============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. TYR 3 0.840 11.257 -9.782 9.466 -99.200 -91.000 TYR 12 0.840 2.186 -9.048 8.312 -99.200 -91.000 PHE 14 1.000 0.754 -12.456 2.428 -99.200 -91.000 TYR 34 0.840 10.860 -3.818 -15.395 -99.200 -91.000 TYR 42 0.840 14.683 -10.144 -4.546 -99.200 -91.000 PHE 43 1.000 11.152 -11.709 -8.681 -99.200 -91.000 PHE 92 1.000 3.987 -9.410 -10.415 -99.200 -91.000 TYR 95 0.840 -0.468 -0.552 -16.870 -99.200 -91.000 PHE 96 1.000 8.325 1.985 -15.756 -99.200 -91.000 PHE 104 1.000 -0.160 8.580 -8.721 -99.200 -91.000 HIS 113 0.900 -10.584 2.866 -17.484 -99.200 -91.000 TRP 126 1.040 5.504 6.026 -7.592 -99.200 -91.000 TRP6 126 1.020 7.383 7.429 -7.882 -99.200 -91.000 TRP 133 1.040 -2.801 14.500 -5.318 -99.200 -91.000 TRP6 133 1.020 -2.810 13.099 -7.225 -99.200 -91.000 PHE 145 1.000 -7.922 5.837 -7.324 -99.200 -91.000 TYR 173 0.840 -0.739 16.885 13.663 -99.200 -91.000 HIS 174 0.900 -1.093 19.134 5.948 -99.200 -91.000 PHE 177 1.000 -6.506 11.228 -4.240 -99.200 -91.000 TYR 183 0.840 -15.600 4.713 -4.078 -99.200 -91.000 TRP 205 1.040 8.650 3.195 9.724 -99.200 -91.000 TRP6 205 1.020 8.196 4.166 7.629 -99.200 -91.000 PHE 222 1.000 -11.401 12.267 -1.270 -99.200 -91.000 TRP 227 1.040 -16.955 2.283 3.168 -99.200 -91.000 TRP6 227 1.020 -14.641 2.588 3.505 -99.200 -91.000 HIS 230 0.900 -21.393 1.383 12.548 -99.200 -91.000 TYR 260 0.840 9.165 -5.624 3.196 -99.200 -91.000 PHE 281 1.000 -0.921 -5.825 3.703 -99.200 -91.000 TYR 298 0.840 -14.494 0.055 -2.426 -99.200 -91.000 TYR 304 0.840 -12.653 0.040 7.769 -99.200 -91.000 PHE 311 1.000 -9.032 -7.178 9.323 -99.200 -91.000 HIS 312 0.900 -0.791 -8.543 15.706 -99.200 -91.000 TYR 328 0.840 -4.182 11.912 13.392 -99.200 -91.000 TRP 334 1.040 -9.391 2.575 11.074 -99.200 -91.000 TRP6 334 1.020 -9.012 4.854 11.561 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1zvjA1 THR 4 HA -0.17 -0.12 0.24 -0.75 4.39 3.59 1zvjA1 THR 4 HB -0.10 -0.01 0.11 -0.04 4.32 4.28 1zvjA1 THR 4 HG23 -0.31 -0.02 -0.13 -0.04 1.22 0.73 1zvjA1 ALA 5 H -0.35 0.23 0.18 -0.55 8.40 7.91 1zvjA1 ALA 5 HA -0.19 0.20 0.44 -0.75 4.34 4.03 1zvjA1 ALA 5 HB3 -0.11 -0.01 -0.12 -0.04 1.41 1.13 1zvjA1 TYR 6 H -0.08 0.72 0.32 -0.55 8.29 8.70 1zvjA1 TYR 6 HA -0.10 0.12 0.90 -0.75 4.56 4.72 1zvjA1 TYR 6 HB2 -0.32 0.04 -0.06 -0.04 3.06 2.67 1zvjA1 TYR 6 HB3 -0.17 -0.04 0.09 -0.04 2.98 2.81 1zvjA1 TYR 6 HD2 -0.22 0.06 -0.12 -0.04 7.15 6.84 1zvjA1 TYR 6 HE2 -0.14 0.09 -0.00 -0.04 6.85 6.76 1zvjA1 THR 7 H 0.06 0.06 0.20 -0.55 8.28 8.05 1zvjA1 THR 7 HA 0.09 0.27 0.95 -0.75 4.39 4.96 1zvjA1 THR 7 HB 0.04 0.14 0.24 -0.04 4.32 4.69 1zvjA1 THR 7 HG23 0.00 0.04 0.07 -0.04 1.22 1.29 1zvjA1 PRO 8 HA 0.17 0.07 0.55 -0.51 4.44 4.72 1zvjA1 PRO 8 HB2 0.10 0.11 -0.02 -0.04 2.28 2.43 1zvjA1 PRO 8 HB3 0.10 0.08 0.09 -0.04 2.02 2.25 1zvjA1 PRO 8 HG2 0.21 0.16 0.02 -0.04 2.03 2.38 1zvjA1 PRO 8 HG3 0.21 -0.00 0.02 -0.04 2.03 2.21 1zvjA1 PRO 8 HD2 0.14 0.12 0.24 -0.04 3.68 4.14 1zvjA1 PRO 8 HD3 0.23 0.25 0.23 -0.04 3.65 4.31 1zvjA1 LEU 9 H 0.03 0.15 -0.16 -0.55 8.37 7.84 1zvjA1 LEU 9 HA -0.05 0.17 0.43 -0.75 4.35 4.14 1zvjA1 LEU 9 HB2 -0.01 -0.11 0.08 -0.04 1.64 1.56 1zvjA1 LEU 9 HB3 -0.02 0.05 0.00 -0.04 1.64 1.63 1zvjA1 LEU 9 HG 0.00 -0.05 0.07 -0.04 1.64 1.63 1zvjA1 LEU 9 HD13 -0.01 0.03 0.02 -0.04 0.93 0.94 1zvjA1 LEU 9 HD23 0.02 0.02 -0.08 -0.04 0.89 0.81 1zvjA1 ASP 10 H -0.01 0.03 -0.21 -0.55 8.40 7.67 1zvjA1 ASP 10 HA -0.05 0.04 0.39 -0.75 4.63 4.26 1zvjA1 ASP 10 HB2 0.10 0.12 0.19 -0.04 2.71 3.09 1zvjA1 ASP 10 HB3 0.17 0.04 0.04 -0.04 2.70 2.91 1zvjA1 VAL 11 H -0.16 0.35 -0.27 -0.55 8.24 7.61 1zvjA1 VAL 11 HA -0.59 0.00 0.42 -0.75 4.13 3.21 1zvjA1 VAL 11 HB -0.13 0.09 0.09 -0.04 2.12 2.13 1zvjA1 VAL 11 HG13 -0.32 -0.01 -0.08 -0.04 0.97 0.52 1zvjA1 VAL 11 HG23 -0.56 0.02 -0.05 -0.04 0.95 0.33 1zvjA1 ALA 12 H -0.27 0.61 -0.17 -0.55 8.40 8.01 1zvjA1 ALA 12 HA -1.07 0.00 0.33 -0.75 4.34 2.85 1zvjA1 ALA 12 HB3 -0.39 0.04 0.08 -0.04 1.41 1.10 1zvjA1 GLN 13 H -0.18 0.50 -0.22 -0.55 8.47 8.04 1zvjA1 GLN 13 HA -0.03 0.06 0.45 -0.75 4.36 4.09 1zvjA1 GLN 13 HB2 -0.09 0.02 0.13 -0.04 2.15 2.18 1zvjA1 GLN 13 HB3 -0.04 -0.05 0.01 -0.04 2.02 1.90 1zvjA1 GLN 13 HG2 -0.06 0.12 0.02 -0.04 2.40 2.44 1zvjA1 GLN 13 HG3 -0.04 -0.09 -0.04 -0.04 2.39 2.19 1zvjA1 GLN 13 HE21 0.00 -0.01 -0.02 -0.04 6.97 6.91 1zvjA1 GLN 13 HE22 -0.01 -0.02 -0.03 -0.04 7.69 7.59 1zvjA1 ALA 14 H -0.25 0.48 -0.11 -0.55 8.40 7.98 1zvjA1 ALA 14 HA -0.11 0.04 0.26 -0.75 4.34 3.78 1zvjA1 ALA 14 HB3 -0.41 -0.01 -0.03 -0.04 1.41 0.92 1zvjA1 TYR 15 H -0.16 0.43 -0.36 -0.55 8.29 7.65 1zvjA1 TYR 15 HA 0.05 0.16 0.78 -0.75 4.56 4.79 1zvjA1 TYR 15 HB2 0.24 0.01 0.07 -0.04 3.06 3.34 1zvjA1 TYR 15 HB3 0.27 0.16 0.24 -0.04 2.98 3.61 1zvjA1 TYR 15 HD2 0.15 0.06 -0.13 -0.04 7.15 7.19 1zvjA1 TYR 15 HE2 0.03 -0.08 -0.03 -0.04 6.85 6.72 1zvjA1 GLN 16 H 0.09 0.51 -0.52 -0.55 8.47 8.02 1zvjA1 GLN 16 HA 0.10 0.10 0.38 -0.75 4.36 4.18 1zvjA1 GLN 16 HB2 0.09 -0.06 -0.21 -0.04 2.15 1.93 1zvjA1 GLN 16 HB3 0.06 -0.12 0.17 -0.04 2.02 2.09 1zvjA1 GLN 16 HG2 0.04 0.03 0.08 -0.04 2.40 2.51 1zvjA1 GLN 16 HG3 0.06 0.18 -0.04 -0.04 2.39 2.55 1zvjA1 GLN 16 HE21 0.03 -0.06 0.02 -0.04 6.97 6.92 1zvjA1 GLN 16 HE22 0.04 0.12 0.05 -0.04 7.69 7.86 1zvjA1 PHE 17 H 0.37 0.47 -0.08 -0.55 8.34 8.55 1zvjA1 PHE 17 HA 0.04 0.02 0.50 -0.75 4.62 4.43 1zvjA1 PHE 17 HB2 0.05 -0.05 -0.00 -0.04 3.15 3.10 1zvjA1 PHE 17 HB3 0.04 0.11 -0.06 -0.04 3.06 3.12 1zvjA1 PHE 17 HD2 0.11 0.07 -0.12 -0.04 7.28 7.30 1zvjA1 PHE 17 HE2 0.24 0.03 -0.04 -0.04 7.38 7.57 1zvjA1 PHE 17 HZ 0.37 -0.05 -0.17 -0.04 7.32 7.42 1zvjA1 PRO 18 HA 0.04 -0.00 0.48 -0.51 4.44 4.45 1zvjA1 PRO 18 HB2 -0.00 0.08 -0.03 -0.04 2.28 2.29 1zvjA1 PRO 18 HB3 -0.02 0.01 0.05 -0.04 2.02 2.02 1zvjA1 PRO 18 HG2 -0.03 0.01 0.04 -0.04 2.03 2.00 1zvjA1 PRO 18 HG3 -0.07 0.07 0.01 -0.04 2.03 2.00 1zvjA1 PRO 18 HD2 -0.12 0.07 0.19 -0.04 3.68 3.78 1zvjA1 PRO 18 HD3 -0.11 0.09 0.12 -0.04 3.65 3.71 1zvjA1 GLU 19 H 0.03 0.08 0.18 -0.55 8.60 8.34 1zvjA1 GLU 19 HA 0.05 0.13 0.50 -0.75 4.29 4.22 1zvjA1 GLU 19 HB2 0.02 -0.02 0.08 -0.04 2.09 2.13 1zvjA1 GLU 19 HB3 0.03 -0.04 0.08 -0.04 1.99 2.01 1zvjA1 GLU 19 HG2 0.03 -0.04 0.02 -0.04 2.34 2.30 1zvjA1 GLU 19 HG3 0.05 0.12 -0.06 -0.04 2.34 2.41 1zvjA1 GLY 20 H 0.03 0.16 0.12 -0.55 8.43 8.20 1zvjA1 GLY 20 HA2 0.01 -0.03 0.32 -0.51 4.01 3.80 1zvjA1 GLY 20 HA3 0.01 0.15 0.59 -0.51 4.01 4.25 1zvjA1 LEU 21 H 0.03 0.22 -0.36 -0.55 8.37 7.71 1zvjA1 LEU 21 HA 0.01 0.09 0.90 -0.75 4.35 4.59 1zvjA1 LEU 21 HB2 0.02 0.12 0.05 -0.04 1.64 1.79 1zvjA1 LEU 21 HB3 0.01 -0.05 0.08 -0.04 1.64 1.63 1zvjA1 LEU 21 HG 0.01 -0.01 -0.51 -0.04 1.64 1.08 1zvjA1 LEU 21 HD13 -0.01 0.04 -0.14 -0.04 0.93 0.78 1zvjA1 LEU 21 HD23 -0.00 0.03 -0.08 -0.04 0.89 0.79 1zvjA1 ASP 22 H 0.02 0.11 0.12 -0.55 8.40 8.10 1zvjA1 ASP 22 HA 0.05 0.43 0.99 -0.75 4.63 5.34 1zvjA1 ASP 22 HB2 0.02 -0.01 0.08 -0.04 2.71 2.76 1zvjA1 ASP 22 HB3 0.02 0.05 -0.12 -0.04 2.70 2.61 1zvjA1 GLY 23 H 0.01 0.11 -0.03 -0.55 8.43 7.98 1zvjA1 GLY 23 HA2 -0.01 0.15 0.07 -0.51 4.01 3.72 1zvjA1 GLY 23 HA3 0.00 0.12 0.40 -0.51 4.01 4.02 1zvjA1 GLN 24 H 0.00 -0.09 -0.22 -0.55 8.47 7.61 1zvjA1 GLN 24 HA -0.01 0.29 0.17 -0.75 4.36 4.06 1zvjA1 GLN 24 HB2 0.00 -0.07 0.05 -0.04 2.15 2.09 1zvjA1 GLN 24 HB3 -0.00 0.02 -0.00 -0.04 2.02 2.00 1zvjA1 GLN 24 HG2 -0.00 0.05 0.11 -0.04 2.40 2.51 1zvjA1 GLN 24 HG3 0.00 -0.02 0.03 -0.04 2.39 2.37 1zvjA1 GLN 24 HE21 -0.00 -0.01 -0.02 -0.04 6.97 6.90 1zvjA1 GLN 24 HE22 0.00 -0.02 -0.00 -0.04 7.69 7.63 1zvjA1 GLY 25 H -0.01 0.18 0.15 -0.55 8.43 8.20 1zvjA1 GLY 25 HA2 -0.01 -0.03 0.33 -0.51 4.01 3.79 1zvjA1 GLY 25 HA3 -0.01 0.11 0.50 -0.51 4.01 4.09 1zvjA1 GLN 26 H -0.04 0.46 -0.31 -0.55 8.47 8.04 1zvjA1 GLN 26 HA -0.04 0.24 1.06 -0.75 4.36 4.86 1zvjA1 GLN 26 HB2 -0.07 0.05 0.02 -0.04 2.15 2.11 1zvjA1 GLN 26 HB3 -0.06 -0.08 0.01 -0.04 2.02 1.84 1zvjA1 GLN 26 HG2 -0.03 0.07 -0.30 -0.04 2.40 2.09 1zvjA1 GLN 26 HG3 -0.03 0.03 0.02 -0.04 2.39 2.36 1zvjA1 GLN 26 HE21 -0.02 0.02 -0.29 -0.04 6.97 6.64 1zvjA1 GLN 26 HE22 -0.02 0.02 -0.36 -0.04 7.69 7.28 1zvjA1 CYS 27 H -0.06 0.21 0.23 -0.55 8.50 8.33 1zvjA1 CYS 27 HA -0.16 0.27 1.03 -0.75 4.58 4.97 1zvjA1 CYS 27 HB2 -0.04 -0.02 -0.03 -0.04 2.97 2.84 1zvjA1 CYS 27 HB3 -0.02 0.13 0.08 -0.04 2.97 3.11 1zvjA1 ILE 28 H -0.40 0.62 0.25 -0.55 8.25 8.18 1zvjA1 ILE 28 HA -0.08 0.13 0.94 -0.75 4.18 4.42 1zvjA1 ILE 28 HB -0.70 0.04 0.06 -0.04 1.89 1.24 1zvjA1 ILE 28 HG12 -0.06 -0.01 -0.11 -0.04 1.49 1.27 1zvjA1 ILE 28 HG13 -0.18 -0.04 -0.24 -0.04 1.21 0.71 1zvjA1 ILE 28 HG23 0.05 -0.04 -0.28 -0.04 0.93 0.61 1zvjA1 ILE 28 HD13 -0.13 0.01 -0.16 -0.04 0.88 0.56 1zvjA1 ALA 29 H 0.02 0.84 0.42 -0.55 8.40 9.13 1zvjA1 ALA 29 HA 0.19 0.23 1.07 -0.75 4.34 5.08 1zvjA1 ALA 29 HB3 0.11 -0.01 0.08 -0.04 1.41 1.55 1zvjA1 ILE 30 H 0.21 0.70 0.42 -0.55 8.25 9.03 1zvjA1 ILE 30 HA 0.12 0.27 0.95 -0.75 4.18 4.78 1zvjA1 ILE 30 HB 0.12 -0.06 0.05 -0.04 1.89 1.96 1zvjA1 ILE 30 HG12 0.15 -0.00 -0.13 -0.04 1.49 1.47 1zvjA1 ILE 30 HG13 0.19 0.02 -0.53 -0.04 1.21 0.84 1zvjA1 ILE 30 HG23 0.09 -0.01 -0.16 -0.04 0.93 0.81 1zvjA1 ILE 30 HD13 0.27 -0.01 -0.23 -0.04 0.88 0.87 1zvjA1 ILE 31 H 0.14 0.47 0.28 -0.55 8.25 8.58 1zvjA1 ILE 31 HA 0.06 0.18 0.82 -0.75 4.18 4.48 1zvjA1 ILE 31 HB 0.19 -0.09 0.15 -0.04 1.89 2.10 1zvjA1 ILE 31 HG12 0.15 0.07 -0.16 -0.04 1.49 1.51 1zvjA1 ILE 31 HG13 0.23 -0.03 -0.14 -0.04 1.21 1.23 1zvjA1 ILE 31 HG23 0.01 -0.02 -0.22 -0.04 0.93 0.66 1zvjA1 ILE 31 HD13 0.00 0.01 -0.28 -0.04 0.88 0.56 1zvjA1 GLU 32 H -0.20 0.76 0.33 -0.55 8.60 8.94 1zvjA1 GLU 32 HA -0.22 0.11 0.92 -0.75 4.29 4.35 1zvjA1 GLU 32 HB2 -0.95 0.04 -0.08 -0.04 2.09 1.06 1zvjA1 GLU 32 HB3 -0.22 -0.01 -0.04 -0.04 1.99 1.68 1zvjA1 GLU 32 HG2 -0.15 0.01 -0.75 -0.04 2.34 1.41 1zvjA1 GLU 32 HG3 -0.27 -0.06 -0.23 -0.04 2.34 1.74 1zvjA1 LEU 33 H -1.74 0.13 0.04 -0.55 8.37 6.25 1zvjA1 LEU 33 HA -0.48 0.49 1.06 -0.75 4.35 4.66 1zvjA1 LEU 33 HB2 -2.21 -0.04 0.07 -0.04 1.64 -0.57 1zvjA1 LEU 33 HB3 -0.69 -0.07 0.05 -0.04 1.64 0.88 1zvjA1 LEU 33 HG -1.41 -0.05 -0.26 -0.04 1.64 -0.11 1zvjA1 LEU 33 HD13 -0.77 -0.03 -0.08 -0.04 0.93 0.01 1zvjA1 LEU 33 HD23 -0.40 0.10 -0.31 -0.04 0.89 0.24 1zvjA1 GLY 34 H -0.06 0.30 -0.11 -0.55 8.43 8.01 1zvjA1 GLY 34 HA2 0.02 0.07 0.37 -0.51 4.01 3.97 1zvjA1 GLY 34 HA3 0.05 0.03 0.49 -0.51 4.01 4.07 1zvjA1 GLY 35 H 0.10 0.11 0.18 -0.55 8.43 8.28 1zvjA1 GLY 35 HA2 0.08 0.06 0.42 -0.51 4.01 4.06 1zvjA1 GLY 35 HA3 0.17 -0.16 0.20 -0.51 4.01 3.71 1zvjA1 GLY 36 H 0.13 0.09 0.20 -0.55 8.43 8.30 1zvjA1 GLY 36 HA2 0.25 0.19 0.37 -0.51 4.01 4.30 1zvjA1 GLY 36 HA3 -0.09 0.06 0.04 -0.51 4.01 3.51 1zvjA1 TYR 37 H -0.17 0.27 0.11 -0.55 8.29 7.95 1zvjA1 TYR 37 HA 0.05 0.14 0.86 -0.75 4.56 4.84 1zvjA1 TYR 37 HB2 0.04 -0.01 -0.04 -0.04 3.06 3.02 1zvjA1 TYR 37 HB3 0.10 0.06 -0.16 -0.04 2.98 2.94 1zvjA1 TYR 37 HD2 0.19 -0.08 -0.35 -0.04 7.15 6.87 1zvjA1 TYR 37 HE2 0.20 0.05 -0.09 -0.04 6.85 6.97 1zvjA1 ASP 38 