0.01 -0.02 -0.04 2.99 2.96 2wvaV1 GLU 276 H -0.11 0.39 -0.28 -0.55 8.60 8.05 2wvaV1 GLU 276 HA -0.15 0.05 0.44 -0.75 4.29 3.88 2wvaV1 GLU 276 HB2 -0.80 0.06 0.05 -0.04 2.09 1.36 2wvaV1 GLU 276 HB3 -0.74 -0.10 -0.02 -0.04 1.99 1.10 2wvaV1 GLU 276 HG2 -0.11 0.10 -0.04 -0.04 2.34 2.26 2wvaV1 GLU 276 HG3 -0.57 -0.07 -0.07 -0.04 2.34 1.60 2wvaV1 ALA 277 H -0.10 0.23 -0.31 -0.55 8.40 7.68 2wvaV1 ALA 277 HA -0.09 -0.13 0.35 -0.75 4.34 3.72 2wvaV1 ALA 277 HB3 -0.01 0.05 0.02 -0.04 1.41 1.43 2wvaV1 ASP 278 H -0.03 0.28 0.35 -0.55 8.40 8.45 2wvaV1 ASP 278 HA -0.03 0.14 0.69 -0.75 4.63 4.68 2wvaV1 ASP 278 HB2 -0.03 -0.04 -0.03 -0.04 2.71 2.57 2wvaV1 ASP 278 HB3 -0.06 0.05 0.13 -0.04 2.70 2.78 2wvaV1 ALA 279 H 0.03 0.35 0.14 -0.55 8.40 8.37 2wvaV1 ALA 279 HA 0.18 0.30 0.78 -0.75 4.34 4.84 2wvaV1 ALA 279 HB3 0.18 0.00 -0.07 -0.04 1.41 1.48 2wvaV1 VAL 280 H 0.13 0.76 0.22 -0.55 8.24 8.79 2wvaV1 VAL 280 HA 0.07 0.26 1.06 -0.75 4.13 4.76 2wvaV1 VAL 280 HB 0.07 -0.04 0.01 -0.04 2.12 2.11 2wvaV1 VAL 280 HG13 0.07 -0.03 -0.28 -0.04 0.97 0.69 2wvaV1 VAL 280 HG23 0.04 -0.00 -0.18 -0.04 0.95 0.77 2wvaV1 ILE 281 H 0.09 0.83 0.34 -0.55 8.25 8.96 2wvaV1 ILE 281 HA 0.07 0.17 1.06 -0.75 4.18 4.73 2wvaV1 ILE 281 HB 0.18 -0.04 0.18 -0.04 1.89 2.17 2wvaV1 ILE 281 HG12 0.14 0.01 -0.11 -0.04 1.49 1.48 2wvaV1 ILE 281 HG13 0.16 0.03 -0.12 -0.04 1.21 1.23 2wvaV1 ILE 281 HG23 0.05 -0.01 -0.12 -0.04 0.93 0.81 2wvaV1 ILE 281 HD13 0.28 0.01 -0.08 -0.04 0.88 1.05 2wvaV1 ALA 282 H 0.06 0.68 0.33 -0.55 8.40 8.91 2wvaV1 ALA 282 HA 0.05 0.17 0.82 -0.75 4.34 4.63 2wvaV1 ALA 282 HB3 0.14 -0.02 0.05 -0.04 1.41 1.54 2wvaV1 LEU 283 H 0.01 0.67 0.31 -0.55 8.37 8.81 2wvaV1 LEU 283 HA -0.00 0.22 0.85 -0.75 4.35 4.67 2wvaV1 LEU 283 HB2 0.03 -0.13 0.25 -0.04 1.64 1.75 2wvaV1 LEU 283 HB3 0.03 0.02 0.05 -0.04 1.64 1.70 2wvaV1 LEU 283 HG 0.05 0.07 -0.06 -0.04 1.64 1.66 2wvaV1 LEU 283 HD13 0.10 -0.00 -0.04 -0.04 0.93 0.95 2wvaV1 LEU 283 HD23 0.01 0.01 -0.22 -0.04 0.89 0.65 2wvaV1 ALA 284 H -0.04 0.82 0.27 -0.55 8.40 8.90 2wvaV1 ALA 284 HA -0.06 0.05 0.35 -0.75 4.34 3.92 2wvaV1 ALA 284 HB3 -0.03 0.01 -0.18 -0.04 1.41 1.16 2wvaV1 PRO 285 HA -0.27 -0.11 0.57 -0.51 4.44 4.13 2wvaV1 PRO 285 HB2 -1.35 0.01 -0.19 -0.04 2.28 0.71 2wvaV1 PRO 285 HB3 -0.34 0.07 -0.15 -0.04 2.02 1.56 2wvaV1 PRO 285 HG2 -0.26 0.02 -0.09 -0.04 2.03 1.65 2wvaV1 PRO 285 HG3 -0.01 0.07 -0.11 -0.04 2.03 1.94 2wvaV1 PRO 285 HD2 -0.07 0.09 0.00 -0.04 3.68 3.66 2wvaV1 PRO 285 HD3 -0.06 0.17 -0.38 -0.04 3.65 3.34 2wvaV1 VAL 286 H -0.34 0.08 0.14 -0.55 8.24 7.56 2wvaV1 VAL 286 HA -0.17 0.25 0.75 -0.75 4.13 4.21 2wvaV1 VAL 286 HB -0.16 -0.12 0.16 -0.04 2.12 1.96 2wvaV1 VAL 286 HG13 -0.04 -0.01 -0.18 -0.04 0.97 0.71 2wvaV1 VAL 286 HG23 -0.08 0.04 -0.12 -0.04 0.95 0.74 2wvaV1 PHE 287 H 0.01 0.28 -0.05 -0.55 8.34 8.02 2wvaV1 PHE 287 HA 0.03 0.09 0.75 -0.75 4.62 4.73 2wvaV1 PHE 287 HB2 0.12 0.03 0.13 -0.04 3.15 3.40 2wvaV1 PHE 287 HB3 0.16 0.05 -0.01 -0.04 3.06 3.23 2wvaV1 PHE 287 HD2 0.05 0.03 -0.07 -0.04 7.28 7.25 2wvaV1 PHE 287 HE2 0.02 0.03 -0.10 -0.04 7.38 7.29 2wvaV1 PHE 287 HZ 0.01 0.02 -0.10 -0.04 7.32 7.21 2wvaV1 ASN 288 H 0.04 0.06 0.08 -0.55 8.53 8.17 2wvaV1 ASN 288 HA 0.14 0.35 0.83 -0.75 4.76 5.32 2wvaV1 ASN 288 HB2 -0.01 -0.01 0.18 -0.04 2.88 3.00 2wvaV1 ASN 288 HB3 0.04 0.14 -0.12 -0.04 2.79 2.81 2wvaV1 ASN 288 HD21 -0.05 0.04 -0.02 -0.04 7.03 6.97 2wvaV1 ASN 288 HD22 -0.02 0.13 -0.02 -0.04 7.74 7.79 2wvaV1 ASP 289 H -0.25 0.27 0.14 -0.55 8.40 8.01 2wvaV1 ASP 289 HA -1.96 0.11 0.31 -0.75 4.63 2.33 2wvaV1 ASP 289 HB2 -0.41 0.04 0.04 -0.04 2.71 2.34 2wvaV1 ASP 289 HB3 -0.24 0.11 0.06 -0.04 2.70 2.60 2wvaV1 TYR 290 H 0.06 0.11 -0.16 -0.55 8.29 7.75 2wvaV1 TYR 290 HA 0.31 0.14 0.66 -0.75 4.56 4.92 2wvaV1 TYR 290 HB2 0.14 0.03 0.11 -0.04 3.06 3.30 2wvaV1 TYR 290 HB3 0.41 0.02 -0.02 -0.04 2.98 3.34 2wvaV1 TYR 290 HD2 0.31 -0.02 -0.15 -0.04 7.15 7.26 2wvaV1 TYR 290 HE2 0.24 0.01 -0.04 -0.04 6.85 7.02 2wvaV1 SER 291 H 0.10 0.07 -0.12 -0.55 8.46 7.96 2wvaV1 SER 291 HA 0.13 0.09 0.39 -0.75 4.49 4.35 2wvaV1 SER 291 HB2 -0.14 0.01 0.20 -0.04 3.95 3.98 2wvaV1 SER 291 HB3 -0.11 -0.02 0.14 -0.04 3.93 3.90 2wvaV1 THR 292 H 0.02 0.24 -0.40 -0.55 8.28 7.59 2wvaV1 THR 292 HA 0.20 0.35 0.84 -0.75 4.39 5.03 2wvaV1 THR 292 HB 0.16 -0.06 -0.12 -0.04 4.32 4.26 2wvaV1 THR 292 HG23 0.24 0.03 -0.09 -0.04 1.22 1.35 2wvaV1 THR 293 H 0.35 0.34 -0.54 -0.55 8.28 7.88 2wvaV1 THR 293 HA 0.13 0.11 0.32 -0.75 4.39 4.19 2wvaV1 THR 293 HB 0.08 0.05 0.08 -0.04 4.32 4.49 2wvaV1 THR 293 HG23 -0.01 -0.02 0.04 -0.04 1.22 1.19 2wvaV1 GLY 294 H -0.19 0.64 0.11 -0.55 8.43 8.44 2wvaV1 GLY 294 HA2 -0.31 0.02 0.29 -0.51 4.01 3.50 2wvaV1 GLY 294 HA3 -0.15 0.12 0.24 -0.51 4.01 3.70 2wvaV1 TRP 295 H -0.31 -0.01 -0.40 -0.55 7.97 6.70 2wvaV1 TRP 295 HA 0.06 -0.04 0.11 -0.75 4.62 3.99 2wvaV1 TRP 295 HB2 0.02 0.24 0.08 -0.04 3.23 3.52 2wvaV1 TRP 295 HB3 0.02 -0.01 0.10 -0.04 3.23 3.30 2wvaV1 TRP 295 HD1 0.01 0.12 -0.18 -0.04 7.22 7.14 2wvaV1 TRP 295 HE1 0.02 0.04 -0.07 -0.04 10.20 10.15 2wvaV1 TRP 295 HE3 0.05 0.04 -0.13 -0.04 7.59 7.50 2wvaV1 TRP 295 HZ2 0.04 0.00 -0.05 -0.04 7.44 7.39 2wvaV1 TRP 295 HZ3 0.08 0.06 -0.24 -0.04 7.13 7.00 2wvaV1 TRP 295 HH2 0.07 0.05 -0.09 -0.04 7.19 7.17 2wvaV1 THR 296 H 0.09 0.33 -0.53 -0.55 8.28 7.62 2wvaV1 THR 296 HA 0.11 0.17 0.74 -0.75 4.39 4.65 2wvaV1 THR 296 HB 0.05 -0.09 0.08 -0.04 4.32 4.31 2wvaV1 THR 296 HG23 0.04 0.02 -0.02 -0.04 1.22 1.21 2wvaV1 ASP 297 H 0.13 0.49 -0.10 -0.55 8.40 8.38 2wvaV1 ASP 297 HA 0.09 0.21 0.81 -0.75 4.63 4.99 2wvaV1 ASP 297 HB2 0.12 -0.08 -0.11 -0.04 2.71 2.60 2wvaV1 ASP 297 HB3 0.16 -0.02 0.01 -0.04 2.70 2.81 2wvaV1 ILE 298 H 0.07 0.30 -0.12 -0.55 8.25 7.94 2wvaV1 ILE 298 HA -0.02 0.16 0.84 -0.75 4.18 4.40 2wvaV1 ILE 298 HB 0.04 0.02 -0.03 -0.04 1.89 1.88 2wvaV1 ILE 298 HG12 0.27 -0.02 -0.19 -0.04 1.49 1.51 2wvaV1 ILE 298 HG13 0.22 -0.11 -0.49 -0.04 1.21 0.79 2wvaV1 ILE 298 HG23 -0.07 0.04 -0.16 -0.04 0.93 0.70 2wvaV1 ILE 298 HD13 0.21 0.00 -0.08 -0.04 0.88 0.97 2wvaV1 PRO 299 HA -0.03 0.04 0.25 -0.51 4.44 4.19 2wvaV1 PRO 299 HB2 -0.18 0.02 -0.14 -0.04 2.28 1.94 2wvaV1 PRO 299 HB3 -0.04 0.05 -0.05 -0.04 2.02 1.94 2wvaV1 PRO 299 HG2 -0.86 0.01 -0.03 -0.04 2.03 1.10 2wvaV1 PRO 299 HG3 -0.09 0.03 -0.05 -0.04 2.03 1.89 2wvaV1 PRO 299 HD2 -0.65 0.08 0.09 -0.04 3.68 3.16 2wvaV1 PRO 299 HD3 -0.35 0.18 0.17 -0.04 3.65 3.61 2wvaV1 ASP 300 H -0.01 0.15 0.10 -0.55 8.40 8.09 2wvaV1 ASP 300 HA -0.01 0.13 0.49 -0.75 4.63 4.48 2wvaV1 ASP 300 HB2 0.01 0.10 0.14 -0.04 2.71 2.91 2wvaV1 ASP 300 HB3 0.02 -0.00 0.13 -0.04 2.70 2.81 2wvaV1 PRO 301 HA -0.02 0.08 0.34 -0.51 4.44 4.32 2wvaV1 PRO 301 HB2 -0.00 0.01 0.01 -0.04 2.28 2.26 2wvaV1 PRO 301 HB3 -0.02 0.02 0.09 -0.04 2.02 2.07 2wvaV1 PRO 301 HG2 -0.02 0.01 0.08 -0.04 2.03 2.06 2wvaV1 PRO 301 HG3 -0.04 0.09 0.10 -0.04 2.03 2.14 2wvaV1 PRO 301 HD2 -0.01 0.03 0.20 -0.04 3.68 3.87 2wvaV1 PRO 301 HD3 -0.02 0.27 0.28 -0.04 3.65 4.14 2wvaV1 LYS 302 H 0.03 0.09 -0.25 -0.55 8.42 7.73 2wvaV1 LYS 302 HA 0.08 0.09 0.44 -0.75 4.32 4.17 2wvaV1 LYS 302 HB2 0.04 0.02 -0.01 -0.04 1.87 1.89 2wvaV1 LYS 302 HB3 0.06 0.05 0.09 -0.04 1.79 1.96 2wvaV1 LYS 302 HG2 0.02 0.02 0.02 -0.04 1.46 1.48 2wvaV1 LYS 302 HG3 0.03 0.01 0.00 -0.04 1.46 1.46 2wvaV1 LYS 302 HD2 0.01 -0.07 0.00 -0.04 1.69 1.59 2wvaV1 LYS 302 HD3 0.02 0.00 0.03 -0.04 1.68 1.69 2wvaV1 LYS 302 HE2 0.01 0.02 0.01 -0.04 2.99 2.99 2wvaV1 LYS 302 HE3 0.01 0.00 0.00 -0.04 2.99 2.96 2wvaV1 LYS 303 H 0.07 0.36 -0.38 -0.55 8.42 7.91 2wvaV1 LYS 303 HA 0.26 0.30 0.90 -0.75 4.32 5.03 2wvaV1 LYS 303 HB2 0.06 -0.00 -0.01 -0.04 1.87 1.87 2wvaV1 LYS 303 HB3 0.09 -0.12 -0.10 -0.04 1.79 1.63 2wvaV1 LYS 303 HG2 0.05 0.23 -0.04 -0.04 1.46 1.65 2wvaV1 LYS 303 HG3 0.05 -0.21 -0.15 -0.04 1.46 1.11 2wvaV1 LYS 303 HD2 0.02 -0.15 -0.04 -0.04 1.69 1.48 2wvaV1 LYS 303 HD3 0.02 0.24 -0.17 -0.04 1.68 1.72 2wvaV1 LYS 303 HE2 -0.00 -0.04 0.03 -0.04 2.99 2.93 2wvaV1 LYS 303 HE3 0.01 -0.17 -0.01 -0.04 2.99 2.77 2wvaV1 LEU 304 H 0.05 0.25 -0.23 -0.55 8.37 7.90 2wvaV1 LEU 304 HA 0.04 0.17 0.49 -0.75 4.35 4.30 2wvaV1 LEU 304 HB2 -0.00 0.04 -0.12 -0.04 1.64 1.52 2wvaV1 LEU 304 HB3 -0.02 0.04 0.09 -0.04 1.64 1.72 2wvaV1 LEU 304 HG 0.01 -0.03 -0.45 -0.04 1.64 1.13 2wvaV1 LEU 304 HD13 0.09 0.02 -0.08 -0.04 0.93 0.91 2wvaV1 LEU 304 HD23 -0.00 -0.02 -0.12 -0.04 0.89 0.71 2wvaV1 VAL 305 H 0.01 0.77 0.45 -0.55 8.24 8.92 2wvaV1 VAL 305 HA -0.18 0.16 1.02 -0.75 4.13 4.37 2wvaV1 VAL 305 HB 0.02 -0.07 0.26 -0.04 2.12 2.29 2wvaV1 VAL 305 HG13 -0.00 -0.02 -0.12 -0.04 0.97 0.79 2wvaV1 VAL 305 HG23 -0.16 0.01 -0.04 -0.04 0.95 0.71 2wvaV1 LEU 306 H -0.07 0.76 0.27 -0.55 8.37 8.79 2wvaV1 LEU 306 HA 0.02 0.14 0.89 -0.75 4.35 4.64 2wvaV1 LEU 306 HB2 0.01 0.04 0.02 -0.04 1.64 1.67 2wvaV1 LEU 306 HB3 -0.02 -0.10 0.29 -0.04 1.64 1.77 2wvaV1 LEU 306 HG 0.01 -0.05 -0.14 -0.04 1.64 1.42 2wvaV1 LEU 306 HD13 0.14 0.02 -0.03 -0.04 0.93 1.03 2wvaV1 LEU 306 HD23 0.05 -0.00 -0.02 -0.04 0.89 0.87 2wvaV1 ALA 307 H -0.03 0.70 0.31 -0.55 8.40 8.83 2wvaV1 ALA 307 HA -0.22 0.16 1.05 -0.75 4.34 4.58 2wvaV1 ALA 307 HB3 -0.12 0.01 0.06 -0.04 1.41 1.31 2wvaV1 GLU 308 H -0.09 0.42 0.28 -0.55 8.60 8.66 2wvaV1 GLU 308 HA -0.05 0.05 0.67 -0.75 4.29 4.20 2wvaV1 GLU 308 HB2 -0.05 -0.05 0.12 -0.04 2.09 2.08 2wvaV1 GLU 308 HB3 -0.04 0.03 0.16 -0.04 1.99 2.10 2wvaV1 GLU 308 HG2 -0.03 -0.02 -0.12 -0.04 2.34 2.13 2wvaV1 GLU 308 HG3 -0.02 -0.01 -0.03 -0.04 2.34 2.24 2wvaV1 PRO 309 HA -0.05 -0.00 0.48 -0.51 4.44 4.35 2wvaV1 PRO 309 HB2 -0.09 0.06 0.05 -0.04 2.28 2.26 2wvaV1 PRO 309 HB3 -0.08 0.11 0.11 -0.04 2.02 2.12 2wvaV1 PRO 309 HG2 -0.07 0.13 0.09 -0.04 2.03 2.14 2wvaV1 PRO 309 HG3 -0.06 0.10 0.10 -0.04 2.03 2.13 2wvaV1 PRO 309 HD2 -0.05 0.09 0.22 -0.04 3.68 3.90 2wvaV1 PRO 309 HD3 -0.05 0.05 0.24 -0.04 3.65 3.85 2wvaV1 ARG 310 H -0.06 0.02 -0.24 -0.55 8.46 7.63 2wvaV1 ARG 310 HA -0.05 0.19 0.87 -0.75 4.34 4.60 2wvaV1 ARG 310 HB2 -0.07 0.00 0.01 -0.04 1.90 1.80 2wvaV1 ARG 310 HB3 -0.04 -0.12 0.13 -0.04 1.80 1.72 2wvaV1 ARG 310 HG2 -0.49 0.00 -0.05 -0.04 1.67 1.09 2wvaV1 ARG 310 HG3 -0.20 -0.01 -0.41 -0.04 1.67 1.02 2wvaV1 ARG 310 HD2 -0.17 0.20 -0.03 -0.04 3.22 3.18 2wvaV1 ARG 310 HD3 -0.10 -0.05 -0.03 -0.04 3.22 3.00 2wvaV1 SER 311 H -0.05 0.25 -0.01 -0.55 8.46 8.11 2wvaV1 SER 311 HA 0.01 0.19 0.69 -0.75 4.49 4.62 2wvaV1 SER 311 HB2 0.00 0.01 -0.12 -0.04 3.95 3.81 2wvaV1 SER 311 HB3 -0.00 -0.02 -0.20 -0.04 3.93 3.67 2wvaV1 VAL 312 H 0.02 0.48 0.27 -0.55 8.24 8.46 2wvaV1 VAL 312 HA -0.16 0.31 1.09 -0.75 4.13 4.62 2wvaV1 VAL 312 HB -0.13 -0.05 0.08 -0.04 2.12 1.99 2wvaV1 VAL 312 HG13 -0.31 -0.00 -0.27 -0.04 0.97 0.35 2wvaV1 VAL 312 HG23 -0.75 -0.00 -0.22 -0.04 0.95 -0.06 2wvaV1 VAL 313 H -0.06 0.70 0.33 -0.55 8.24 8.66 2wvaV1 VAL 313 HA -0.01 0.37 1.16 -0.75 4.13 4.90 2wvaV1 VAL 313 HB -0.04 -0.04 0.21 -0.04 2.12 2.21 2wvaV1 VAL 313 HG13 -0.05 -0.01 -0.19 -0.04 0.97 0.68 2wvaV1 VAL 313 HG23 -0.03 -0.02 -0.08 -0.04 0.95 0.79 2wvaV1 VAL 314 H 0.04 0.67 0.23 -0.55 8.24 8.63 2wvaV1 VAL 314 HA -0.20 0.16 0.91 -0.75 4.13 4.25 2wvaV1 VAL 314 HB -0.04 0.00 -0.24 -0.04 2.12 1.79 2wvaV1 VAL 314 HG13 0.18 0.04 -0.09 -0.04 0.97 1.06 2wvaV1 VAL 314 HG23 -0.11 0.02 -0.16 -0.04 0.95 0.67 2wvaV1 ASN 315 H -0.43 0.28 0.14 -0.55 8.53 7.97 2wvaV1 ASN 315 HA 0.06 0.10 0.33 -0.75 4.76 4.50 2wvaV1 ASN 315 HB2 0.10 0.01 -0.35 -0.04 2.88 2.60 2wvaV1 ASN 315 HB3 0.11 0.07 0.09 -0.04 2.79 3.02 2wvaV1 ASN 315 HD21 0.15 -0.02 -0.03 -0.04 7.03 7.09 2wvaV1 ASN 315 HD22 0.15 -0.01 0.02 -0.04 7.74 7.86 2wvaV1 GLY 316 H -0.06 0.06 -0.30 -0.55 8.43 7.58 2wvaV1 GLY 316 HA2 -0.03 -0.02 0.21 -0.51 4.01 3.66 2wvaV1 GLY 316 HA3 -0.00 0.08 0.38 -0.51 4.01 3.97 2wvaV1 ILE 317 H -0.04 0.31 -0.34 -0.55 8.25 7.62 2wvaV1 ILE 317 HA -0.17 0.14 0.88 -0.75 4.18 4.27 2wvaV1 ILE 317 HB -0.11 0.08 0.02 -0.04 1.89 1.85 2wvaV1 ILE 317 HG12 -0.09 -0.01 -0.07 -0.04 1.49 1.28 2wvaV1 ILE 317 HG13 -0.02 0.10 -0.54 -0.04 1.21 0.70 2wvaV1 ILE 317 HG23 -0.75 -0.01 -0.12 -0.04 0.93 0.00 2wvaV1 ILE 317 HD13 0.07 -0.02 -0.04 -0.04 0.88 0.85 2wvaV1 ARG 318 H -0.26 0.17 0.14 -0.55 8.46 7.96 2wvaV1 ARG 318 HA -0.13 0.22 1.11 -0.75 4.34 4.79 2wvaV1 ARG 318 HB2 -0.09 -0.01 0.01 -0.04 1.90 1.76 2wvaV1 ARG 318 HB3 -0.13 -0.01 0.13 -0.04 1.80 1.75 2wvaV1 ARG 318 HG2 -0.06 -0.01 -0.29 -0.04 1.67 1.26 2wvaV1 ARG 318 HG3 -0.05 0.01 -0.11 -0.04 1.67 1.48 2wvaV1 ARG 318 HD2 -0.04 0.00 -0.06 -0.04 3.22 3.08 2wvaV1 ARG 318 HD3 -0.04 -0.01 -0.06 -0.04 3.22 3.07 2wvaV1 PHE 319 H 0.06 0.73 0.29 -0.55 8.34 8.87 2wvaV1 PHE 319 HA -0.02 0.20 0.99 -0.75 4.62 5.03 2wvaV1 PHE 319 HB2 -0.07 -0.03 0.27 -0.04 3.15 3.28 2wvaV1 PHE 319 HB3 -0.03 0.01 0.04 -0.04 3.06 3.03 2wvaV1 PHE 319 HD2 -0.03 0.04 -0.03 -0.04 7.28 7.22 2wvaV1 PHE 319 HE2 -0.01 0.02 -0.09 -0.04 7.38 7.26 2wvaV1 PHE 319 HZ 0.01 0.02 -0.15 -0.04 7.32 7.15 2wvaV1 PRO 320 HA 0.03 0.10 0.67 -0.51 4.44 4.73 2wvaV1 PRO 320 HB2 0.03 0.03 0.04 -0.04 2.28 2.33 2wvaV1 PRO 320 HB3 0.01 0.02 0.09 -0.04 2.02 2.10 2wvaV1 PRO 320 HG2 0.03 0.00 0.04 -0.04 2.03 2.05 2wvaV1 PRO 320 HG3 -0.00 0.04 0.04 -0.04 2.03 2.06 2wvaV1 PRO 320 HD2 -0.02 0.22 0.23 -0.04 3.68 4.06 2wvaV1 PRO 320 HD3 -0.03 0.09 -0.16 -0.04 3.65 3.50 2wvaV1 SER 321 H 0.06 0.27 0.25 -0.55 8.46 8.49 2wvaV1 SER 321 HA 0.12 0.08 0.35 -0.75 4.49 4.29 2wvaV1 SER 321 HB2 0.05 0.18 -0.00 -0.04 3.95 4.14 2wvaV1 SER 321 HB3 0.03 -0.11 0.27 -0.04 3.93 4.09 2wvaV1 VAL 322 H 0.08 0.41 -0.31 -0.55 8.24 7.87 2wvaV1 VAL 322 HA 0.03 0.03 0.84 -0.75 4.13 4.28 2wvaV1 VAL 322 HB -0.01 0.02 -0.08 -0.04 2.12 2.01 2wvaV1 VAL 322 HG13 0.00 -0.01 -0.25 -0.04 0.97 0.68 2wvaV1 VAL 322 HG23 0.02 0.05 -0.40 -0.04 0.95 0.58 2wvaV1 HIS 323 H 0.09 0.05 0.03 -0.55 8.41 8.03 2wvaV1 HIS 323 HA -0.02 0.38 0.67 -0.75 4.63 4.91 2wvaV1 HIS 323 HB2 0.00 -0.18 0.17 -0.04 3.26 3.22 2wvaV1 HIS 323 HB3 -0.00 0.11 0.13 -0.04 3.20 3.39 2wvaV1 HIS 323 HD2 -0.00 0.03 0.04 -0.04 6.97 7.00 2wvaV1 HIS 323 HE1 -0.00 -0.04 -0.18 -0.04 7.75 7.48 2wvaV1 LEU 324 H 0.02 0.76 0.32 -0.55 8.37 8.93 2wvaV1 LEU 324 HA 0.06 0.03 0.20 -0.75 4.35 3.90 2wvaV1 LEU 324 HB2 -0.02 0.18 0.03 -0.04 1.64 1.79 2wvaV1 LEU 324 HB3 0.00 0.03 0.10 -0.04 1.64 1.73 2wvaV1 LEU 324 HG 0.04 -0.06 -0.21 -0.04 1.64 1.37 2wvaV1 LEU 324 HD13 0.06 -0.01 -0.06 -0.04 0.93 0.88 2wvaV1 LEU 324 HD23 -0.01 -0.00 -0.14 -0.04 0.89 0.70 2wvaV1 LYS 325 H 0.06 0.24 -0.18 -0.55 8.42 7.98 2wvaV1 LYS 325 HA 0.03 0.02 0.43 -0.75 4.32 4.05 2wvaV1 LYS 325 HB2 0.02 0.23 0.03 -0.04 1.87 2.11 2wvaV1 LYS 325 HB3 0.05 -0.04 0.08 -0.04 1.79 1.85 2wvaV1 LYS 325 HG2 0.02 -0.06 -0.22 -0.04 1.46 1.15 2wvaV1 LYS 325 HG3 0.01 -0.09 0.08 -0.04 1.46 1.42 2wvaV1 LYS 325 HD2 0.01 0.25 0.09 -0.04 1.69 1.99 2wvaV1 LYS 325 HD3 0.02 -0.02 0.02 -0.04 1.68 1.66 2wvaV1 LYS 325 HE2 0.00 -0.06 -0.00 -0.04 2.99 2.89 2wvaV1 LYS 325 HE3 -0.00 -0.07 0.05 -0.04 2.99 2.92 2wvaV1 ASP 326 H 0.08 0.21 -0.17 -0.55 8.40 7.98 2wvaV1 ASP 326 HA 0.01 0.07 0.46 -0.75 4.63 4.41 2wvaV1 ASP 326 HB2 0.03 0.07 0.12 -0.04 2.71 2.90 2wvaV1 ASP 326 HB3 -0.01 -0.02 0.03 -0.04 2.70 2.66 2wvaV1 TYR 327 H 0.14 0.57 -0.15 -0.55 8.29 8.30 2wvaV1 TYR 327 HA -0.07 0.01 0.36 -0.75 4.56 4.10 2wvaV1 TYR 327 HB2 -0.06 -0.03 -0.14 -0.04 3.06 2.79 2wvaV1 TYR 327 HB3 -0.06 0.11 -0.01 -0.04 2.98 2.97 2wvaV1 TYR 327 HD2 -0.14 0.01 -0.14 -0.04 7.15 6.84 2wvaV1 TYR 327 HE2 -0.18 0.04 -0.25 -0.04 6.85 6.43 2wvaV1 LEU 328 H 0.03 0.67 -0.15 -0.55 8.37 8.37 2wvaV1 LEU 328 HA -0.43 0.03 0.36 -0.75 4.35 3.56 2wvaV1 LEU 328 HB2 0.00 0.04 0.05 -0.04 1.64 1.69 2wvaV1 LEU 328 HB3 0.00 0.08 -0.19 -0.04 1.64 1.49 2wvaV1 LEU 328 HG 0.05 0.08 -0.00 -0.04 1.64 1.73 2wvaV1 LEU 328 HD13 0.05 -0.03 -0.13 -0.04 0.93 0.77 2wvaV1 LEU 328 HD23 -0.32 -0.01 -0.06 -0.04 0.89 0.46 2wvaV1 THR 329 H -0.03 0.47 -0.19 -0.55 8.28 7.98 2wvaV1 THR 329 HA 0.00 0.05 0.51 -0.75 4.39 4.20 2wvaV1 THR 329 HB -0.01 0.05 0.20 -0.04 4.32 4.52 2wvaV1 THR 329 HG23 -0.01 -0.01 -0.14 -0.04 1.22 1.02 2wvaV1 ARG 330 H -0.06 0.70 -0.05 -0.55 8.46 8.50 2wvaV1 ARG 330 HA -0.04 0.01 0.44 -0.75 4.34 4.00 2wvaV1 ARG 330 HB2 -0.04 -0.03 0.09 -0.04 1.90 1.88 2wvaV1 ARG 330 HB3 -0.09 0.09 0.12 -0.04 1.80 1.88 2wvaV1 ARG 330 HG2 -0.05 -0.04 -0.11 -0.04 1.67 1.44 2wvaV1 ARG 330 HG3 -0.06 0.00 -0.14 -0.04 1.67 1.44 2wvaV1 ARG 330 HD2 -0.03 -0.03 -0.04 -0.04 3.22 3.08 2wvaV1 ARG 330 HD3 -0.03 0.02 0.02 -0.04 3.22 3.19 2wvaV1 LEU 331 H -0.22 0.55 -0.25 -0.55 8.37 7.90 2wvaV1 LEU 331 HA -0.12 -0.02 0.38 -0.75 4.35 3.83 2wvaV1 LEU 331 HB2 -0.67 0.25 0.15 -0.04 1.64 1.32 2wvaV1 LEU 331 HB3 -0.36 0.07 0.06 -0.04 1.64 1.37 2wvaV1 LEU 331 HG 0.04 -0.00 -0.08 -0.04 1.64 1.56 2wvaV1 LEU 331 HD13 -0.16 -0.03 0.01 -0.04 0.93 0.72 2wvaV1 LEU 331 HD23 -0.87 -0.01 -0.09 -0.04 0.89 -0.13 2wvaV1 ALA 332 H 0.02 0.50 -0.26 -0.55 8.40 8.12 2wvaV1 ALA 332 HA 0.14 0.03 0.43 -0.75 4.34 4.19 2wvaV1 ALA 332 HB3 0.09 0.02 -0.04 -0.04 1.41 1.43 2wvaV1 GLN 333 H 0.00 0.31 -0.55 -0.55 8.47 7.69 2wvaV1 GLN 333 HA 0.00 0.07 0.56 -0.75 4.36 4.24 2wvaV1 GLN 333 HB2 -0.01 0.17 0.13 -0.04 2.15 2.39 2wvaV1 GLN 333 HB3 -0.01 -0.09 0.05 -0.04 2.02 1.93 2wvaV1 GLN 333 HG2 -0.00 -0.06 -0.00 -0.04 2.40 2.30 2wvaV1 GLN 333 HG3 -0.00 0.19 0.02 -0.04 2.39 2.55 2wvaV1 GLN 333 HE21 -0.01 -0.08 -0.05 -0.04 6.97 6.79 2wvaV1 GLN 333 HE22 -0.01 0.00 -0.05 -0.04 7.69 7.59 2wvaV1 LYS 334 H 0.00 0.27 -0.17 -0.55 8.42 7.98 2wvaV1 LYS 334 HA 0.00 0.17 0.87 -0.75 4.32 4.62 2wvaV1 LYS 334 HB2 -0.01 0.02 -0.01 -0.04 1.87 1.83 2wvaV1 LYS 334 HB3 -0.00 -0.07 0.02 -0.04 1.79 1.69 2wvaV1 LYS 334 HG2 -0.01 0.04 -0.27 -0.04 1.46 1.18 2wvaV1 LYS 334 HG3 -0.02 0.15 -0.07 -0.04 1.46 1.48 2wvaV1 LYS 334 HD2 -0.02 -0.03 -0.08 -0.04 1.69 1.52 2wvaV1 LYS 334 HD3 -0.01 -0.03 -0.05 -0.04 1.68 1.56 2wvaV1 LYS 334 HE2 -0.02 0.00 -0.05 -0.04 2.99 2.88 2wvaV1 LYS 334 HE3 -0.02 -0.07 -0.04 -0.04 2.99 2.83 2wvaV1 VAL 335 H 0.03 0.33 0.05 -0.55 8.24 8.11 2wvaV1 VAL 335 HA 0.03 -0.03 0.38 -0.75 4.13 3.76 2wvaV1 VAL 335 HB 0.13 0.03 0.08 -0.04 2.12 2.33 2wvaV1 VAL 335 HG13 -0.03 0.02 -0.25 -0.04 0.97 0.67 2wvaV1 VAL 335 HG23 0.08 0.03 0.01 -0.04 0.95 1.03 2wvaV1 SER 336 H 0.01 0.06 0.14 -0.55 8.46 8.14 2wvaV1 SER 336 HA -0.01 0.21 0.87 -0.75 4.49 4.81 2wvaV1 SER 336 HB2 -0.00 -0.09 0.15 -0.04 3.95 3.98 2wvaV1 SER 336 HB3 0.00 0.01 0.05 -0.04 3.93 3.95 2wvaV1 LYS 337 H -0.01 0.02 0.15 -0.55 8.42 8.03 2wvaV1 LYS 337 HA -0.04 0.35 0.50 -0.75 4.32 4.37 2wvaV1 LYS 337 HB2 -0.00 -0.08 0.21 -0.04 1.87 1.95 2wvaV1 LYS 337 HB3 0.00 -0.13 0.03 -0.04 1.79 1.65 2wvaV1 LYS 337 HG2 0.01 -0.11 0.04 -0.04 1.46 1.35 2wvaV1 LYS 337 HG3 -0.01 0.09 0.01 -0.04 1.46 1.50 2wvaV1 LYS 337 HD2 -0.03 0.26 -0.00 -0.04 1.69 1.88 2wvaV1 LYS 337 HD3 -0.01 -0.13 0.05 -0.04 1.68 1.56 2wvaV1 LYS 337 HE2 0.02 -0.15 0.00 -0.04 2.99 2.81 2wvaV1 LYS 337 HE3 -0.01 0.02 -0.14 -0.04 2.99 2.82 2wvaV1 LYS 338 H -0.05 0.76 0.25 -0.55 8.42 8.83 2wvaV1 LYS 338 HA 0.00 0.07 0.87 -0.75 4.32 4.50 2wvaV1 LYS 338 HB2 -0.02 -0.05 0.29 -0.04 1.87 2.05 2wvaV1 LYS 338 HB3 0.00 0.04 0.30 -0.04 1.79 2.09 2wvaV1 LYS 338 HG2 -0.00 0.14 -0.41 -0.04 1.46 1.15 2wvaV1 LYS 338 HG3 0.02 -0.05 0.02 -0.04 1.46 1.41 2wvaV1 LYS 338 HD2 0.01 0.06 0.13 -0.04 1.69 1.85 2wvaV1 LYS 338 HD3 0.00 -0.01 0.12 -0.04 1.68 1.76 2wvaV1 LYS 338 HE2 0.01 -0.09 -0.10 -0.04 2.99 2.77 2wvaV1 LYS 338 HE3 0.02 0.05 -0.05 -0.04 2.99 2.97 2wvaV1 THR 339 H 0.02 0.16 0.02 -0.55 8.28 7.92 2wvaV1 THR 339 HA 0.03 0.43 0.57 -0.75 4.39 4.67 2wvaV1 THR 339 HB 0.06 -0.07 0.18 -0.04 4.32 4.46 2wvaV1 THR 339 HG23 0.04 0.07 0.07 -0.04 1.22 1.36 2wvaV1 GLY 340 H 0.03 0.29 -0.29 -0.55 8.43 7.91 2wvaV1 GLY 340 HA2 0.06 0.02 0.23 -0.51 4.01 3.81 2wvaV1 GLY 340 HA3 0.04 0.08 0.01 -0.51 4.01 3.62 2wvaV1 ALA 341 H 0.04 0.22 0.00 -0.55 8.40 8.12 2wvaV1 ALA 341 HA 0.09 0.10 0.46 -0.75 4.34 4.24 2wvaV1 ALA 341 HB3 0.03 0.04 -0.14 -0.04 1.41 1.29 2wvaV1 LEU 342 H 0.09 0.19 -0.06 -0.55 8.37 8.04 2wvaV1 LEU 342 HA 0.16 0.05 0.55 -0.75 4.35 4.35 2wvaV1 LEU 342 HB2 0.09 -0.04 -0.21 -0.04 1.64 1.44 2wvaV1 LEU 342 HB3 0.11 0.15 0.12 -0.04 1.64 1.98 2wvaV1 LEU 342 HG 0.14 -0.07 -0.18 -0.04 1.64 1.49 2wvaV1 LEU 342 HD13 0.11 0.01 0.01 -0.04 0.93 1.02 2wvaV1 LEU 342 HD23 0.18 0.06 -0.11 -0.04 0.89 0.98 2wvaV1 ASP 343 H 0.12 0.68 -0.05 -0.55 8.40 8.61 2wvaV1 ASP 343 HA 0.09 0.04 0.45 -0.75 4.63 4.46 2wvaV1 ASP 343 HB2 0.10 0.08 0.05 -0.04 2.71 2.90 2wvaV1 ASP 343 HB3 0.07 -0.05 -0.03 -0.04 2.70 2.65 2wvaV1 PHE 344 H 0.26 0.51 -0.15 -0.55 8.34 8.41 2wvaV1 PHE 344 HA 0.04 0.00 0.40 -0.75 4.62 4.30 2wvaV1 PHE 344 HB2 0.04 0.02 0.11 -0.04 3.15 3.28 2wvaV1 PHE 344 HB3 0.07 0.10 0.16 -0.04 3.06 3.36 2wvaV1 PHE 344 HD2 0.07 0.02 -0.16 -0.04 7.28 7.16 2wvaV1 PHE 344 HE2 0.04 -0.06 -0.21 -0.04 7.38 7.12 2wvaV1 PHE 344 HZ 0.03 -0.03 -0.12 -0.04 7.32 7.16 2wvaV1 PHE 345 H 0.39 0.50 -0.24 -0.55 8.34 8.44 2wvaV1 PHE 345 HA 0.06 -0.02 0.40 -0.75 4.62 4.31 2wvaV1 PHE 345 HB2 0.13 -0.02 0.10 -0.04 3.15 3.32 2wvaV1 PHE 345 HB3 0.07 0.15 0.19 -0.04 3.06 3.44 2wvaV1 PHE 345 HD2 0.05 0.02 -0.12 -0.04 7.28 7.19 2wvaV1 PHE 345 HE2 0.03 0.05 -0.06 -0.04 7.38 7.36 2wvaV1 PHE 345 HZ 0.03 0.09 -0.00 -0.04 7.32 7.39 2wvaV1 LYS 346 H 0.16 0.59 -0.09 -0.55 8.42 8.52 2wvaV1 LYS 346 HA -0.20 -0.01 0.44 -0.75 4.32 3.79 2wvaV1 LYS 346 HB2 0.04 0.12 0.18 -0.04 1.87 2.17 2wvaV1 LYS 346 HB3 -0.01 -0.08 0.02 -0.04 1.79 1.68 2wvaV1 LYS 346 HG2 0.09 -0.05 0.05 -0.04 1.46 1.51 2wvaV1 LYS 346 HG3 0.23 0.11 0.08 -0.04 1.46 1.84 2wvaV1 LYS 346 HD2 0.08 -0.01 -0.03 -0.04 1.69 1.69 2wvaV1 LYS 346 HD3 0.05 -0.07 0.00 -0.04 1.68 1.62 2wvaV1 LYS 346 HE2 0.08 -0.02 -0.00 -0.04 2.99 3.00 2wvaV1 LYS 346 HE3 0.13 0.07 -0.03 -0.04 2.99 3.12 2wvaV1 SER 