H 0.14 0.15 0.13 -0.55 8.40 8.27 1zvjA1 ASP 38 HA 0.00 0.32 0.98 -0.75 4.63 5.18 1zvjA1 ASP 38 HB2 0.01 0.13 0.06 -0.04 2.71 2.87 1zvjA1 ASP 38 HB3 0.04 -0.09 0.21 -0.04 2.70 2.82 1zvjA1 GLU 39 H 0.17 0.31 -0.02 -0.55 8.60 8.51 1zvjA1 GLU 39 HA 0.23 0.05 0.49 -0.75 4.29 4.31 1zvjA1 GLU 39 HB2 0.52 0.04 0.10 -0.04 2.09 2.70 1zvjA1 GLU 39 HB3 0.18 0.03 0.22 -0.04 1.99 2.37 1zvjA1 GLU 39 HG2 0.12 0.02 0.12 -0.04 2.34 2.57 1zvjA1 GLU 39 HG3 0.14 -0.03 -0.02 -0.04 2.34 2.39 1zvjA1 ALA 40 H 0.10 0.27 0.27 -0.55 8.40 8.49 1zvjA1 ALA 40 HA 0.07 0.17 0.49 -0.75 4.34 4.31 1zvjA1 ALA 40 HB3 0.04 0.06 -0.07 -0.04 1.41 1.40 1zvjA1 SER 41 H 0.05 0.27 0.19 -0.55 8.46 8.43 1zvjA1 SER 41 HA 0.02 0.17 0.66 -0.75 4.49 4.59 1zvjA1 SER 41 HB2 -0.01 0.05 0.04 -0.04 3.95 3.98 1zvjA1 SER 41 HB3 0.01 0.06 0.12 -0.04 3.93 4.08 1zvjA1 LEU 42 H 0.04 0.24 0.22 -0.55 8.37 8.32 1zvjA1 LEU 42 HA -0.22 0.13 0.51 -0.75 4.35 4.01 1zvjA1 LEU 42 HB2 0.10 -0.07 0.05 -0.04 1.64 1.69 1zvjA1 LEU 42 HB3 0.13 0.17 -0.03 -0.04 1.64 1.86 1zvjA1 LEU 42 HG 0.07 -0.02 0.02 -0.04 1.64 1.67 1zvjA1 LEU 42 HD13 -0.18 0.02 -0.12 -0.04 0.93 0.62 1zvjA1 LEU 42 HD23 -0.13 0.01 -0.00 -0.04 0.89 0.72 1zvjA1 ALA 43 H 0.08 -0.09 -0.49 -0.55 8.40 7.36 1zvjA1 ALA 43 HA 0.24 0.14 0.36 -0.75 4.34 4.33 1zvjA1 ALA 43 HB3 0.09 0.06 0.03 -0.04 1.41 1.55 1zvjA1 GLN 44 H 0.04 0.30 -0.19 -0.55 8.47 8.07 1zvjA1 GLN 44 HA 0.03 0.09 0.51 -0.75 4.36 4.23 1zvjA1 GLN 44 HB2 0.02 -0.01 0.10 -0.04 2.15 2.23 1zvjA1 GLN 44 HB3 0.02 -0.01 0.19 -0.04 2.02 2.18 1zvjA1 GLN 44 HG2 0.02 0.02 -0.44 -0.04 2.40 1.95 1zvjA1 GLN 44 HG3 0.01 -0.01 -0.02 -0.04 2.39 2.33 1zvjA1 GLN 44 HE21 0.02 -0.01 -0.07 -0.04 6.97 6.87 1zvjA1 GLN 44 HE22 0.01 0.01 -0.05 -0.04 7.69 7.63 1zvjA1 TYR 45 H 0.03 0.38 -0.27 -0.55 8.29 7.88 1zvjA1 TYR 45 HA -0.10 0.03 0.46 -0.75 4.56 4.20 1zvjA1 TYR 45 HB2 -0.20 -0.05 0.12 -0.04 3.06 2.89 1zvjA1 TYR 45 HB3 -0.49 0.07 0.22 -0.04 2.98 2.75 1zvjA1 TYR 45 HD2 -0.61 0.02 -0.06 -0.04 7.15 6.46 1zvjA1 TYR 45 HE2 -0.08 0.12 -0.07 -0.04 6.85 6.77 1zvjA1 PHE 46 H -0.16 0.58 -0.03 -0.55 8.34 8.17 1zvjA1 PHE 46 HA -0.21 0.01 0.33 -0.75 4.62 3.99 1zvjA1 PHE 46 HB2 -0.00 -0.06 0.07 -0.04 3.15 3.11 1zvjA1 PHE 46 HB3 -0.03 0.27 -0.22 -0.04 3.06 3.04 1zvjA1 PHE 46 HD2 0.01 -0.06 -0.11 -0.04 7.28 7.08 1zvjA1 PHE 46 HE2 -0.02 -0.02 -0.10 -0.04 7.38 7.20 1zvjA1 PHE 46 HZ -0.19 0.09 -0.14 -0.04 7.32 7.05 1zvjA1 ALA 47 H 0.09 0.42 -0.20 -0.55 8.40 8.17 1zvjA1 ALA 47 HA 0.03 0.03 0.38 -0.75 4.34 4.03 1zvjA1 ALA 47 HB3 0.02 0.01 0.10 -0.04 1.41 1.50 1zvjA1 SER 48 H -0.09 0.42 -0.38 -0.55 8.46 7.87 1zvjA1 SER 48 HA -0.05 -0.03 0.42 -0.75 4.49 4.08 1zvjA1 SER 48 HB2 -0.08 -0.11 0.07 -0.04 3.95 3.79 1zvjA1 SER 48 HB3 -0.07 0.00 0.15 -0.04 3.93 3.98 1zvjA1 LEU 49 H -0.22 0.42 -0.11 -0.55 8.37 7.91 1zvjA1 LEU 49 HA -0.11 -0.01 0.49 -0.75 4.35 3.96 1zvjA1 LEU 49 HB2 -0.08 0.14 0.11 -0.04 1.64 1.77 1zvjA1 LEU 49 HB3 -0.06 -0.08 0.14 -0.04 1.64 1.60 1zvjA1 LEU 49 HG -0.70 0.10 0.04 -0.04 1.64 1.04 1zvjA1 LEU 49 HD13 -0.02 -0.02 0.05 -0.04 0.93 0.91 1zvjA1 LEU 49 HD23 -0.17 -0.03 0.02 -0.04 0.89 0.67 1zvjA1 GLY 50 H -0.04 0.37 -0.59 -0.55 8.43 7.63 1zvjA1 GLY 50 HA2 -0.01 0.01 0.28 -0.51 4.01 3.78 1zvjA1 GLY 50 HA3 -0.02 0.00 0.51 -0.51 4.01 4.00 1zvjA1 VAL 51 H 0.01 0.41 -0.10 -0.55 8.24 8.02 1zvjA1 VAL 51 HA -0.00 0.19 0.93 -0.75 4.13 4.50 1zvjA1 VAL 51 HB -0.01 0.04 0.06 -0.04 2.12 2.18 1zvjA1 VAL 51 HG13 0.01 0.01 -0.22 -0.04 0.97 0.73 1zvjA1 VAL 51 HG23 0.03 0.05 -0.15 -0.04 0.95 0.84 1zvjA1 PRO 52 HA -0.01 -0.07 0.37 -0.51 4.44 4.22 1zvjA1 PRO 52 HB2 -0.05 0.15 -0.10 -0.04 2.28 2.25 1zvjA1 PRO 52 HB3 -0.02 -0.01 -0.00 -0.04 2.02 1.95 1zvjA1 PRO 52 HG2 -0.01 0.03 -0.00 -0.04 2.03 2.00 1zvjA1 PRO 52 HG3 -0.01 -0.01 0.02 -0.04 2.03 1.99 1zvjA1 PRO 52 HD2 -0.02 0.14 0.14 -0.04 3.68 3.89 1zvjA1 PRO 52 HD3 -0.01 0.17 0.17 -0.04 3.65 3.94 1zvjA1 ALA 53 H 0.00 0.02 0.13 -0.55 8.40 8.00 1zvjA1 ALA 53 HA -0.35 0.13 0.63 -0.75 4.34 3.99 1zvjA1 ALA 53 HB3 0.12 -0.04 0.08 -0.04 1.41 1.54 1zvjA1 PRO 54 HA -0.03 0.13 0.43 -0.51 4.44 4.46 1zvjA1 PRO 54 HB2 0.24 0.13 0.03 -0.04 2.28 2.64 1zvjA1 PRO 54 HB3 0.05 0.19 0.10 -0.04 2.02 2.33 1zvjA1 PRO 54 HG2 -0.48 -0.14 -0.05 -0.04 2.03 1.32 1zvjA1 PRO 54 HG3 -0.55 0.07 0.06 -0.04 2.03 1.57 1zvjA1 PRO 54 HD2 -1.04 -0.14 0.14 -0.04 3.68 2.60 1zvjA1 PRO 54 HD3 -0.98 0.41 0.25 -0.04 3.65 3.29 1zvjA1 GLN 55 H 0.06 0.21 0.16 -0.55 8.47 8.36 1zvjA1 GLN 55 HA 0.05 0.02 0.64 -0.75 4.36 4.32 1zvjA1 GLN 55 HB2 0.05 -0.03 0.11 -0.04 2.15 2.23 1zvjA1 GLN 55 HB3 0.05 0.08 0.17 -0.04 2.02 2.28 1zvjA1 GLN 55 HG2 0.06 -0.02 -0.01 -0.04 2.40 2.39 1zvjA1 GLN 55 HG3 0.08 0.02 -0.58 -0.04 2.39 1.87 1zvjA1 GLN 55 HE21 0.03 -0.03 -0.02 -0.04 6.97 6.91 1zvjA1 GLN 55 HE22 0.03 0.04 0.00 -0.04 7.69 7.73 1zvjA1 VAL 56 H 0.08 0.15 0.17 -0.55 8.24 8.09 1zvjA1 VAL 56 HA 0.14 0.27 0.96 -0.75 4.13 4.74 1zvjA1 VAL 56 HB 0.02 -0.10 0.07 -0.04 2.12 2.07 1zvjA1 VAL 56 HG13 -0.25 -0.04 -0.25 -0.04 0.97 0.39 1zvjA1 VAL 56 HG23 -0.07 0.07 -0.30 -0.04 0.95 0.61 1zvjA1 VAL 57 H 0.10 0.86 0.31 -0.55 8.24 8.96 1zvjA1 VAL 57 HA 0.12 0.14 1.15 -0.75 4.13 4.79 1zvjA1 VAL 57 HB 0.04 0.01 0.07 -0.04 2.12 2.20 1zvjA1 VAL 57 HG13 0.05 0.02 -0.17 -0.04 0.97 0.83 1zvjA1 VAL 57 HG23 -0.00 0.05 -0.00 -0.04 0.95 0.96 1zvjA1 SER 58 H 0.13 0.13 0.21 -0.55 8.46 8.39 1zvjA1 SER 58 HA 0.22 0.27 0.93 -0.75 4.49 5.15 1zvjA1 SER 58 HB2 0.08 -0.01 0.15 -0.04 3.95 4.13 1zvjA1 SER 58 HB3 0.16 -0.05 0.09 -0.04 3.93 4.09 1zvjA1 VAL 59 H 0.12 0.60 0.39 -0.55 8.24 8.80 1zvjA1 VAL 59 HA -0.02 0.13 0.87 -0.75 4.13 4.36 1zvjA1 VAL 59 HB -0.58 -0.05 -0.05 -0.04 2.12 1.41 1zvjA1 VAL 59 HG13 0.05 0.00 -0.19 -0.04 0.97 0.79 1zvjA1 VAL 59 HG23 -0.33 0.01 -0.30 -0.04 0.95 0.29 1zvjA1 SER 60 H 0.03 0.14 0.15 -0.55 8.46 8.24 1zvjA1 SER 60 HA 0.10 0.14 0.76 -0.75 4.49 4.74 1zvjA1 SER 60 HB2 0.01 -0.07 0.12 -0.04 3.95 3.96 1zvjA1 SER 60 HB3 0.02 -0.08 0.16 -0.04 3.93 3.99 1zvjA1 VAL 61 H 0.10 0.51 0.27 -0.55 8.24 8.58 1zvjA1 VAL 61 HA 0.08 0.19 1.12 -0.75 4.13 4.76 1zvjA1 VAL 61 HB 0.10 0.12 0.07 -0.04 2.12 2.38 1zvjA1 VAL 61 HG13 0.08 -0.03 -0.27 -0.04 0.97 0.71 1zvjA1 VAL 61 HG23 0.19 0.01 -0.25 -0.04 0.95 0.86 1zvjA1 ASP 62 H 0.05 0.22 0.14 -0.55 8.40 8.25 1zvjA1 ASP 62 HA 0.03 0.06 0.34 -0.75 4.63 4.30 1zvjA1 ASP 62 HB2 0.03 0.16 0.02 -0.04 2.71 2.87 1zvjA1 ASP 62 HB3 0.02 -0.02 0.28 -0.04 2.70 2.94 1zvjA1 GLY 63 H 0.03 0.11 -0.35 -0.55 8.43 7.67 1zvjA1 GLY 63 HA2 0.01 0.01 0.23 -0.51 4.01 3.75 1zvjA1 GLY 63 HA3 0.01 0.12 0.45 -0.51 4.01 4.07 1zvjA1 ALA 64 H 0.03 0.40 -0.57 -0.55 8.40 7.72 1zvjA1 ALA 64 HA -0.01 0.14 0.60 -0.75 4.34 4.33 1zvjA1 ALA 64 HB3 0.04 0.03 -0.17 -0.04 1.41 1.26 1zvjA1 SER 65 H -0.06 0.27 0.10 -0.55 8.46 8.23 1zvjA1 SER 65 HA -0.08 0.09 0.49 -0.75 4.49 4.24 1zvjA1 SER 65 HB2 -0.15 -0.06 0.02 -0.04 3.95 3.72 1zvjA1 SER 65 HB3 -0.07 0.14 -0.33 -0.04 3.93 3.64 1zvjA1 ASN 66 H -0.45 0.15 0.06 -0.55 8.53 7.74 1zvjA1 ASN 66 HA -1.73 0.13 0.57 -0.75 4.76 2.98 1zvjA1 ASN 66 HB2 -0.71 0.02 0.13 -0.04 2.88 2.28 1zvjA1 ASN 66 HB3 -0.45 0.03 0.23 -0.04 2.79 2.56 1zvjA1 ASN 66 HD21 -1.24 0.15 0.10 -0.04 7.03 5.99 1zvjA1 ASN 66 HD22 -0.67 0.02 0.07 -0.04 7.74 7.12 1zvjA1 GLN 67 H -0.38 0.50 0.13 -0.55 8.47 8.17 1zvjA1 GLN 67 HA -0.17 0.23 0.86 -0.75 4.36 4.53 1zvjA1 GLN 67 HB2 -0.11 -0.02 0.06 -0.04 2.15 2.04 1zvjA1 GLN 67 HB3 -0.08 0.02 -0.05 -0.04 2.02 1.87 1zvjA1 GLN 67 HG2 -0.18 -0.07 -0.67 -0.04 2.40 1.43 1zvjA1 GLN 67 HG3 -0.09 -0.02 -0.15 -0.04 2.39 2.09 1zvjA1 GLN 67 HE21 -0.10 -0.02 -0.06 -0.04 6.97 6.75 1zvjA1 GLN 67 HE22 -0.13 -0.09 -0.24 -0.04 7.69 7.18 1zvjA1 PRO 68 HA 0.01 -0.19 0.42 -0.51 4.44 4.17 1zvjA1 PRO 68 HB2 -0.03 0.09 -0.05 -0.04 2.28 2.25 1zvjA1 PRO 68 HB3 -0.01 -0.03 -0.09 -0.04 2.02 1.85 1zvjA1 PRO 68 HG2 -0.08 0.09 -0.12 -0.04 2.03 1.88 1zvjA1 PRO 68 HG3 -0.07 -0.04 -0.37 -0.04 2.03 1.50 1zvjA1 PRO 68 HD2 -0.12 0.20 0.07 -0.04 3.68 3.78 1zvjA1 PRO 68 HD3 -0.21 0.15 -0.29 -0.04 3.65 3.25 1zvjA1 THR 69 H 0.03 -0.05 0.26 -0.55 8.28 7.97 1zvjA1 THR 69 HA -0.00 0.35 0.81 -0.75 4.39 4.79 1zvjA1 THR 69 HB 0.02 0.11 0.20 -0.04 4.32 4.61 1zvjA1 THR 69 HG23 0.05 0.02 0.19 -0.04 1.22 1.44 1zvjA1 GLY 70 H 0.01 -0.03 -0.16 -0.55 8.43 7.70 1zvjA1 GLY 70 HA2 0.00 0.02 0.24 -0.51 4.01 3.77 1zvjA1 GLY 70 HA3 0.00 0.22 0.46 -0.51 4.01 4.19 1zvjA1 ASP 71 H 0.02 -0.02 -0.49 -0.55 8.40 7.37 1zvjA1 ASP 71 HA 0.01 0.32 0.79 -0.75 4.63 5.00 1zvjA1 ASP 71 HB2 0.02 0.15 0.00 -0.04 2.71 2.84 1zvjA1 ASP 71 HB3 0.03 -0.14 0.12 -0.04 2.70 2.67 1zvjA1 PRO 72 HA 0.00 -0.01 0.28 -0.51 4.44 4.20 1zvjA1 PRO 72 HB2 -0.00 0.07 -0.07 -0.04 2.28 2.23 1zvjA1 PRO 72 HB3 -0.01 0.08 -0.01 -0.04 2.02 2.03 1zvjA1 PRO 72 HG2 -0.00 0.09 0.06 -0.04 2.03 2.15 1zvjA1 PRO 72 HG3 -0.00 0.12 0.01 -0.04 2.03 2.11 1zvjA1 PRO 72 HD2 0.01 0.07 0.22 -0.04 3.68 3.94 1zvjA1 PRO 72 HD3 0.01 0.45 0.40 -0.04 3.65 4.47 1zvjA1 SER 73 H 0.01 0.08 -0.27 -0.55 8.46 7.74 1zvjA1 SER 73 HA 0.00 0.17 0.50 -0.75 4.49 4.41 1zvjA1 SER 73 HB2 0.01 -0.06 0.02 -0.04 3.95 3.88 1zvjA1 SER 73 HB3 0.01 0.04 0.02 -0.04 3.93 3.96 1zvjA1 GLY 74 H 0.02 0.15 -0.52 -0.55 8.43 7.54 1zvjA1 GLY 74 HA2 0.04 0.22 0.58 -0.51 4.01 4.34 1zvjA1 GLY 74 HA3 0.05 -0.02 0.36 -0.51 4.01 3.89 1zvjA1 PRO 75 HA 0.23 0.16 0.35 -0.51 4.44 4.67 1zvjA1 PRO 75 HB2 0.26 0.04 -0.43 -0.04 2.28 2.11 1zvjA1 PRO 75 HB3 0.40 0.14 0.01 -0.04 2.02 2.53 1zvjA1 PRO 75 HG2 0.12 -0.10 0.24 -0.04 2.03 2.25 1zvjA1 PRO 75 HG3 0.13 0.12 0.20 -0.04 2.03 2.44 1zvjA1 PRO 75 HD2 0.08 0.09 0.28 -0.04 3.68 4.09 1zvjA1 PRO 75 HD3 0.12 0.24 0.22 -0.04 3.65 4.19 1zvjA1 ASP 76 H 0.10 0.11 -0.04 -0.55 8.40 8.02 1zvjA1 ASP 76 HA 0.14 0.04 0.42 -0.75 4.63 4.47 1zvjA1 ASP 76 HB2 0.05 0.26 -0.05 -0.04 2.71 2.93 1zvjA1 ASP 76 HB3 0.05 0.05 -0.04 -0.04 2.70 2.72 1zvjA1 GLY 77 H 0.04 0.29 -0.54 -0.55 8.43 7.67 1zvjA1 GLY 77 HA2 -0.01 -0.04 0.39 -0.51 4.01 3.84 1zvjA1 GLY 77 HA3 -0.02 0.30 0.27 -0.51 4.01 4.05 1zvjA1 GLU 78 H -0.01 0.30 -0.10 -0.55 8.60 8.24 1zvjA1 GLU 78 HA -0.10 0.05 0.35 -0.75 4.29 3.84 1zvjA1 GLU 78 HB2 -0.35 0.00 0.11 -0.04 2.09 1.81 1zvjA1 GLU 78 HB3 0.03 0.02 0.08 -0.04 1.99 2.07 1zvjA1 GLU 78 HG2 -0.88 0.03 -0.01 -0.04 2.34 1.44 1zvjA1 GLU 78 HG3 -0.06 -0.03 -0.11 -0.04 2.34 2.11 1zvjA1 VAL 79 H 0.15 0.34 -0.25 -0.55 8.24 7.93 1zvjA1 VAL 79 HA 0.15 0.07 0.20 -0.75 4.13 3.79 1zvjA1 VAL 79 HB 0.20 0.10 -0.00 -0.04 2.12 2.38 1zvjA1 VAL 79 HG13 0.34 -0.05 -0.36 -0.04 0.97 0.87 1zvjA1 VAL 79 HG23 0.32 0.01 -0.24 -0.04 0.95 1.00 1zvjA1 GLU 80 H 0.04 0.59 -0.05 -0.55 8.60 8.63 1zvjA1 GLU 80 HA -0.03 0.04 0.46 -0.75 4.29 4.01 1zvjA1 GLU 80 HB2 -0.06 0.07 0.07 -0.04 2.09 2.14 1zvjA1 GLU 80 HB3 -0.10 0.01 0.12 -0.04 1.99 1.98 1zvjA1 GLU 80 HG2 0.10 -0.13 0.08 -0.04 2.34 2.36 1zvjA1 GLU 80 HG3 0.09 0.14 0.13 -0.04 2.34 2.66 1zvjA1 LEU 81 H -0.06 0.53 -0.19 -0.55 8.37 8.10 1zvjA1 LEU 81 HA -0.16 0.02 0.51 -0.75 4.35 3.96 1zvjA1 LEU 81 HB2 -0.10 0.03 0.06 -0.04 1.64 1.59 1zvjA1 LEU 81 HB3 -0.10 0.10 0.08 -0.04 1.64 1.68 1zvjA1 LEU 81 HG -0.19 -0.02 -0.25 -0.04 1.64 1.13 1zvjA1 LEU 81 HD13 -0.16 -0.01 -0.07 -0.04 0.93 0.65 1zvjA1 LEU 81 HD23 -0.16 0.00 -0.21 -0.04 0.89 0.48 1zvjA1 ASP 82 H -0.04 0.48 -0.28 -0.55 8.40 8.01 1zvjA1 ASP 82 HA -0.05 0.05 0.23 -0.75 4.63 4.11 1zvjA1 ASP 82 HB2 0.04 0.08 0.10 -0.04 2.71 2.88 1zvjA1 ASP 82 HB3 0.05 -0.05 -0.03 -0.04 2.70 2.62 1zvjA1 ILE 83 H -0.04 0.38 -0.15 -0.55 8.25 7.89 1zvjA1 ILE 83 HA -0.11 0.10 0.41 -0.75 4.18 3.83 1zvjA1 ILE 83 HB -0.12 -0.01 0.05 -0.04 1.89 1.77 1zvjA1 ILE 83 HG12 -0.12 0.03 -0.09 -0.04 1.49 1.26 1zvjA1 ILE 83 HG13 -0.04 0.05 -0.02 -0.04 1.21 1.16 1zvjA1 ILE 83 HG23 -0.20 0.00 -0.15 -0.04 0.93 0.54 1zvjA1 ILE 83 HD13 -0.31 -0.04 -0.15 -0.04 0.88 0.35 1zvjA1 GLU 84 H -0.12 0.45 -0.30 -0.55 8.60 8.08 1zvjA1 GLU 84 HA 0.04 0.08 0.43 -0.75 4.29 4.09 1zvjA1 GLU 84 HB2 -0.31 0.18 0.22 -0.04 2.09 2.14 1zvjA1 GLU 84 HB3 -0.46 -0.01 0.00 -0.04 1.99 1.48 1zvjA1 GLU 84 HG2 -0.85 -0.01 0.05 -0.04 2.34 1.49 1zvjA1 GLU 84 HG3 -0.41 -0.08 0.04 -0.04 2.34 1.85 1zvjA1 VAL 85 H -0.07 0.57 -0.10 -0.55 8.24 8.08 1zvjA1 VAL 85 HA 0.05 0.03 0.46 -0.75 4.13 3.92 1zvjA1 VAL 85 HB -0.14 0.06 0.08 -0.04 2.12 2.08 1zvjA1 VAL 85 HG13 -0.15 0.02 -0.17 -0.04 0.97 0.63 1zvjA1 VAL 85 HG23 -0.31 0.00 0.01 -0.04 0.95 0.61 1zvjA1 ALA 86 H 0.03 0.42 -0.16 -0.55 8.40 8.15 1zvjA1 ALA 86 HA 0.16 0.11 0.32 -0.75 4.34 4.18 1zvjA1 ALA 86 HB3 0.25 -0.02 0.03 -0.04 1.41 1.63 1zvjA1 GLY 87 H -0.05 0.35 -0.41 -0.55 8.43 7.77 1zvjA1 GLY 87 HA2 -0.36 0.11 0.25 -0.51 4.01 3.51 1zvjA1 GLY 87 HA3 -0.47 0.09 0.24 -0.51 4.01 3.37 1zvjA1 ALA 88 H 0.22 0.40 -0.41 -0.55 8.40 8.07 1zvjA1 ALA 88 HA 0.11 0.10 0.48 -0.75 4.34 4.28 1zvjA1 ALA 88 HB3 0.27 -0.04 0.10 -0.04 1.41 1.69 1zvjA1 LEU 89 H 0.13 0.22 -0.51 -0.55 8.37 7.66 1zvjA1 LEU 89 HA 0.10 0.11 0.70 -0.75 4.35 4.51 1zvjA1 LEU 89 HB2 0.15 0.15 0.08 -0.04 1.64 1.99 1zvjA1 LEU 89 HB3 0.26 -0.02 -0.06 -0.04 1.64 1.78 1zvjA1 LEU 89 HG 0.03 -0.01 -0.02 -0.04 1.64 1.60 1zvjA1 LEU 89 HD13 0.02 0.03 -0.39 -0.04 0.93 0.54 1zvjA1 LEU 89 HD23 -0.02 0.01 -0.03 -0.04 0.89 0.80 1zvjA1 ALA 90 H 0.18 0.45 -0.15 -0.55 8.40 8.33 1zvjA1 ALA 90 HA 0.10 0.14 0.66 -0.75 4.34 4.49 1zvjA1 ALA 90 HB3 0.13 -0.01 0.05 -0.04 1.41 1.54 1zvjA1 PRO 91 HA -0.03 0.11 0.41 -0.51 4.44 4.42 1zvjA1 PRO 91 HB2 -0.08 -0.06 0.02 -0.04 2.28 2.13 1zvjA1 PRO 91 HB3 -0.13 0.16 0.09 -0.04 2.02 2.10 1zvjA1 PRO 91 HG2 0.00 -0.08 -0.07 -0.04 2.03 1.84 1zvjA1 PRO 91 HG3 -0.00 0.01 -0.02 -0.04 2.03 1.98 1zvjA1 PRO 91 HD2 0.05 0.08 -0.08 -0.04 3.68 3.70 1zvjA1 PRO 91 HD3 0.05 0.16 -0.59 -0.04 3.65 3.22 1zvjA1 GLY 92 H 0.04 0.66 -0.34 -0.55 8.43 8.24 1zvjA1 GLY 92 HA2 0.01 0.06 0.60 -0.51 4.01 4.17 1zvjA1 GLY 92 HA3 0.01 -0.21 0.04 -0.51 4.01 3.35 1zvjA1 ALA 93 H 0.05 0.33 -0.24 -0.55 8.40 8.00 1zvjA1 ALA 93 HA -0.06 0.11 0.55 -0.75 4.34 4.19 1zvjA1 ALA 93 HB3 -0.23 0.00 0.04 -0.04 1.41 1.18 1zvjA1 LYS 94 H -0.13 0.61 0.41 -0.55 8.42 8.76 1zvjA1 LYS 94 HA 0.04 0.10 0.81 -0.75 4.32 4.53 1zvjA1 LYS 94 HB2 -0.02 0.01 0.09 -0.04 1.87 1.91 1zvjA1 LYS 94 HB3 -0.06 -0.04 0.12 -0.04 1.79 1.78 1zvjA1 LYS 94 HG2 0.03 0.05 -0.16 -0.04 1.46 1.34 1zvjA1 LYS 94 HG3 0.03 -0.06 -0.01 -0.04 1.46 1.37 1zvjA1 LYS 94 HD2 0.01 0.03 -0.13 -0.04 1.69 1.55 1zvjA1 LYS 94 HD3 0.02 -0.09 -0.10 -0.04 1.68 1.47 1zvjA1 LYS 94 HE2 0.01 -0.07 -0.05 -0.04 2.99 2.84 1zvjA1 LYS 94 HE3 -0.00 0.02 -0.05 -0.04 2.99 2.92 1zvjA1 PHE 95 H 0.26 0.70 0.28 -0.55 8.34 9.03 1zvjA1 PHE 95 HA 0.02 0.31 1.03 -0.75 4.62 5.24 1zvjA1 PHE 95 HB2 -0.03 0.02 0.15 -0.04 3.15 3.25 1zvjA1 PHE 95 HB3 -0.01 -0.11 -0.04 -0.04 3.06 2.85 1zvjA1 PHE 95 HD2 -0.01 0.06 -0.14 -0.04 7.28 7.15 1zvjA1 PHE 95 HE2 -0.02 0.08 -0.18 -0.04 7.38 7.22 1zvjA1 PHE 95 HZ 0.00 0.16 -0.34 -0.04 7.32 7.09 1zvjA1 ALA 96 H 0.11 0.67 0.30 -0.55 8.40 8.93 1zvjA1 ALA 96 HA 0.02 0.19 0.90 -0.75 4.34 4.70 1zvjA1 ALA 96 HB3 0.07 0.00 -0.03 -0.04 1.41 1.41 1zvjA1 VAL 97 H 0.03 0.90 0.31 -0.55 8.24 8.92 1zvjA1 VAL 97 HA 0.08 0.27 0.98 -0.75 4.13 4.70 1zvjA1 VAL 97 HB 0.33 -0.10 0.09 -0.04 2.12 2.41 1zvjA1 VAL 97 HG13 -0.24 -0.01 -0.20 -0.04 0.97 0.47 1zvjA1 VAL 97 HG23 0.04 0.01 -0.22 -0.04 0.95 0.74 1zvjA1 TYR 98 H 0.29 0.55 0.27 -0.55 8.29 8.85 1zvjA1 TYR 98 HA 0.08 0.10 0.79 -0.75 4.56 4.78 1zvjA1 TYR 98 HB2 0.00 -0.03 0.18 -0.04 3.06 3.17 1zvjA1 TYR 98 HB3 0.03 0.01 -0.01 -0.04 2.98 2.97 1zvjA1 TYR 98 HD2 0.04 0.06 -0.08 -0.04 7.15 7.14 1zvjA1 TYR 98 HE2 0.04 0.05 -0.15 -0.04 6.85 6.76 1zvjA1 PHE 99 H 0.31 0.62 0.35 -0.55 8.34 9.06 1zvjA1 PHE 99 HA -0.01 0.31 1.00 -0.75 4.62 5.16 1zvjA1 PHE 99 HB2 -0.00 -0.04 -0.10 -0.04 3.15 2.96 1zvjA1 PHE 99 HB3 -0.03 -0.01 -0.17 -0.04 3.06 2.81 1zvjA1 PHE 99 HD2 0.01 0.04 -0.09 -0.04 7.28 7.19 1zvjA1 PHE 99 HE2 0.14 0.06 -0.14 -0.04 7.38 7.39 1zvjA1 PHE 99 HZ 0.23 -0.13 -0.10 -0.04 7.32 7.28 1zvjA1 ALA 100 H -0.03 0.54 0.35 -0.55 8.40 8.72 1zvjA1 ALA 100 HA 0.04 0.28 0.70 -0.75 4.34 4.61 1zvjA1 ALA 100 HB3 0.01 -0.04 -0.10 -0.04 1.41 1.25 1zvjA1 PRO 101 HA -0.06 0.10 0.45 -0.51 4.44 4.42 1zvjA1 PRO 101 HB2 -0.02 -0.15 0.02 -0.04 2.28 2.09 1zvjA1 PRO 101 HB3 -0.02 0.06 0.09 -0.04 2.02 2.11 1zvjA1 PRO 101 HG2 0.00 0.05 0.12 -0.04 2.03 2.16 1zvjA1 PRO 101 HG3 -0.00 0.12 0.07 -0.04 2.03 2.17 1zvjA1 PRO 101 HD2 0.01 -0.06 0.21 -0.04 3.68 3.80 1zvjA1 PRO 101 HD3 0.02 0.41 0.28 -0.04 3.65 4.31 1zvjA1 ASN 102 H -0.09 0.16 0.16 -0.55 8.53 8.21 1zvjA1 ASN 102 HA -0.24 0.11 0.53 -0.75 4.76 4.41 1zvjA1 ASN 102 HB2 -0.19 0.37 0.30 -0.04 2.88 3.32 1zvjA1 ASN 102 HB3 -0.05 -0.06 0.29 -0.04 2.79 2.93 1zvjA1 ASN 102 HD21 0.21 -0.01 0.07 -0.04 7.03 7.26 1zvjA1 ASN 102 HD22 0.11 -0.01 0.12 -0.04 7.74 7.92 1zvjA1 THR 103 H -0.05 0.55 -0.05 -0.55 8.28 8.18 1zvjA1 THR 103 HA -0.08 0.29 0.84 -0.75 4.39 4.69 1zvjA1 THR 103 HB -0.05 -0.07 0.15 -0.04 4.32 4.31 1zvjA1 THR 103 HG23 -0.03 0.04 -0.19 -0.04 1.22 0.99 1zvjA1 ASP 104 H -0.15 0.22 0.15 -0.55 8.40 8.08 1zvjA1 ASP 104 HA -0.39 0.14 0.36 -0.75 4.63 3.98 1zvjA1 ASP 104 HB2 -0.09 -0.01 0.19 -0.04 2.71 2.76 1zvjA1 ASP 104 HB3 0.00 -0.01 0.04 -0.04 2.70 2.69 1zvjA1 ALA 105 H 0.01 0.09 -0.13 -0.55 8.40 7.82 1zvjA1 ALA 105 HA 0.08 0.11 0.37 -0.75 4.34 4.14 1zvjA1 ALA 105 HB3 0.03 0.03 0.03 -0.04 1.41 1.46 1zvjA1 GLY 106 H 0.04 0.08 -0.16 -0.55 8.43 7.85 1zvjA1 GLY 106 HA2 0.06 0.09 0.57 -0.51 4.01 4.22 1zvjA1 GLY 106 HA3 0.03 0.12 0.33 -0.51 4.01 3.98 1zvjA1 PHE 107 H 0.20 0.50 -0.16 -0.55 8.34 8.32 1zvjA1 PHE 107 HA 0.03 0.07 0.41 -0.75 4.62 4.37 1zvjA1 PHE 107 HB2 0.04 0.10 0.05 -0.04 3.15 3.30 1zvjA1 PHE 107 HB3 0.26 0.07 0.07 -0.04 3.06 3.42 1zvjA1 PHE 107 HD2 0.23 -0.04 -0.08 -0.04 7.28 7.35 1zvjA1 PHE 107 HE2 0.39 0.00 -0.20 -0.04 7.38 7.54 1zvjA1 PHE 107 HZ 0.32 0.18 -0.11 -0.04 7.32 7.66 1zvjA1 LEU 108 H 0.25 0.47 -0.08 -0.55 8.37 8.46 1zvjA1 LEU 108 HA 0.04 0.05 0.41 -0.75 4.35 4.10 1zvjA1 LEU 108 HB2 0.14 -0.01 0.07 -0.04 1.64 1.80 1zvjA1 LEU 108 HB3 0.13 0.02 0.15 -0.04 1.64 1.89 1zvjA1 LEU 108 HG 0.03 0.04 -0.52 -0.04 1.64 1.15 1zvjA1 LEU 108 HD13 -0.05 -0.01 -0.15 -0.04 0.93 0.69 1zvjA1 LEU 108 HD23 0.04 -0.01 -0.05 -0.04 0.89 0.83 1zvjA1 ASP 109 H 0.10 0.36 -0.37 -0.55 8.40 7.95 1zvjA1 ASP 109 HA 0.05 0.05 0.35 -0.75 4.63 4.32 1zvjA1 ASP 109 HB2 0.06 0.02 0.17 -0.04 2.71 2.92 1zvjA1 ASP 109 HB3 0.05 -0.05 0.01 -0.04 2.70 2.67 1zvjA1 ALA 110 H 0.11 0.63 -0.19 -0.55 8.40 8.40 1zvjA1 ALA 110 HA 0.09 0.01 0.41 -0.75 4.34 4.10 1zvjA1 ALA 110 HB3 0.11 0.03 0.00 -0.04 1.41 1.51 1zvjA1 ILE 111 H 0.11 0.47 -0.27 -0.55 8.25 8.01 1zvjA1 ILE 111 HA -0.02 0.05 0.36 -0.75 4.18 3.81 1zvjA1 ILE 111 HB -0.01 0.07 0.15 -0.04 1.89 2.06 1zvjA1 ILE 111 HG12 0.18 0.02 -0.08 -0.04 1.49 1.57 1zvjA1 ILE 111 HG13 0.26 -0.03 -0.07 -0.04 1.21 1.33 1zvjA1 ILE 111 HG23 -0.19 0.00 -0.21 -0.04 0.93 0.50 1zvjA1 ILE 111 HD13 0.02 -0.02 -0.11 -0.04 0.88 0.73 1zvjA1 THR 112 H 0.00 0.63 -0.06 -0.55 8.28 8.30 1zvjA1 THR 112 HA 0.05 0.04 0.37 -0.75 4.39 4.09 1zvjA1 THR 112 HB 0.11 -0.03 0.03 -0.04 4.32 4.40 1zvjA1 THR 112 HG23 -0.01 0.13 0.05 -0.04 1.22 1.34 1zvjA1 THR 113 H 0.01 0.34 -0.54 -0.55 8.28 7.54 1zvjA1 THR 113 HA 0.09 0.03 0.35 -0.75 4.39 4.11 1zvjA1 THR 113 HB 0.06 0.05 0.14 -0.04 4.32 4.53 1zvjA1 THR 113 HG23 0.24 -0.02 -0.16 -0.04 1.22 1.24 1zvjA1 ALA 114 H -0.40 0.51 -0.05 -0.55 8.40 7.91 1zvjA1 ALA 114 HA -0.76 -0.03 0.38 -0.75 4.34 3.17 1zvjA1 ALA 114 HB3 -0.79 -0.00 0.03 -0.04 1.41 0.61 1zvjA1 ILE 115 H -0.18 0.45 -0.28 -0.55 8.25 7.68 1zvjA1 ILE 115 HA -0.14 0.10 0.22 -0.75 4.18 3.61 1zvjA1 ILE 115 HB -0.27 0.08 0.07 -0.04 1.89 1.72 1zvjA1 ILE 115 HG12 -0.11 -0.04 -0.09 -0.04 1.49 1.21 1zvjA1 ILE 115 HG13 -0.10 0.03 -0.11 -0.04 1.21 1.00 1zvjA1 ILE 115 HG23 -0.62 0.01 -0.27 -0.04 0.93 0.01 1zvjA1 ILE 115 HD13 -0.05 -0.06 -0.11 -0.04 0.88 0.62 1zvjA1 HIS 116 H -0.07 0.41 -0.17 -0.55 8.41 8.04 1zvjA1 HIS 116 HA -0.01 0.16 0.58 -0.75 4.63 4.60 1zvjA1 HIS 116 HB2 -0.01 0.02 0.03 -0.04 3.26 3.27 1zvjA1 HIS 116 HB3 -0.00 -0.08 0.09 -0.04 3.20 3.16 1zvjA1 HIS 116 HD2 -0.02 0.02 -0.04 -0.04 6.97 6.88 1zvjA1 HIS 116 HE1 -0.06 -0.12 0.02 -0.04 7.75 7.54 1zvjA1 ASP 117 H 0.03 0.32 -0.58 -0.55 8.40 7.63 1zvjA1 ASP 117 HA 0.11 -0.06 0.31 -0.75 4.63 4.23 1zvjA1 ASP 117 HB2 0.17 0.25 0.18 -0.04 2.71 3.27 1zvjA1 ASP 117 HB3 0.13 0.08 0.16 -0.04 2.70 3.03 1zvjA1 PRO 118 HA 0.04 0.20 0.48 -0.51 4.44 4.65 1zvjA1 PRO 118 HB2 0.03 -0.02 0.02 -0.04 2.28 2.27 1zvjA1 PRO 118 HB3 0.04 0.06 0.14 -0.04 2.02 2.22 1zvjA1 PRO 118 HG2 0.04 -0.07 0.07 -0.04 2.03 2.03 1zvjA1 PRO 118 HG3 0.04 0.00 0.08 -0.04 2.03 2.12 1zvjA1 PRO 118 HD2 0.08 -0.06 0.20 -0.04 3.68 3.86 1zvjA1 PRO 118 HD3 0.08 0.32 0.13 -0.04 3.65 4.13 1zvjA1 THR 119 H 0.06 0.01 -0.14 -0.55 8.28 7.66 1zvjA1 THR 119 HA 0.03 0.16 0.69 -0.75 4.39 4.51 1zvjA1 THR 119 HB 0.05 -0.11 0.11 -0.04 4.32 4.33 1zvjA1 THR 119 HG23 0.03 0.01 -0.10 -0.04 1.22 1.11 1zvjA1 LEU 120 H 0.08 -0.02 -0.08 -0.55 8.37 7.80 1zvjA1 LEU 120 HA 0.04 0.10 0.27 -0.75 4.35 4.01 1zvjA1 LEU 120 HB2 0.15 0.02 -0.04 -0.04 1.64 1.73 1zvjA1 LEU 120 HB3 0.07 0.03 -0.09 -0.04 1.64 1.61 1zvjA1 LEU 120 HG 0.05 -0.10 -0.03 -0.04 1.64 1.51 1zvjA1 LEU 120 HD13 -0.05 -0.01 -0.11 -0.04 0.93 0.73 1zvjA1 LEU 120 HD23 0.02 0.02 -0.17 -0.04 0.89 0.72 1zvjA1 LYS 121 H 0.06 0.17 -0.30 -0.55 8.42 7.80 1zvjA1 LYS 121 HA 0.03 0.22 0.28 -0.75 4.32 4.09 1zvjA1 LYS 121 HB2 0.01 -0.02 -0.01 -0.04 1.87 1.81 1zvjA1 LYS 121 HB3 0.01 0.00 0.02 -0.04 1.79 1.79 1zvjA1 LYS 121 HG2 0.03 0.05 -0.11 -0.04 1.46 1.39 1zvjA1 LYS 121 HG3 0.03 0.03 -0.69 -0.04 1.46 0.79 1zvjA1 LYS 121 HD2 0.01 -0.04 -0.04 -0.04 1.69 1.58 1zvjA1 LYS 121 HD3 0.02 -0.03 -0.00 -0.04 1.68 1.63 1zvjA1 LYS 121 HE2 0.01 -0.07 -0.04 -0.04 2.99 2.85 1zvjA1 LYS 121 HE3 0.01 -0.09 0.00 -0.04 2.99 2.87 1zvjA1 PRO 122 HA -0.01 0.11 0.54 -0.51 4.44 4.58 1zvjA1 PRO 122 HB2 0.00 0.05 0.02 -0.04 2.28 2.31 1zvjA1 PRO 122 HB3 0.05 -0.10 -0.14 -0.04 2.02 1.79 1zvjA1 PRO 122 HG2 -0.03 0.04 -0.11 -0.04 2.03 1.89 1zvjA1 PRO 122 HG3 0.01 -0.16 -0.07 -0.04 2.03 1.77 1zvjA1 PRO 122 HD2 0.03 0.28 0.14 -0.04 3.68 4.09 1zvjA1 PRO 122 HD3 0.12 -0.12 -0.14 -0.04 3.65 3.46 1zvjA1 SER 123 H -0.03 0.35 0.42 -0.55 8.46 8.66 1zvjA1 SER 123 HA -0.02 0.25 0.80 -0.75 4.49 4.77 1zvjA1 SER 123 HB2 -0.02 -0.03 0.21 -0.04 3.95 4.07 1zvjA1 SER 123 HB3 -0.02 0.09 0.14 -0.04 3.93 4.10 1zvjA1 VAL 124 H -0.02 0.27 0.21 -0.55 8.24 8.14 1zvjA1 VAL 124 HA -0.00 0.25 0.87 -0.75 4.13 4.50 1zvjA1 VAL 124 HB -0.02 -0.07 0.09 -0.04 2.12 2.07 1zvjA1 VAL 124 HG13 0.02 -0.00 -0.09 -0.04 0.97 0.86 1zvjA1 VAL 124 HG23 -0.02 0.01 -0.15 -0.04 0.95 0.76 1zvjA1 VAL 125 H 0.02 0.77 0.30 -0.55 8.24 8.78 1zvjA1 VAL 125 HA 0.04 0.30 1.01 -0.75 4.13 4.72 1zvjA1 VAL 125 HB 0.03 -0.05 0.06 -0.04 2.12 2.12 1zvjA1 VAL 125 HG13 0.05 -0.03 -0.23 -0.04 0.97 0.72 1zvjA1 VAL 125 HG23 -0.02 0.01 -0.33 -0.04 0.95 0.56 1zvjA1 SER 126 H 0.08 0.70 0.28 -0.55 8.46 8.97 1zvjA1 SER 126 HA 0.07 0.17 0.95 -0.75 4.49 4.92 1zvjA1 SER 126 HB2 0.08 0.05 -0.07 -0.04 3.95 3.96 1zvjA1 SER 126 HB3 0.10 -0.02 0.06 -0.04 3.93 4.03 1zvjA1 ILE 127 H 0.09 0.55 0.27 -0.55 8.25 8.61 1zvjA1 ILE 127 HA 0.22 0.07 1.01 -0.75 4.18 4.73 1zvjA1 ILE 127 HB 0.13 0.15 0.24 -0.04 1.89 2.38 1zvjA1 ILE 127 HG12 0.27 -0.04 -0.16 -0.04 1.49 1.52 1zvjA1 ILE 127 HG13 0.14 0.07 -0.48 -0.04 1.21 0.90 1zvjA1 ILE 127 HG23 0.43 -0.04 -0.06 -0.04 0.93 1.23 1zvjA1 ILE 127 HD13 0.19 -0.00 -0.15 -0.04 0.88 0.88 1zvjA1 SER 128 H 0.29 0.25 0.14 -0.55 8.46 8.59 1zvjA1 SER 128 HA 0.04 0.08 0.86 -0.75 4.49 4.72 1zvjA1 SER 128 HB2 -0.04 0.04 0.11 -0.04 3.95 4.02 1zvjA1 SER 128 HB3 -0.17 -0.10 0.27 -0.04 3.93 3.89 1zvjA1 TRP 129 H 0.41 0.17 -0.01 -0.55 7.97 7.98 1zvjA1 TRP 129 HA 0.06 0.19 0.78 -0.75 4.62 4.89 1zvjA1 TRP 129 HB2 -0.49 -0.00 -0.04 -0.04 3.23 2.66 1zvjA1 TRP 129 HB3 -0.22 0.01 0.05 -0.04 3.23 3.03 1zvjA1 TRP 129 HD1 -0.07 -0.06 -0.15 -0.04 7.22 6.90 1zvjA1 TRP 129 HE1 -0.06 0.09 0.00 -0.04 10.20 10.19 1zvjA1 TRP 129 HE3 -0.07 0.03 0.04 -0.04 7.59 7.56 1zvjA1 TRP 129 HZ2 -0.00 0.02 -0.08 -0.04 7.44 7.34 1zvjA1 TRP 129 HZ3 -0.02 0.03 0.01 -0.04 7.13 7.11 1zvjA1 TRP 129 HH2 0.00 -0.07 -0.08 -0.04 7.19 7.00 1zvjA1 GLY 130 H 0.42 0.30 0.18 -0.55 8.43 8.77 1zvjA1 GLY 130 HA2 0.95 0.05 0.37 -0.51 4.01 4.87 1zvjA1 GLY 130 HA3 0.48 0.10 0.42 -0.51 4.01 4.51 1zvjA1 GLY 131 H 0.81 0.62 0.32 -0.55 8.43 9.62 1zvjA1 GLY 131 HA2 0.27 0.14 0.50 -0.51 4.01 4.41 1zvjA1 GLY 131 HA3 0.29 0.05 0.33 -0.51 4.01 4.16 1zvjA1 PRO 132 HA 0.24 0.15 0.35 -0.51 4.44 4.67 1zvjA1 PRO 132 HB2 0.09 -0.07 0.03 -0.04 2.28 2.29 1zvjA1 PRO 132 HB3 0.04 0.07 0.04 -0.04 2.02 2.13 1zvjA1 PRO 132 HG2 0.04 0.04 0.04 -0.04 2.03 2.11 1zvjA1 PRO 132 HG3 0.08 0.21 0.06 -0.04 2.03 2.34 1zvjA1 PRO 132 HD2 0.14 0.11 0.20 -0.04 3.68 4.08 1zvjA1 PRO 132 HD3 0.16 0.22 0.18 -0.04 3.65 4.18 1zvjA1 GLU 133 H 0.25 0.69 0.34 -0.55 8.60 9.34 1zvjA1 GLU 133 HA 0.24 0.05 0.39 -0.75 4.29 4.22 1zvjA1 GLU 133 HB2 0.08 -0.00 0.03 -0.04 2.09 2.16 1zvjA1 GLU 133 HB3 0.26 0.04 -0.07 -0.04 1.99 2.18 1zvjA1 GLU 133 HG2 0.19 0.11 0.16 -0.04 2.34 2.76 1zvjA1 GLU 133 HG3 0.11 0.04 -0.10 -0.04 2.34 2.35 1zvjA1 ASP 134 H 0.15 0.07 -0.29 -0.55 8.40 7.78 1zvjA1 ASP 134 HA 0.07 0.16 0.52 -0.75 4.63 4.62 1zvjA1 ASP 134 HB2 0.04 0.05 0.09 -0.04 2.71 2.85 1zvjA1 ASP 134 HB3 0.08 0.01 0.05 -0.04 2.70 2.79 1zvjA1 SER 135 H 0.24 0.55 -0.52 -0.55 8.46 8.20 1zvjA1 SER 135 HA 0.05 0.17 0.78 -0.75 4.49 4.74 1zvjA1 SER 135 HB2 0.01 -0.03 0.10 -0.04 3.95 3.98 1zvjA1 SER 135 HB3 0.06 -0.08 -0.02 -0.04 3.93 3.84 1zvjA1 TRP 136 H 0.40 0.26 -0.19 -0.55 7.97 7.89 1zvjA1 TRP 136 HA 0.04 0.02 0.68 -0.75 4.62 4.61 1zvjA1 TRP 136 HB2 -0.10 0.19 0.09 -0.04 3.23 3.38 1zvjA1 TRP 136 HB3 -0.07 -0.05 0.01 -0.04 3.23 3.08 1zvjA1 TRP 136 HD1 0.13 0.23 -0.13 -0.04 7.22 7.42 1zvjA1 TRP 136 HE1 0.32 0.05 0.02 -0.04 10.20 10.55 1zvjA1 TRP 136 HE3 0.05 -0.11 -0.09 -0.04 7.59 7.40 1zvjA1 TRP 136 HZ2 0.35 0.06 -0.11 -0.04 7.44 7.69 1zvjA1 TRP 136 HZ3 0.04 0.04 -0.03 -0.04 7.13 7.14 1zvjA1 TRP 136 HH2 -0.50 0.02 -0.12 -0.04 7.19 6.55 1zvjA1 THR 137 H 0.14 0.01 0.15 -0.55 8.28 8.04 1zvjA1 THR 137 HA 0.06 0.26 0.59 -0.75 4.39 4.55 1zvjA1 THR 137 HB 0.04 0.02 0.17 -0.04 4.32 4.50 1zvjA1 THR 137 HG23 0.01 0.04 0.08 -0.04 1.22 1.31 1zvjA1 SER 138 H 0.03 0.21 0.18 -0.55 8.46 8.33 1zvjA1 SER 138 HA -0.01 0.18 0.43 -0.75 4.49 4.34 1zvjA1 SER 138 HB2 0.01 -0.04 0.15 -0.04 3.95 4.02 1zvjA1 SER 138 HB3 -0.01 0.06 0.02 -0.04 3.93 3.96 1zvjA1 ALA 139 H 0.03 0.09 -0.04 -0.55 8.40 7.94 1zvjA1 ALA 139 HA 0.02 0.15 0.47 -0.75 4.34 4.23 1zvjA1 ALA 139 HB3 0.02 0.03 0.05 -0.04 1.41 1.47 1zvjA1 ALA 140 H 0.10 -0.00 -0.58 -0.55 8.40 7.38 1zvjA1 ALA 140 HA 0.14 0.11 0.43 -0.75 4.34 4.26 1zvjA1 ALA 140 HB3 0.36 0.02 0.04 -0.04 1.41 1.79 1zvjA1 ILE 141 H 0.08 0.53 -0.16 -0.55 8.25 8.14 1zvjA1 ILE 141 HA -0.37 0.01 0.34 -0.75 4.18 3.41 1zvjA1 ILE 141 HB -0.07 0.12 0.20 -0.04 1.89 2.10 1zvjA1 ILE 141 HG12 -0.01 0.31 -0.03 -0.04 1.49 1.71 1zvjA1 ILE 141 HG13 -0.16 0.01 -0.04 -0.04 1.21 0.98 1zvjA1 ILE 141 HG23 -0.14 -0.00 -0.16 -0.04 0.93 0.58 1zvjA1 ILE 141 HD13 -0.66 0.01 0.01 -0.04 0.88 0.19 1zvjA1 ALA 142 H -0.00 0.51 -0.13 -0.55 8.40 8.23 1zvjA1 ALA 142 HA 0.04 0.04 0.30 -0.75 4.34 3.96 1zvjA1 ALA 142 HB3 0.01 0.02 0.07 -0.04 1.41 1.46 1zvjA1 ALA 143 H 0.01 0.47 -0.29 -0.55 8.40 8.05 1zvjA1 ALA 143 HA -0.03 0.04 0.42 -0.75 4.34 4.02 1zvjA1 ALA 143 HB3 0.01 -0.00 0.10 -0.04 1.41 1.48 1zvjA1 MET 144 H -0.02 0.72 -0.12 -0.55 8.47 8.51 1zvjA1 MET 144 HA -0.36 0.01 0.42 -0.75 4.52 3.83 1zvjA1 MET 144 HB2 0.13 0.09 0.13 -0.04 2.15 2.46 1zvjA1 MET 144 HB3 -0.29 -0.05 0.01 -0.04 2.03 1.66 1zvjA1 MET 144 HG2 0.05 0.02 0.07 -0.04 2.63 2.73 1zvjA1 MET 144 HG3 0.01 -0.08 -0.08 -0.04 2.56 2.36 1zvjA1 MET 144 HE3 -0.57 -0.00 -0.12 -0.04 2.10 1.37 1zvjA1 ASN 145 H 0.04 0.64 -0.09 -0.55 8.53 8.57 1zvjA1 ASN 145 HA 0.19 -0.01 0.42 -0.75 4.76 4.60 1zvjA1 ASN 145 HB2 0.16 0.10 0.11 -0.04 2.88 3.21 1zvjA1 ASN 145 HB3 0.07 0.04 -0.03 -0.04 2.79 2.83 1zvjA1 ASN 145 HD21 0.17 -0.03 0.03 -0.04 7.03 7.17 1zvjA1 ASN 145 HD22 0.17 0.04 -0.01 -0.04 7.74 7.90 1zvjA1 ARG 146 H -0.07 0.53 -0.26 -0.55 8.46 8.11 1zvjA1 ARG 146 HA -0.10 0.03 0.47 -0.75 4.34 3.98 1zvjA1 ARG 146 HB2 -0.04 -0.03 0.10 -0.04 1.90 1.88 1zvjA1 ARG 146 HB3 -0.06 0.11 0.19 -0.04 1.80 2.00 1zvjA1 ARG 146 HG2 -0.04 -0.03 -0.04 -0.04 1.67 1.53 1zvjA1 ARG 146 HG3 -0.04 0.00 -0.26 -0.04 1.67 1.33 1zvjA1 ARG 146 HD2 -0.04 -0.02 0.02 -0.04 3.22 3.15 1zvjA1 ARG 146 HD3 -0.03 -0.01 -0.01 -0.04 3.22 3.13 1zvjA1 ALA 147 H -0.21 0.45 -0.21 -0.55 8.40 7.88 1zvjA1 ALA 147 HA -0.08 0.04 0.43 -0.75 4.34 3.98 1zvjA1 ALA 147 HB3 -0.32 0.03 0.06 -0.04 1.41 1.14 1zvjA1 PHE 148 H -0.46 0.58 -0.05 -0.55 8.34 7.86 1zvjA1 PHE 148 HA -0.12 0.05 0.47 -0.75 4.62 4.27 1zvjA1 PHE 148 HB2 -0.12 0.02 0.09 -0.04 3.15 3.10 1zvjA1 PHE 148 HB3 -0.07 0.06 -0.04 -0.04 3.06 2.96 1zvjA1 PHE 148 HD2 -0.09 -0.03 -0.13 -0.04 7.28 6.99 1zvjA1 PHE 148 HE2 -0.29 -0.06 -0.12 -0.04 7.38 6.87 1zvjA1 PHE 148 HZ -0.33 -0.07 -0.09 -0.04 7.32 6.79 1zvjA1 LEU 149 H -0.17 0.50 -0.30 -0.55 8.37 7.86 1zvjA1 LEU 149 HA -0.51 -0.00 0.50 -0.75 4.35 3.58 1zvjA1 LEU 149 HB2 -0.25 0.17 0.27 -0.04 1.64 1.79 1zvjA1 LEU 149 HB3 -0.19 0.02 0.04 -0.04 1.64 1.47 1zvjA1 LEU 149 HG -0.88 -0.04 0.04 -0.04 1.64 0.72 1zvjA1 LEU 149 HD13 -0.16 -0.02 -0.01 -0.04 0.93 0.70 1zvjA1 LEU 149 HD23 -0.27 -0.01 0.03 -0.04 0.89 0.61 1zvjA1 ASP 150 H -0.11 0.52 -0.14 -0.55 8.40 8.12 1zvjA1 ASP 150 HA -0.05 -0.02 0.40 -0.75 4.63 4.21 1zvjA1 ASP 150 HB2 -0.06 0.16 0.22 -0.04 2.71 2.98 1zvjA1 ASP 150 HB3 -0.06 -0.00 -0.04 -0.04 2.70 2.56 1zvjA1 ALA 151 H -0.08 0.49 -0.16 -0.55 8.40 8.11 1zvjA1 ALA 151 HA -0.08 0.05 0.38 -0.75 4.34 3.94 1zvjA1 ALA 151 HB3 0.01 0.03 0.06 -0.04 1.41 1.47 1zvjA1 ALA 152 H -0.08 0.57 -0.07 -0.55 8.40 8.28 1zvjA1 ALA 152 HA 0.02 -0.04 0.46 -0.75 4.34 4.03 1zvjA1 ALA 152 HB3 -0.13 0.02 0.16 -0.04 1.41 1.42 1zvjA1 ALA 153 H -0.05 0.47 -0.15 -0.55 8.40 8.12 1zvjA1 ALA 153 HA -0.00 -0.01 0.44 -0.75 4.34 4.02 1zvjA1 ALA 153 HB3 -0.02 -0.01 0.10 -0.04 1.41 1.44 1zvjA1 LEU 154 H -0.03 0.46 -0.30 -0.55 8.37 7.95 1zvjA1 LEU 154 HA -0.01 0.06 0.63 -0.75 4.35 4.28 1zvjA1 LEU 154 HB2 -0.05 0.04 0.09 -0.04 1.64 1.68 1zvjA1 LEU 154 HB3 -0.03 0.01 0.11 -0.04 1.64 1.69 1zvjA1 LEU 154 HG -0.03 0.06 -0.03 -0.04 1.64 1.59 1zvjA1 LEU 154 HD13 -0.08 -0.02 -0.12 -0.04 0.93 0.67 1zvjA1 LEU 154 HD23 0.00 -0.02 -0.05 -0.04 0.89 0.79 1zvjA1 GLY 155 H 0.00 0.38 -0.30 -0.55 8.43 7.96 1zvjA1 GLY 155 HA2 0.01 -0.03 0.24 -0.51 4.01 3.72 1zvjA1 GLY 155 HA3 -0.00 0.07 0.39 -0.51 4.01 3.96 1zvjA1 VAL 156 H -0.01 0.52 -0.11 -0.55 8.24 8.09 1zvjA1 VAL 156 HA -0.01 0.39 0.83 -0.75 4.13 4.59 1zvjA1 VAL 156 HB -0.03 -0.16 -0.03 -0.04 2.12 1.86 1zvjA1 VAL 156 HG13 -0.02 -0.06 -0.60 -0.04 0.97 0.25 1zvjA1 VAL 156 HG23 -0.04 0.05 -0.15 -0.04 0.95 0.78 1zvjA1 THR 157 H 0.00 0.55 0.26 -0.55 8.28 8.55 1zvjA1 THR 157 HA 0.04 0.09 0.48 -0.75 4.39 4.25 1zvjA1 THR 157 HB 0.01 -0.09 0.19 -0.04 4.32 4.39 1zvjA1 THR 157 HG23 0.00 -0.03 -0.12 -0.04 1.22 1.03 1zvjA1 VAL 158 H 0.02 0.23 0.15 -0.55 8.24 8.09 1zvjA1 VAL 158 HA 0.01 0.23 1.05 -0.75 4.13 4.66 1zvjA1 VAL 158 HB -0.14 0.00 0.15 -0.04 2.12 2.08 1zvjA1 VAL 158 HG13 -0.05 -0.02 -0.15 -0.04 0.97 0.71 1zvjA1 VAL 158 HG23 0.08 0.03 -0.14 -0.04 0.95 0.88 1zvjA1 LEU 159 H 0.02 0.74 0.33 -0.55 8.37 8.92 1zvjA1 LEU 159 HA 0.01 0.19 0.94 -0.75 4.35 4.74 1zvjA1 LEU 159 HB2 0.06 -0.07 0.11 -0.04 1.64 1.70 1zvjA1 LEU 159 HB3 0.07 -0.02 0.01 -0.04 1.64 1.67 1zvjA1 LEU 159 HG 0.05 0.00 -0.25 -0.04 1.64 1.40 1zvjA1 LEU 159 HD13 0.05 0.01 -0.19 -0.04 0.93 0.76 1zvjA1 LEU 159 HD23 0.16 0.05 -0.19 -0.04 0.89 0.86 1zvjA1 ALA 160 H -0.00 0.63 0.16 -0.55 8.40 8.64 1zvjA1 ALA 160 HA 0.05 0.29 1.00 -0.75 4.34 4.93 1zvjA1 ALA 160 HB3 -0.05 0.01 -0.23 -0.04 1.41 1.09 1zvjA1 ALA 161 H 0.06 0.55 0.27 -0.55 8.40 8.74 1zvjA1 ALA 161 HA 0.04 0.16 0.59 -0.75 4.34 4.38 1zvjA1 ALA 161 HB3 0.03 -0.04 -0.11 -0.04 1.41 1.25 1zvjA1 ALA 162 H 0.08 0.79 0.35 -0.55 8.40 9.08 1zvjA1 ALA 162 HA 0.09 0.04 0.36 -0.75 4.34 4.07 1zvjA1 ALA 162 HB3 0.09 -0.02 -0.14 -0.04 1.41 1.30 1zvjA1 GLY 163 H 0.11 0.02 -0.25 -0.55 8.43 7.77 1zvjA1 GLY 163 HA2 0.12 0.04 0.22 -0.51 4.01 3.88 1zvjA1 GLY 163 HA3 0.12 0.26 0.95 -0.51 4.01 4.83 1zvjA1 ASN 164 H 0.11 0.20 0.13 -0.55 8.53 8.42 1zvjA1 ASN 164 HA 0.33 0.22 0.99 -0.75 4.76 5.55 1zvjA1 ASN 164 HB2 0.13 0.07 0.08 -0.04 2.88 3.12 1zvjA1 ASN 164 HB3 0.36 0.08 0.19 -0.04 2.79 3.38 1zvjA1 ASN 164 HD21 0.01 -0.06 0.04 -0.04 7.03 6.98 1zvjA1 ASN 164 HD22 0.05 0.13 0.02 -0.04 7.74 7.90 1zvjA1 SER 165 H 0.04 0.06 -0.06 -0.55 8.46 7.96 1zvjA1 SER 165 HA -0.08 0.22 0.95 -0.75 4.49 4.82 1zvjA1 SER 165 HB2 0.05 -0.05 -0.08 -0.04 3.95 3.82 1zvjA1 SER 165 HB3 0.02 -0.06 0.14 -0.04 3.93 3.99 1zvjA1 GLY 166 H -0.13 0.49 -0.47 -0.55 8.43 7.78 1zvjA1 GLY 166 HA2 -0.08 0.34 0.14 -0.51 4.01 3.91 1zvjA1 GLY 166 HA3 -0.05 -0.12 0.28 -0.51 4.01 3.61 1zvjA1 SER 167 H 