347 H -0.11 0.54 -0.27 -0.55 8.46 8.08 2wvaV1 SER 347 HA -0.11 0.00 0.37 -0.75 4.49 4.00 2wvaV1 SER 347 HB2 -0.10 -0.10 0.10 -0.04 3.95 3.81 2wvaV1 SER 347 HB3 -0.07 0.10 0.09 -0.04 3.93 4.00 2wvaV1 LEU 348 H -0.32 0.43 -0.57 -0.55 8.37 7.36 2wvaV1 LEU 348 HA -0.24 0.06 0.56 -0.75 4.35 3.97 2wvaV1 LEU 348 HB2 -0.35 0.24 0.16 -0.04 1.64 1.64 2wvaV1 LEU 348 HB3 -0.20 -0.13 0.04 -0.04 1.64 1.32 2wvaV1 LEU 348 HG -0.63 0.31 0.04 -0.04 1.64 1.31 2wvaV1 LEU 348 HD13 0.04 -0.05 0.03 -0.04 0.93 0.91 2wvaV1 LEU 348 HD23 -0.33 -0.02 -0.03 -0.04 0.89 0.47 2wvaV1 ASN 349 H -0.22 0.47 -0.21 -0.55 8.53 8.02 2wvaV1 ASN 349 HA -0.15 0.01 0.33 -0.75 4.76 4.20 2wvaV1 ASN 349 HB2 -0.10 0.15 -0.20 -0.04 2.88 2.69 2wvaV1 ASN 349 HB3 -0.08 -0.08 0.23 -0.04 2.79 2.82 2wvaV1 ASN 349 HD21 -0.06 -0.04 -0.02 -0.04 7.03 6.87 2wvaV1 ASN 349 HD22 -0.06 -0.02 -0.05 -0.04 7.74 7.58 2wvaV1 ALA 350 H -0.27 0.14 -0.26 -0.55 8.40 7.47 2wvaV1 ALA 350 HA -0.08 0.11 0.34 -0.75 4.34 3.95 2wvaV1 ALA 350 HB3 -0.12 -0.01 -0.12 -0.04 1.41 1.13 2wvaV1 GLY 351 H -0.12 -0.04 -0.36 -0.55 8.43 7.36 2wvaV1 GLY 351 HA2 -0.04 -0.04 0.23 -0.51 4.01 3.65 2wvaV1 GLY 351 HA3 -0.03 0.11 0.40 -0.51 4.01 3.98 2wvaV1 GLU 352 H -0.00 0.04 0.10 -0.55 8.60 8.19 2wvaV1 GLU 352 HA 0.05 0.17 0.59 -0.75 4.29 4.35 2wvaV1 GLU 352 HB2 0.02 -0.06 0.09 -0.04 2.09 2.10 2wvaV1 GLU 352 HB3 0.00 0.07 -0.08 -0.04 1.99 1.94 2wvaV1 GLU 352 HG2 0.04 0.02 0.04 -0.04 2.34 2.39 2wvaV1 GLU 352 HG3 0.06 -0.05 0.13 -0.04 2.34 2.43 2wvaV1 LEU 353 H -0.06 0.14 0.13 -0.55 8.37 8.03 2wvaV1 LEU 353 HA -0.13 0.04 0.60 -0.75 4.35 4.11 2wvaV1 LEU 353 HB2 -0.55 0.01 0.17 -0.04 1.64 1.23 2wvaV1 LEU 353 HB3 -0.21 0.01 0.13 -0.04 1.64 1.53 2wvaV1 LEU 353 HG -0.17 0.05 -0.15 -0.04 1.64 1.33 2wvaV1 LEU 353 HD13 -0.33 -0.03 0.06 -0.04 0.93 0.60 2wvaV1 LEU 353 HD23 -0.45 0.01 0.04 -0.04 0.89 0.45 2wvaV1 LYS 354 H -0.05 0.12 0.19 -0.55 8.42 8.12 2wvaV1 LYS 354 HA -0.03 0.05 0.46 -0.75 4.32 4.05 2wvaV1 LYS 354 HB2 -0.02 0.08 0.14 -0.04 1.87 2.02 2wvaV1 LYS 354 HB3 -0.03 -0.07 0.18 -0.04 1.79 1.83 2wvaV1 LYS 354 HG2 -0.02 0.06 -0.26 -0.04 1.46 1.20 2wvaV1 LYS 354 HG3 -0.02 0.02 -0.00 -0.04 1.46 1.42 2wvaV1 LYS 354 HD2 -0.01 -0.02 -0.05 -0.04 1.69 1.56 2wvaV1 LYS 354 HD3 -0.02 0.02 0.00 -0.04 1.68 1.65 2wvaV1 LYS 354 HE2 -0.02 0.00 -0.00 -0.04 2.99 2.93 2wvaV1 LYS 354 HE3 -0.01 -0.05 -0.16 -0.04 2.99 2.73 2wvaV1 LYS 355 H -0.02 0.21 0.24 -0.55 8.42 8.30 2wvaV1 LYS 355 HA -0.02 0.08 0.90 -0.75 4.32 4.52 2wvaV1 LYS 355 HB2 -0.01 0.02 0.08 -0.04 1.87 1.92 2wvaV1 LYS 355 HB3 -0.01 0.01 0.05 -0.04 1.79 1.80 2wvaV1 LYS 355 HG2 -0.02 -0.06 -0.05 -0.04 1.46 1.29 2wvaV1 LYS 355 HG3 -0.04 0.11 -0.32 -0.04 1.46 1.17 2wvaV1 LYS 355 HD2 0.00 -0.01 0.02 -0.04 1.69 1.66 2wvaV1 LYS 355 HD3 0.01 -0.04 0.00 -0.04 1.68 1.61 2wvaV1 LYS 355 HE2 0.01 0.21 0.09 -0.04 2.99 3.26 2wvaV1 LYS 355 HE3 -0.04 -0.06 0.02 -0.04 2.99 2.87 2wvaV1 ALA 356 H -0.01 0.05 0.10 -0.55 8.40 7.99 2wvaV1 ALA 356 HA -0.00 0.08 0.47 -0.75 4.34 4.13 2wvaV1 ALA 356 HB3 -0.00 -0.01 0.02 -0.04 1.41 1.38 2wvaV1 ALA 357 H -0.00 0.05 0.12 -0.55 8.40 8.02 2wvaV1 ALA 357 HA 0.00 0.22 0.69 -0.75 4.34 4.50 2wvaV1 ALA 357 HB3 0.00 0.01 0.06 -0.04 1.41 1.43 2wvaV1 PRO 358 HA 0.00 -0.05 0.37 -0.51 4.44 4.25 2wvaV1 PRO 358 HB2 0.01 -0.00 0.08 -0.04 2.28 2.32 2wvaV1 PRO 358 HB3 0.01 0.04 0.06 -0.04 2.02 2.08 2wvaV1 PRO 358 HG2 0.01 0.04 0.08 -0.04 2.03 2.11 2wvaV1 PRO 358 HG3 0.01 0.08 0.08 -0.04 2.03 2.15 2wvaV1 PRO 358 HD2 0.00 0.08 0.18 -0.04 3.68 3.90 2wvaV1 PRO 358 HD3 0.00 0.20 0.19 -0.04 3.65 4.00 2wvaV1 ALA 359 H 0.01 0.01 0.15 -0.55 8.40 8.02 2wvaV1 ALA 359 HA 0.00 0.11 0.47 -0.75 4.34 4.17 2wvaV1 ALA 359 HB3 0.01 -0.02 0.06 -0.04 1.41 1.42 2wvaV1 ASP 360 H 0.01 0.11 0.14 -0.55 8.40 8.11 2wvaV1 ASP 360 HA 0.01 0.19 0.57 -0.75 4.63 4.64 2wvaV1 ASP 360 HB2 0.00 0.10 0.15 -0.04 2.71 2.93 2wvaV1 ASP 360 HB3 0.00 -0.04 0.20 -0.04 2.70 2.83 2wvaV1 PRO 361 HA 0.01 -0.04 0.27 -0.51 4.44 4.17 2wvaV1 PRO 361 HB2 0.01 0.03 0.03 -0.04 2.28 2.31 2wvaV1 PRO 361 HB3 0.01 0.01 0.07 -0.04 2.02 2.08 2wvaV1 PRO 361 HG2 0.01 0.07 0.08 -0.04 2.03 2.15 2wvaV1 PRO 361 HG3 0.01 0.12 0.08 -0.04 2.03 2.21 2wvaV1 PRO 361 HD2 0.01 0.06 0.21 -0.04 3.68 3.91 2wvaV1 PRO 361 HD3 0.01 0.31 0.31 -0.04 3.65 4.24 2wvaV1 SER 362 H 0.01 0.12 -0.29 -0.55 8.46 7.75 2wvaV1 SER 362 HA 0.01 0.09 0.68 -0.75 4.49 4.51 2wvaV1 SER 362 HB2 0.00 0.03 0.10 -0.04 3.95 4.04 2wvaV1 SER 362 HB3 0.00 0.01 0.02 -0.04 3.93 3.92 2wvaV1 ALA 363 H 0.01 0.39 -0.26 -0.55 8.40 7.99 2wvaV1 ALA 363 HA 0.00 0.11 0.57 -0.75 4.34 4.27 2wvaV1 ALA 363 HB3 0.01 0.01 0.11 -0.04 1.41 1.50 2wvaV1 PRO 364 HA 0.01 0.18 0.58 -0.51 4.44 4.70 2wvaV1 PRO 364 HB2 0.01 -0.03 0.06 -0.04 2.28 2.28 2wvaV1 PRO 364 HB3 0.01 0.04 0.15 -0.04 2.02 2.18 2wvaV1 PRO 364 HG2 0.00 0.01 0.12 -0.04 2.03 2.12 2wvaV1 PRO 364 HG3 0.00 0.06 0.15 -0.04 2.03 2.20 2wvaV1 PRO 364 HD2 0.01 0.05 0.23 -0.04 3.68 3.92 2wvaV1 PRO 364 HD3 0.00 0.17 0.27 -0.04 3.65 4.05 2wvaV1 LEU 365 H 0.04 0.58 0.27 -0.55 8.37 8.71 2wvaV1 LEU 365 HA 0.03 -0.06 0.36 -0.75 4.35 3.92 2wvaV1 LEU 365 HB2 0.06 -0.15 -0.53 -0.04 1.64 0.98 2wvaV1 LEU 365 HB3 0.08 0.25 0.01 -0.04 1.64 1.95 2wvaV1 LEU 365 HG 0.05 0.01 -0.32 -0.04 1.64 1.33 2wvaV1 LEU 365 HD13 0.04 -0.03 -0.28 -0.04 0.93 0.62 2wvaV1 LEU 365 HD23 0.09 -0.02 -0.22 -0.04 0.89 0.70 2wvaV1 VAL 366 H 0.02 0.10 0.19 -0.55 8.24 8.00 2wvaV1 VAL 366 HA 0.03 0.23 0.89 -0.75 4.13 4.53 2wvaV1 VAL 366 HB 0.01 -0.08 0.13 -0.04 2.12 2.14 2wvaV1 VAL 366 HG13 0.01 0.09 -0.13 -0.04 0.97 0.91 2wvaV1 VAL 366 HG23 0.01 -0.06 -0.03 -0.04 0.95 0.83 2wvaV1 ASN 367 H 0.01 0.23 0.10 -0.55 8.53 8.33 2wvaV1 ASN 367 HA 0.01 0.07 0.26 -0.75 4.76 4.35 2wvaV1 ASN 367 HB2 0.01 0.28 0.07 -0.04 2.88 3.19 2wvaV1 ASN 367 HB3 0.01 -0.03 -0.05 -0.04 2.79 2.68 2wvaV1 ASN 367 HD21 0.03 -0.03 -0.13 -0.04 7.03 6.86 2wvaV1 ASN 367 HD22 0.01 0.04 -0.29 -0.04 7.74 7.46 2wvaV1 ALA 368 H 0.01 0.12 -0.17 -0.55 8.40 7.81 2wvaV1 ALA 368 HA 0.00 0.10 0.33 -0.75 4.34 4.01 2wvaV1 ALA 368 HB3 0.00 0.03 0.03 -0.04 1.41 1.43 2wvaV1 GLU 369 H 0.00 0.10 -0.36 -0.55 8.60 7.80 2wvaV1 GLU 369 HA -0.00 0.13 0.42 -0.75 4.29 4.08 2wvaV1 GLU 369 HB2 0.01 0.00 0.07 -0.04 2.09 2.13 2wvaV1 GLU 369 HB3 0.01 0.03 0.11 -0.04 1.99 2.10 2wvaV1 GLU 369 HG2 0.02 -0.05 -0.02 -0.04 2.34 2.25 2wvaV1 GLU 369 HG3 0.01 0.04 -0.21 -0.04 2.34 2.15 2wvaV1 ILE 370 H -0.01 0.34 -0.16 -0.55 8.25 7.88 2wvaV1 ILE 370 HA -0.05 0.06 0.46 -0.75 4.18 3.89 2wvaV1 ILE 370 HB -0.03 0.12 0.09 -0.04 1.89 2.03 2wvaV1 ILE 370 HG12 0.02 -0.00 -0.10 -0.04 1.49 1.37 2wvaV1 ILE 370 HG13 0.01 0.09 -0.09 -0.04 1.21 1.18 2wvaV1 ILE 370 HG23 -0.11 -0.00 -0.18 -0.04 0.93 0.59 2wvaV1 ILE 370 HD13 0.02 -0.02 -0.20 -0.04 0.88 0.64 2wvaV1 ALA 371 H -0.03 0.48 -0.11 -0.55 8.40 8.20 2wvaV1 ALA 371 HA -0.07 0.01 0.29 -0.75 4.34 3.81 2wvaV1 ALA 371 HB3 -0.00 0.02 0.05 -0.04 1.41 1.44 2wvaV1 ARG 372 H -0.03 0.42 -0.30 -0.55 8.46 8.00 2wvaV1 ARG 372 HA -0.01 0.08 0.39 -0.75 4.34 4.04 2wvaV1 ARG 372 HB2 -0.01 0.03 0.05 -0.04 1.90 1.93 2wvaV1 ARG 372 HB3 -0.01 0.00 0.10 -0.04 1.80 1.86 2wvaV1 ARG 372 HG2 -0.00 0.00 -0.21 -0.04 1.67 1.42 2wvaV1 ARG 372 HG3 -0.00 0.06 -0.01 -0.04 1.67 1.67 2wvaV1 ARG 372 HD2 0.00 0.03 -0.10 -0.04 3.22 3.11 2wvaV1 ARG 372 HD3 -0.00 0.03 -0.32 -0.04 3.22 2.89 2wvaV1 GLN 373 H -0.04 0.42 -0.13 -0.55 8.47 8.17 2wvaV1 GLN 373 HA -0.01 0.07 0.37 -0.75 4.36 4.03 2wvaV1 GLN 373 HB2 -0.05 0.01 0.09 -0.04 2.15 2.16 2wvaV1 GLN 373 HB3 0.00 0.01 -0.03 -0.04 2.02 1.96 2wvaV1 GLN 373 HG2 0.00 -0.01 -0.00 -0.04 2.40 2.34 2wvaV1 GLN 373 HG3 -0.01 0.20 0.09 -0.04 2.39 2.63 2wvaV1 GLN 373 HE21 0.03 0.29 0.14 -0.04 6.97 7.39 2wvaV1 GLN 373 HE22 0.02 -0.08 0.01 -0.04 7.69 7.59 2wvaV1 VAL 374 H -0.18 0.54 -0.14 -0.55 8.24 7.91 2wvaV1 VAL 374 HA -0.22 0.06 0.41 -0.75 4.13 3.63 2wvaV1 VAL 374 HB -0.23 0.04 0.03 -0.04 2.12 1.93 2wvaV1 VAL 374 HG13 -0.15 0.00 -0.21 -0.04 0.97 0.57 2wvaV1 VAL 374 HG23 -1.08 -0.01 -0.05 -0.04 0.95 -0.23 2wvaV1 GLU 375 H -0.06 0.51 -0.21 -0.55 8.60 8.29 2wvaV1 GLU 375 HA -0.01 0.02 0.37 -0.75 4.29 3.91 2wvaV1 GLU 375 HB2 -0.01 -0.02 0.12 -0.04 2.09 2.14 2wvaV1 GLU 375 HB3 -0.01 0.12 0.18 -0.04 1.99 2.23 2wvaV1 GLU 375 HG2 0.01 0.04 -0.15 -0.04 2.34 2.20 2wvaV1 GLU 375 HG3 0.02 0.04 0.10 -0.04 2.34 2.46 2wvaV1 ALA 376 H -0.02 0.37 -0.30 -0.55 8.40 7.91 2wvaV1 ALA 376 HA 0.01 0.07 0.47 -0.75 4.34 4.14 2wvaV1 ALA 376 HB3 0.01 -0.01 0.10 -0.04 1.41 1.46 2wvaV1 LEU 377 H 0.00 0.38 -0.58 -0.55 8.37 7.63 2wvaV1 LEU 377 HA 0.04 0.07 0.64 -0.75 4.35 4.35 2wvaV1 LEU 377 HB2 0.04 0.18 0.15 -0.04 1.64 1.97 2wvaV1 LEU 377 HB3 0.07 -0.06 -0.01 -0.04 1.64 1.59 2wvaV1 LEU 377 HG 0.08 0.01 -0.05 -0.04 1.64 1.64 2wvaV1 LEU 377 HD13 0.25 -0.04 -0.05 -0.04 0.93 1.05 2wvaV1 LEU 377 HD23 0.07 0.00 0.00 -0.04 0.89 0.93 2wvaV1 LEU 378 H 0.01 0.39 -0.28 -0.55 8.37 7.95 2wvaV1 LEU 378 HA 0.02 -0.05 0.43 -0.75 4.35 3.99 2wvaV1 LEU 378 HB2 0.01 0.11 0.19 -0.04 1.64 1.91 2wvaV1 LEU 378 HB3 0.01 -0.04 0.03 -0.04 1.64 1.60 2wvaV1 LEU 378 HG 0.00 0.09 0.17 -0.04 1.64 1.86 2wvaV1 LEU 378 HD13 0.00 0.00 -0.08 -0.04 0.93 0.81 2wvaV1 LEU 378 HD23 0.01 -0.04 -0.15 -0.04 0.89 0.66 2wvaV1 THR 379 H 0.02 0.13 0.28 -0.55 8.28 8.16 2wvaV1 THR 379 HA 0.01 0.23 0.78 -0.75 4.39 4.66 2wvaV1 THR 379 HB 0.01 0.02 0.15 -0.04 4.32 4.46 2wvaV1 THR 379 HG23 0.02 0.09 -0.15 -0.04 1.22 1.14 2wvaV1 PRO 380 HA -0.00 0.06 0.14 -0.51 4.44 4.13 2wvaV1 PRO 380 HB2 -0.00 -0.01 -0.01 -0.04 2.28 2.22 2wvaV1 PRO 380 HB3 -0.01 0.28 0.19 -0.04 2.02 2.44 2wvaV1 PRO 380 HG2 -0.00 0.00 0.08 -0.04 2.03 2.07 2wvaV1 PRO 380 HG3 -0.00 0.00 0.06 -0.04 2.03 2.05 2wvaV1 PRO 380 HD2 0.01 0.10 0.18 -0.04 3.68 3.92 2wvaV1 PRO 380 HD3 0.01 0.15 0.20 -0.04 3.65 3.96 2wvaV1 ASN 381 H 0.01 -0.07 -0.82 -0.55 8.53 7.11 2wvaV1 ASN 381 HA 0.01 0.27 0.76 -0.75 4.76 5.05 2wvaV1 ASN 381 HB2 0.01 -0.05 -0.04 -0.04 2.88 2.76 2wvaV1 ASN 381 HB3 0.02 -0.03 0.02 -0.04 2.79 2.76 2wvaV1 ASN 381 HD21 0.01 0.55 0.21 -0.04 7.03 7.77 2wvaV1 ASN 381 HD22 0.02 -0.08 0.07 -0.04 7.74 7.70 2wvaV1 THR 382 H 0.02 0.51 -0.08 -0.55 8.28 8.17 2wvaV1 THR 382 HA 0.04 0.26 0.87 -0.75 4.39 4.80 2wvaV1 THR 382 HB 0.02 0.02 0.21 -0.04 4.32 4.53 2wvaV1 THR 382 HG23 0.03 0.02 -0.11 -0.04 1.22 1.12 2wvaV1 THR 383 H 0.04 0.67 0.36 -0.55 8.28 8.80 2wvaV1 THR 383 HA -0.03 0.28 0.81 -0.75 4.39 4.71 2wvaV1 THR 383 HB 0.01 -0.04 0.04 -0.04 4.32 4.29 2wvaV1 THR 383 HG23 -0.48 -0.04 -0.33 -0.04 1.22 0.33 2wvaV1 VAL 384 H -0.08 0.73 0.27 -0.55 8.24 8.62 2wvaV1 VAL 384 HA -0.03 0.25 1.03 -0.75 4.13 4.63 2wvaV1 VAL 384 HB -0.08 -0.01 0.15 -0.04 2.12 2.14 2wvaV1 VAL 384 HG13 -0.01 -0.05 -0.27 -0.04 0.97 0.60 2wvaV1 VAL 384 HG23 -0.01 0.02 -0.12 -0.04 0.95 0.80 2wvaV1 ILE 385 H -0.06 0.79 0.33 -0.55 8.25 8.77 2wvaV1 ILE 385 HA -0.03 0.16 0.86 -0.75 4.18 4.41 2wvaV1 ILE 385 HB -0.11 -0.15 0.19 -0.04 1.89 1.78 2wvaV1 ILE 385 HG12 -0.18 0.20 -0.05 -0.04 1.49 1.42 2wvaV1 ILE 385 HG13 -0.21 -0.06 -0.08 -0.04 1.21 0.81 2wvaV1 ILE 385 HG23 -0.34 -0.02 -0.15 -0.04 0.93 0.38 2wvaV1 ILE 385 HD13 -0.43 0.02 -0.21 -0.04 0.88 0.22 2wvaV1 ALA 386 H 0.16 0.69 0.20 -0.55 8.40 8.90 2wvaV1 ALA 386 HA 0.16 0.13 0.98 -0.75 4.34 4.86 2wvaV1 ALA 386 HB3 0.09 0.03 -0.10 -0.04 1.41 1.40 2wvaV1 GLU 387 H 0.21 0.61 0.25 -0.55 8.60 9.12 2wvaV1 GLU 387 HA 0.49 0.04 0.38 -0.75 4.29 4.45 2wvaV1 GLU 387 HB2 0.15 0.06 0.12 -0.04 2.09 2.38 2wvaV1 GLU 387 HB3 0.10 -0.08 0.23 -0.04 1.99 2.20 2wvaV1 GLU 387 HG2 0.08 -0.15 0.10 -0.04 2.34 2.33 2wvaV1 GLU 387 HG3 0.03 0.35 0.01 -0.04 2.34 2.68 2wvaV1 THR 388 H 0.14 0.08 0.11 -0.55 8.28 8.06 2wvaV1 THR 388 HA -1.99 0.12 0.50 -0.75 4.39 2.27 2wvaV1 THR 388 HB -0.19 -0.13 0.02 -0.04 4.32 3.97 2wvaV1 THR 388 HG23 -0.76 0.04 -0.11 -0.04 1.22 0.35 2wvaV1 GLY 389 H -1.11 0.30 0.26 -0.55 8.43 7.33 2wvaV1 GLY 389 HA2 -0.19 0.02 0.40 -0.51 4.01 3.73 2wvaV1 GLY 389 HA3 -0.15 0.09 0.72 -0.51 4.01 4.16 2wvaV1 ASP 390 H 0.02 0.14 0.18 -0.55 8.40 8.18 2wvaV1 ASP 390 HA 0.28 0.12 0.43 -0.75 4.63 4.70 2wvaV1 ASP 390 HB2 0.04 0.01 0.15 -0.04 2.71 2.88 2wvaV1 ASP 390 HB3 0.06 0.08 0.04 -0.04 2.70 2.83 2wvaV1 SER 391 H 0.06 0.02 -0.44 -0.55 8.46 7.55 2wvaV1 SER 391 HA 0.13 0.05 0.38 -0.75 4.49 4.29 2wvaV1 SER 391 HB2 0.10 0.15 -0.07 -0.04 3.95 4.10 2wvaV1 SER 391 HB3 0.15 0.11 -0.03 -0.04 3.93 4.12 2wvaV1 TRP 392 H 0.21 0.34 -0.31 -0.55 7.97 7.66 2wvaV1 TRP 392 HA 0.15 0.13 0.36 -0.75 4.62 4.50 2wvaV1 TRP 392 HB2 -0.28 0.12 0.18 -0.04 3.23 3.21 2wvaV1 TRP 392 HB3 -0.74 0.03 -0.10 -0.04 3.23 2.38 2wvaV1 TRP 392 HD1 0.14 0.12 -0.36 -0.04 7.22 7.08 2wvaV1 TRP 392 HE1 -0.01 -0.06 -0.19 -0.04 10.20 9.90 2wvaV1 TRP 392 HE3 -0.72 0.02 -0.02 -0.04 7.59 6.83 2wvaV1 TRP 392 HZ2 -0.04 0.05 -0.09 -0.04 7.44 7.33 2wvaV1 TRP 392 HZ3 -0.19 0.04 -0.02 -0.04 7.13 6.92 2wvaV1 TRP 392 HH2 0.34 0.14 -0.01 -0.04 7.19 7.62 2wvaV1 PHE 393 H 0.38 0.12 -0.20 -0.55 8.34 8.09 2wvaV1 PHE 393 HA 0.21 0.15 0.37 -0.75 4.62 4.60 2wvaV1 PHE 393 HB2 0.05 -0.01 0.15 -0.04 3.15 3.30 2wvaV1 PHE 393 HB3 0.04 -0.03 0.02 -0.04 3.06 3.04 2wvaV1 PHE 393 HD2 -0.07 0.02 -0.00 -0.04 7.28 7.19 2wvaV1 PHE 393 HE2 -0.86 0.04 -0.09 -0.04 7.38 6.43 2wvaV1 PHE 393 HZ -1.92 0.06 -0.07 -0.04 7.32 5.36 2wvaV1 ASN 394 H 0.23 0.48 0.03 -0.55 8.53 8.73 2wvaV1 ASN 394 HA 0.12 0.04 0.51 -0.75 4.76 4.67 2wvaV1 ASN 394 HB2 0.10 -0.03 0.09 -0.04 2.88 3.00 2wvaV1 ASN 394 HB3 0.05 0.07 -0.06 -0.04 2.79 2.81 2wvaV1 ASN 394 HD21 0.05 -0.07 -0.09 -0.04 7.03 6.87 2wvaV1 ASN 394 HD22 0.06 -0.04 -0.18 -0.04 7.74 7.54 2wvaV1 ALA 395 H 0.17 0.48 -0.21 -0.55 8.40 8.29 2wvaV1 ALA 395 HA 0.05 0.06 0.35 -0.75 4.34 4.05 2wvaV1 ALA 395 HB3 0.08 0.02 0.03 -0.04 1.41 1.50 2wvaV1 GLN 396 H 0.20 0.30 -0.24 -0.55 8.47 8.19 2wvaV1 GLN 396 HA 0.15 0.06 0.33 -0.75 4.36 4.15 2wvaV1 GLN 396 HB2 0.12 0.08 0.12 -0.04 2.15 2.42 2wvaV1 GLN 396 HB3 0.26 0.03 0.05 -0.04 2.02 2.32 2wvaV1 GLN 396 HG2 0.33 -0.08 -0.03 -0.04 2.40 2.58 2wvaV1 GLN 396 HG3 0.24 0.02 0.00 -0.04 2.39 2.61 2wvaV1 GLN 396 HE21 -0.15 0.31 0.11 -0.04 6.97 7.21 2wvaV1 GLN 396 HE22 -0.07 0.02 0.02 -0.04 7.69 7.62 2wvaV1 ARG 397 H 0.17 0.29 -0.54 -0.55 8.46 7.82 2wvaV1 ARG 397 HA 0.23 0.06 0.52 -0.75 4.34 4.39 2wvaV1 ARG 397 HB2 0.09 0.12 0.07 -0.04 1.90 2.13 2wvaV1 ARG 397 HB3 0.04 -0.06 0.10 -0.04 1.80 1.84 2wvaV1 ARG 397 HG2 0.08 -0.02 -0.00 -0.04 1.67 1.69 2wvaV1 ARG 397 HG3 0.18 0.19 0.04 -0.04 1.67 2.03 2wvaV1 ARG 397 HD2 0.08 -0.19 -0.01 -0.04 3.22 3.05 2wvaV1 ARG 397 HD3 0.09 -0.06 -0.02 -0.04 3.22 3.19 2wvaV1 MET 398 H 0.12 0.45 -0.41 -0.55 8.47 8.09 2wvaV1 MET 398 HA 0.07 0.01 0.55 -0.75 4.52 4.40 2wvaV1 MET 398 HB2 0.04 0.14 0.08 -0.04 2.15 2.38 2wvaV1 MET 398 HB3 0.03 0.07 -0.08 -0.04 2.03 2.01 2wvaV1 MET 398 HG2 0.02 -0.02 -0.03 -0.04 2.63 2.55 2wvaV1 MET 398 HG3 0.05 0.14 -0.01 -0.04 2.56 2.70 2wvaV1 MET 398 HE3 -0.04 -0.02 -0.17 -0.04 2.10 1.83 2wvaV1 LYS 399 H 0.07 0.11 0.16 -0.55 8.42 8.20 2wvaV1 LYS 399 HA 0.14 0.06 0.61 -0.75 4.32 4.37 2wvaV1 LYS 399 HB2 0.11 -0.01 0.08 -0.04 1.87 2.01 2wvaV1 LYS 399 HB3 0.06 -0.01 0.11 -0.04 1.79 1.92 2wvaV1 LYS 399 HG2 0.07 -0.03 -0.10 -0.04 1.46 1.36 2wvaV1 LYS 399 HG3 0.07 0.05 -0.35 -0.04 1.46 1.20 2wvaV1 LYS 399 HD2 0.18 -0.02 0.02 -0.04 1.69 1.83 2wvaV1 LYS 399 HD3 0.15 -0.04 -0.02 -0.04 1.68 1.73 2wvaV1 LYS 399 HE2 0.11 -0.01 -0.17 -0.04 2.99 2.88 2wvaV1 LYS 399 HE3 0.17 0.09 -0.01 -0.04 2.99 3.20 2wvaV1 LEU 400 H 0.05 0.10 0.11 -0.55 8.37 8.08 2wvaV1 LEU 400 HA 0.01 0.24 0.69 -0.75 4.35 4.53 2wvaV1 LEU 400 HB2 -0.03 -0.16 0.08 -0.04 1.64 1.50 2wvaV1 LEU 400 HB3 -0.02 0.16 -0.06 -0.04 1.64 1.68 2wvaV1 LEU 400 HG 0.01 0.06 -0.07 -0.04 1.64 1.61 2wvaV1 LEU 400 HD13 -0.05 -0.00 -0.13 -0.04 0.93 0.71 2wvaV1 LEU 400 HD23 -0.01 0.02 -0.31 -0.04 0.89 0.54 2wvaV1 PRO 401 HA 0.00 0.01 0.53 -0.51 4.44 4.47 2wvaV1 PRO 401 HB2 -0.00 0.01 -0.25 -0.04 2.28 2.00 2wvaV1 PRO 401 HB3 0.00 0.02 0.05 -0.04 2.02 2.05 2wvaV1 PRO 401 HG2 0.01 0.01 -0.40 -0.04 2.03 1.60 2wvaV1 PRO 401 HG3 0.01 0.10 -0.03 -0.04 2.03 2.07 2wvaV1 PRO 401 HD2 0.00 0.05 0.03 -0.04 3.68 3.72 2wvaV1 PRO 401 HD3 0.01 0.35 0.17 -0.04 3.65 4.15 2wvaV1 ASN 402 H -0.02 0.08 0.15 -0.55 8.53 8.18 2wvaV1 ASN 402 HA -0.06 -0.01 0.51 -0.75 4.76 4.44 2wvaV1 ASN 402 HB2 -0.03 0.01 0.17 -0.04 2.88 2.98 2wvaV1 ASN 402 HB3 -0.05 0.08 0.02 -0.04 2.79 2.79 2wvaV1 ASN 402 HD21 -0.08 -0.05 -0.05 -0.04 7.03 6.81 2wvaV1 ASN 402 HD22 -0.06 0.07 0.01 -0.04 7.74 7.72 2wvaV1 GLY 403 H -0.04 0.13 0.16 -0.55 8.43 8.13 2wvaV1 GLY 403 HA2 -0.02 -0.04 0.38 -0.51 4.01 3.82 2wvaV1 GLY 403 HA3 -0.02 0.19 0.92 -0.51 4.01 4.60 2wvaV1 ALA 404 H -0.01 0.39 -0.25 -0.55 8.40 7.98 2wvaV1 ALA 404 HA 0.01 0.20 0.54 -0.75 4.34 4.33 2wvaV1 ALA 404 HB3 -0.00 -0.03 -0.02 -0.04 1.41 1.31 2wvaV1 ARG 405 H 0.00 0.69 0.40 -0.55 8.46 9.00 2wvaV1 ARG 405 HA 0.01 0.17 1.01 -0.75 4.34 4.77 2wvaV1 ARG 405 HB2 0.03 -0.07 0.07 -0.04 1.90 1.89 2wvaV1 ARG 405 HB3 0.05 0.00 0.00 -0.04 1.80 1.81 2wvaV1 ARG 405 HG2 0.04 0.20 -0.13 -0.04 1.67 1.73 2wvaV1 ARG 405 HG3 0.08 -0.01 -0.05 -0.04 1.67 1.66 2wvaV1 ARG 405 HD2 0.03 0.12 -0.23 -0.04 3.22 3.10 2wvaV1 ARG 405 HD3 0.03 -0.04 -0.09 -0.04 3.22 3.08 2wvaV1 VAL 406 H -0.05 0.32 0.16 -0.55 8.24 8.12 2wvaV1 VAL 406 HA -0.16 0.21 0.92 -0.75 4.13 4.34 2wvaV1 VAL 406 HB -0.27 0.11 -0.03 -0.04 2.12 1.89 2wvaV1 VAL 406 HG13 -0.68 -0.04 -0.18 -0.04 0.97 0.02 2wvaV1 VAL 406 HG23 -0.12 -0.00 -0.21 -0.04 0.95 0.57 2wvaV1 GLU 407 H -0.16 0.65 0.30 -0.55 8.60 8.84 2wvaV1 GLU 407 HA -0.01 0.26 1.02 -0.75 4.29 4.81 2wvaV1 GLU 407 HB2 0.01 -0.12 0.09 -0.04 2.09 2.03 2wvaV1 GLU 407 HB3 0.26 -0.03 -0.05 -0.04 1.99 2.13 2wvaV1 GLU 407 HG2 -0.17 -0.01 -0.32 -0.04 2.34 1.80 2wvaV1 GLU 407 HG3 -0.22 0.01 -0.14 -0.04 2.34 1.95 2wvaV1 TYR 408 H 0.01 0.38 0.19 -0.55 8.29 8.32 2wvaV1 TYR 408 HA -0.04 0.17 0.93 -0.75 4.56 4.87 2wvaV1 TYR 408 HB2 -0.32 0.22 0.13 -0.04 3.06 3.05 2wvaV1 TYR 408 HB3 -0.42 -0.23 -0.00 -0.04 2.98 2.28 2wvaV1 TYR 408 HD2 -0.25 0.06 0.01 -0.04 7.15 6.93 2wvaV1 TYR 408 HE2 -0.15 0.01 -0.01 -0.04 6.85 6.66 2wvaV1 GLU 409 H -0.21 0.17 0.03 -0.55 8.60 8.04 2wvaV1 GLU 409 HA -0.41 0.33 0.82 -0.75 4.29 4.28 2wvaV1 GLU 409 HB2 -2.87 0.09 -0.06 -0.04 2.09 -0.78 2wvaV1 GLU 409 HB3 -0.76 -0.15 0.20 -0.04 1.99 1.24 2wvaV1 GLU 409 HG2 -0.32 -0.05 0.11 -0.04 2.34 2.04 2wvaV1 GLU 409 HG3 -1.08 0.21 -0.00 -0.04 2.34 1.42 2wvaV1 MET 410 H -0.27 0.33 -0.19 -0.55 8.47 7.80 2wvaV1 MET 410 HA -0.03 0.05 0.27 -0.75 4.52 4.06 2wvaV1 MET 410 HB2 -0.56 0.09 0.03 -0.04 2.15 1.67 2wvaV1 MET 410 HB3 -0.66 -0.00 0.02 -0.04 2.03 1.35 2wvaV1 MET 410 HG2 -2.74 -0.04 -0.05 -0.04 2.63 -0.24 2wvaV1 MET 410 HG3 -1.30 -0.01 -0.05 -0.04 2.56 1.16 2wvaV1 MET 410 HE3 -2.11 0.01 -0.10 -0.04 2.10 -0.14 2wvaV1 GLN 411 H -0.05 0.06 -0.31 -0.55 8.47 7.62 2wvaV1 GLN 411 HA 0.00 0.10 0.70 -0.75 4.36 4.41 2wvaV1 GLN 411 HB2 -0.02 -0.03 0.03 -0.04 2.15 2.09 2wvaV1 GLN 411 HB3 0.04 0.04 -0.01 -0.04 2.02 2.04 2wvaV1 GLN 411 HG2 0.08 0.28 0.06 -0.04 2.40 2.77 2wvaV1 GLN 411 HG3 0.20 -0.04 -0.26 -0.04 2.39 2.25 2wvaV1 GLN 411 HE21 0.06 -0.07 0.02 -0.04 6.97 6.94 2wvaV1 GLN 411 HE22 0.16 0.04 -0.04 -0.04 7.69 7.80 2wvaV1 TRP 412 H 0.22 0.00 -0.09 -0.55 7.97 7.55 2wvaV1 TRP 412 HA 0.04 0.18 0.52 -0.75 4.62 4.60 2wvaV1 TRP 412 HB2 0.02 0.13 0.12 -0.04 3.23 3.45 2wvaV1 TRP 412 HB3 -0.02 -0.17 0.11 -0.04 3.23 3.11 2wvaV1 TRP 412 HD1 0.31 -0.12 -0.03 -0.04 7.22 7.33 2wvaV1 TRP 412 HE1 0.32 0.04 -0.02 -0.04 10.20 10.50 2wvaV1 TRP 412 HE3 0.06 0.02 -0.07 -0.04 7.59 7.55 2wvaV1 TRP 412 HZ2 0.11 -0.02 0.05 -0.04 7.44 7.54 2wvaV1 TRP 412 HZ3 0.03 0.04 -0.04 -0.04 7.13 7.12 2wvaV1 TRP 412 HH2 0.03 0.01 -0.02 -0.04 7.19 7.17 2wvaV1 GLY 413 H 0.16 0.25 0.08 -0.55 8.43 8.37 2wvaV1 GLY 413 HA2 0.22 -0.00 0.29 -0.51 4.01 4.00 2wvaV1 GLY 413 HA3 0.19 0.09 0.18 -0.51 4.01 3.96 2wvaV1 HIS 414 H 0.23 0.08 -0.10 -0.55 8.41 8.07 2wvaV1 HIS 414 HA -0.05 0.17 0.59 -0.75 4.63 4.59 2wvaV1 HIS 414 HB2 0.24 0.10 -0.04 -0.04 3.26 3.52 2wvaV1 HIS 414 HB3 0.25 -0.11 0.10 -0.04 3.20 3.40 2wvaV1 HIS 414 HD2 0.32 0.06 -0.06 -0.04 6.97 7.24 2wvaV1 HIS 414 HE1 0.24 -0.02 -0.09 -0.04 7.75 7.83 2wvaV1 ILE 415 H -0.15 0.25 0.16 -0.55 8.25 7.97 2wvaV1 ILE 415 HA 0.07 -0.08 0.38 -0.75 4.18 3.80 2wvaV1 ILE 415 HB -0.04 -0.14 0.08 -0.04 1.89 1.75 2wvaV1 ILE 415 HG12 -0.20 0.07 0.11 -0.04 1.49 1.43 2wvaV1 ILE 415 HG13 -0.08 0.03 -0.06 -0.04 1.21 1.07 2wvaV1 ILE 415 HG23 -0.16 0.04 0.02 -0.04 0.93 0.78 2wvaV1 ILE 415 HD13 -0.23 0.00 -0.10 -0.04 0.88 0.51 2wvaV1 GLY 416 H 0.12 -0.01 0.16 -0.55 8.43 8.16 2wvaV1 GLY 416 HA2 0.07 0.02 0.25 -0.51 4.01 3.83 2wvaV1 GLY 416 HA3 0.15 0.24 0.70 -0.51 4.01 4.59 2wvaV1 TRP 417 H 0.26 0.58 -0.23 -0.55 7.97 8.03 2wvaV1 TRP 417 HA -0.88 0.07 0.35 -0.75 4.62 3.41 2wvaV1 TRP 417 HB2 -0.79 0.03 0.08 -0.04 3.23 2.52 2wvaV1 TRP 417 HB3 -0.14 0.01 0.14 -0.04 3.23 3.20 2wvaV1 TRP 417 HD1 -0.42 0.00 -0.04 -0.04 7.22 6.72 2wvaV1 TRP 417 HE1 0.06 0.14 -0.18 -0.04 10.20 10.17 2wvaV1 TRP 417 HE3 0.05 -0.23 -0.10 -0.04 7.59 7.27 2wvaV1 TRP 417 HZ2 0.03 0.16 -0.26 -0.04 7.44 7.33 2wvaV1 TRP 417 HZ3 0.12 0.12 -0.33 -0.04 7.13 7.00 2wvaV1 TRP 417 HH2 0.01 0.20 -0.37 -0.04 7.19 6.99 2wvaV1 SER 418 H 0.12 -0.06 -0.29 -0.55 8.46 7.69 2wvaV1 SER 418 HA -1.50 0.14 0.00 -0.75 4.49 2.38 2wvaV1 SER 418 HB2 -0.17 0.14 -0.19 -0.04 3.95 3.69 2wvaV1 SER 418 HB3 0.13 -0.04 -0.12 -0.04 3.93 3.86 2wvaV1 VAL 419 H -0.13 0.19 -0.48 -0.55 8.24 7.27 2wvaV1 VAL 419 HA -0.05 0.10 0.25 -0.75 4.13 3.68 2wvaV1 VAL 419 HB -0.07 0.10 -0.02 -0.04 2.12 2.09 2wvaV1 VAL 419 HG13 -0.05 0.01 -0.25 -0.04 0.97 0.63 2wvaV1 VAL 419 HG23 0.04 -0.03 -0.13 -0.04 0.95 0.79 2wvaV1 PRO 420 HA 0.07 0.09 