0.07 0.38 0.43 -0.55 8.46 8.79 1zvjA1 SER 167 HA 0.19 0.29 0.57 -0.75 4.49 4.78 1zvjA1 SER 167 HB2 0.21 -0.06 0.15 -0.04 3.95 4.21 1zvjA1 SER 167 HB3 0.18 -0.02 0.19 -0.04 3.93 4.24 1zvjA1 THR 168 H 0.11 0.06 -0.10 -0.55 8.28 7.80 1zvjA1 THR 168 HA 0.15 0.16 1.04 -0.75 4.39 4.98 1zvjA1 THR 168 HB 0.08 0.15 0.09 -0.04 4.32 4.60 1zvjA1 THR 168 HG23 -0.09 0.12 0.00 -0.04 1.22 1.20 1zvjA1 ASP 169 H 0.10 0.33 -0.19 -0.55 8.40 8.09 1zvjA1 ASP 169 HA 0.10 -0.02 0.17 -0.75 4.63 4.13 1zvjA1 ASP 169 HB2 0.19 0.26 -0.38 -0.04 2.71 2.74 1zvjA1 ASP 169 HB3 0.18 0.03 -0.10 -0.04 2.70 2.77 1zvjA1 GLY 170 H 0.06 0.18 -0.13 -0.55 8.43 7.99 1zvjA1 GLY 170 HA2 0.04 0.02 0.30 -0.51 4.01 3.85 1zvjA1 GLY 170 HA3 0.05 0.11 0.60 -0.51 4.01 4.27 1zvjA1 GLU 171 H 0.08 0.33 -0.54 -0.55 8.60 7.92 1zvjA1 GLU 171 HA -0.00 0.10 0.72 -0.75 4.29 4.36 1zvjA1 GLU 171 HB2 0.18 0.22 0.10 -0.04 2.09 2.54 1zvjA1 GLU 171 HB3 -0.08 -0.18 0.07 -0.04 1.99 1.76 1zvjA1 GLU 171 HG2 -0.06 0.02 -0.09 -0.04 2.34 2.17 1zvjA1 GLU 171 HG3 -0.31 0.06 -0.00 -0.04 2.34 2.04 1zvjA1 GLN 172 H 0.01 0.16 0.14 -0.55 8.47 8.23 1zvjA1 GLN 172 HA 0.01 0.18 0.74 -0.75 4.36 4.53 1zvjA1 GLN 172 HB2 0.00 0.02 0.20 -0.04 2.15 2.34 1zvjA1 GLN 172 HB3 0.01 0.06 0.03 -0.04 2.02 2.08 1zvjA1 GLN 172 HG2 0.01 0.08 0.03 -0.04 2.40 2.47 1zvjA1 GLN 172 HG3 0.00 -0.10 0.13 -0.04 2.39 2.38 1zvjA1 GLN 172 HE21 0.00 0.00 -0.01 -0.04 6.97 6.92 1zvjA1 GLN 172 HE22 -0.00 -0.00 0.01 -0.04 7.69 7.65 1zvjA1 ASP 173 H 0.05 0.10 -0.10 -0.55 8.40 7.91 1zvjA1 ASP 173 HA 0.01 0.22 0.66 -0.75 4.63 4.77 1zvjA1 ASP 173 HB2 0.04 0.07 0.14 -0.04 2.71 2.91 1zvjA1 ASP 173 HB3 0.02 -0.01 0.05 -0.04 2.70 2.72 1zvjA1 GLY 174 H -0.00 0.07 -0.27 -0.55 8.43 7.69 1zvjA1 GLY 174 HA2 -0.09 0.01 0.23 -0.51 4.01 3.65 1zvjA1 GLY 174 HA3 -0.06 0.18 0.56 -0.51 4.01 4.18 1zvjA1 LEU 175 H 0.02 -0.08 -0.26 -0.55 8.37 7.51 1zvjA1 LEU 175 HA -0.28 0.22 0.75 -0.75 4.35 4.28 1zvjA1 LEU 175 HB2 -0.04 -0.08 -0.08 -0.04 1.64 1.39 1zvjA1 LEU 175 HB3 -0.28 0.08 0.07 -0.04 1.64 1.47 1zvjA1 LEU 175 HG 0.09 -0.03 -0.08 -0.04 1.64 1.58 1zvjA1 LEU 175 HD13 0.00 0.01 0.01 -0.04 0.93 0.91 1zvjA1 LEU 175 HD23 -0.03 0.04 -0.28 -0.04 0.89 0.57 1zvjA1 TYR 176 H -0.20 0.11 0.14 -0.55 8.29 7.79 1zvjA1 TYR 176 HA -0.12 0.18 0.85 -0.75 4.56 4.72 1zvjA1 TYR 176 HB2 -0.04 -0.12 0.12 -0.04 3.06 2.97 1zvjA1 TYR 176 HB3 0.05 0.15 0.11 -0.04 2.98 3.25 1zvjA1 TYR 176 HD2 -0.08 -0.00 -0.16 -0.04 7.15 6.87 1zvjA1 TYR 176 HE2 -0.11 -0.02 -0.06 -0.04 6.85 6.62 1zvjA1 HIS 177 H 0.17 0.70 0.37 -0.55 8.41 9.10 1zvjA1 HIS 177 HA 0.15 0.09 0.83 -0.75 4.63 4.94 1zvjA1 HIS 177 HB2 0.11 0.12 -0.17 -0.04 3.26 3.29 1zvjA1 HIS 177 HB3 0.12 -0.13 -0.01 -0.04 3.20 3.14 1zvjA1 HIS 177 HD2 0.03 0.23 -0.03 -0.04 6.97 7.16 1zvjA1 HIS 177 HE1 0.03 0.01 -0.09 -0.04 7.75 7.66 1zvjA1 VAL 178 H 0.24 0.08 0.14 -0.55 8.24 8.14 1zvjA1 VAL 178 HA 0.18 0.27 0.88 -0.75 4.13 4.71 1zvjA1 VAL 178 HB 0.16 0.10 -0.12 -0.04 2.12 2.22 1zvjA1 VAL 178 HG13 0.12 0.04 -0.49 -0.04 0.97 0.60 1zvjA1 VAL 178 HG23 0.18 -0.02 -0.11 -0.04 0.95 0.95 1zvjA1 ASP 179 H 0.17 0.26 0.07 -0.55 8.40 8.35 1zvjA1 ASP 179 HA 0.26 0.01 0.33 -0.75 4.63 4.47 1zvjA1 ASP 179 HB2 0.17 0.11 0.02 -0.04 2.71 2.97 1zvjA1 ASP 179 HB3 0.16 0.02 -0.16 -0.04 2.70 2.68 1zvjA1 PHE 180 H 0.42 0.78 0.18 -0.55 8.34 9.17 1zvjA1 PHE 180 HA -0.03 -0.13 0.69 -0.75 4.62 4.40 1zvjA1 PHE 180 HB2 -0.08 -0.04 0.01 -0.04 3.15 2.99 1zvjA1 PHE 180 HB3 -0.61 0.10 0.06 -0.04 3.06 2.56 1zvjA1 PHE 180 HD2 -1.24 -0.02 -0.14 -0.04 7.28 5.83 1zvjA1 PHE 180 HE2 -0.49 0.02 -0.07 -0.04 7.38 6.80 1zvjA1 PHE 180 HZ -0.02 0.04 -0.05 -0.04 7.32 7.25 1zvjA1 PRO 181 HA -2.31 -0.02 0.26 -0.51 4.44 1.86 1zvjA1 PRO 181 HB2 -0.66 0.09 -0.05 -0.04 2.28 1.62 1zvjA1 PRO 181 HB3 -0.74 0.01 0.00 -0.04 2.02 1.26 1zvjA1 PRO 181 HG2 -0.06 0.08 -0.09 -0.04 2.03 1.92 1zvjA1 PRO 181 HG3 -0.10 0.03 -0.01 -0.04 2.03 1.91 1zvjA1 PRO 181 HD2 0.25 0.27 0.15 -0.04 3.68 4.32 1zvjA1 PRO 181 HD3 0.20 0.05 0.40 -0.04 3.65 4.26 1zvjA1 ALA 182 H -0.05 0.14 -0.29 -0.55 8.40 7.65 1zvjA1 ALA 182 HA -0.12 0.10 0.23 -0.75 4.34 3.80 1zvjA1 ALA 182 HB3 0.05 0.05 -0.15 -0.04 1.41 1.32 1zvjA1 ALA 183 H 0.03 0.04 -0.16 -0.55 8.40 7.77 1zvjA1 ALA 183 HA 0.09 0.15 0.23 -0.75 4.34 4.06 1zvjA1 ALA 183 HB3 0.36 -0.05 -0.08 -0.04 1.41 1.59 1zvjA1 SER 184 H -0.29 0.14 -0.35 -0.55 8.46 7.41 1zvjA1 SER 184 HA -0.85 0.03 0.43 -0.75 4.49 3.36 1zvjA1 SER 184 HB2 -0.02 -0.07 0.04 -0.04 3.95 3.86 1zvjA1 SER 184 HB3 -0.45 0.18 0.02 -0.04 3.93 3.63 1zvjA1 PRO 185 HA 0.11 0.19 0.48 -0.51 4.44 4.71 1zvjA1 PRO 185 HB2 0.04 -0.00 0.05 -0.04 2.28 2.32 1zvjA1 PRO 185 HB3 -0.12 0.07 0.14 -0.04 2.02 2.06 1zvjA1 PRO 185 HG2 -0.02 0.02 0.05 -0.04 2.03 2.04 1zvjA1 PRO 185 HG3 -0.01 0.04 0.08 -0.04 2.03 2.10 1zvjA1 PRO 185 HD2 -0.38 -0.01 0.23 -0.04 3.68 3.48 1zvjA1 PRO 185 HD3 -0.63 0.15 0.22 -0.04 3.65 3.35 1zvjA1 TYR 186 H 0.05 -0.01 -0.36 -0.55 8.29 7.43 1zvjA1 TYR 186 HA -0.13 0.14 0.37 -0.75 4.56 4.19 1zvjA1 TYR 186 HB2 -0.07 -0.08 -0.02 -0.04 3.06 2.86 1zvjA1 TYR 186 HB3 -0.24 0.07 -0.00 -0.04 2.98 2.77 1zvjA1 TYR 186 HD2 -0.52 -0.01 -0.00 -0.04 7.15 6.57 1zvjA1 TYR 186 HE2 -0.08 0.01 -0.02 -0.04 6.85 6.72 1zvjA1 VAL 187 H -0.09 0.37 -0.65 -0.55 8.24 7.32 1zvjA1 VAL 187 HA -0.17 0.24 0.96 -0.75 4.13 4.40 1zvjA1 VAL 187 HB -0.40 0.07 -0.07 -0.04 2.12 1.68 1zvjA1 VAL 187 HG13 -0.18 -0.04 -0.46 -0.04 0.97 0.25 1zvjA1 VAL 187 HG23 -1.00 -0.04 -0.24 -0.04 0.95 -0.36 1zvjA1 LEU 188 H -0.04 0.83 0.35 -0.55 8.37 8.95 1zvjA1 LEU 188 HA 0.03 0.09 0.74 -0.75 4.35 4.46 1zvjA1 LEU 188 HB2 -0.01 -0.02 0.06 -0.04 1.64 1.63 1zvjA1 LEU 188 HB3 0.02 -0.01 0.19 -0.04 1.64 1.79 1zvjA1 LEU 188 HG 0.04 -0.02 -0.08 -0.04 1.64 1.53 1zvjA1 LEU 188 HD13 0.05 -0.01 -0.23 -0.04 0.93 0.71 1zvjA1 LEU 188 HD23 -0.06 0.01 -0.08 -0.04 0.89 0.72 1zvjA1 ALA 189 H 0.08 0.27 0.19 -0.55 8.40 8.41 1zvjA1 ALA 189 HA 0.03 0.17 0.50 -0.75 4.34 4.29 1zvjA1 ALA 189 HB3 0.08 0.05 0.10 -0.04 1.41 1.60 1zvjA1 CYS 190 H 0.06 0.63 0.35 -0.55 8.50 8.99 1zvjA1 CYS 190 HA 0.13 0.23 0.80 -0.75 4.58 4.98 1zvjA1 CYS 190 HB2 0.04 -0.07 0.00 -0.04 2.97 2.90 1zvjA1 CYS 190 HB3 0.01 -0.01 -0.13 -0.04 2.97 2.80 1zvjA1 GLY 191 H 0.09 0.74 0.39 -0.55 8.43 9.10 1zvjA1 GLY 191 HA2 0.09 0.03 0.67 -0.51 4.01 4.29 1zvjA1 GLY 191 HA3 0.05 0.21 0.38 -0.51 4.01 4.15 1zvjA1 GLY 192 H 0.16 0.33 0.27 -0.55 8.43 8.64 1zvjA1 GLY 192 HA2 0.10 0.43 1.08 -0.51 4.01 5.11 1zvjA1 GLY 192 HA3 0.27 -0.10 0.27 -0.51 4.01 3.94 1zvjA1 THR 193 H 0.09 0.49 0.16 -0.55 8.28 8.46 1zvjA1 THR 193 HA 0.18 0.06 1.02 -0.75 4.39 4.89 1zvjA1 THR 193 HB 0.11 0.17 -0.12 -0.04 4.32 4.45 1zvjA1 THR 193 HG23 0.10 -0.00 -0.49 -0.04 1.22 0.78 1zvjA1 ARG 194 H 0.13 0.95 0.10 -0.55 8.46 9.09 1zvjA1 ARG 194 HA 0.05 0.02 0.88 -0.75 4.34 4.53 1zvjA1 ARG 194 HB2 0.15 -0.04 0.01 -0.04 1.90 1.98 1zvjA1 ARG 194 HB3 0.11 0.02 0.02 -0.04 1.80 1.91 1zvjA1 ARG 194 HG2 0.06 -0.01 -0.43 -0.04 1.67 1.25 1zvjA1 ARG 194 HG3 0.06 0.05 -0.14 -0.04 1.67 1.60 1zvjA1 ARG 194 HD2 0.10 -0.02 -0.06 -0.04 3.22 3.19 1zvjA1 ARG 194 HD3 0.07 -0.02 -0.09 -0.04 3.22 3.14 1zvjA1 LEU 195 H 0.01 0.20 0.07 -0.55 8.37 8.10 1zvjA1 LEU 195 HA 0.02 0.28 1.02 -0.75 4.35 4.91 1zvjA1 LEU 195 HB2 -0.03 -0.07 -0.07 -0.04 1.64 1.42 1zvjA1 LEU 195 HB3 -0.18 0.03 0.10 -0.04 1.64 1.55 1zvjA1 LEU 195 HG -0.23 -0.04 -0.37 -0.04 1.64 0.96 1zvjA1 LEU 195 HD13 -0.07 0.05 -0.09 -0.04 0.93 0.77 1zvjA1 LEU 195 HD23 -0.65 -0.00 -0.08 -0.04 0.89 0.12 1zvjA1 VAL 196 H 0.02 0.87 0.29 -0.55 8.24 8.88 1zvjA1 VAL 196 HA 0.11 0.20 0.93 -0.75 4.13 4.62 1zvjA1 VAL 196 HB 0.03 -0.18 0.26 -0.04 2.12 2.20 1zvjA1 VAL 196 HG13 0.03 0.01 -0.07 -0.04 0.97 0.90 1zvjA1 VAL 196 HG23 0.04 0.02 -0.15 -0.04 0.95 0.81 1zvjA1 ALA 197 H 0.20 0.30 0.10 -0.55 8.40 8.46 1zvjA1 ALA 197 HA -0.01 0.11 1.13 -0.75 4.34 4.82 1zvjA1 ALA 197 HB3 -0.14 0.00 -0.12 -0.04 1.41 1.11 1zvjA1 SER 198 H -0.01 0.64 0.29 -0.55 8.46 8.83 1zvjA1 SER 198 HA 0.02 0.05 0.59 -0.75 4.49 4.40 1zvjA1 SER 198 HB2 0.00 -0.01 0.14 -0.04 3.95 4.04 1zvjA1 SER 198 HB3 0.01 0.09 -0.31 -0.04 3.93 3.68 1zvjA1 GLY 199 H -0.00 0.19 0.16 -0.55 8.43 8.24 1zvjA1 GLY 199 HA2 -0.01 0.05 0.34 -0.51 4.01 3.89 1zvjA1 GLY 199 HA3 -0.00 0.11 0.41 -0.51 4.01 4.01 1zvjA1 GLY 200 H -0.02 -0.03 -0.45 -0.55 8.43 7.38 1zvjA1 GLY 200 HA2 -0.05 -0.02 0.06 -0.51 4.01 3.49 1zvjA1 GLY 200 HA3 -0.02 0.14 0.40 -0.51 4.01 4.03 1zvjA1 ARG 201 H -0.02 0.38 -0.36 -0.55 8.46 7.91 1zvjA1 ARG 201 HA -0.01 0.25 0.96 -0.75 4.34 4.78 1zvjA1 ARG 201 HB2 0.00 0.03 -0.04 -0.04 1.90 1.84 1zvjA1 ARG 201 HB3 -0.00 0.04 0.06 -0.04 1.80 1.85 1zvjA1 ARG 201 HG2 0.00 0.09 -0.33 -0.04 1.67 1.39 1zvjA1 ARG 201 HG3 0.01 0.01 0.02 -0.04 1.67 1.66 1zvjA1 ARG 201 HD2 0.02 -0.01 -0.04 -0.04 3.22 3.14 1zvjA1 ARG 201 HD3 0.01 -0.03 -0.04 -0.04 3.22 3.11 1zvjA1 ILE 202 H -0.04 0.22 0.10 -0.55 8.25 7.99 1zvjA1 ILE 202 HA -0.08 0.01 0.69 -0.75 4.18 4.05 1zvjA1 ILE 202 HB -0.19 0.01 0.14 -0.04 1.89 1.81 1zvjA1 ILE 202 HG12 -0.12 -0.07 -0.11 -0.04 1.49 1.14 1zvjA1 ILE 202 HG13 -0.09 0.08 -0.07 -0.04 1.21 1.08 1zvjA1 ILE 202 HG23 -0.27 0.02 -0.34 -0.04 0.93 0.30 1zvjA1 ILE 202 HD13 -0.19 0.01 -0.07 -0.04 0.88 0.58 1zvjA1 ALA 203 H -0.01 0.37 0.52 -0.55 8.40 8.74 1zvjA1 ALA 203 HA 0.02 0.05 0.60 -0.75 4.34 4.26 1zvjA1 ALA 203 HB3 0.01 -0.03 0.04 -0.04 1.41 1.39 1zvjA1 GLN 204 H 0.02 0.49 0.32 -0.55 8.47 8.75 1zvjA1 GLN 204 HA 0.06 0.23 0.64 -0.75 4.36 4.54 1zvjA1 GLN 204 HB2 0.05 -0.06 -0.08 -0.04 2.15 2.01 1zvjA1 GLN 204 HB3 0.05 -0.00 0.09 -0.04 2.02 2.12 1zvjA1 GLN 204 HG2 0.03 0.07 -0.14 -0.04 2.40 2.32 1zvjA1 GLN 204 HG3 0.03 -0.13 -0.49 -0.04 2.39 1.76 1zvjA1 GLN 204 HE21 0.02 -0.00 -0.06 -0.04 6.97 6.89 1zvjA1 GLN 204 HE22 0.02 0.00 -0.08 -0.04 7.69 7.59 1zvjA1 GLU 205 H 0.11 0.26 0.05 -0.55 8.60 8.47 1zvjA1 GLU 205 HA 0.07 0.37 0.70 -0.75 4.29 4.68 1zvjA1 GLU 205 HB2 0.02 0.03 -0.15 -0.04 2.09 1.95 1zvjA1 GLU 205 HB3 0.20 0.04 -0.01 -0.04 1.99 2.19 1zvjA1 GLU 205 HG2 0.14 -0.02 -0.30 -0.04 2.34 2.11 1zvjA1 GLU 205 HG3 0.11 -0.02 -0.18 -0.04 2.34 2.20 1zvjA1 THR 206 H 0.09 0.44 0.24 -0.55 8.28 8.50 1zvjA1 THR 206 HA 0.07 0.18 0.98 -0.75 4.39 4.86 1zvjA1 THR 206 HB 0.06 0.12 0.19 -0.04 4.32 4.65 1zvjA1 THR 206 HG23 0.05 -0.03 -0.14 -0.04 1.22 1.06 1zvjA1 VAL 207 H 0.05 0.47 0.22 -0.55 8.24 8.43 1zvjA1 VAL 207 HA 0.10 0.13 0.37 -0.75 4.13 3.96 1zvjA1 VAL 207 HB 0.03 -0.11 -0.01 -0.04 2.12 1.99 1zvjA1 VAL 207 HG13 0.03 0.01 -0.42 -0.04 0.97 0.55 1zvjA1 VAL 207 HG23 0.01 0.06 -0.39 -0.04 0.95 0.59 1zvjA1 TRP 208 H 0.28 0.56 0.21 -0.55 7.97 8.47 1zvjA1 TRP 208 HA 0.02 0.06 0.52 -0.75 4.62 4.47 1zvjA1 TRP 208 HB2 0.03 0.01 -0.40 -0.04 3.23 2.83 1zvjA1 TRP 208 HB3 0.03 -0.02 -0.06 -0.04 3.23 3.14 1zvjA1 TRP 208 HD1 0.02 0.01 -0.16 -0.04 7.22 7.06 1zvjA1 TRP 208 HE1 0.02 0.11 -0.11 -0.04 10.20 10.17 1zvjA1 TRP 208 HE3 0.03 -0.01 -0.15 -0.04 7.59 7.42 1zvjA1 TRP 208 HZ2 0.02 0.30 0.06 -0.04 7.44 7.78 1zvjA1 TRP 208 HZ3 0.02 -0.08 -0.00 -0.04 7.13 7.02 