0.53 -0.51 4.44 4.61 2wvaV1 PRO 420 HB2 0.09 0.09 -0.12 -0.04 2.28 2.30 2wvaV1 PRO 420 HB3 0.05 -0.09 0.11 -0.04 2.02 2.05 2wvaV1 PRO 420 HG2 -0.01 0.15 0.04 -0.04 2.03 2.17 2wvaV1 PRO 420 HG3 0.17 -0.07 0.01 -0.04 2.03 2.10 2wvaV1 PRO 420 HD2 -0.11 0.26 0.04 -0.04 3.68 3.83 2wvaV1 PRO 420 HD3 -0.03 0.04 0.07 -0.04 3.65 3.69 2wvaV1 ALA 421 H -0.42 0.49 -0.30 -0.55 8.40 7.63 2wvaV1 ALA 421 HA -0.13 0.16 0.49 -0.75 4.34 4.11 2wvaV1 ALA 421 HB3 -0.96 -0.01 -0.09 -0.04 1.41 0.30 2wvaV1 ALA 422 H -0.29 0.51 -0.28 -0.55 8.40 7.79 2wvaV1 ALA 422 HA -0.08 0.08 0.34 -0.75 4.34 3.92 2wvaV1 ALA 422 HB3 -0.07 0.01 0.00 -0.04 1.41 1.30 2wvaV1 PHE 423 H 0.11 0.28 -0.34 -0.55 8.34 7.84 2wvaV1 PHE 423 HA 0.02 0.07 0.41 -0.75 4.62 4.36 2wvaV1 PHE 423 HB2 -0.02 -0.03 0.04 -0.04 3.15 3.10 2wvaV1 PHE 423 HB3 -0.05 0.04 0.18 -0.04 3.06 3.19 2wvaV1 PHE 423 HD2 0.00 -0.03 -0.07 -0.04 7.28 7.14 2wvaV1 PHE 423 HE2 0.14 0.06 -0.20 -0.04 7.38 7.34 2wvaV1 PHE 423 HZ 0.08 0.04 -0.09 -0.04 7.32 7.31 2wvaV1 GLY 424 H -0.02 0.57 -0.05 -0.55 8.43 8.38 2wvaV1 GLY 424 HA2 -0.25 -0.01 0.27 -0.51 4.01 3.50 2wvaV1 GLY 424 HA3 -0.19 0.26 0.37 -0.51 4.01 3.94 2wvaV1 TYR 425 H 0.09 0.61 -0.28 -0.55 8.29 8.15 2wvaV1 TYR 425 HA -0.06 0.12 0.22 -0.75 4.56 4.09 2wvaV1 TYR 425 HB2 -0.04 -0.01 -0.02 -0.04 3.06 2.94 2wvaV1 TYR 425 HB3 -0.05 -0.02 -0.01 -0.04 2.98 2.86 2wvaV1 TYR 425 HD2 -0.01 0.07 -0.23 -0.04 7.15 6.93 2wvaV1 TYR 425 HE2 -0.01 0.07 -0.24 -0.04 6.85 6.63 2wvaV1 ALA 426 H 0.08 0.54 -0.28 -0.55 8.40 8.19 2wvaV1 ALA 426 HA 0.05 0.10 0.23 -0.75 4.34 3.95 2wvaV1 ALA 426 HB3 0.05 -0.01 0.01 -0.04 1.41 1.43 2wvaV1 VAL 427 H -0.16 0.38 -0.37 -0.55 8.24 7.54 2wvaV1 VAL 427 HA -0.17 0.06 0.47 -0.75 4.13 3.74 2wvaV1 VAL 427 HB -0.12 0.11 0.07 -0.04 2.12 2.15 2wvaV1 VAL 427 HG13 -0.69 -0.03 -0.14 -0.04 0.97 0.07 2wvaV1 VAL 427 HG23 -0.51 0.01 -0.06 -0.04 0.95 0.35 2wvaV1 GLY 428 H -0.16 0.33 -0.29 -0.55 8.43 7.75 2wvaV1 GLY 428 HA2 -0.25 0.01 0.47 -0.51 4.01 3.74 2wvaV1 GLY 428 HA3 -0.62 -0.02 0.32 -0.51 4.01 3.18 2wvaV1 ALA 429 H -0.25 0.32 -0.33 -0.55 8.40 7.59 2wvaV1 ALA 429 HA -0.16 0.12 0.78 -0.75 4.34 4.33 2wvaV1 ALA 429 HB3 -0.38 -0.00 0.02 -0.04 1.41 1.01 2wvaV1 PRO 430 HA -0.01 0.13 0.43 -0.51 4.44 4.48 2wvaV1 PRO 430 HB2 -0.00 -0.04 -0.04 -0.04 2.28 2.15 2wvaV1 PRO 430 HB3 -0.01 0.05 0.12 -0.04 2.02 2.14 2wvaV1 PRO 430 HG2 -0.00 -0.05 0.02 -0.04 2.03 1.95 2wvaV1 PRO 430 HG3 -0.02 0.19 0.03 -0.04 2.03 2.19 2wvaV1 PRO 430 HD2 -0.05 -0.02 0.02 -0.04 3.68 3.59 2wvaV1 PRO 430 HD3 -0.08 0.22 -0.55 -0.04 3.65 3.20 2wvaV1 GLU 431 H -0.03 0.06 -0.38 -0.55 8.60 7.70 2wvaV1 GLU 431 HA 0.00 0.07 0.43 -0.75 4.29 4.04 2wvaV1 GLU 431 HB2 -0.01 -0.05 0.08 -0.04 2.09 2.07 2wvaV1 GLU 431 HB3 -0.02 -0.02 0.05 -0.04 1.99 1.96 2wvaV1 GLU 431 HG2 -0.01 0.08 -0.38 -0.04 2.34 1.99 2wvaV1 GLU 431 HG3 -0.02 -0.05 -0.06 -0.04 2.34 2.17 2wvaV1 ARG 432 H 0.00 0.34 -0.33 -0.55 8.46 7.92 2wvaV1 ARG 432 HA 0.03 0.12 0.75 -0.75 4.34 4.48 2wvaV1 ARG 432 HB2 0.10 0.01 -0.06 -0.04 1.90 1.91 2wvaV1 ARG 432 HB3 0.08 0.13 0.03 -0.04 1.80 1.99 2wvaV1 ARG 432 HG2 0.02 -0.01 -0.09 -0.04 1.67 1.55 2wvaV1 ARG 432 HG3 -0.01 -0.08 -0.05 -0.04 1.67 1.49 2wvaV1 ARG 432 HD2 0.03 -0.01 -0.06 -0.04 3.22 3.14 2wvaV1 ARG 432 HD3 0.15 -0.03 -0.08 -0.04 3.22 3.22 2wvaV1 ARG 433 H 0.04 0.37 0.18 -0.55 8.46 8.50 2wvaV1 ARG 433 HA 0.04 0.16 0.77 -0.75 4.34 4.56 2wvaV1 ARG 433 HB2 0.03 0.03 0.09 -0.04 1.90 2.01 2wvaV1 ARG 433 HB3 0.04 -0.09 0.12 -0.04 1.80 1.82 2wvaV1 ARG 433 HG2 0.05 -0.09 -0.25 -0.04 1.67 1.33 2wvaV1 ARG 433 HG3 0.04 0.07 -0.03 -0.04 1.67 1.71 2wvaV1 ARG 433 HD2 0.04 -0.00 0.03 -0.04 3.22 3.25 2wvaV1 ARG 433 HD3 0.06 -0.04 -0.03 -0.04 3.22 3.17 2wvaV1 ASN 434 H 0.05 0.31 0.09 -0.55 8.53 8.43 2wvaV1 ASN 434 HA 0.05 0.18 0.91 -0.75 4.76 5.16 2wvaV1 ASN 434 HB2 0.07 -0.01 0.07 -0.04 2.88 2.97 2wvaV1 ASN 434 HB3 0.07 -0.09 -0.07 -0.04 2.79 2.65 2wvaV1 ASN 434 HD21 0.08 0.35 -0.05 -0.04 7.03 7.37 2wvaV1 ASN 434 HD22 0.07 -0.05 -0.05 -0.04 7.74 7.67 2wvaV1 ILE 435 H 0.02 0.85 0.44 -0.55 8.25 9.01 2wvaV1 ILE 435 HA 0.06 0.26 1.10 -0.75 4.18 4.85 2wvaV1 ILE 435 HB 0.07 0.02 0.12 -0.04 1.89 2.06 2wvaV1 ILE 435 HG12 0.18 -0.00 -0.07 -0.04 1.49 1.55 2wvaV1 ILE 435 HG13 0.08 0.02 -0.36 -0.04 1.21 0.91 2wvaV1 ILE 435 HG23 0.30 -0.04 -0.17 -0.04 0.93 0.98 2wvaV1 ILE 435 HD13 0.12 0.00 -0.13 -0.04 0.88 0.83 2wvaV1 LEU 436 H 0.06 0.89 0.42 -0.55 8.37 9.18 2wvaV1 LEU 436 HA 0.02 0.20 1.03 -0.75 4.35 4.85 2wvaV1 LEU 436 HB2 -0.01 0.09 -0.09 -0.04 1.64 1.59 2wvaV1 LEU 436 HB3 0.02 0.02 0.03 -0.04 1.64 1.67 2wvaV1 LEU 436 HG 0.05 -0.14 -0.40 -0.04 1.64 1.10 2wvaV1 LEU 436 HD13 -0.04 0.02 -0.21 -0.04 0.93 0.66 2wvaV1 LEU 436 HD23 0.05 -0.01 -0.19 -0.04 0.89 0.70 2wvaV1 MET 437 H 0.07 0.79 0.27 -0.55 8.47 9.06 2wvaV1 MET 437 HA 0.16 0.22 1.04 -0.75 4.52 5.18 2wvaV1 MET 437 HB2 0.08 0.16 0.15 -0.04 2.15 2.50 2wvaV1 MET 437 HB3 0.09 -0.19 0.09 -0.04 2.03 1.98 2wvaV1 MET 437 HG2 0.06 -0.00 0.04 -0.04 2.63 2.69 2wvaV1 MET 437 HG3 0.05 0.10 -0.11 -0.04 2.56 2.56 2wvaV1 MET 437 HE3 0.01 0.04 -0.13 -0.04 2.10 1.98 2wvaV1 VAL 438 H 0.05 0.70 0.21 -0.55 8.24 8.66 2wvaV1 VAL 438 HA 0.07 0.03 0.98 -0.75 4.13 4.45 2wvaV1 VAL 438 HB 0.08 0.06 -0.28 -0.04 2.12 1.94 2wvaV1 VAL 438 HG13 0.06 0.03 -0.16 -0.04 0.97 0.85 2wvaV1 VAL 438 HG23 0.13 0.03 -0.08 -0.04 0.95 0.98 2wvaV1 GLY 439 H 0.02 0.10 0.18 -0.55 8.43 8.19 2wvaV1 GLY 439 HA2 -0.06 0.21 0.78 -0.51 4.01 4.43 2wvaV1 GLY 439 HA3 -0.02 -0.03 0.45 -0.51 4.01 3.90 2wvaV1 ASP 440 H -0.13 0.45 0.34 -0.55 8.40 8.51 2wvaV1 ASP 440 HA -0.46 0.11 0.34 -0.75 4.63 3.88 2wvaV1 ASP 440 HB2 -0.22 0.06 0.06 -0.04 2.71 2.57 2wvaV1 ASP 440 HB3 -0.42 0.07 0.10 -0.04 2.70 2.41 2wvaV1 GLY 441 H 0.02 0.10 -0.07 -0.55 8.43 7.93 2wvaV1 GLY 441 HA2 0.09 0.15 0.28 -0.51 4.01 4.02 2wvaV1 GLY 441 HA3 0.32 0.06 0.19 -0.51 4.01 4.07 2wvaV1 SER 442 H 0.04 0.02 -0.28 -0.55 8.46 7.70 2wvaV1 SER 442 HA 0.02 0.15 0.38 -0.75 4.49 4.28 2wvaV1 SER 442 HB2 0.05 0.06 0.13 -0.04 3.95 4.14 2wvaV1 SER 442 HB3 0.06 -0.27 0.08 -0.04 3.93 3.76 2wvaV1 PHE 443 H 0.12 0.51 -0.16 -0.55 8.34 8.26 2wvaV1 PHE 443 HA 0.01 -0.01 0.30 -0.75 4.62 4.16 2wvaV1 PHE 443 HB2 -0.12 0.07 -0.02 -0.04 3.15 3.04 2wvaV1 PHE 443 HB3 -0.20 0.13 0.05 -0.04 3.06 3.00 2wvaV1 PHE 443 HD2 0.08 -0.01 -0.13 -0.04 7.28 7.18 2wvaV1 PHE 443 HE2 0.30 0.04 -0.07 -0.04 7.38 7.61 2wvaV1 PHE 443 HZ 0.28 0.09 -0.05 -0.04 7.32 7.59 2wvaV1 GLN 444 H -0.03 0.33 -0.51 -0.55 8.47 7.71 2wvaV1 GLN 444 HA -0.21 0.01 0.27 -0.75 4.36 3.68 2wvaV1 GLN 444 HB2 -0.10 0.15 0.05 -0.04 2.15 2.21 2wvaV1 GLN 444 HB3 -0.11 0.00 0.05 -0.04 2.02 1.92 2wvaV1 GLN 444 HG2 -1.89 -0.07 -0.02 -0.04 2.40 0.38 2wvaV1 GLN 444 HG3 -0.41 0.20 0.04 -0.04 2.39 2.18 2wvaV1 GLN 444 HE21 -0.45 0.48 0.02 -0.04 6.97 6.98 2wvaV1 GLN 444 HE22 -0.67 -0.16 -0.04 -0.04 7.69 6.77 2wvaV1 LEU 445 H 0.03 0.43 -0.37 -0.55 8.37 7.91 2wvaV1 LEU 445 HA 0.11 0.10 0.48 -0.75 4.35 4.29 2wvaV1 LEU 445 HB2 0.10 0.07 0.08 -0.04 1.64 1.85 2wvaV1 LEU 445 HB3 0.17 -0.03 0.00 -0.04 1.64 1.75 2wvaV1 LEU 445 HG 0.09 -0.01 -0.00 -0.04 1.64 1.67 2wvaV1 LEU 445 HD13 0.03 -0.04 -0.03 -0.04 0.93 0.85 2wvaV1 LEU 445 HD23 0.05 0.07 0.00 -0.04 0.89 0.97 2wvaV1 THR 446 H -0.04 0.31 -0.15 -0.55 8.28 7.85 2wvaV1 THR 446 HA 0.04 0.17 0.86 -0.75 4.39 4.70 2wvaV1 THR 446 HB 0.02 -0.09 0.12 -0.04 4.32 4.33 2wvaV1 THR 446 HG23 0.16 0.00 -0.30 -0.04 1.22 1.04 2wvaV1 ALA 447 H -0.11 0.30 -0.03 -0.55 8.40 8.02 2wvaV1 ALA 447 HA -0.79 0.00 0.28 -0.75 4.34 3.07 2wvaV1 ALA 447 HB3 -0.05 0.04 0.01 -0.04 1.41 1.37 2wvaV1 GLN 448 H 0.01 0.11 -0.37 -0.55 8.47 7.67 2wvaV1 GLN 448 HA -0.26 0.10 0.30 -0.75 4.36 3.74 2wvaV1 GLN 448 HB2 -0.13 0.04 0.06 -0.04 2.15 2.08 2wvaV1 GLN 448 HB3 0.04 0.05 0.05 -0.04 2.02 2.11 2wvaV1 GLN 448 HG2 -0.06 -0.02 -0.07 -0.04 2.40 2.21 2wvaV1 GLN 448 HG3 -0.03 -0.00 -0.06 -0.04 2.39 2.27 2wvaV1 GLN 448 HE21 0.07 0.07 -0.03 -0.04 6.97 7.04 2wvaV1 GLN 448 HE22 0.04 0.01 -0.04 -0.04 7.69 7.66 2wvaV1 GLU 449 H -0.15 0.54 -0.22 -0.55 8.60 8.23 2wvaV1 GLU 449 HA -0.29 0.02 0.42 -0.75 4.29 3.69 2wvaV1 GLU 449 HB2 -0.10 0.03 0.10 -0.04 2.09 2.08 2wvaV1 GLU 449 HB3 -0.13 0.08 -0.15 -0.04 1.99 1.75 2wvaV1 GLU 449 HG2 -0.05 0.03 0.04 -0.04 2.34 2.32 2wvaV1 GLU 449 HG3 -0.48 0.09 0.10 -0.04 2.34 2.01 2wvaV1 VAL 450 H -0.18 0.47 -0.33 -0.55 8.24 7.65 2wvaV1 VAL 450 HA -0.03 0.09 0.48 -0.75 4.13 3.92 2wvaV1 VAL 450 HB 0.18 0.07 0.05 -0.04 2.12 2.38 2wvaV1 VAL 450 HG13 0.24 0.01 -0.12 -0.04 0.97 1.05 2wvaV1 VAL 450 HG23 0.28 -0.01 -0.01 -0.04 0.95 1.18 2wvaV1 ALA 451 H -0.76 0.42 -0.19 -0.55 8.40 7.32 2wvaV1 ALA 451 HA -0.22 0.06 0.43 -0.75 4.34 3.85 2wvaV1 ALA 451 HB3 -0.64 0.02 0.11 -0.04 1.41 0.86 2wvaV1 GLN 452 H -0.39 0.22 -0.34 -0.55 8.47 7.41 2wvaV1 GLN 452 HA -0.17 0.09 0.57 -0.75 4.36 4.09 2wvaV1 GLN 452 HB2 -1.35 0.10 0.11 -0.04 2.15 0.97 2wvaV1 GLN 452 HB3 -0.69 0.08 0.08 -0.04 2.02 1.45 2wvaV1 GLN 452 HG2 -0.36 -0.10 0.08 -0.04 2.40 1.98 2wvaV1 GLN 452 HG3 -0.39 -0.08 0.12 -0.04 2.39 2.00 2wvaV1 GLN 452 HE21 -0.04 0.04 -0.17 -0.04 6.97 6.76 2wvaV1 GLN 452 HE22 -0.12 -0.18 -0.12 -0.04 7.69 7.23 2wvaV1 MET 453 H -0.21 0.23 -0.12 -0.55 8.47 7.83 2wvaV1 MET 453 HA 0.26 0.10 0.51 -0.75 4.52 4.63 2wvaV1 MET 453 HB2 0.05 0.10 0.19 -0.04 2.15 2.45 2wvaV1 MET 453 HB3 0.11 0.10 0.07 -0.04 2.03 2.27 2wvaV1 MET 453 HG2 0.32 0.05 0.00 -0.04 2.63 2.96 2wvaV1 MET 453 HG3 0.04 0.02 0.08 -0.04 2.56 2.66 2wvaV1 MET 453 HE3 0.09 -0.04 -0.17 -0.04 2.10 1.94 2wvaV1 VAL 454 H -0.00 0.40 -0.13 -0.55 8.24 7.96 2wvaV1 VAL 454 HA 0.06 0.04 0.53 -0.75 4.13 4.01 2wvaV1 VAL 454 HB 0.04 0.20 0.16 -0.04 2.12 2.47 2wvaV1 VAL 454 HG13 0.07 -0.03 -0.03 -0.04 0.97 0.95 2wvaV1 VAL 454 HG23 0.12 0.02 -0.00 -0.04 0.95 1.04 2wvaV1 ARG 455 H -0.00 0.40 -0.11 -0.55 8.46 8.19 2wvaV1 ARG 455 HA 0.04 0.04 0.43 -0.75 4.34 4.10 2wvaV1 ARG 455 HB2 -0.00 0.03 0.20 -0.04 1.90 2.09 2wvaV1 ARG 455 HB3 0.03 0.08 0.23 -0.04 1.80 2.09 2wvaV1 ARG 455 HG2 0.06 0.05 -0.09 -0.04 1.67 1.65 2wvaV1 ARG 455 HG3 0.04 -0.03 0.09 -0.04 1.67 1.73 2wvaV1 ARG 455 HD2 0.02 -0.06 0.01 -0.04 3.22 3.15 2wvaV1 ARG 455 HD3 0.07 0.02 0.03 -0.04 3.22 3.30 2wvaV1 LEU 456 H 0.11 0.46 -0.19 -0.55 8.37 8.21 2wvaV1 LEU 456 HA 0.08 0.11 0.68 -0.75 4.35 4.46 2wvaV1 LEU 456 HB2 0.20 0.02 0.05 -0.04 1.64 1.87 2wvaV1 LEU 456 HB3 0.09 0.02 0.14 -0.04 1.64 1.85 2wvaV1 LEU 456 HG 0.26 0.05 0.04 -0.04 1.64 1.96 2wvaV1 LEU 456 HD13 0.12 -0.02 -0.02 -0.04 0.93 0.97 2wvaV1 LEU 456 HD23 0.09 -0.02 -0.12 -0.04 0.89 0.80 2wvaV1 LYS 457 H 0.07 0.27 -0.58 -0.55 8.42 7.62 2wvaV1 LYS 457 HA 0.05 0.08 0.34 -0.75 4.32 4.04 2wvaV1 LYS 457 HB2 0.04 0.06 -0.14 -0.04 1.87 1.79 2wvaV1 LYS 457 HB3 0.04 -0.01 0.17 -0.04 1.79 1.95 2wvaV1 LYS 457 HG2 0.04 -0.01 0.10 -0.04 1.46 1.55 2wvaV1 LYS 457 HG3 0.05 0.09 -0.10 -0.04 1.46 1.45 2wvaV1 LYS 457 HD2 0.04 -0.00 -0.08 -0.04 1.69 1.60 2wvaV1 LYS 457 HD3 0.03 -0.05 0.01 -0.04 1.68 1.63 2wvaV1 LYS 457 HE2 0.04 0.08 0.03 -0.04 2.99 3.10 2wvaV1 LYS 457 HE3 0.03 -0.07 0.01 -0.04 2.99 2.92 2wvaV1 LEU 458 H 0.09 0.43 -0.08 -0.55 8.37 8.26 2wvaV1 LEU 458 HA 0.05 0.29 0.63 -0.75 4.35 4.57 2wvaV1 LEU 458 HB2 0.13 -0.21 0.06 -0.04 1.64 1.57 2wvaV1 LEU 458 HB3 0.07 0.04 -0.08 -0.04 1.64 1.63 2wvaV1 LEU 458 HG 0.14 -0.03 -0.23 -0.04 1.64 1.48 2wvaV1 LEU 458 HD13 0.14 -0.06 -0.11 -0.04 0.93 0.86 2wvaV1 LEU 458 HD23 0.03 0.07 -0.17 -0.04 0.89 0.77 2wvaV1 PRO 459 HA 0.03 0.26 0.00 -0.51 4.44 4.22 2wvaV1 PRO 459 HB2 0.03 -0.05 0.23 -0.04 2.28 2.44 2wvaV1 PRO 459 HB3 0.02 0.14 0.16 -0.04 2.02 2.30 2wvaV1 PRO 459 HG2 0.03 0.06 0.11 -0.04 2.03 2.19 2wvaV1 PRO 459 HG3 0.03 0.19 0.08 -0.04 2.03 2.29 2wvaV1 PRO 459 HD2 0.04 0.09 0.06 -0.04 3.68 3.83 2wvaV1 PRO 459 HD3 0.04 0.24 0.28 -0.04 3.65 4.16 2wvaV1 VAL 460 H 0.05 0.32 -0.42 -0.55 8.24 7.64 2wvaV1 VAL 460 HA 0.03 0.22 0.49 -0.75 4.13 4.12 2wvaV1 VAL 460 HB 0.06 -0.13 0.02 -0.04 2.12 2.02 2wvaV1 VAL 460 HG13 0.03 -0.03 -0.30 -0.04 0.97 0.63 2wvaV1 VAL 460 HG23 0.08 0.02 -0.15 -0.04 0.95 0.86 2wvaV1 ILE 461 H -0.00 0.69 0.41 -0.55 8.25 8.80 2wvaV1 ILE 461 HA -0.12 0.15 1.05 -0.75 4.18 4.51 2wvaV1 ILE 461 HB -0.03 -0.05 0.21 -0.04 1.89 1.97 2wvaV1 ILE 461 HG12 -0.05 0.02 -0.06 -0.04 1.49 1.36 2wvaV1 ILE 461 HG13 -0.01 0.21 0.03 -0.04 1.21 1.40 2wvaV1 ILE 461 HG23 -0.44 -0.04 -0.12 -0.04 0.93 0.28 2wvaV1 ILE 461 HD13 0.03 -0.01 -0.08 -0.04 0.88 0.78 2wvaV1 ILE 462 H -0.19 0.84 0.38 -0.55 8.25 8.73 2wvaV1 ILE 462 HA -0.07 0.19 1.00 -0.75 4.18 4.55 2wvaV1 ILE 462 HB -0.08 -0.09 0.17 -0.04 1.89 1.85 2wvaV1 ILE 462 HG12 0.02 0.02 -0.24 -0.04 1.49 1.24 2wvaV1 ILE 462 HG13 -0.01 0.20 -0.25 -0.04 1.21 1.11 2wvaV1 ILE 462 HG23 -0.03 -0.05 -0.23 -0.04 0.93 0.57 2wvaV1 ILE 462 HD13 0.12 -0.03 -0.12 -0.04 0.88 0.81 2wvaV1 PHE 463 H 0.10 0.90 0.40 -0.55 8.34 9.19 2wvaV1 PHE 463 HA -0.05 0.23 1.06 -0.75 4.62 5.11 2wvaV1 PHE 463 HB2 -0.02 -0.04 0.26 -0.04 3.15 3.31 2wvaV1 PHE 463 HB3 -0.03 -0.08 0.03 -0.04 3.06 2.95 2wvaV1 PHE 463 HD2 -0.00 0.00 -0.06 -0.04 7.28 7.18 2wvaV1 PHE 463 HE2 0.01 0.04 -0.10 -0.04 7.38 7.29 2wvaV1 PHE 463 HZ 0.01 0.09 -0.10 -0.04 7.32 7.28 2wvaV1 LEU 464 H -0.10 0.48 0.07 -0.55 8.37 8.27 2wvaV1 LEU 464 HA -0.20 0.24 0.69 -0.75 4.35 4.32 2wvaV1 LEU 464 HB2 -0.39 0.05 -0.07 -0.04 1.64 1.19 2wvaV1 LEU 464 HB3 -0.28 -0.05 0.08 -0.04 1.64 1.34 2wvaV1 LEU 464 HG -0.76 -0.03 -0.10 -0.04 1.64 0.71 2wvaV1 LEU 464 HD13 -0.84 -0.02 -0.33 -0.04 0.93 -0.30 2wvaV1 LEU 464 HD23 -0.87 0.03 -0.18 -0.04 0.89 -0.17 2wvaV1 ILE 465 H -0.10 0.59 0.30 -0.55 8.25 8.49 2wvaV1 ILE 465 HA -0.08 0.19 0.67 -0.75 4.18 4.21 2wvaV1 ILE 465 HB -0.04 -0.23 0.22 -0.04 1.89 1.79 2wvaV1 ILE 465 HG12 0.00 0.17 -0.07 -0.04 1.49 1.56 2wvaV1 ILE 465 HG13 0.01 -0.08 -0.10 -0.04 1.21 1.00 2wvaV1 ILE 465 HG23 -0.02 -0.00 -0.12 -0.04 0.93 0.75 2wvaV1 ILE 465 HD13 0.02 0.02 -0.23 -0.04 0.88 0.65 2wvaV1 ASN 466 H -0.21 0.91 0.39 -0.55 8.53 9.07 2wvaV1 ASN 466 HA -0.19 -0.10 0.85 -0.75 4.76 4.58 2wvaV1 ASN 466 HB2 -0.40 -0.02 0.05 -0.04 2.88 2.47 2wvaV1 ASN 466 HB3 -0.60 0.14 0.19 -0.04 2.79 2.47 2wvaV1 ASN 466 HD21 0.12 0.05 0.06 -0.04 7.03 7.22 2wvaV1 ASN 466 HD22 -0.30 0.00 0.04 -0.04 7.74 7.44 2wvaV1 ASN 467 H -0.03 0.14 0.15 -0.55 8.53 8.24 2wvaV1 ASN 467 HA 0.05 0.62 0.93 -0.75 4.76 5.61 2wvaV1 ASN 467 HB2 0.03 0.04 -0.21 -0.04 2.88 2.70 2wvaV1 ASN 467 HB3 0.01 0.02 -0.16 -0.04 2.79 2.63 2wvaV1 ASN 467 HD21 0.01 -0.22 0.08 -0.04 7.03 6.86 2wvaV1 ASN 467 HD22 0.01 0.18 -0.02 -0.04 7.74 7.87 2wvaV1 TYR 468 H 0.10 -0.03 -0.09 -0.55 8.29 7.71 2wvaV1 TYR 468 HA -0.01 -0.03 0.32 -0.75 4.56 4.09 2wvaV1 TYR 468 HB2 0.04 0.02 -0.11 -0.04 3.06 2.96 2wvaV1 TYR 468 HB3 0.01 0.13 -0.07 -0.04 2.98 3.01 2wvaV1 TYR 468 HD2 0.01 -0.05 0.02 -0.04 7.15 7.09 2wvaV1 TYR 468 HE2 0.01 -0.01 0.06 -0.04 6.85 6.86 2wvaV1 GLY 469 H -0.02 -0.05 0.05 -0.55 8.43 7.87 2wvaV1 GLY 469 HA2 -0.32 0.03 0.28 -0.51 4.01 3.50 2wvaV1 GLY 469 HA3 -0.23 0.35 0.94 -0.51 4.01 4.55 2wvaV1 TYR 470 H -0.18 0.78 0.23 -0.55 8.29 8.58 2wvaV1 TYR 470 HA -0.04 -0.04 0.69 -0.75 4.56 4.42 2wvaV1 TYR 470 HB2 -0.00 0.11 0.30 -0.04 3.06 3.43 2wvaV1 TYR 470 HB3 -0.01 -0.12 0.16 -0.04 2.98 2.97 2wvaV1 TYR 470 HD2 0.00 -0.07 -0.02 -0.04 7.15 7.02 2wvaV1 TYR 470 HE2 -0.00 0.06 -0.01 -0.04 6.85 6.85 2wvaV1 THR 471 H 0.06 0.25 0.11 -0.55 8.28 8.14 2wvaV1 THR 471 HA 0.02 0.16 0.19 -0.75 4.39 4.00 2wvaV1 THR 471 HB 0.02 -0.17 0.15 -0.04 4.32 4.28 2wvaV1 THR 471 HG23 0.00 0.03 -0.13 -0.04 1.22 1.08 2wvaV1 ILE 472 H 0.03 -0.01 -0.06 -0.55 8.25 7.66 2wvaV1 ILE 472 HA 0.05 0.14 0.33 -0.75 4.18 3.94 2wvaV1 ILE 472 HB 0.01 -0.13 0.03 -0.04 1.89 1.76 2wvaV1 ILE 472 HG12 0.05 0.09 -0.30 -0.04 1.49 1.29 2wvaV1 ILE 472 HG13 0.20 0.10 -0.06 -0.04 1.21 1.41 2wvaV1 ILE 472 HG23 -0.07 -0.01 0.03 -0.04 0.93 0.83 2wvaV1 ILE 472 HD13 -0.03 0.01 -0.05 -0.04 0.88 0.76 2wvaV1 GLU 473 H 0.05 0.01 -0.28 -0.55 8.60 7.84 2wvaV1 GLU 473 HA 0.06 0.11 0.48 -0.75 4.29 4.18 2wvaV1 GLU 473 HB2 0.05 -0.16 0.10 -0.04 2.09 2.04 2wvaV1 GLU 473 HB3 0.17 0.10 0.02 -0.04 1.99 2.24 2wvaV1 GLU 473 HG2 0.10 0.03 -0.01 -0.04 2.34 2.42 2wvaV1 GLU 473 HG3 0.09 0.09 0.06 -0.04 2.34 2.54 2wvaV1 VAL 474 H 0.06 0.33 -0.22 -0.55 8.24 7.87 2wvaV1 VAL 474 HA 0.01 0.01 0.23 -0.75 4.13 3.63 2wvaV1 VAL 474 HB 0.01 0.16 0.12 -0.04 2.12 2.37 2wvaV1 VAL 474 HG13 -0.02 -0.01 -0.23 -0.04 0.97 0.67 2wvaV1 VAL 474 HG23 -0.01 0.03 -0.06 -0.04 0.95 0.87 2wvaV1 MET 475 H 0.03 0.32 -0.38 -0.55 8.47 7.89 2wvaV1 MET 475 HA -0.01 0.10 0.46 -0.75 4.52 4.32 2wvaV1 MET 475 HB2 0.02 0.01 -0.01 -0.04 2.15 2.13 2wvaV1 MET 475 HB3 -0.02 0.00 0.02 -0.04 2.03 1.99 2wvaV1 MET 475 HG2 -0.00 0.20 -0.04 -0.04 2.63 2.74 2wvaV1 MET 475 HG3 -0.03 -0.14 -0.12 -0.04 2.56 2.22 2wvaV1 MET 475 HE3 -0.02 -0.03 -0.11 -0.04 2.10 1.91 2wvaV1 ILE 476 H 0.04 0.16 -0.58 -0.55 8.25 7.32 2wvaV1 ILE 476 HA -0.03 0.20 0.77 -0.75 4.18 4.36 2wvaV1 ILE 476 HB 0.05 0.00 0.20 -0.04 1.89 2.11 2wvaV1 ILE 476 HG12 -0.13 0.04 0.05 -0.04 1.49 1.41 2wvaV1 ILE 476 HG13 0.05 0.13 -0.04 -0.04 1.21 1.31 2wvaV1 ILE 476 HG23 -0.00 -0.01 -0.10 -0.04 0.93 0.78 2wvaV1 ILE 476 HD13 0.05 -0.05 -0.07 -0.04 0.88 0.77 2wvaV1 HIS 477 H 0.11 0.57 0.11 -0.55 8.41 8.66 2wvaV1 HIS 477 HA 0.02 0.06 0.44 -0.75 4.63 4.39 2wvaV1 HIS 477 HB2 0.01 0.16 -0.07 -0.04 3.26 3.32 2wvaV1 HIS 477 HB3 0.05 -0.08 -0.00 -0.04 3.20 3.12 2wvaV1 HIS 477 HD2 0.17 -0.10 -0.18 -0.04 6.97 6.82 2wvaV1 HIS 477 HE1 0.03 -0.03 0.00 -0.04 7.75 7.71 2wvaV1 ASP 478 H -0.29 0.15 0.11 -0.55 8.40 7.82 2wvaV1 ASP 478 HA -0.07 0.05 0.54 -0.75 4.63 4.40 2wvaV1 ASP 478 HB2 -0.10 0.17 0.12 -0.04 2.71 2.87 2wvaV1 ASP 478 HB3 -0.16 -0.01 0.05 -0.04 2.70 2.55 2wvaV1 GLY 479 H -0.30 0.23 0.24 -0.55 8.43 8.06 2wvaV1 GLY 479 HA2 -0.37 0.15 0.41 -0.51 4.01 3.68 2wvaV1 GLY 479 HA3 -1.08 0.09 0.38 -0.51 4.01 2.88 2wvaV1 PRO 480 HA -0.21 0.09 0.43 -0.51 4.44 4.24 2wvaV1 PRO 480 HB2 -0.09 0.06 -0.02 -0.04 2.28 2.19 2wvaV1 PRO 480 HB3 -0.10 0.05 0.12 -0.04 2.02 2.05 2wvaV1 PRO 480 HG2 -0.08 0.08 0.09 -0.04 2.03 2.08 2wvaV1 PRO 480 HG3 -0.12 0.07 0.10 -0.04 2.03 2.04 2wvaV1 PRO 480 HD2 -0.45 0.12 0.20 -0.04 3.68 3.51 2wvaV1 PRO 480 HD3 -0.28 0.19 0.25 -0.04 3.65 3.76 2wvaV1 TYR 481 H -0.99 0.13 -0.34 -0.55 8.29 6.53 2wvaV1 TYR 481 HA 0.00 0.14 0.43 -0.75 4.56 4.38 2wvaV1 TYR 481 HB2 0.07 0.02 0.06 -0.04 3.06 3.18 2wvaV1 TYR 481 HB3 0.04 0.03 0.07 -0.04 2.98 3.07 2wvaV1 TYR 481 HD2 0.05 0.01 -0.16 -0.04 7.15 7.01 2wvaV1 TYR 481 HE2 0.05 0.14 -0.07 -0.04 6.85 6.93 2wvaV1 ASN 482 H -0.18 0.36 -0.50 -0.55 8.53 7.67 2wvaV1 ASN 482 HA 0.20 0.12 0.73 -0.75 4.76 5.05 2wvaV1 ASN 482 HB2 -0.09 0.17 0.11 -0.04 2.88 3.03 2wvaV1 ASN 482 HB3 0.01 -0.13 0.12 -0.04 2.79 2.75 2wvaV1 ASN 482 HD21 0.16 0.43 -0.19 -0.04 7.03 7.39 2wvaV1 ASN 482 HD22 -0.01 -0.09 0.03 -0.04 7.74 7.63 2wvaV1 ASN 483 H -0.17 0.41 -0.19 -0.55 8.53 8.03 2wvaV1 ASN 483 HA -0.37 0.05 0.78 -0.75 4.76 4.47 2wvaV1 ASN 483 HB2 -0.16 0.14 0.14 -0.04 2.88 2.96 2wvaV1 ASN 483 HB3 -0.25 0.02 0.05 -0.04 2.79 2.56 2wvaV1 ASN 483 HD21 -0.13 -0.03 0.01 -0.04 7.03 6.84 2wvaV1 ASN 483 HD22 -0.12 0.04 0.09 -0.04 7.74 7.71 2wvaV1 ILE 484 H -0.41 0.17 0.10 -0.55 8.25 7.56 2wvaV1 ILE 484 HA -0.14 0.27 0.87 -0.75 4.18 4.43 2wvaV1 ILE 484 HB -0.12 0.05 0.01 -0.04 1.89 1.79 2wvaV1 ILE 484 HG12 -0.25 -0.04 -0.17 -0.04 1.49 0.99 2wvaV1 ILE 484 HG13 -0.02 0.06 -0.56 -0.04 1.21 0.65 2wvaV1 ILE 484 HG23 -0.53 0.01 -0.25 -0.04 0.93 0.11 2wvaV1 ILE 484 HD13 -0.09 -0.04 -0.18 -0.04 0.88 0.53 2wvaV1 LYS 485 H 0.05 0.16 0.08 -0.55 8.42 8.16 2wvaV1 LYS 485 HA 0.17 0.10 0.70 -0.75 4.32 4.54 2wvaV1 LYS 485 HB2 0.14 0.03 0.07 -0.04 1.87 2.07 2wvaV1 LYS 485 HB3 0.24 -0.03 0.13 -0.04 1.79 2.08 2wvaV1 LYS 485 HG2 0.22 -0.02 -0.04 -0.04 1.46 1.57 2wvaV1 LYS 485 HG3 0.30 0.17 -0.30 -0.04 1.46 1.59 2wvaV1 LYS 485 HD2 0.14 -0.04 0.07 -0.04 1.69 1.82 2wvaV1 LYS 485 HD3 0.11 -0.01 0.01 -0.04 1.68 1.74 2wvaV1 LYS 485 HE2 0.07 -0.02 0.00 -0.04 2.99 3.00 2wvaV1 LYS 485 HE3 0.08 -0.02 -0.02 -0.04 2.99 2.99 2wvaV1 ASN 486 H 0.28 0.16 0.13 -0.55 8.53 8.56 2wvaV1 ASN 486 HA 0.16 -0.04 0.43 -0.75 4.76 4.54 2wvaV1 ASN 486 HB2 -0.03 0.02 0.11 -0.04 2.88 2.93 2wvaV1 ASN 486 HB3 0.01 0.02 0.07 -0.04 2.79 2.84 2wvaV1 ASN 486 HD21 0.09 -0.01 -0.05 -0.04 7.03 7.02 2wvaV1 ASN 486 HD22 -0.01 -0.01 -0.13 -0.04 7.74 7.54 2wvaV1 TRP 487 H -0.33 0.06 0.18 -0.55 7.97 7.33 2wvaV1 TRP 487 HA -0.21 0.28 0.86 -0.75 4.62 4.80 2wvaV1 TRP 487 HB2 -1.35 -0.10 -0.06 -0.04 3.23 1.68 2wvaV1 TRP 487 HB3 -0.35 0.01 -0.06 -0.04 3.23 2.78 2wvaV1 TRP 487 HD1 -0.06 0.16 -0.63 -0.04 7.22 6.64 2wvaV1 TRP 487 HE1 0.04 0.01 -0.07 -0.04 10.20 10.14 2wvaV1 TRP 487 HE3 0.20 -0.05 -0.10 -0.04 7.59 7.60 2wvaV1 TRP 487 HZ2 0.09 0.04 -0.00 -0.04 7.44 7.53 2wvaV1 TRP 487 HZ3 0.24 -0.02 -0.08 -0.04 7.13 7.22 2wvaV1 TRP 487 HH2 0.09 0.07 0.02 -0.04 7.19 7.34 2wvaV1 ASP 488 H -0.03 0.25 0.00 -0.55 8.40 8.08 2wvaV1 ASP 488 HA 0.03 0.15 0.76 -0.75 4.63 4.82 2wvaV1 ASP 488 HB2 0.01 0.10 0.08 -0.04 2.71 2.86 2wvaV1 ASP 488 HB3 -0.03 0.06 0.16 -0.04 2.70 2.85 2wvaV1 TYR 489 H -0.03 0.36 -0.20 -0.55 8.29 7.88 2wvaV1 TYR 489 HA 0.22 0.08 0.17 -0.75 4.56 4.27 2wvaV1 TYR 489 HB2 -0.10 -0.00 0.04 -0.04 3.06 2.96 2wvaV1 TYR 489 HB3 -0.17 0.06 -0.05 -0.04 2.98 2.77 2wvaV1 TYR 489 HD2 0.08 0.04 -0.00 -0.04 7.15 7.23 2wvaV1 TYR 489 HE2 -0.28 0.03 0.02 -0.04 6.85 6.58 2wvaV1 ALA 490 H 0.14 0.09 -0.19 -0.55 8.40 7.89 2wvaV1 ALA 490 HA 0.06 0.12 0.41 -0.75 4.34 4.18 2wvaV1 ALA 490 HB3 0.08 0.04 -0.18 -0.04 1.41 1.31 2wvaV1 GLY 491 H 0.05 0.14 -0.37 -0.55 8.43 7.70 2wvaV1 GLY 491 HA2 -0.00 0.08 0.34 -0.51 4.01 3.91 2wvaV1 GLY 491 HA3 -0.01 0.05 0.26 -0.51 4.01 3.80 2wvaV1 LEU 