1zvjA1 TRP 208 HH2 0.01 -0.01 0.08 -0.04 7.19 7.23 1zvjA1 ASN 209 H 0.11 0.29 0.09 -0.55 8.53 8.47 1zvjA1 ASN 209 HA -0.46 0.04 0.63 -0.75 4.76 4.21 1zvjA1 ASN 209 HB2 -0.10 0.21 -0.11 -0.04 2.88 2.85 1zvjA1 ASN 209 HB3 -0.04 -0.00 0.11 -0.04 2.79 2.82 1zvjA1 ASN 209 HD21 -0.05 0.18 -0.13 -0.04 7.03 6.98 1zvjA1 ASN 209 HD22 -0.05 0.37 -0.05 -0.04 7.74 7.97 1zvjA1 ASP 210 H -0.36 0.84 0.12 -0.55 8.40 8.46 1zvjA1 ASP 210 HA 0.03 0.23 1.00 -0.75 4.63 5.13 1zvjA1 ASP 210 HB2 0.11 0.10 -0.08 -0.04 2.71 2.79 1zvjA1 ASP 210 HB3 0.10 -0.04 0.22 -0.04 2.70 2.93 1zvjA1 GLY 211 H -0.11 0.06 -0.29 -0.55 8.43 7.54 1zvjA1 GLY 211 HA2 -0.05 0.11 0.29 -0.51 4.01 3.84 1zvjA1 GLY 211 HA3 -0.03 0.12 0.39 -0.51 4.01 3.98 1zvjA1 PRO 212 HA -0.04 0.01 0.31 -0.51 4.44 4.21 1zvjA1 PRO 212 HB2 -0.01 0.01 0.02 -0.04 2.28 2.26 1zvjA1 PRO 212 HB3 -0.01 0.04 0.13 -0.04 2.02 2.13 1zvjA1 PRO 212 HG2 -0.01 0.01 0.10 -0.04 2.03 2.08 1zvjA1 PRO 212 HG3 -0.02 0.70 0.26 -0.04 2.03 2.93 1zvjA1 PRO 212 HD2 -0.02 0.11 0.20 -0.04 3.68 3.93 1zvjA1 PRO 212 HD3 -0.03 0.09 0.23 -0.04 3.65 3.91 1zvjA1 ASP 213 H -0.01 0.09 -0.41 -0.55 8.40 7.52 1zvjA1 ASP 213 HA 0.01 0.18 0.83 -0.75 4.63 4.89 1zvjA1 ASP 213 HB2 0.01 -0.02 0.06 -0.04 2.71 2.72 1zvjA1 ASP 213 HB3 0.02 0.04 -0.03 -0.04 2.70 2.68 1zvjA1 GLY 214 H -0.01 0.42 -0.16 -0.55 8.43 8.14 1zvjA1 GLY 214 HA2 0.09 0.16 0.83 -0.51 4.01 4.58 1zvjA1 GLY 214 HA3 0.09 0.01 0.35 -0.51 4.01 3.95 1zvjA1 GLY 215 H -0.06 0.22 -0.22 -0.55 8.43 7.83 1zvjA1 GLY 215 HA2 -0.18 0.02 0.29 -0.51 4.01 3.64 1zvjA1 GLY 215 HA3 -0.06 0.13 0.53 -0.51 4.01 4.10 1zvjA1 ALA 216 H -0.72 0.53 0.09 -0.55 8.40 7.75 1zvjA1 ALA 216 HA -1.95 0.12 0.38 -0.75 4.34 2.13 1zvjA1 ALA 216 HB3 -0.39 -0.00 -0.09 -0.04 1.41 0.89 1zvjA1 THR 217 H -0.23 0.53 0.22 -0.55 8.28 8.25 1zvjA1 THR 217 HA 0.29 0.03 0.55 -0.75 4.39 4.51 1zvjA1 THR 217 HB 0.40 -0.10 0.29 -0.04 4.32 4.88 1zvjA1 THR 217 HG23 0.06 0.08 0.10 -0.04 1.22 1.43 1zvjA1 GLY 218 H 0.13 0.30 0.06 -0.55 8.43 8.37 1zvjA1 GLY 218 HA2 0.07 0.22 0.43 -0.51 4.01 4.22 1zvjA1 GLY 218 HA3 0.10 0.05 0.15 -0.51 4.01 3.80 1zvjA1 GLY 219 H 0.10 0.18 0.11 -0.55 8.43 8.27 1zvjA1 GLY 219 HA2 0.04 -0.09 0.07 -0.51 4.01 3.51 1zvjA1 GLY 219 HA3 -0.01 0.35 0.54 -0.51 4.01 4.38 1zvjA1 GLY 220 H -0.08 0.76 0.39 -0.55 8.43 8.95 1zvjA1 GLY 220 HA2 -1.14 0.02 0.35 -0.51 4.01 2.74 1zvjA1 GLY 220 HA3 -0.12 0.04 0.68 -0.51 4.01 4.11 1zvjA1 VAL 221 H 0.00 0.13 0.07 -0.55 8.24 7.89 1zvjA1 VAL 221 HA 0.03 0.32 0.93 -0.75 4.13 4.65 1zvjA1 VAL 221 HB 0.05 -0.18 -0.08 -0.04 2.12 1.87 1zvjA1 VAL 221 HG13 -0.01 0.11 -0.26 -0.04 0.97 0.77 1zvjA1 VAL 221 HG23 -0.08 0.05 -0.39 -0.04 0.95 0.48 1zvjA1 SER 222 H 0.06 0.73 0.07 -0.55 8.46 8.77 1zvjA1 SER 222 HA 0.12 -0.05 0.46 -0.75 4.49 4.27 1zvjA1 SER 222 HB2 0.21 0.09 0.09 -0.04 3.95 4.30 1zvjA1 SER 222 HB3 0.15 0.15 0.21 -0.04 3.93 4.40 1zvjA1 ARG 223 H 0.07 0.05 0.19 -0.55 8.46 8.22 1zvjA1 ARG 223 HA 0.02 0.27 0.70 -0.75 4.34 4.57 1zvjA1 ARG 223 HB2 0.06 -0.07 0.07 -0.04 1.90 1.91 1zvjA1 ARG 223 HB3 0.02 0.02 0.12 -0.04 1.80 1.92 1zvjA1 ARG 223 HG2 0.04 -0.01 -0.01 -0.04 1.67 1.65 1zvjA1 ARG 223 HG3 0.06 0.09 -0.21 -0.04 1.67 1.57 1zvjA1 ARG 223 HD2 0.07 0.02 0.01 -0.04 3.22 3.29 1zvjA1 ARG 223 HD3 0.09 -0.06 0.04 -0.04 3.22 3.24 1zvjA1 ILE 224 H -0.01 -0.13 -0.03 -0.55 8.25 7.53 1zvjA1 ILE 224 HA -0.18 0.25 0.88 -0.75 4.18 4.37 1zvjA1 ILE 224 HB -0.37 -0.07 0.04 -0.04 1.89 1.45 1zvjA1 ILE 224 HG12 -0.12 0.11 -0.15 -0.04 1.49 1.29 1zvjA1 ILE 224 HG13 -0.05 -0.14 -0.12 -0.04 1.21 0.86 1zvjA1 ILE 224 HG23 -0.80 0.01 -0.13 -0.04 0.93 -0.03 1zvjA1 ILE 224 HD13 -0.14 -0.01 -0.14 -0.04 0.88 0.55 1zvjA1 PHE 225 H 0.07 -0.07 0.01 -0.55 8.34 7.79 1zvjA1 PHE 225 HA -0.01 0.26 0.90 -0.75 4.62 5.02 1zvjA1 PHE 225 HB2 0.00 -0.00 0.10 -0.04 3.15 3.21 1zvjA1 PHE 225 HB3 -0.01 0.13 0.07 -0.04 3.06 3.22 1zvjA1 PHE 225 HD2 0.07 0.03 -0.06 -0.04 7.28 7.27 1zvjA1 PHE 225 HE2 0.06 -0.04 -0.11 -0.04 7.38 7.24 1zvjA1 PHE 225 HZ -0.12 -0.04 -0.09 -0.04 7.32 7.04 1zvjA1 PRO 226 HA -0.04 0.23 0.50 -0.51 4.44 4.63 1zvjA1 PRO 226 HB2 -0.06 0.11 -0.11 -0.04 2.28 2.17 1zvjA1 PRO 226 HB3 -0.03 0.05 0.04 -0.04 2.02 2.03 1zvjA1 PRO 226 HG2 0.01 0.01 -0.02 -0.04 2.03 1.99 1zvjA1 PRO 226 HG3 0.01 0.04 0.03 -0.04 2.03 2.06 1zvjA1 PRO 226 HD2 0.19 0.04 0.20 -0.04 3.68 4.07 1zvjA1 PRO 226 HD3 0.04 0.26 0.22 -0.04 3.65 4.13 1zvjA1 LEU 227 H -0.12 0.17 -0.20 -0.55 8.37 7.67 1zvjA1 LEU 227 HA -0.30 0.08 0.08 -0.75 4.35 3.45 1zvjA1 LEU 227 HB2 -0.19 0.03 -0.11 -0.04 1.64 1.33 1zvjA1 LEU 227 HB3 -0.20 -0.07 -0.02 -0.04 1.64 1.32 1zvjA1 LEU 227 HG -0.35 0.06 -0.35 -0.04 1.64 0.95 1zvjA1 LEU 227 HD13 -0.41 0.06 -0.04 -0.04 0.93 0.50 1zvjA1 LEU 227 HD23 -0.22 -0.00 -0.09 -0.04 0.89 0.54 1zvjA1 PRO 228 HA -0.43 0.07 0.35 -0.51 4.44 3.92 1zvjA1 PRO 228 HB2 -2.68 -0.11 -0.03 -0.04 2.28 -0.58 1zvjA1 PRO 228 HB3 -0.97 0.04 0.10 -0.04 2.02 1.15 1zvjA1 PRO 228 HG2 -1.54 0.10 0.09 -0.04 2.03 0.64 1zvjA1 PRO 228 HG3 -0.58 0.09 0.12 -0.04 2.03 1.62 1zvjA1 PRO 228 HD2 -0.78 0.07 0.17 -0.04 3.68 3.10 1zvjA1 PRO 228 HD3 -0.44 0.13 0.24 -0.04 3.65 3.54 1zvjA1 ALA 229 H -0.31 0.15 0.14 -0.55 8.40 7.84 1zvjA1 ALA 229 HA -0.18 0.10 0.36 -0.75 4.34 3.86 1zvjA1 ALA 229 HB3 0.01 0.02 0.09 -0.04 1.41 1.48 1zvjA1 TRP 230 H -0.86 0.04 -0.35 -0.55 7.97 6.25 1zvjA1 TRP 230 HA -0.06 0.16 0.39 -0.75 4.62 4.36 1zvjA1 TRP 230 HB2 -0.18 0.12 0.04 -0.04 3.23 3.17 1zvjA1 TRP 230 HB3 -0.09 0.02 0.04 -0.04 3.23 3.15 1zvjA1 TRP 230 HD1 -0.09 -0.02 -0.01 -0.04 7.22 7.07 1zvjA1 TRP 230 HE1 -0.15 -0.01 -0.02 -0.04 10.20 9.98 1zvjA1 TRP 230 HE3 -0.91 0.06 -0.31 -0.04 7.59 6.39 1zvjA1 TRP 230 HZ2 -0.19 0.02 0.05 -0.04 7.44 7.28 1zvjA1 TRP 230 HZ3 -0.53 0.05 -0.04 -0.04 7.13 6.56 1zvjA1 TRP 230 HH2 -0.15 0.11 0.08 -0.04 7.19 7.18 1zvjA1 GLN 231 H -0.67 0.53 -0.45 -0.55 8.47 7.34 1zvjA1 GLN 231 HA -0.47 0.25 0.86 -0.75 4.36 4.25 1zvjA1 GLN 231 HB2 -0.88 0.05 0.06 -0.04 2.15 1.34 1zvjA1 GLN 231 HB3 -0.65 -0.05 0.13 -0.04 2.02 1.41 1zvjA1 GLN 231 HG2 -1.04 0.07 0.05 -0.04 2.40 1.44 1zvjA1 GLN 231 HG3 -1.20 -0.03 -0.08 -0.04 2.39 1.04 1zvjA1 GLN 231 HE21 -0.16 0.40 0.10 -0.04 6.97 7.27 1zvjA1 GLN 231 HE22 -0.28 0.01 0.01 -0.04 7.69 7.40 1zvjA1 GLU 232 H -0.24 0.35 -0.25 -0.55 8.60 7.91 1zvjA1 GLU 232 HA -0.33 0.06 0.29 -0.75 4.29 3.55 1zvjA1 GLU 232 HB2 -0.38 0.17 0.11 -0.04 2.09 1.95 1zvjA1 GLU 232 HB3 -0.57 -0.04 0.04 -0.04 1.99 1.38 1zvjA1 GLU 232 HG2 -0.24 -0.05 -0.00 -0.04 2.34 2.00 1zvjA1 GLU 232 HG3 -0.28 0.06 -0.08 -0.04 2.34 2.00 1zvjA1 HIS 233 H -0.05 0.17 -0.47 -0.55 8.41 7.51 1zvjA1 HIS 233 HA -0.04 0.17 0.87 -0.75 4.63 4.88 1zvjA1 HIS 233 HB2 0.02 0.14 0.04 -0.04 3.26 3.41 1zvjA1 HIS 233 HB3 0.01 -0.01 0.15 -0.04 3.20 3.31 1zvjA1 HIS 233 HD2 -0.01 0.08 -0.07 -0.04 6.97 6.92 1zvjA1 HIS 233 HE1 -0.02 -0.04 -0.04 -0.04 7.75 7.61 1zvjA1 ALA 234 H -0.14 0.35 -0.25 -0.55 8.40 7.81 1zvjA1 ALA 234 HA 0.08 0.21 0.81 -0.75 4.34 4.69 1zvjA1 ALA 234 HB3 -0.14 0.03 0.07 -0.04 1.41 1.33 1zvjA1 ASN 235 H -0.07 0.07 -0.26 -0.55 8.53 7.73 1zvjA1 ASN 235 HA -0.04 0.01 0.21 -0.75 4.76 4.18 1zvjA1 ASN 235 HB2 0.10 0.18 -0.04 -0.04 2.88 3.08 1zvjA1 ASN 235 HB3 0.04 -0.05 0.06 -0.04 2.79 2.80 1zvjA1 ASN 235 HD21 0.06 0.01 -0.12 -0.04 7.03 6.95 1zvjA1 ASN 235 HD22 0.10 0.13 -0.31 -0.04 7.74 7.61 1zvjA1 VAL 236 H -0.26 -0.00 -0.30 -0.55 8.24 7.13 1zvjA1 VAL 236 HA -0.03 0.12 0.54 -0.75 4.13 4.01 1zvjA1 VAL 236 HB -0.33 -0.07 0.07 -0.04 2.12 1.75 1zvjA1 VAL 236 HG13 -0.20 0.07 -0.08 -0.04 0.97 0.72 1zvjA1 VAL 236 HG23 -1.17 -0.03 -0.02 -0.04 0.95 -0.31 1zvjA1 PRO 237 HA 0.02 0.08 0.46 -0.51 4.44 4.49 1zvjA1 PRO 237 HB2 0.09 0.15 0.04 -0.04 2.28 2.52 1zvjA1 PRO 237 HB3 0.08 -0.02 0.08 -0.04 2.02 2.12 1zvjA1 PRO 237 HG2 0.11 0.00 -0.11 -0.04 2.03 1.99 1zvjA1 PRO 237 HG3 0.16 -0.04 0.05 -0.04 2.03 2.16 1zvjA1 PRO 237 HD2 0.22 -0.01 0.14 -0.04 3.68 3.98 1zvjA1 PRO 237 HD3 0.24 0.27 0.23 -0.04 3.65 4.36 1zvjA1 PRO 238 HA 0.00 0.11 0.57 -0.51 4.44 4.61 1zvjA1 PRO 238 HB2 0.03 0.23 -0.11 -0.04 2.28 2.40 1zvjA1 PRO 238 HB3 0.01 -0.02 -0.07 -0.04 2.02 1.90 1zvjA1 PRO 238 HG2 0.03 0.00 -0.03 -0.04 2.03 1.99 1zvjA1 PRO 238 HG3 0.01 -0.03 0.01 -0.04 2.03 1.98 1zvjA1 PRO 238 HD2 0.03 0.04 0.16 -0.04 3.68 3.87 1zvjA1 PRO 238 HD3 0.00 0.11 0.10 -0.04 3.65 3.82 1zvjA1 SER 239 H 0.04 0.32 -0.00 -0.55 8.46 8.27 1zvjA1 SER 239 HA 0.17 -0.02 0.49 -0.75 4.49 4.38 1zvjA1 SER 239 HB2 0.09 0.13 -0.04 -0.04 3.95 4.08 1zvjA1 SER 239 HB3 0.07 -0.01 0.01 -0.04 3.93 3.96 1zvjA1 ALA 240 H 0.23 0.04 0.14 -0.55 8.40 8.26 1zvjA1 ALA 240 HA 0.02 0.15 0.33 -0.75 4.34 4.08 1zvjA1 ALA 240 HB3 -0.33 -0.02 0.06 -0.04 1.41 1.08 1zvjA1 ASN 241 H 0.12 -0.04 -0.30 -0.55 8.53 7.77 1zvjA1 ASN 241 HA 0.09 0.07 0.51 -0.75 4.76 4.68 1zvjA1 ASN 241 HB2 0.06 -0.02 -0.01 -0.04 2.88 2.87 1zvjA1 ASN 241 HB3 0.03 0.10 0.04 -0.04 2.79 2.92 1zvjA1 ASN 241 HD21 -0.06 0.65 0.23 -0.04 7.03 7.81 1zvjA1 ASN 241 HD22 0.05 -0.03 0.05 -0.04 7.74 7.77 1zvjA1 PRO 242 HA 0.02 0.05 0.45 -0.51 4.44 4.46 1zvjA1 PRO 242 HB2 0.01 -0.00 0.05 -0.04 2.28 2.30 1zvjA1 PRO 242 HB3 0.01 0.02 0.11 -0.04 2.02 2.12 1zvjA1 PRO 242 HG2 0.01 0.01 0.10 -0.04 2.03 2.11 1zvjA1 PRO 242 HG3 0.02 0.07 0.12 -0.04 2.03 2.19 1zvjA1 PRO 242 HD2 0.02 0.05 0.21 -0.04 3.68 3.91 1zvjA1 PRO 242 HD3 0.04 0.14 0.26 -0.04 3.65 4.05 1zvjA1 GLY 243 H 0.02 0.16 0.17 -0.55 8.43 8.22 1zvjA1 GLY 243 HA2 0.01 -0.01 0.32 -0.51 4.01 3.82 1zvjA1 GLY 243 HA3 0.01 0.04 0.37 -0.51 4.01 3.93 1zvjA1 ALA 244 H 0.03 0.40 -0.43 -0.55 8.40 7.85 1zvjA1 ALA 244 HA 0.02 -0.08 0.24 -0.75 4.34 3.76 1zvjA1 ALA 244 HB3 0.04 0.08 -0.03 -0.04 1.41 1.45 1zvjA1 SER 245 H 0.01 0.04 0.11 -0.55 8.46 8.07 1zvjA1 SER 245 HA -0.01 0.16 0.56 -0.75 4.49 4.44 1zvjA1 SER 245 HB2 -0.02 0.11 0.04 -0.04 3.95 4.04 1zvjA1 SER 245 HB3 -0.02 -0.12 0.21 -0.04 3.93 3.96 1zvjA1 SER 246 H -0.03 0.08 0.15 -0.55 8.46 8.12 1zvjA1 SER 246 HA -0.05 0.18 0.67 -0.75 4.49 4.54 1zvjA1 SER 246 HB2 -0.06 -0.06 0.15 -0.04 3.95 3.94 1zvjA1 SER 246 HB3 -0.09 -0.07 -0.03 -0.04 3.93 3.69 1zvjA1 GLY 247 H -0.06 0.32 0.13 -0.55 8.43 8.27 1zvjA1 GLY 247 HA2 -0.05 -0.03 0.65 -0.51 4.01 4.07 1zvjA1 GLY 247 HA3 -0.01 0.45 0.33 -0.51 4.01 4.27 1zvjA1 ARG 248 H 0.00 0.47 -0.13 -0.55 8.46 8.25 1zvjA1 ARG 248 HA -0.25 0.01 0.43 -0.75 4.34 3.78 1zvjA1 ARG 248 HB2 -0.02 0.08 -0.05 -0.04 1.90 1.86 1zvjA1 ARG 248 HB3 0.07 -0.16 0.11 -0.04 1.80 1.77 1zvjA1 ARG 248 HG2 -0.23 -0.01 0.02 -0.04 1.67 1.40 1zvjA1 ARG 248 HG3 -0.10 -0.06 -0.05 -0.04 1.67 1.42 1zvjA1 ARG 248 HD2 0.05 -0.16 -0.17 -0.04 3.22 2.90 1zvjA1 ARG 248 HD3 0.02 0.22 -0.54 -0.04 3.22 2.89 1zvjA1 GLY 249 H -0.32 0.11 0.22 -0.55 8.43 7.90 1zvjA1 GLY 249 HA2 0.09 0.11 0.70 -0.51 4.01 4.40 1zvjA1 GLY 249 HA3 -0.25 0.04 0.33 -0.51 4.01 3.61 1zvjA1 VAL 250 H 0.25 0.76 0.37 -0.55 8.24 9.07 1zvjA1 VAL 250 HA 0.26 0.15 0.77 -0.75 4.13 4.55 1zvjA1 VAL 250 HB 0.10 -0.12 -0.04 -0.04 2.12 2.01 1zvjA1 VAL 250 HG13 0.10 -0.01 -0.24 -0.04 0.97 0.78 1zvjA1 VAL 250 HG23 0.12 0.05 -0.31 -0.04 0.95 0.77 1zvjA1 PRO 251 HA 0.18 0.08 0.27 -0.51 4.44 4.46 1zvjA1 PRO 251 HB2 0.08 0.19 -0.15 -0.04 2.28 2.36 1zvjA1 PRO 251 HB3 0.07 -0.07 -0.29 -0.04 2.02 1.69 1zvjA1 PRO 251 HG2 -0.06 0.06 -0.63 -0.04 2.03 1.36 1zvjA1 PRO 251 HG3 -0.01 0.05 -0.20 -0.04 2.03 1.83 1zvjA1 PRO 251 HD2 -0.32 -0.04 -0.13 -0.04 3.68 3.16 1zvjA1 PRO 251 HD3 -0.10 0.24 -0.04 -0.04 3.65 3.71 1zvjA1 ASP 252 H 0.15 0.54 0.27 -0.55 8.40 8.82 1zvjA1 ASP 252 HA 0.50 0.21 0.95 -0.75 4.63 5.54 1zvjA1 ASP 252 HB2 0.12 0.00 0.15 -0.04 2.71 2.94 1zvjA1 ASP 252 HB3 0.20 0.02 0.06 -0.04 2.70 2.94 1zvjA1 LEU 253 H 0.07 0.37 0.29 -0.55 8.37 8.56 1zvjA1 LEU 253 HA -0.11 0.19 0.78 -0.75 4.35 4.45 1zvjA1 LEU 253 HB2 0.07 -0.10 -0.04 -0.04 1.64 1.53 1zvjA1 LEU 253 HB3 -0.02 0.08 0.12 -0.04 1.64 1.77 1zvjA1 LEU 253 HG -0.12 -0.08 -0.31 -0.04 1.64 1.10 1zvjA1 LEU 253 HD13 -0.22 -0.01 -0.08 -0.04 0.93 0.57 1zvjA1 LEU 253 HD23 -0.23 0.03 -0.04 -0.04 0.89 0.61 1zvjA1 ALA 254 H 0.06 0.75 0.12 -0.55 8.40 8.79 1zvjA1 ALA 254 HA 0.16 0.05 0.54 -0.75 4.34 4.34 1zvjA1 ALA 254 HB3 0.05 -0.02 -0.34 -0.04 1.41 1.05 1zvjA1 GLY 255 H 0.07 0.54 0.18 -0.55 8.43 8.68 1zvjA1 GLY 255 HA2 0.15 0.16 0.61 -0.51 4.01 4.43 1zvjA1 GLY 255 HA3 0.08 0.08 0.24 -0.51 4.01 3.89 1zvjA1 ASN 256 H 0.33 0.19 0.07 -0.55 8.53 8.57 1zvjA1 ASN 256 HA 0.02 -0.01 0.31 -0.75 4.76 4.32 1zvjA1 ASN 256 HB2 -0.12 0.01 0.08 -0.04 2.88 2.81 1zvjA1 ASN 256 HB3 -0.13 0.02 0.09 -0.04 2.79 2.73 1zvjA1 ASN 256 HD21 -0.28 0.80 0.12 -0.04 7.03 7.63 1zvjA1 ASN 256 HD22 -0.70 -0.12 -0.11 -0.04 7.74 6.77 1zvjA1 ALA 257 H -0.14 0.38 0.43 -0.55 8.40 8.52 1zvjA1 ALA 257 HA -0.18 0.27 0.80 -0.75 4.34 4.48 1zvjA1 ALA 257 HB3 -0.29 -0.04 -0.15 -0.04 1.41 0.90 1zvjA1 ASP 258 H -0.32 0.17 0.25 -0.55 8.40 7.95 1zvjA1 ASP 258 HA -1.33 0.12 0.38 -0.75 4.63 3.04 1zvjA1 ASP 258 HB2 -0.02 0.05 0.08 -0.04 2.71 2.77 1zvjA1 ASP 258 HB3 -0.07 0.01 0.18 -0.04 2.70 2.78 1zvjA1 PRO 259 HA -0.09 0.07 0.12 -0.51 4.44 4.03 1zvjA1 PRO 259 HB2 0.05 0.07 0.02 -0.04 2.28 2.38 1zvjA1 PRO 259 HB3 -0.01 0.05 0.06 -0.04 2.02 2.08 1zvjA1 PRO 259 HG2 0.14 0.18 0.13 -0.04 2.03 2.44 1zvjA1 PRO 259 HG3 -0.13 -0.14 0.15 -0.04 2.03 1.86 1zvjA1 PRO 259 HD2 0.21 0.15 0.20 -0.04 3.68 4.20 1zvjA1 PRO 259 HD3 -0.93 0.18 0.39 -0.04 3.65 3.25 1zvjA1 ALA 260 H 0.02 0.01 -0.44 -0.55 8.40 7.45 1zvjA1 ALA 260 HA 0.01 0.08 0.39 -0.75 4.34 4.07 1zvjA1 ALA 260 HB3 0.05 -0.02 0.01 -0.04 1.41 1.41 1zvjA1 THR 261 H -0.06 0.42 -0.53 -0.55 8.28 7.56 1zvjA1 THR 261 HA -0.08 0.34 0.48 -0.75 4.39 4.37 1zvjA1 THR 261 HB 0.15 0.07 0.13 -0.04 4.32 4.62 1zvjA1 THR 261 HG23 0.01 -0.02 -0.24 -0.04 1.22 0.93 1zvjA1 GLY 262 H -0.08 0.39 -0.17 -0.55 8.43 8.02 1zvjA1 GLY 262 HA2 -0.19 0.04 0.17 -0.51 4.01 3.52 1zvjA1 GLY 262 HA3 -0.07 0.03 0.15 -0.51 4.01 3.61 1zvjA1 TYR 263 H 0.13 0.80 0.30 -0.55 8.29 8.97 1zvjA1 TYR 263 HA 0.02 0.19 0.64 -0.75 4.56 4.65 1zvjA1 TYR 263 HB2 -0.06 -0.03 0.12 -0.04 3.06 3.05 1zvjA1 TYR 263 HB3 -0.03 0.02 -0.10 -0.04 2.98 2.83 1zvjA1 TYR 263 HD2 -0.07 0.06 -0.07 -0.04 7.15 7.03 1zvjA1 TYR 263 HE2 -0.12 0.06 -0.09 -0.04 6.85 6.66 1zvjA1 GLU 264 H 0.09 0.80 0.41 -0.55 8.60 9.35 1zvjA1 GLU 264 HA 0.04 0.15 0.76 -0.75 4.29 4.48 1zvjA1 GLU 264 HB2 0.08 -0.07 0.18 -0.04 2.09 2.24 1zvjA1 GLU 264 HB3 0.07 -0.01 0.01 -0.04 1.99 2.01 1zvjA1 GLU 264 HG2 -0.01 0.00 -0.10 -0.04 2.34 2.20 1zvjA1 GLU 264 HG3 -0.01 0.03 -0.08 -0.04 2.34 2.23 1zvjA1 VAL 265 H 0.01 0.79 0.49 -0.55 8.24 8.99 1zvjA1 VAL 265 HA -0.21 0.20 0.93 -0.75 4.13 4.29 1zvjA1 VAL 265 HB -0.27 -0.08 -0.08 -0.04 2.12 1.66 1zvjA1 VAL 265 HG13 -0.11 -0.01 -0.26 -0.04 0.97 0.55 1zvjA1 VAL 265 HG23 -0.06 0.03 -0.11 -0.04 0.95 0.78 1zvjA1 VAL 266 H -0.61 0.20 0.05 -0.55 8.24 7.33 1zvjA1 VAL 266 HA -0.06 0.32 0.82 -0.75 4.13 4.46 1zvjA1 VAL 266 HB -0.11 -0.02 0.09 -0.04 2.12 2.04 1zvjA1 VAL 266 HG13 -0.02 -0.04 -0.36 -0.04 0.97 0.51 1zvjA1 VAL 266 HG23 0.13 0.02 -0.22 -0.04 0.95 0.84 1zvjA1 ILE 267 H -0.06 0.77 0.07 -0.55 8.25 8.48 1zvjA1 ILE 267 HA -0.07 0.08 0.87 -0.75 4.18 4.30 1zvjA1 ILE 267 HB -0.04 0.06 0.05 -0.04 1.89 1.92 1zvjA1 ILE 267 HG12 -0.08 0.01 -0.27 -0.04 1.49 1.10 1zvjA1 ILE 267 HG13 -0.05 0.06 -0.11 -0.04 1.21 1.06 1zvjA1 ILE 267 HG23 -0.02 0.01 -0.15 -0.04 0.93 0.73 1zvjA1 ILE 267 HD13 -0.11 0.04 -0.22 -0.04 0.88 0.54 1zvjA1 ASP 268 H -0.02 0.15 0.08 -0.55 8.40 8.06 1zvjA1 ASP 268 HA 0.00 -0.02 0.28 -0.75 4.63 4.14 1zvjA1 ASP 268 HB2 -0.00 0.14 -0.16 -0.04 2.71 2.64 1zvjA1 ASP 268 HB3 0.00 0.11 0.14 -0.04 2.70 2.90 1zvjA1 GLY 269 H -0.02 0.04 -0.29 -0.55 8.43 7.62 1zvjA1 GLY 269 HA2 -0.00 -0.01 0.18 -0.51 4.01 3.66 1zvjA1 GLY 269 HA3 -0.00 0.09 0.31 -0.51 4.01 3.90 1zvjA1 GLU 270 H -0.02 0.52 -0.73 -0.55 8.60 7.83 1zvjA1 GLU 270 HA -0.00 0.19 1.05 -0.75 4.29 4.77 1zvjA1 GLU 270 HB2 -0.01 0.01 0.03 -0.04 2.09 2.08 1zvjA1 GLU 270 HB3 -0.01 0.03 -0.02 -0.04 1.99 1.95 1zvjA1 GLU 270 HG2 -0.01 0.34 0.12 -0.04 2.34 2.74 1zvjA1 GLU 270 HG3 -0.01 -0.04 -0.32 -0.04 2.34 1.93 1zvjA1 ALA 271 H -0.00 0.15 0.15 -0.55 8.40 8.16 1zvjA1 ALA 271 HA 0.00 0.18 0.71 -0.75 4.34 4.48 1zvjA1 ALA 271 HB3 0.01 0.00 0.09 -0.04 1.41 1.47 1zvjA1 THR 272 H -0.01 0.72 0.44 -0.55 8.28 8.88 1zvjA1 THR 272 HA -0.01 0.13 0.72 -0.75 4.39 4.47 1zvjA1 THR 272 HB -0.01 0.07 -0.37 -0.04 4.32 3.96 1zvjA1 THR 272 HG23 -0.03 -0.01 -0.19 -0.04 1.22 0.95 1zvjA1 VAL 273 H -0.01 0.19 0.14 -0.55 8.24 8.01 1zvjA1 VAL 273 HA 0.01 0.43 1.04 -0.75 4.13 4.86 1zvjA1 VAL 273 HB -0.02 -0.02 0.13 -0.04 2.12 2.17 1zvjA1 VAL 273 HG13 -0.03 0.03 -0.31 -0.04 0.97 0.62 1zvjA1 VAL 273 HG23 -0.03 -0.00 -0.18 -0.04 0.95 0.70 1zvjA1 ILE 274 H 0.04 0.55 0.30 -0.55 8.25 8.59 1zvjA1 ILE 274 HA -0.01 0.18 0.96 -0.75 4.18 4.55 1zvjA1 ILE 274 HB -0.02 0.01 0.03 -0.04 1.89 1.87 1zvjA1 ILE 274 HG12 -0.03 0.01 -0.28 -0.04 1.49 1.14 1zvjA1 ILE 274 HG13 -0.05 -0.02 -0.11 -0.04 1.21 0.99 1zvjA1 ILE 274 HG23 -0.05 0.06 0.02 -0.04 0.93 0.91 1zvjA1 ILE 274 HD13 -0.02 0.07 -0.27 -0.04 0.88 0.62 1zvjA1 GLY 275 H -0.06 0.12 0.11 -0.55 8.43 8.05 1zvjA1 GLY 275 HA2 -0.01 0.17 0.65 -0.51 4.01 4.32 1zvjA1 GLY 275 HA3 -0.24 0.04 0.31 -0.51 4.01 3.60 1zvjA1 GLY 276 H -0.81 0.80 0.32 -0.55 8.43 8.20 1zvjA1 GLY 276 HA2 -0.47 0.04 0.41 -0.51 4.01 3.48 1zvjA1 GLY 276 HA3 -0.11 0.07 0.65 -0.51 4.01 4.11 1zvjA1 THR 277 H 0.17 0.20 0.10 -0.55 8.28 8.20 1zvjA1 THR 277 HA -0.03 0.20 0.51 -0.75 4.39 4.31 1zvjA1 THR 277 HB 0.06 0.09 0.16 -0.04 4.32 4.59 1zvjA1 THR 277 HG23 0.24 0.03 0.01 -0.04 1.22 1.47 1zvjA1 SER 278 H -0.04 0.04 -0.26 -0.55 8.46 7.65 1zvjA1 SER 278 HA -0.08 0.01 0.43 -0.75 4.49 4.10 1zvjA1 SER 278 HB2 -0.13 0.17 -0.05 -0.04 3.95 3.89 1zvjA1 SER 278 HB3 -0.17 0.04 0.08 -0.04 3.93 3.84 1zvjA1 ALA 279 H -0.17 0.39 -0.60 -0.55 8.40 7.48 1zvjA1 ALA 279 HA -0.26 0.09 0.45 -0.75 4.34 3.86 1zvjA1 ALA 279 HB3 -0.56 0.05 -0.08 -0.04 1.41 0.78 1zvjA1 VAL 280 H -0.15 0.34 -0.22 -0.55 8.24 7.66 1zvjA1 VAL 280 HA -0.34 0.07 0.25 -0.75 4.13 3.35 1zvjA1 VAL 280 HB -0.14 0.03 0.01 -0.04 2.12 1.98 1zvjA1 VAL 280 HG13 -0.53 0.01 -0.12 -0.04 0.97 0.30 1zvjA1 VAL 280 HG23 -0.09 0.05 -0.08 -0.04 0.95 0.78 1zvjA1 ALA 281 H -0.09 0.26 -0.17 -0.55 8.40 7.85 1zvjA1 ALA 281 HA 0.01 0.08 0.40 -0.75 4.34 4.08 1zvjA1 ALA 281 HB3 0.02 0.00 -0.16 -0.04 1.41 1.24 1zvjA1 PRO 282 HA 0.07 0.04 0.42 -0.51 4.44 4.46 1zvjA1 PRO 282 HB2 -0.06 0.07 -0.04 -0.04 2.28 2.21 1zvjA1 PRO 282 HB3 0.03 0.16 0.13 -0.04 2.02 2.30 1zvjA1 PRO 282 HG2 -0.09 0.08 0.05 -0.04 2.03 2.03 1zvjA1 PRO 282 HG3 0.00 -0.05 0.01 -0.04 2.03 1.95 1zvjA1 PRO 282 HD2 -0.11 0.01 -0.58 -0.04 3.68 2.96 1zvjA1 PRO 282 HD3 -0.02 0.03 -0.08 -0.04 3.65 3.54 1zvjA1 LEU 283 H -0.10 0.45 -0.32 -0.55 8.37 7.85 1zvjA1 LEU 283 HA 0.12 0.05 0.32 -0.75 4.35 4.08 1zvjA1 LEU 283 HB2 -0.10 0.03 0.03 -0.04 1.64 1.56 1zvjA1 LEU 283 HB3 -0.30 0.08 0.13 -0.04 1.64 1.51 1zvjA1 LEU 283 HG 0.49 0.02 -0.36 -0.04 1.64 1.75 1zvjA1 LEU 283 HD13 0.06 -0.01 -0.08 -0.04 0.93 0.87 1zvjA1 LEU 283 HD23 -0.00 0.00 -0.08 -0.04 0.89 0.77 1zvjA1 PHE 284 H -0.05 0.62 -0.07 -0.55 8.34 8.28 1zvjA1 PHE 284 HA 0.09 0.03 0.48 -0.75 4.62 4.46 1zvjA1 PHE 284 HB2 0.04 0.07 0.05 -0.04 3.15 3.27 1zvjA1 PHE 284 HB3 0.01 -0.03 -0.00 -0.04 3.06 3.00 1zvjA1 PHE 284 HD2 0.14 -0.03 -0.21 -0.04 7.28 7.14 1zvjA1 PHE 284 HE2 0.09 -0.04 -0.19 -0.04 7.38 7.20 1zvjA1 PHE 284 HZ -0.14 0.13 -0.17 -0.04 7.32 7.10 1zvjA1 ALA 285 H 0.15 0.51 -0.34 -0.55 8.40 8.18 1zvjA1 ALA 285 HA 0.08 0.00 0.47 -0.75 4.34 4.14 1zvjA1 ALA 285 HB3 0.09 0.00 0.01 -0.04 1.41 1.47 1zvjA1 ALA 286 H 0.18 0.49 -0.27 -0.55 8.40 8.26 1zvjA1 ALA 286 HA 0.11 0.03 0.41 -0.75 4.34 4.14 1zvjA1 ALA 286 HB3 0.26 0.06 -0.03 -0.04 1.41 1.65 1zvjA1 LEU 287 H 0.15 0.33 -0.16 -0.55 8.37 8.14 1zvjA1 LEU 287 HA -0.33 0.06 0.40 -0.75 4.35 3.72 1zvjA1 LEU 287 HB2 -1.05 0.01 0.08 -0.04 1.64 0.65 1zvjA1 LEU 287 HB3 -0.14 0.05 0.15 -0.04 1.64 1.66 1zvjA1 LEU 287 HG -0.30 0.01 -0.30 -0.04 1.64 1.01 1zvjA1 LEU 287 HD13 -0.72 -0.00 0.07 -0.04 0.93 0.24 1zvjA1 LEU 287 HD23 -0.40 -0.00 -0.07 -0.04 0.89 0.37 1zvjA1 VAL 288 H -0.01 0.59 -0.21 -0.55 8.24 8.05 1zvjA1 VAL 288 HA -0.08 0.04 0.36 -0.75 4.13 3.70 1zvjA1 VAL 288 HB -0.00 0.11 0.13 -0.04 2.12 2.32 1zvjA1 VAL 288 HG13 -0.03 -0.01 -0.11 -0.04 0.97 0.78 1zvjA1 VAL 288 HG23 -0.03 0.02 -0.01 -0.04 0.95 0.89 1zvjA1 ALA 289 H -0.01 0.45 -0.30 -0.55 8.40 8.00 1zvjA1 ALA 289 HA -0.03 0.00 0.38 -0.75 4.34 3.94 1zvjA1 ALA 289 HB3 -0.02 0.04 0.06 -0.04 1.41 1.45 1zvjA1 ARG 290 H -0.02 0.54 -0.20 -0.55 8.46 8.22 1zvjA1 ARG 290 HA -0.01 -0.14 0.39 -0.75 4.34 3.83 1zvjA1 ARG 290 HB2 -0.06 0.12 0.13 -0.04 1.90 2.05 1zvjA1 ARG 290 HB3 -0.01 -0.02 -0.03 -0.04 1.80 1.70 1zvjA1 ARG 290 HG2 0.04 -0.21 -0.21 -0.04 1.67 1.26 1zvjA1 ARG 290 HG3 0.06 0.17 -0.04 -0.04 1.67 1.82 1zvjA1 ARG 290 HD2 0.09 -0.11 0.02 -0.04 3.22 3.17 1zvjA1 ARG 290 HD3 0.07 0.05 0.10 -0.04 3.22 3.40 1zvjA1 ILE 291 H -0.07 0.49 -0.19 -0.55 8.25 7.93 1zvjA1 ILE 291 HA -0.06 0.02 0.52 -0.75 4.18 3.91 1zvjA1 ILE 291 HB -0.08 0.13 0.22 -0.04 1.89 2.11 1zvjA1 ILE 291 HG12 -0.10 -0.05 0.04 -0.04 1.49 1.34 1zvjA1 ILE 291 HG13 -0.13 0.09 0.08 -0.04 1.21 1.20 1zvjA1 ILE 291 HG23 -0.07 -0.00 -0.13 -0.04 0.93 0.69 1zvjA1 ILE 291 HD13 -0.14 -0.02 -0.11 -0.04 0.88 0.56 1zvjA1 ASN 292 H -0.04 0.64 -0.04 -0.55 8.53 8.54 1zvjA1 ASN 292 HA -0.03 0.17 0.44 -0.75 4.76 4.58 1zvjA1 ASN 292 HB2 -0.03 0.08 0.15 -0.04 2.88 3.03 1zvjA1 ASN 292 HB3 -0.03 -0.02 -0.14 -0.04 2.79 2.57 1zvjA1 ASN 292 HD21 -0.02 -0.01 0.02 -0.04 7.03 6.97 1zvjA1 ASN 292 HD22 -0.03 -0.01 -0.03 -0.04 7.74 7.63 1zvjA1 GLN 293 H -0.02 0.50 -0.21 -0.55 8.47 8.19 1zvjA1 GLN 293 HA -0.02 0.05 0.38 -0.75 4.36 4.01 1zvjA1 GLN 293 HB2 -0.02 0.05 0.03 -0.04 2.15 2.18 1zvjA1 GLN 293 HB3 -0.01 0.05 0.15 -0.04 2.02 2.17 1zvjA1 GLN 293 HG2 -0.01 0.05 -0.18 -0.04 2.40 2.22 1zvjA1 GLN 293 HG3 -0.01 0.12 0.03 -0.04 2.39 2.50 1zvjA1 GLN 293 HE21 0.00 -0.17 0.10 -0.04 6.97 6.85 1zvjA1 GLN 293 HE22 -0.00 0.11 0.02 -0.04 