492 H 0.02 0.34 -0.49 -0.55 8.37 7.70 2wvaV1 LEU 492 HA -0.24 0.02 0.36 -0.75 4.35 3.74 2wvaV1 LEU 492 HB2 0.09 -0.07 0.04 -0.04 1.64 1.66 2wvaV1 LEU 492 HB3 0.13 0.18 0.04 -0.04 1.64 1.95 2wvaV1 LEU 492 HG -0.64 0.01 -0.11 -0.04 1.64 0.87 2wvaV1 LEU 492 HD13 -0.41 -0.01 -0.02 -0.04 0.93 0.45 2wvaV1 LEU 492 HD23 0.68 -0.02 -0.09 -0.04 0.89 1.42 2wvaV1 MET 493 H 0.01 0.42 -0.38 -0.55 8.47 7.97 2wvaV1 MET 493 HA 0.10 0.04 0.27 -0.75 4.52 4.18 2wvaV1 MET 493 HB2 0.03 0.15 0.03 -0.04 2.15 2.33 2wvaV1 MET 493 HB3 0.06 0.06 -0.38 -0.04 2.03 1.73 2wvaV1 MET 493 HG2 0.08 -0.04 -0.03 -0.04 2.63 2.60 2wvaV1 MET 493 HG3 0.05 0.21 -0.77 -0.04 2.56 2.02 2wvaV1 MET 493 HE3 0.30 -0.02 -0.15 -0.04 2.10 2.19 2wvaV1 GLU 494 H -0.02 0.22 -0.14 -0.55 8.60 8.12 2wvaV1 GLU 494 HA 0.02 0.10 0.43 -0.75 4.29 4.08 2wvaV1 GLU 494 HB2 -0.02 0.05 0.09 -0.04 2.09 2.17 2wvaV1 GLU 494 HB3 -0.01 0.01 0.07 -0.04 1.99 2.02 2wvaV1 GLU 494 HG2 0.01 -0.04 0.03 -0.04 2.34 2.29 2wvaV1 GLU 494 HG3 0.00 0.01 0.04 -0.04 2.34 2.35 2wvaV1 VAL 495 H -0.13 0.23 -0.47 -0.55 8.24 7.32 2wvaV1 VAL 495 HA -0.06 0.07 0.55 -0.75 4.13 3.93 2wvaV1 VAL 495 HB -0.42 0.17 0.14 -0.04 2.12 1.97 2wvaV1 VAL 495 HG13 -0.16 -0.01 -0.17 -0.04 0.97 0.59 2wvaV1 VAL 495 HG23 -0.14 0.01 -0.01 -0.04 0.95 0.76 2wvaV1 PHE 496 H -0.14 0.41 -0.09 -0.55 8.34 7.97 2wvaV1 PHE 496 HA 0.02 0.04 0.42 -0.75 4.62 4.34 2wvaV1 PHE 496 HB2 0.05 0.09 0.05 -0.04 3.15 3.29 2wvaV1 PHE 496 HB3 0.03 -0.03 0.04 -0.04 3.06 3.06 2wvaV1 PHE 496 HD2 0.06 0.05 -0.14 -0.04 7.28 7.21 2wvaV1 PHE 496 HE2 0.09 -0.01 -0.09 -0.04 7.38 7.33 2wvaV1 PHE 496 HZ 0.05 -0.11 -0.20 -0.04 7.32 7.03 2wvaV1 ASN 497 H 0.11 0.36 -0.26 -0.55 8.53 8.20 2wvaV1 ASN 497 HA 0.09 0.04 0.43 -0.75 4.76 4.56 2wvaV1 ASN 497 HB2 0.05 0.00 0.14 -0.04 2.88 3.03 2wvaV1 ASN 497 HB3 0.05 -0.05 -0.04 -0.04 2.79 2.70 2wvaV1 ASN 497 HD21 0.05 0.45 -0.10 -0.04 7.03 7.39 2wvaV1 ASN 497 HD22 0.04 -0.10 -0.08 -0.04 7.74 7.55 2wvaV1 GLY 498 H 0.05 0.41 -0.22 -0.55 8.43 8.13 2wvaV1 GLY 498 HA2 0.03 0.04 0.25 -0.51 4.01 3.82 2wvaV1 GLY 498 HA3 0.06 0.01 0.24 -0.51 4.01 3.81 2wvaV1 ASN 499 H 0.02 0.05 -0.17 -0.55 8.53 7.89 2wvaV1 ASN 499 HA 0.02 0.14 0.46 -0.75 4.76 4.62 2wvaV1 ASN 499 HB2 0.01 -0.04 0.12 -0.04 2.88 2.92 2wvaV1 ASN 499 HB3 0.01 0.02 0.03 -0.04 2.79 2.80 2wvaV1 ASN 499 HD21 0.03 0.26 0.11 -0.04 7.03 7.39 2wvaV1 ASN 499 HD22 0.02 -0.07 0.05 -0.04 7.74 7.70 2wvaV1 GLY 500 H 0.00 0.23 0.24 -0.55 8.43 8.36 2wvaV1 GLY 500 HA2 -0.02 -0.01 0.38 -0.51 4.01 3.85 2wvaV1 GLY 500 HA3 -0.02 0.07 0.72 -0.51 4.01 4.27 2wvaV1 GLY 501 H -0.01 0.42 -0.08 -0.55 8.43 8.21 2wvaV1 GLY 501 HA2 -0.15 0.11 0.79 -0.51 4.01 4.25 2wvaV1 GLY 501 HA3 -0.04 -0.03 0.37 -0.51 4.01 3.80 2wvaV1 TYR 502 H 0.04 0.06 0.15 -0.55 8.29 7.99 2wvaV1 TYR 502 HA 0.01 0.07 0.40 -0.75 4.56 4.28 2wvaV1 TYR 502 HB2 0.01 -0.03 0.13 -0.04 3.06 3.13 2wvaV1 TYR 502 HB3 0.01 0.02 0.03 -0.04 2.98 2.99 2wvaV1 TYR 502 HD2 0.01 0.02 0.06 -0.04 7.15 7.20 2wvaV1 TYR 502 HE2 0.00 -0.01 0.02 -0.04 6.85 6.81 2wvaV1 ASP 503 H 0.12 0.03 -0.13 -0.55 8.40 7.87 2wvaV1 ASP 503 HA 0.06 0.20 0.75 -0.75 4.63 4.89 2wvaV1 ASP 503 HB2 0.05 -0.05 0.26 -0.04 2.71 2.94 2wvaV1 ASP 503 HB3 0.07 0.00 0.03 -0.04 2.70 2.76 2wvaV1 SER 504 H 0.05 0.28 0.21 -0.55 8.46 8.46 2wvaV1 SER 504 HA 0.04 0.14 0.44 -0.75 4.49 4.36 2wvaV1 SER 504 HB2 0.03 -0.06 0.13 -0.04 3.95 4.01 2wvaV1 SER 504 HB3 0.03 0.06 -0.17 -0.04 3.93 3.81 2wvaV1 GLY 505 H 0.04 0.21 0.21 -0.55 8.43 8.34 2wvaV1 GLY 505 HA2 0.05 0.24 0.67 -0.51 4.01 4.46 2wvaV1 GLY 505 HA3 0.06 -0.00 0.34 -0.51 4.01 3.90 2wvaV1 ALA 506 H 0.05 0.27 0.12 -0.55 8.40 8.29 2wvaV1 ALA 506 HA 0.03 0.18 0.90 -0.75 4.34 4.69 2wvaV1 ALA 506 HB3 0.03 0.06 -0.07 -0.04 1.41 1.39 2wvaV1 GLY 507 H 0.06 -0.03 -0.07 -0.55 8.43 7.85 2wvaV1 GLY 507 HA2 0.05 0.39 0.54 -0.51 4.01 4.48 2wvaV1 GLY 507 HA3 0.08 -0.10 0.27 -0.51 4.01 3.75 2wvaV1 LYS 508 H 0.04 0.57 0.34 -0.55 8.42 8.81 2wvaV1 LYS 508 HA 0.03 0.11 0.83 -0.75 4.32 4.54 2wvaV1 LYS 508 HB2 0.01 0.06 0.05 -0.04 1.87 1.95 2wvaV1 LYS 508 HB3 0.01 -0.06 -0.08 -0.04 1.79 1.62 2wvaV1 LYS 508 HG2 0.02 -0.02 -0.05 -0.04 1.46 1.37 2wvaV1 LYS 508 HG3 0.02 0.14 -0.37 -0.04 1.46 1.21 2wvaV1 LYS 508 HD2 0.01 0.03 -0.12 -0.04 1.69 1.57 2wvaV1 LYS 508 HD3 0.01 -0.08 -0.07 -0.04 1.68 1.50 2wvaV1 LYS 508 HE2 0.02 0.08 -0.09 -0.04 2.99 2.96 2wvaV1 LYS 508 HE3 0.01 0.02 -0.07 -0.04 2.99 2.91 2wvaV1 GLY 509 H 0.02 0.22 0.16 -0.55 8.43 8.28 2wvaV1 GLY 509 HA2 0.02 0.26 1.12 -0.51 4.01 4.89 2wvaV1 GLY 509 HA3 0.03 0.18 0.49 -0.51 4.01 4.20 2wvaV1 LEU 510 H 0.02 0.71 0.44 -0.55 8.37 8.99 2wvaV1 LEU 510 HA 0.04 0.16 0.95 -0.75 4.35 4.74 2wvaV1 LEU 510 HB2 0.02 -0.02 -0.01 -0.04 1.64 1.59 2wvaV1 LEU 510 HB3 0.03 0.02 0.07 -0.04 1.64 1.72 2wvaV1 LEU 510 HG 0.01 -0.11 -0.59 -0.04 1.64 0.92 2wvaV1 LEU 510 HD13 0.00 0.01 -0.11 -0.04 0.93 0.79 2wvaV1 LEU 510 HD23 0.02 0.04 -0.06 -0.04 0.89 0.85 2wvaV1 LYS 511 H 0.07 0.23 0.21 -0.55 8.42 8.38 2wvaV1 LYS 511 HA 0.20 0.22 1.10 -0.75 4.32 5.09 2wvaV1 LYS 511 HB2 0.09 0.01 0.08 -0.04 1.87 2.01 2wvaV1 LYS 511 HB3 0.34 0.03 0.07 -0.04 1.79 2.18 2wvaV1 LYS 511 HG2 0.19 -0.05 -0.20 -0.04 1.46 1.36 2wvaV1 LYS 511 HG3 0.10 0.04 -0.06 -0.04 1.46 1.50 2wvaV1 LYS 511 HD2 0.07 0.05 -0.02 -0.04 1.69 1.75 2wvaV1 LYS 511 HD3 0.37 0.01 -0.01 -0.04 1.68 2.02 2wvaV1 LYS 511 HE2 0.14 -0.12 -0.08 -0.04 2.99 2.88 2wvaV1 LYS 511 HE3 0.08 0.08 -0.04 -0.04 2.99 3.07 2wvaV1 ALA 512 H 0.28 0.78 0.27 -0.55 8.40 9.19 2wvaV1 ALA 512 HA 0.09 0.07 0.81 -0.75 4.34 4.56 2wvaV1 ALA 512 HB3 0.11 0.03 -0.14 -0.04 1.41 1.37 2wvaV1 LYS 513 H 0.05 0.13 0.17 -0.55 8.42 8.22 2wvaV1 LYS 513 HA 0.12 0.22 1.03 -0.75 4.32 4.93 2wvaV1 LYS 513 HB2 -0.06 0.03 0.06 -0.04 1.87 1.86 2wvaV1 LYS 513 HB3 -0.08 0.04 0.18 -0.04 1.79 1.89 2wvaV1 LYS 513 HG2 -0.51 0.04 -0.04 -0.04 1.46 0.91 2wvaV1 LYS 513 HG3 -0.18 -0.08 -0.22 -0.04 1.46 0.93 2wvaV1 LYS 513 HD2 -0.23 0.03 -0.02 -0.04 1.69 1.43 2wvaV1 LYS 513 HD3 -0.33 0.03 0.01 -0.04 1.68 1.35 2wvaV1 LYS 513 HE2 -1.61 -0.01 -0.02 -0.04 2.99 1.31 2wvaV1 LYS 513 HE3 -0.62 -0.03 -0.05 -0.04 2.99 2.25 2wvaV1 THR 514 H 0.05 0.03 0.18 -0.55 8.28 7.99 2wvaV1 THR 514 HA 0.03 0.26 0.70 -0.75 4.39 4.63 2wvaV1 THR 514 HB 0.01 0.29 0.06 -0.04 4.32 4.65 2wvaV1 THR 514 HG23 0.00 -0.00 -0.30 -0.04 1.22 0.88 2wvaV1 GLY 515 H 0.02 0.45 0.07 -0.55 8.43 8.43 2wvaV1 GLY 515 HA2 0.03 0.02 0.35 -0.51 4.01 3.90 2wvaV1 GLY 515 HA3 0.02 0.12 0.27 -0.51 4.01 3.91 2wvaV1 GLY 516 H 0.02 0.74 0.04 -0.55 8.43 8.68 2wvaV1 GLY 516 HA2 0.02 0.09 0.43 -0.51 4.01 4.04 2wvaV1 GLY 516 HA3 0.02 0.09 0.26 -0.51 4.01 3.86 2wvaV1 GLU 517 H 0.03 0.10 -0.17 -0.55 8.60 8.01 2wvaV1 GLU 517 HA 0.03 0.12 0.54 -0.75 4.29 4.23 2wvaV1 GLU 517 HB2 0.04 -0.22 0.26 -0.04 2.09 2.14 2wvaV1 GLU 517 HB3 0.05 0.19 0.20 -0.04 1.99 2.38 2wvaV1 GLU 517 HG2 0.02 0.10 0.07 -0.04 2.34 2.49 2wvaV1 GLU 517 HG3 0.01 0.00 0.05 -0.04 2.34 2.37 2wvaV1 LEU 518 H 0.05 0.46 -0.17 -0.55 8.37 8.16 2wvaV1 LEU 518 HA 0.09 0.02 0.38 -0.75 4.35 4.10 2wvaV1 LEU 518 HB2 0.08 -0.07 0.00 -0.04 1.64 1.61 2wvaV1 LEU 518 HB3 0.06 0.16 0.12 -0.04 1.64 1.93 2wvaV1 LEU 518 HG 0.10 0.07 -0.27 -0.04 1.64 1.51 2wvaV1 LEU 518 HD13 0.23 -0.01 -0.06 -0.04 0.93 1.04 2wvaV1 LEU 518 HD23 0.02 -0.00 -0.09 -0.04 0.89 0.78 2wvaV1 ALA 519 H 0.05 0.52 -0.08 -0.55 8.40 8.34 2wvaV1 ALA 519 HA 0.06 0.06 0.36 -0.75 4.34 4.07 2wvaV1 ALA 519 HB3 0.03 0.03 0.10 -0.04 1.41 1.52 2wvaV1 GLU 520 H 0.04 0.42 -0.20 -0.55 8.60 8.31 2wvaV1 GLU 520 HA 0.03 0.06 0.48 -0.75 4.29 4.10 2wvaV1 GLU 520 HB2 0.03 0.05 0.16 -0.04 2.09 2.28 2wvaV1 GLU 520 HB3 0.02 -0.02 0.02 -0.04 1.99 1.97 2wvaV1 GLU 520 HG2 0.02 0.17 0.09 -0.04 2.34 2.58 2wvaV1 GLU 520 HG3 0.02 -0.05 0.02 -0.04 2.34 2.29 2wvaV1 ALA 521 H 0.05 0.50 -0.21 -0.55 8.40 8.19 2wvaV1 ALA 521 HA 0.03 -0.01 0.39 -0.75 4.34 4.00 2wvaV1 ALA 521 HB3 0.05 0.01 0.03 -0.04 1.41 1.46 2wvaV1 ILE 522 H 0.08 0.61 -0.16 -0.55 8.25 8.22 2wvaV1 ILE 522 HA 0.06 0.00 0.35 -0.75 4.18 3.83 2wvaV1 ILE 522 HB 0.09 0.11 0.10 -0.04 1.89 2.15 2wvaV1 ILE 522 HG12 0.36 -0.03 -0.06 -0.04 1.49 1.72 2wvaV1 ILE 522 HG13 0.21 0.08 -0.01 -0.04 1.21 1.45 2wvaV1 ILE 522 HG23 0.11 0.01 -0.14 -0.04 0.93 0.87 2wvaV1 ILE 522 HD13 0.15 -0.01 -0.16 -0.04 0.88 0.81 2wvaV1 LYS 523 H 0.04 0.38 -0.26 -0.55 8.42 8.02 2wvaV1 LYS 523 HA 0.03 0.06 0.47 -0.75 4.32 4.13 2wvaV1 LYS 523 HB2 0.03 0.13 0.18 -0.04 1.87 2.17 2wvaV1 LYS 523 HB3 0.02 -0.04 -0.02 -0.04 1.79 1.72 2wvaV1 LYS 523 HG2 0.03 -0.01 0.03 -0.04 1.46 1.47 2wvaV1 LYS 523 HG3 0.03 0.16 0.08 -0.04 1.46 1.69 2wvaV1 LYS 523 HD2 0.02 -0.03 0.02 -0.04 1.69 1.66 2wvaV1 LYS 523 HD3 0.02 -0.01 -0.00 -0.04 1.68 1.64 2wvaV1 LYS 523 HE2 0.02 0.00 -0.03 -0.04 2.99 2.94 2wvaV1 LYS 523 HE3 0.03 0.04 -0.09 -0.04 2.99 2.92 2wvaV1 VAL 524 H 0.02 0.44 -0.11 -0.55 8.24 8.03 2wvaV1 VAL 524 HA 0.01 0.01 0.41 -0.75 4.13 3.81 2wvaV1 VAL 524 HB 0.01 0.12 0.11 -0.04 2.12 2.33 2wvaV1 VAL 524 HG13 0.01 -0.01 -0.15 -0.04 0.97 0.78 2wvaV1 VAL 524 HG23 0.02 0.02 0.02 -0.04 0.95 0.97 2wvaV1 ALA 525 H 0.01 0.42 -0.27 -0.55 8.40 8.01 2wvaV1 ALA 525 HA -0.01 0.02 0.40 -0.75 4.34 3.99 2wvaV1 ALA 525 HB3 -0.05 0.01 0.06 -0.04 1.41 1.38 2wvaV1 LEU 526 H 0.02 0.43 -0.14 -0.55 8.37 8.14 2wvaV1 LEU 526 HA 0.02 0.10 0.38 -0.75 4.35 4.09 2wvaV1 LEU 526 HB2 0.03 0.05 0.15 -0.04 1.64 1.82 2wvaV1 LEU 526 HB3 0.02 -0.04 0.02 -0.04 1.64 1.60 2wvaV1 LEU 526 HG 0.04 0.04 0.06 -0.04 1.64 1.74 2wvaV1 LEU 526 HD13 0.04 -0.03 -0.04 -0.04 0.93 0.86 2wvaV1 LEU 526 HD23 0.04 0.01 0.01 -0.04 0.89 0.90 2wvaV1 ALA 527 H 0.02 0.32 -0.32 -0.55 8.40 7.87 2wvaV1 ALA 527 HA 0.02 0.07 0.56 -0.75 4.34 4.22 2wvaV1 ALA 527 HB3 0.01 -0.03 0.08 -0.04 1.41 1.43 2wvaV1 ASN 528 H 0.01 0.35 -0.52 -0.55 8.53 7.83 2wvaV1 ASN 528 HA 0.02 -0.04 0.73 -0.75 4.76 4.71 2wvaV1 ASN 528 HB2 0.01 0.01 0.08 -0.04 2.88 2.94 2wvaV1 ASN 528 HB3 0.01 0.15 0.22 -0.04 2.79 3.13 2wvaV1 ASN 528 HD21 0.03 0.17 -0.10 -0.04 7.03 7.09 2wvaV1 ASN 528 HD22 0.01 -0.12 -0.15 -0.04 7.74 7.44 2wvaV1 THR 529 H 0.02 0.17 0.16 -0.55 8.28 8.08 2wvaV1 THR 529 HA 0.02 0.26 0.63 -0.75 4.39 4.56 2wvaV1 THR 529 HB 0.02 0.03 0.15 -0.04 4.32 4.48 2wvaV1 THR 529 HG23 0.02 0.04 -0.09 -0.04 1.22 1.15 2wvaV1 ASP 530 H 0.02 0.03 -0.21 -0.55 8.40 7.70 2wvaV1 ASP 530 HA 0.03 0.28 0.73 -0.75 4.63 4.91 2wvaV1 ASP 530 HB2 0.03 -0.01 0.04 -0.04 2.71 2.72 2wvaV1 ASP 530 HB3 0.03 -0.05 0.07 -0.04 2.70 2.71 2wvaV1 GLY 531 H 0.03 0.31 -0.26 -0.55 8.43 7.97 2wvaV1 GLY 531 HA2 0.05 0.07 0.13 -0.51 4.01 3.75 2wvaV1 GLY 531 HA3 0.05 -0.11 -0.04 -0.51 4.01 3.40 2wvaV1 PRO 532 HA 0.03 0.23 0.53 -0.51 4.44 4.73 2wvaV1 PRO 532 HB2 0.06 -0.11 -0.04 -0.04 2.28 2.15 2wvaV1 PRO 532 HB3 0.07 0.00 0.13 -0.04 2.02 2.18 2wvaV1 PRO 532 HG2 0.08 -0.13 0.04 -0.04 2.03 1.98 2wvaV1 PRO 532 HG3 0.08 -0.03 -0.01 -0.04 2.03 2.03 2wvaV1 PRO 532 HD2 0.06 -0.03 0.07 -0.04 3.68 3.74 2wvaV1 PRO 532 HD3 0.07 0.29 -0.14 -0.04 3.65 3.83 2wvaV1 THR 533 H -0.02 0.65 0.33 -0.55 8.28 8.70 2wvaV1 THR 533 HA 0.00 0.14 1.05 -0.75 4.39 4.82 2wvaV1 THR 533 HB -0.07 -0.04 0.20 -0.04 4.32 4.37 2wvaV1 THR 533 HG23 -0.04 -0.05 -0.22 -0.04 1.22 0.86 2wvaV1 LEU 534 H -0.00 0.69 0.35 -0.55 8.37 8.87 2wvaV1 LEU 534 HA -0.11 0.19 1.04 -0.75 4.35 4.72 2wvaV1 LEU 534 HB2 0.03 0.03 0.03 -0.04 1.64 1.68 2wvaV1 LEU 534 HB3 0.01 -0.04 0.22 -0.04 1.64 1.79 2wvaV1 LEU 534 HG -0.17 0.03 -0.06 -0.04 1.64 1.40 2wvaV1 LEU 534 HD13 -0.20 -0.00 -0.10 -0.04 0.93 0.58 2wvaV1 LEU 534 HD23 -0.08 -0.03 -0.40 -0.04 0.89 0.33 2wvaV1 ILE 535 H -0.19 0.90 0.38 -0.55 8.25 8.78 2wvaV1 ILE 535 HA -0.03 0.17 1.00 -0.75 4.18 4.57 2wvaV1 ILE 535 HB -0.16 -0.01 0.17 -0.04 1.89 1.85 2wvaV1 ILE 535 HG12 -0.06 0.00 -0.23 -0.04 1.49 1.16 2wvaV1 ILE 535 HG13 -0.22 0.06 -0.31 -0.04 1.21 0.70 2wvaV1 ILE 535 HG23 0.08 -0.02 -0.25 -0.04 0.93 0.69 2wvaV1 ILE 535 HD13 -0.19 0.02 -0.24 -0.04 0.88 0.43 2wvaV1 GLU 536 H 0.02 0.85 0.33 -0.55 8.60 9.25 2wvaV1 GLU 536 HA -0.14 0.12 0.72 -0.75 4.29 4.23 2wvaV1 GLU 536 HB2 0.01 -0.07 0.08 -0.04 2.09 2.07 2wvaV1 GLU 536 HB3 0.09 -0.00 0.28 -0.04 1.99 2.32 2wvaV1 GLU 536 HG2 -0.65 0.08 -0.17 -0.04 2.34 1.56 2wvaV1 GLU 536 HG3 -0.18 -0.02 0.02 -0.04 2.34 2.12 2wvaV1 CYS 537 H -0.11 0.71 0.45 -0.55 8.50 9.00 2wvaV1 CYS 537 HA 0.12 0.25 0.87 -0.75 4.58 5.05 2wvaV1 CYS 537 HB2 0.00 -0.12 0.08 -0.04 2.97 2.89 2wvaV1 CYS 537 HB3 0.06 0.00 -0.07 -0.04 2.97 2.92 2wvaV1 PHE 538 H 0.34 0.57 0.36 -0.55 8.34 9.06 2wvaV1 PHE 538 HA 0.03 0.26 0.94 -0.75 4.62 5.09 2wvaV1 PHE 538 HB2 0.02 -0.01 0.28 -0.04 3.15 3.40 2wvaV1 PHE 538 HB3 0.02 0.02 0.04 -0.04 3.06 3.10 2wvaV1 PHE 538 HD2 0.02 0.11 0.01 -0.04 7.28 7.38 2wvaV1 PHE 538 HE2 0.03 -0.02 0.01 -0.04 7.38 7.36 2wvaV1 PHE 538 HZ 0.05 -0.06 -0.01 -0.04 7.32 7.26 2wvaV1 ILE 539 H 0.06 0.48 0.25 -0.55 8.25 8.49 2wvaV1 ILE 539 HA 0.08 0.25 0.75 -0.75 4.18 4.50 2wvaV1 ILE 539 HB 0.04 -0.08 0.14 -0.04 1.89 1.95 2wvaV1 ILE 539 HG12 0.01 -0.06 -0.23 -0.04 1.49 1.18 2wvaV1 ILE 539 HG13 0.03 0.10 -0.25 -0.04 1.21 1.05 2wvaV1 ILE 539 HG23 0.04 0.03 -0.53 -0.04 0.93 0.43 2wvaV1 ILE 539 HD13 0.01 0.01 -0.06 -0.04 0.88 0.80 2wvaV1 GLY 540 H 0.05 0.12 0.17 -0.55 8.43 8.21 2wvaV1 GLY 540 HA2 0.06 0.13 0.61 -0.51 4.01 4.31 2wvaV1 GLY 540 HA3 0.04 0.00 0.33 -0.51 4.01 3.87 2wvaV1 ARG 541 H 0.05 0.17 0.18 -0.55 8.46 8.30 2wvaV1 ARG 541 HA 0.02 0.08 0.34 -0.75 4.34 4.02 2wvaV1 ARG 541 HB2 0.01 0.20 0.13 -0.04 1.90 2.20 2wvaV1 ARG 541 HB3 0.01 -0.06 0.17 -0.04 1.80 1.89 2wvaV1 ARG 541 HG2 -0.01 0.02 -0.27 -0.04 1.67 1.36 2wvaV1 ARG 541 HG3 -0.01 -0.10 -0.07 -0.04 1.67 1.45 2wvaV1 ARG 541 HD2 -0.03 0.01 -0.02 -0.04 3.22 3.14 2wvaV1 ARG 541 HD3 -0.04 -0.01 -0.08 -0.04 3.22 3.05 2wvaV1 GLU 542 H 0.01 0.06 -0.11 -0.55 8.60 8.01 2wvaV1 GLU 542 HA -0.01 0.15 0.37 -0.75 4.29 4.05 2wvaV1 GLU 542 HB2 0.00 -0.04 0.03 -0.04 2.09 2.05 2wvaV1 GLU 542 HB3 -0.01 0.04 0.05 -0.04 1.99 2.04 2wvaV1 GLU 542 HG2 -0.01 0.06 0.00 -0.04 2.34 2.35 2wvaV1 GLU 542 HG3 -0.01 0.05 -0.03 -0.04 2.34 2.31 2wvaV1 ASP 543 H 0.01 0.19 -0.63 -0.55 8.40 7.42 2wvaV1 ASP 543 HA 0.00 0.14 0.62 -0.75 4.63 4.63 2wvaV1 ASP 543 HB2 0.01 -0.02 0.10 -0.04 2.71 2.76 2wvaV1 ASP 543 HB3 0.02 0.12 0.22 -0.04 2.70 3.01 2wvaV1 CYS 544 H -0.01 0.49 0.12 -0.55 8.50 8.55 2wvaV1 CYS 544 HA 0.00 0.07 0.74 -0.75 4.58 4.63 2wvaV1 CYS 544 HB2 -0.03 -0.20 0.11 -0.04 2.97 2.82 2wvaV1 CYS 544 HB3 -0.01 0.07 -0.15 -0.04 2.97 2.83 2wvaV1 THR 545 H -0.02 0.04 0.12 -0.55 8.28 7.87 2wvaV1 THR 545 HA -0.02 0.15 0.45 -0.75 4.39 4.22 2wvaV1 THR 545 HB -0.01 0.03 0.10 -0.04 4.32 4.41 2wvaV1 THR 545 HG23 0.08 0.04 -0.06 -0.04 1.22 1.23 2wvaV1 GLU 546 H -0.04 0.22 0.20 -0.55 8.60 8.44 2wvaV1 GLU 546 HA -0.06 0.14 0.56 -0.75 4.29 4.17 2wvaV1 GLU 546 HB2 -0.04 0.03 0.11 -0.04 2.09 2.15 2wvaV1 GLU 546 HB3 -0.04 0.07 0.07 -0.04 1.99 2.05 2wvaV1 GLU 546 HG2 -0.03 0.04 0.08 -0.04 2.34 2.39 2wvaV1 GLU 546 HG3 -0.03 -0.07 0.14 -0.04 2.34 2.34 2wvaV1 GLU 547 H -0.09 0.06 -0.13 -0.55 8.60 7.89 2wvaV1 GLU 547 HA -0.13 0.17 0.35 -0.75 4.29 3.93 2wvaV1 GLU 547 HB2 -0.06 -0.13 0.06 -0.04 2.09 1.92 2wvaV1 GLU 547 HB3 -0.08 0.06 -0.01 -0.04 1.99 1.92 2wvaV1 GLU 547 HG2 0.11 0.21 0.03 -0.04 2.34 2.66 2wvaV1 GLU 547 HG3 -0.00 0.05 0.04 -0.04 2.34 2.39 2wvaV1 LEU 548 H -0.52 0.03 -0.28 -0.55 8.37 7.06 2wvaV1 LEU 548 HA -1.29 0.06 0.35 -0.75 4.35 2.71 2wvaV1 LEU 548 HB2 -0.76 -0.09 0.08 -0.04 1.64 0.82 2wvaV1 LEU 548 HB3 -0.31 0.11 0.06 -0.04 1.64 1.46 2wvaV1 LEU 548 HG -0.11 0.15 -0.36 -0.04 1.64 1.29 2wvaV1 LEU 548 HD13 0.08 -0.00 -0.01 -0.04 0.93 0.96 2wvaV1 LEU 548 HD23 -0.03 -0.04 -0.12 -0.04 0.89 0.66 2wvaV1 VAL 549 H -0.18 0.27 -0.31 -0.55 8.24 7.47 2wvaV1 VAL 549 HA -0.07 0.07 0.40 -0.75 4.13 3.78 2wvaV1 VAL 549 HB -0.07 0.12 0.14 -0.04 2.12 2.26 2wvaV1 VAL 549 HG13 -0.04 0.01 -0.06 -0.04 0.97 0.83 2wvaV1 VAL 549 HG23 -0.07 0.03 0.02 -0.04 0.95 0.89 2wvaV1 LYS 550 H -0.10 0.46 -0.05 -0.55 8.42 8.18 2wvaV1 LYS 550 HA -0.05 0.06 0.50 -0.75 4.32 4.07 2wvaV1 LYS 550 HB2 -0.07 0.02 0.13 -0.04 1.87 1.91 2wvaV1 LYS 550 HB3 -0.04 -0.01 -0.04 -0.04 1.79 1.65 2wvaV1 LYS 550 HG2 -0.04 -0.02 0.04 -0.04 1.46 1.40 2wvaV1 LYS 550 HG3 -0.05 0.09 0.07 -0.04 1.46 1.52 2wvaV1 LYS 550 HD2 -0.03 0.04 -0.02 -0.04 1.69 1.64 2wvaV1 LYS 550 HD3 -0.02 0.01 0.01 -0.04 1.68 1.63 2wvaV1 LYS 550 HE2 -0.02 -0.03 0.01 -0.04 2.99 2.91 2wvaV1 LYS 550 HE3 -0.03 -0.08 -0.05 -0.04 2.99 2.78 2wvaV1 TRP 551 H -0.01 0.69 -0.02 -0.55 7.97 8.08 2wvaV1 TRP 551 HA -0.21 0.01 0.41 -0.75 4.62 4.08 2wvaV1 TRP 551 HB2 -0.43 0.01 0.09 -0.04 3.23 2.85 2wvaV1 TRP 551 HB3 -0.38 0.02 0.13 -0.04 3.23 2.96 2wvaV1 TRP 551 HD1 -0.53 0.01 0.04 -0.04 7.22 6.69 2wvaV1 TRP 551 HE1 0.17 0.30 0.17 -0.04 10.20 10.79 2wvaV1 TRP 551 HE3 -0.07 0.10 -0.09 -0.04 7.59 7.50 2wvaV1 TRP 551 HZ2 -1.06 -0.05 0.02 -0.04 7.44 6.31 2wvaV1 TRP 551 HZ3 -0.02 -0.04 -0.07 -0.04 7.13 6.96 2wvaV1 TRP 551 HH2 -0.67 -0.01 -0.04 -0.04 7.19 6.43 2wvaV1 GLY 552 H 0.07 0.72 -0.12 -0.55 8.43 8.55 2wvaV1 GLY 552 HA2 -0.33 -0.13 0.35 -0.51 4.01 3.39 2wvaV1 GLY 552 HA3 -0.04 0.20 0.26 -0.51 4.01 3.91 2wvaV1 LYS 553 H -0.11 0.41 -0.21 -0.55 8.42 7.96 2wvaV1 LYS 553 HA -0.08 0.09 0.51 -0.75 4.32 4.09 2wvaV1 LYS 553 HB2 -0.07 0.13 0.19 -0.04 1.87 2.08 2wvaV1 LYS 553 HB3 -0.06 -0.06 0.03 -0.04 1.79 1.67 2wvaV1 LYS 553 HG2 -0.04 -0.04 0.08 -0.04 1.46 1.42 2wvaV1 LYS 553 HG3 -0.05 0.12 0.13 -0.04 1.46 1.61 2wvaV1 LYS 553 HD2 -0.04 0.02 0.04 -0.04 1.69 1.67 2wvaV1 LYS 553 HD3 -0.03 -0.04 0.03 -0.04 1.68 1.59 2wvaV1 LYS 553 HE2 -0.02 -0.03 0.01 -0.04 2.99 2.90 2wvaV1 LYS 553 HE3 -0.03 0.03 0.01 -0.04 2.99 2.96 2wvaV1 ARG 554 H -0.20 0.35 -0.14 -0.55 8.46 7.92 2wvaV1 ARG 554 HA -0.11 0.06 0.48 -0.75 4.34 4.01 2wvaV1 ARG 554 HB2 -0.30 0.03 0.07 -0.04 1.90 1.66 2wvaV1 ARG 554 HB3 -0.14 0.12 -0.05 -0.04 1.80 1.69 2wvaV1 ARG 554 HG2 -0.10 0.15 0.10 -0.04 1.67 1.77 2wvaV1 ARG 554 HG3 -0.07 -0.06 0.04 -0.04 1.67 1.54 2wvaV1 ARG 554 HD2 -0.03 0.06 0.05 -0.04 3.22 3.25 2wvaV1 ARG 554 HD3 -0.06 -0.04 -0.02 -0.04 3.22 3.07 2wvaV1 VAL 555 H -0.56 0.54 -0.07 -0.55 8.24 7.60 2wvaV1 VAL 555 HA -0.32 -0.03 0.47 -0.75 4.13 3.50 2wvaV1 VAL 555 HB -0.87 0.15 0.16 -0.04 2.12 1.52 2wvaV1 VAL 555 HG13 -0.23 -0.02 -0.16 -0.04 0.97 0.52 2wvaV1 VAL 555 HG23 -1.54 -0.02 0.00 -0.04 0.95 -0.64 2wvaV1 ALA 556 H -0.20 0.65 -0.04 -0.55 8.40 8.26 2wvaV1 ALA 556 HA -0.07 -0.05 0.40 -0.75 4.34 3.86 2wvaV1 ALA 556 HB3 -0.04 0.02 0.15 -0.04 1.41 1.50 2wvaV1 ALA 557 H -0.08 0.45 -0.26 -0.55 8.40 7.97 2wvaV1 ALA 557 HA -0.02 -0.01 0.40 -0.75 4.34 3.95 2wvaV1 ALA 557 HB3 -0.03 0.03 0.13 -0.04 1.41 1.51 2wvaV1 ALA 558 H -0.03 0.57 -0.03 -0.55 8.40 8.36 2wvaV1 ALA 558 HA 0.12 0.04 0.49 -0.75 4.34 4.23 2wvaV1 ALA 558 HB3 0.10 0.02 0.13 -0.04 1.41 1.62 2wvaV1 ASN 559 H -0.01 0.57 -0.13 -0.55 8.53 8.42 2wvaV1 ASN 559 HA 0.04 -0.03 0.35 -0.75 4.76 4.37 2wvaV1 ASN 559 HB2 -0.03 0.13 0.12 -0.04 2.88 3.06 2wvaV1 ASN 559 HB3 -0.01 -0.08 0.01 -0.04 2.79 2.66 2wvaV1 ASN 559 HD21 0.06 -0.11 -0.07 -0.04 7.03 6.86 2wvaV1 ASN 559 HD22 -0.01 -0.02 -0.07 -0.04 7.74 7.60 2wvaV1 SER 560 H -0.01 0.37 -0.35 -0.55 8.46 7.92 2wvaV1 SER 560 HA -0.03 0.09 0.52 -0.75 4.49 4.33 2wvaV1 SER 560 HB2 -0.05 -0.11 0.09 -0.04 3.95 3.85 2wvaV1 SER 560 HB3 -0.06 -0.04 0.02 -0.04 3.93 3.81 2wvaV1 ARG 561 H 0.02 0.30 -0.28 -0.55 8.46 7.95 2wvaV1 ARG 561 HA 0.00 -0.11 0.36 -0.75 4.34 3.84 2wvaV1 ARG 561 HB2 0.01 -0.08 0.07 -0.04 1.90 1.86 2wvaV1 ARG 561 HB3 0.03 0.07 0.15 -0.04 1.80 2.01 2wvaV1 ARG 561 HG2 0.04 0.19 0.09 -0.04 1.67 1.95 2wvaV1 ARG 561 HG3 0.01 -0.01 -0.07 -0.04 1.67 1.56 2wvaV1 ARG 561 HD2 0.03 -0.07 0.02 -0.04 3.22 3.16 2wvaV1 ARG 561 HD3 0.10 0.03 0.10 -0.04 3.22 3.41 2wvaV1 LYS 562 H -0.00 -0.02 0.18 -0.55 8.42 8.02 2wvaV1 LYS 562 HA -0.01 0.08 0.36 -0.75 4.32 4.00 2wvaV1 LYS 562 HB2 -0.01 0.05 0.08 -0.04 1.87 1.95 2wvaV1 LYS 562 HB3 -0.01 -0.03 0.14 -0.04 1.79 1.85 2wvaV1 LYS 562 HG2 -0.00 -0.04 0.07 -0.04 1.46 1.45 2wvaV1 LYS 562 HG3 -0.01 -0.03 -0.09 -0.04 1.46 1.29 2wvaV1 LYS 562 HD2 -0.01 -0.05 -0.07 -0.04 1.69 1.52 2wvaV1 LYS 562 HD3 -0.01 0.08 -0.05 -0.04 1.68 1.67 2wvaV1 LYS 562 HE2 -0.00 -0.02 0.01 -0.04 2.99 2.93 2wvaV1 LYS 562 HE3 -0.01 -0.04 -0.00 -0.04 2.99 2.90 2wvaV1 PRO 563 HA -0.01 0.05 0.54 -0.51 4.44 4.51 2wvaV1 PRO 563 HB2 -0.01 -0.02 0.03 -0.04 2.28 2.24 2wvaV1 PRO 563 HB3 -0.01 0.01 0.11 -0.04 2.02 2.10 2wvaV1 PRO 563 HG2 -0.01 -0.03 0.10 -0.04 2.03 2.06 2wvaV1 PRO 563 HG3 -0.01 0.04 0.09 -0.04 2.03 2.11 2wvaV1 PRO 563 HD2 -0.01 0.03 0.23 -0.04 3.68 3.90 2wvaV1 PRO 563 HD3 -0.01 0.24 0.13 -0.04 3.65 3.97 2wvaV1 VAL 564 H -0.02 0.11 0.18 -0.55 8.24 7.96 2wvaV1 VAL 564 HA -0.02 0.08 0.59 -0.75 4.13 4.03 2wvaV1 VAL 564 HB -0.03 -0.03 0.07 -0.04 2.12 2.10 2wvaV1 VAL 564 HG13 -0.02 -0.00 -0.10 -0.04 0.97 0.81 2wvaV1 VAL 564 HG23 -0.03 0.03 0.03 -0.04 0.95 0.94 2wvaV1 ASN 565 H -0.01 0.12 0.11 -0.55 8.53 8.20 2wvaV1 ASN 565 HA -0.01 0.14 0.68 -0.75 4.76 4.81 2wvaV1 ASN 565 HB2 -0.01 0.04 0.03 -0.04 2.88 2.90 2wvaV1 ASN 565 HB3 -0.01 -0.01 0.15 -0.04 2.79 2.88 2wvaV1 ASN 565 HD21 -0.01 -0.00 -0.10 -0.04 7.03 6.88 2wvaV1 ASN 565 HD22 -0.01 0.00 -0.03 -0.04 7.74 7.66 2wvaV1 LYS 566 H -0.01 0.18 0.09 -0.55 8.42 8.13 2wvaV1 LYS 566 HA -0.01 0.07 0.14 -0.75 4.32 3.76 2wvaV1 LYS 566 HB2 -0.01 0.02 0.06 -0.04 1.87 1.90 2wvaV1 LYS 566 HB3 -0.01 -0.02 0.04 -0.04 1.79 1.75 2wvaV1 LYS 566 HG2 -0.01 0.07 -0.10 -0.04 1.46 1.37 2wvaV1 LYS 566 HG3 -0.01 0.01 0.02 -0.04 1.46 1.43 2wvaV1 LYS 566 HD2 -0.01 -0.01 -0.01 -0.04 1.69 1.62 2wvaV1 LYS 566 HD3 -0.01 -0.00 -0.06 -0.04 1.68 1.57 2wvaV1 LYS 566 HE2 -0.01 -0.01 -0.01 -0.04 2.99 2.92 2wvaV1 LYS 566 HE3 -0.01 0.01 -0.01 -0.04 2.99 2.95