7.69 7.78 1zvjA1 LYS 294 H -0.02 0.41 -0.29 -0.55 8.42 7.96 1zvjA1 LYS 294 HA -0.02 -0.02 0.47 -0.75 4.32 4.01 1zvjA1 LYS 294 HB2 -0.02 -0.02 0.12 -0.04 1.87 1.91 1zvjA1 LYS 294 HB3 -0.03 0.12 0.18 -0.04 1.79 2.02 1zvjA1 LYS 294 HG2 -0.02 -0.07 -0.02 -0.04 1.46 1.30 1zvjA1 LYS 294 HG3 -0.03 0.04 -0.16 -0.04 1.46 1.28 1zvjA1 LYS 294 HD2 -0.02 0.03 0.14 -0.04 1.69 1.81 1zvjA1 LYS 294 HD3 -0.01 -0.03 0.04 -0.04 1.68 1.64 1zvjA1 LYS 294 HE2 -0.01 -0.03 -0.01 -0.04 2.99 2.90 1zvjA1 LYS 294 HE3 -0.02 0.01 -0.01 -0.04 2.99 2.94 1zvjA1 LEU 295 H -0.03 0.60 -0.07 -0.55 8.37 8.33 1zvjA1 LEU 295 HA -0.02 0.07 0.50 -0.75 4.35 4.14 1zvjA1 LEU 295 HB2 -0.03 0.10 0.12 -0.04 1.64 1.79 1zvjA1 LEU 295 HB3 -0.03 -0.04 0.07 -0.04 1.64 1.61 1zvjA1 LEU 295 HG -0.04 0.21 0.03 -0.04 1.64 1.81 1zvjA1 LEU 295 HD13 -0.04 -0.01 -0.12 -0.04 0.93 0.72 1zvjA1 LEU 295 HD23 -0.03 -0.02 -0.15 -0.04 0.89 0.65 1zvjA1 GLY 296 H -0.02 0.33 -0.43 -0.55 8.43 7.76 1zvjA1 GLY 296 HA2 -0.01 -0.03 0.29 -0.51 4.01 3.75 1zvjA1 GLY 296 HA3 -0.01 0.01 0.47 -0.51 4.01 3.96 1zvjA1 LYS 297 H -0.02 0.27 -0.35 -0.55 8.42 7.76 1zvjA1 LYS 297 HA -0.01 0.05 0.64 -0.75 4.32 4.25 1zvjA1 LYS 297 HB2 -0.01 0.08 -0.30 -0.04 1.87 1.59 1zvjA1 LYS 297 HB3 -0.02 0.02 -0.21 -0.04 1.79 1.54 1zvjA1 LYS 297 HG2 -0.01 -0.05 0.09 -0.04 1.46 1.45 1zvjA1 LYS 297 HG3 -0.01 0.01 0.06 -0.04 1.46 1.48 1zvjA1 LYS 297 HD2 -0.01 -0.08 -0.01 -0.04 1.69 1.55 1zvjA1 LYS 297 HD3 -0.01 0.01 -0.05 -0.04 1.68 1.58 1zvjA1 LYS 297 HE2 -0.01 0.04 -0.02 -0.04 2.99 2.96 1zvjA1 LYS 297 HE3 -0.01 -0.08 -0.03 -0.04 2.99 2.83 1zvjA1 ALA 298 H -0.01 0.14 0.12 -0.55 8.40 8.10 1zvjA1 ALA 298 HA -0.02 0.01 0.74 -0.75 4.34 4.32 1zvjA1 ALA 298 HB3 -0.01 0.04 0.20 -0.04 1.41 1.60 1zvjA1 VAL 299 H -0.03 0.10 0.17 -0.55 8.24 7.94 1zvjA1 VAL 299 HA -0.03 0.14 0.44 -0.75 4.13 3.93 1zvjA1 VAL 299 HB -0.05 -0.01 -0.07 -0.04 2.12 1.95 1zvjA1 VAL 299 HG13 -0.05 0.03 -0.05 -0.04 0.97 0.86 1zvjA1 VAL 299 HG23 -0.04 0.00 -0.03 -0.04 0.95 0.84 1zvjA1 GLY 300 H -0.01 0.05 -0.16 -0.55 8.43 7.77 1zvjA1 GLY 300 HA2 0.02 0.04 -0.46 -0.51 4.01 3.10 1zvjA1 GLY 300 HA3 0.02 0.04 0.09 -0.51 4.01 3.65 1zvjA1 TYR 301 H 0.13 0.19 0.10 -0.55 8.29 8.16 1zvjA1 TYR 301 HA -0.07 -0.04 0.48 -0.75 4.56 4.18 1zvjA1 TYR 301 HB2 0.00 0.02 0.16 -0.04 3.06 3.20 1zvjA1 TYR 301 HB3 -0.04 0.05 0.20 -0.04 2.98 3.16 1zvjA1 TYR 301 HD2 -0.06 0.04 0.02 -0.04 7.15 7.11 1zvjA1 TYR 301 HE2 -0.22 0.05 -0.05 -0.04 6.85 6.59 1zvjA1 LEU 302 H -0.19 0.07 0.18 -0.55 8.37 7.89 1zvjA1 LEU 302 HA -0.25 0.29 0.66 -0.75 4.35 4.30 1zvjA1 LEU 302 HB2 -0.14 -0.05 0.03 -0.04 1.64 1.44 1zvjA1 LEU 302 HB3 -0.15 -0.04 -0.06 -0.04 1.64 1.35 1zvjA1 LEU 302 HG -0.08 0.19 -0.39 -0.04 1.64 1.32 1zvjA1 LEU 302 HD13 -0.07 -0.02 -0.08 -0.04 0.93 0.71 1zvjA1 LEU 302 HD23 -0.09 0.01 -0.11 -0.04 0.89 0.65 1zvjA1 ASN 303 H -0.98 0.07 -0.05 -0.55 8.53 7.02 1zvjA1 ASN 303 HA -0.41 0.04 0.19 -0.75 4.76 3.82 1zvjA1 ASN 303 HB2 -1.55 0.01 0.08 -0.04 2.88 1.39 1zvjA1 ASN 303 HB3 -2.21 -0.01 -0.02 -0.04 2.79 0.51 1zvjA1 ASN 303 HD21 0.08 0.36 -0.02 -0.04 7.03 7.41 1zvjA1 ASN 303 HD22 0.14 0.06 0.09 -0.04 7.74 7.99 1zvjA1 PRO 304 HA -0.45 0.02 0.39 -0.51 4.44 3.88 1zvjA1 PRO 304 HB2 -0.30 0.09 -0.01 -0.04 2.28 2.02 1zvjA1 PRO 304 HB3 -0.23 -0.01 0.02 -0.04 2.02 1.76 1zvjA1 PRO 304 HG2 -0.40 0.08 -0.02 -0.04 2.03 1.66 1zvjA1 PRO 304 HG3 -1.05 -0.05 0.00 -0.04 2.03 0.90 1zvjA1 PRO 304 HD2 -1.08 0.21 -0.30 -0.04 3.68 2.47 1zvjA1 PRO 304 HD3 -1.95 0.04 0.02 -0.04 3.65 1.72 1zvjA1 THR 305 H -0.29 0.19 -0.22 -0.55 8.28 7.41 1zvjA1 THR 305 HA -0.07 0.02 0.42 -0.75 4.39 4.01 1zvjA1 THR 305 HB -0.13 0.11 0.08 -0.04 4.32 4.34 1zvjA1 THR 305 HG23 -0.06 0.00 -0.10 -0.04 1.22 1.03 1zvjA1 LEU 306 H -0.13 0.51 -0.14 -0.55 8.37 8.07 1zvjA1 LEU 306 HA 0.08 0.04 0.26 -0.75 4.35 3.97 1zvjA1 LEU 306 HB2 -0.07 0.05 0.04 -0.04 1.64 1.62 1zvjA1 LEU 306 HB3 -0.09 -0.02 -0.02 -0.04 1.64 1.47 1zvjA1 LEU 306 HG -0.09 0.14 -0.07 -0.04 1.64 1.59 1zvjA1 LEU 306 HD13 -0.09 -0.03 -0.15 -0.04 0.93 0.62 1zvjA1 LEU 306 HD23 0.10 -0.00 -0.08 -0.04 0.89 0.87 1zvjA1 TYR 307 H 0.23 0.36 -0.23 -0.55 8.29 8.09 1zvjA1 TYR 307 HA 0.03 0.09 0.47 -0.75 4.56 4.40 1zvjA1 TYR 307 HB2 0.14 0.05 0.11 -0.04 3.06 3.32 1zvjA1 TYR 307 HB3 0.09 -0.04 0.20 -0.04 2.98 3.20 1zvjA1 TYR 307 HD2 -0.03 0.12 0.06 -0.04 7.15 7.27 1zvjA1 TYR 307 HE2 -0.18 -0.05 0.02 -0.04 6.85 6.60 1zvjA1 GLN 308 H 0.08 0.38 -0.47 -0.55 8.47 7.91 1zvjA1 GLN 308 HA 0.06 0.10 0.85 -0.75 4.36 4.61 1zvjA1 GLN 308 HB2 0.01 -0.10 0.12 -0.04 2.15 2.14 1zvjA1 GLN 308 HB3 0.05 -0.05 -0.01 -0.04 2.02 1.97 1zvjA1 GLN 308 HG2 -0.00 -0.08 -0.01 -0.04 2.40 2.27 1zvjA1 GLN 308 HG3 0.01 0.45 0.17 -0.04 2.39 2.98 1zvjA1 GLN 308 HE21 -0.02 -0.03 -0.07 -0.04 6.97 6.81 1zvjA1 GLN 308 HE22 -0.02 0.17 -0.04 -0.04 7.69 7.76 1zvjA1 LEU 309 H 0.07 0.25 -0.08 -0.55 8.37 8.06 1zvjA1 LEU 309 HA 0.00 0.07 0.63 -0.75 4.35 4.29 1zvjA1 LEU 309 HB2 0.14 0.09 0.09 -0.04 1.64 1.92 1zvjA1 LEU 309 HB3 -0.05 -0.03 0.08 -0.04 1.64 1.61 1zvjA1 LEU 309 HG 0.01 0.38 0.01 -0.04 1.64 2.00 1zvjA1 LEU 309 HD13 -0.04 -0.03 -0.08 -0.04 0.93 0.73 1zvjA1 LEU 309 HD23 -0.04 -0.01 -0.01 -0.04 0.89 0.79 1zvjA1 PRO 310 HA 0.02 0.04 0.46 -0.51 4.44 4.45 1zvjA1 PRO 310 HB2 -0.04 -0.11 0.02 -0.04 2.28 2.10 1zvjA1 PRO 310 HB3 -0.01 -0.00 0.12 -0.04 2.02 2.08 1zvjA1 PRO 310 HG2 -0.05 0.05 0.09 -0.04 2.03 2.08 1zvjA1 PRO 310 HG3 -0.02 0.06 0.11 -0.04 2.03 2.13 1zvjA1 PRO 310 HD2 -0.06 0.11 0.20 -0.04 3.68 3.89 1zvjA1 PRO 310 HD3 -0.03 0.21 0.26 -0.04 3.65 4.04 1zvjA1 ALA 311 H 0.04 0.12 0.19 -0.55 8.40 8.21 1zvjA1 ALA 311 HA 0.21 0.18 0.41 -0.75 4.34 4.39 1zvjA1 ALA 311 HB3 0.06 0.00 0.13 -0.04 1.41 1.56 1zvjA1 ASP 312 H -0.01 0.04 -0.32 -0.55 8.40 7.56 1zvjA1 ASP 312 HA -0.00 0.19 0.30 -0.75 4.63 4.36 1zvjA1 ASP 312 HB2 -0.03 0.02 0.11 -0.04 2.71 2.78 1zvjA1 ASP 312 HB3 -0.01 -0.04 0.06 -0.04 2.70 2.68 1zvjA1 VAL 313 H -0.17 0.43 -0.62 -0.55 8.24 7.33 1zvjA1 VAL 313 HA -0.30 -0.01 0.52 -0.75 4.13 3.58 1zvjA1 VAL 313 HB -1.02 0.17 -0.04 -0.04 2.12 1.19 1zvjA1 VAL 313 HG13 -0.81 -0.04 -0.14 -0.04 0.97 -0.06 1zvjA1 VAL 313 HG23 -0.23 -0.01 -0.02 -0.04 0.95 0.65 1zvjA1 PHE 314 H -0.05 0.63 -0.15 -0.55 8.34 8.21 1zvjA1 PHE 314 HA -0.05 0.09 0.99 -0.75 4.62 4.89 1zvjA1 PHE 314 HB2 -0.06 0.06 -0.06 -0.04 3.15 3.06 1zvjA1 PHE 314 HB3 -0.07 0.02 -0.35 -0.04 3.06 2.62 1zvjA1 PHE 314 HD2 -0.11 -0.00 -0.19 -0.04 7.28 6.94 1zvjA1 PHE 314 HE2 -0.14 0.05 -0.12 -0.04 7.38 7.13 1zvjA1 PHE 314 HZ -0.14 -0.01 -0.03 -0.04 7.32 7.09 1zvjA1 HIS 315 H 0.18 0.75 0.19 -0.55 8.41 8.99 1zvjA1 HIS 315 HA 0.05 0.08 0.87 -0.75 4.63 4.87 1zvjA1 HIS 315 HB2 0.06 0.02 0.04 -0.04 3.26 3.34 1zvjA1 HIS 315 HB3 0.05 -0.06 0.15 -0.04 3.20 3.30 1zvjA1 HIS 315 HD2 0.04 0.00 0.01 -0.04 6.97 6.98 1zvjA1 HIS 315 HE1 0.05 -0.06 -0.09 -0.04 7.75 7.60 1zvjA1 ASP 316 H -0.22 0.17 0.08 -0.55 8.40 7.88 1zvjA1 ASP 316 HA -0.06 0.16 0.40 -0.75 4.63 4.37 1zvjA1 ASP 316 HB2 -0.06 0.06 0.09 -0.04 2.71 2.76 1zvjA1 ASP 316 HB3 -0.14 -0.09 0.08 -0.04 2.70 2.51 1zvjA1 ILE 317 H -0.03 0.18 0.11 -0.55 8.25 7.95 1zvjA1 ILE 317 HA 0.03 0.19 0.85 -0.75 4.18 4.50 1zvjA1 ILE 317 HB -0.01 0.00 -0.01 -0.04 1.89 1.83 1zvjA1 ILE 317 HG12 0.08 -0.11 -0.35 -0.04 1.49 1.07 1zvjA1 ILE 317 HG13 0.14 0.17 -0.21 -0.04 1.21 1.27 1zvjA1 ILE 317 HG23 0.02 -0.03 -0.25 -0.04 0.93 0.63 1zvjA1 ILE 317 HD13 0.10 0.04 -0.15 -0.04 0.88 0.83 1zvjA1 THR 318 H 0.01 0.11 0.12 -0.55 8.28 7.98 1zvjA1 THR 318 HA -0.02 0.45 0.96 -0.75 4.39 5.02 1zvjA1 THR 318 HB -0.01 -0.03 -0.07 -0.04 4.32 4.17 1zvjA1 THR 318 HG23 -0.03 0.03 -0.41 -0.04 1.22 0.77 1zvjA1 GLU 319 H 0.02 0.09 0.08 -0.55 8.60 8.25 1zvjA1 GLU 319 HA 0.01 0.26 0.99 -0.75 4.29 4.79 1zvjA1 GLU 319 HB2 0.02 0.08 -0.11 -0.04 2.09 2.04 1zvjA1 GLU 319 HB3 0.03 -0.02 0.10 -0.04 1.99 2.05 1zvjA1 GLU 319 HG2 0.03 -0.04 -0.36 -0.04 2.34 1.92 1zvjA1 GLU 319 HG3 0.02 0.00 -0.02 -0.04 2.34 2.30 1zvjA1 GLY 320 H 0.01 0.23 0.20 -0.55 8.43 8.31 1zvjA1 GLY 320 HA2 0.01 0.05 0.36 -0.51 4.01 3.92 1zvjA1 GLY 320 HA3 0.02 0.13 0.91 -0.51 4.01 4.55 1zvjA1 ASN 321 H -0.00 0.30 0.21 -0.55 8.53 8.48 1zvjA1 ASN 321 HA -0.00 0.22 0.71 -0.75 4.76 4.93 1zvjA1 ASN 321 HB2 -0.02 0.15 -0.16 -0.04 2.88 2.81 1zvjA1 ASN 321 HB3 -0.01 0.06 -0.15 -0.04 2.79 2.64 1zvjA1 ASN 321 HD21 -0.01 0.04 -0.02 -0.04 7.03 6.99 1zvjA1 ASN 321 HD22 -0.01 -0.05 -0.10 -0.04 7.74 7.54 1zvjA1 ASN 322 H 0.00 0.49 0.01 -0.55 8.53 8.48 1zvjA1 ASN 322 HA -0.07 0.23 0.89 -0.75 4.76 5.06 1zvjA1 ASN 322 HB2 -0.04 0.18 0.18 -0.04 2.88 3.15 1zvjA1 ASN 322 HB3 -0.01 0.00 -0.09 -0.04 2.79 2.66 1zvjA1 ASN 322 HD21 0.12 0.17 -0.15 -0.04 7.03 7.12 1zvjA1 ASN 322 HD22 0.04 0.43 -0.23 -0.04 7.74 7.94 1zvjA1 ASP 323 H -0.03 0.17 -0.40 -0.55 8.40 7.59 1zvjA1 ASP 323 HA 0.03 0.03 0.84 -0.75 4.63 4.77 1zvjA1 ASP 323 HB2 -0.04 0.09 -0.21 -0.04 2.71 2.51 1zvjA1 ASP 323 HB3 -0.02 0.04 0.08 -0.04 2.70 2.76 1zvjA1 ILE 324 H 0.00 0.11 0.18 -0.55 8.25 7.99 1zvjA1 ILE 324 HA -0.04 0.27 0.89 -0.75 4.18 4.55 1zvjA1 ILE 324 HB -0.05 -0.01 -0.11 -0.04 1.89 1.68 1zvjA1 ILE 324 HG12 -0.05 -0.05 -0.17 -0.04 1.49 1.18 1zvjA1 ILE 324 HG13 -0.02 0.04 -0.21 -0.04 1.21 0.97 1zvjA1 ILE 324 HG23 -0.14 0.00 -0.44 -0.04 0.93 0.31 1zvjA1 ILE 324 HD13 -0.07 0.02 -0.18 -0.04 0.88 0.60 1zvjA1 ALA 325 H 0.02 -0.04 0.07 -0.55 8.40 7.91 1zvjA1 ALA 325 HA -0.01 0.21 0.71 -0.75 4.34 4.50 1zvjA1 ALA 325 HB3 -0.02 0.00 0.05 -0.04 1.41 1.40 1zvjA1 ASN 326 H 0.02 0.08 -0.03 -0.55 8.53 8.06 1zvjA1 ASN 326 HA -0.00 0.23 0.53 -0.75 4.76 4.76 1zvjA1 ASN 326 HB2 0.01 -0.07 0.13 -0.04 2.88 2.91 1zvjA1 ASN 326 HB3 -0.01 0.21 -0.13 -0.04 2.79 2.82 1zvjA1 ASN 326 HD21 0.06 0.06 -0.11 -0.04 7.03 7.00 1zvjA1 ASN 326 HD22 -0.05 0.12 -0.22 -0.04 7.74 7.55 1zvjA1 ARG 327 H 0.00 0.22 0.08 -0.55 8.46 8.22 1zvjA1 ARG 327 HA -0.00 0.19 0.66 -0.75 4.34 4.44 1zvjA1 ARG 327 HB2 -0.00 0.02 0.07 -0.04 1.90 1.95 1zvjA1 ARG 327 HB3 -0.00 0.05 0.17 -0.04 1.80 1.98 1zvjA1 ARG 327 HG2 -0.00 0.04 -0.07 -0.04 1.67 1.60 1zvjA1 ARG 327 HG3 -0.00 -0.03 -0.03 -0.04 1.67 1.56 1zvjA1 ARG 327 HD2 -0.00 0.01 -0.02 -0.04 3.22 3.17 1zvjA1 ARG 327 HD3 -0.00 0.01 0.01 -0.04 3.22 3.19 1zvjA1 ALA 328 H 0.02 0.03 -0.47 -0.55 8.40 7.43 1zvjA1 ALA 328 HA -0.01 0.19 0.38 -0.75 4.34 4.15 1zvjA1 ALA 328 HB3 0.03 0.01 -0.01 -0.04 1.41 1.39 1zvjA1 GLN 329 H -0.02 0.06 -0.37 -0.55 8.47 7.60 1zvjA1 GLN 329 HA -0.04 -0.04 0.15 -0.75 4.36 3.68 1zvjA1 GLN 329 HB2 -0.03 0.25 -0.15 -0.04 2.15 2.18 1zvjA1 GLN 329 HB3 -0.03 -0.02 0.13 -0.04 2.02 2.06 1zvjA1 GLN 329 HG2 -0.02 -0.05 -0.06 -0.04 2.40 2.24 1zvjA1 GLN 329 HG3 -0.02 -0.00 -0.21 -0.04 2.39 2.12 1zvjA1 GLN 329 HE21 -0.00 0.01 -0.03 -0.04 6.97 6.90 1zvjA1 GLN 329 HE22 -0.01 -0.04 -0.04 -0.04 7.69 7.56 1zvjA1 ILE 330 H -0.13 -0.03 -0.29 -0.55 8.25 7.25 1zvjA1 ILE 330 HA -0.35 0.20 0.85 -0.75 4.18 4.13 1zvjA1 ILE 330 HB -0.61 -0.14 0.04 -0.04 1.89 1.14 1zvjA1 ILE 330 HG12 -0.40 0.06 -0.04 -0.04 1.49 1.07 1zvjA1 ILE 330 HG13 -0.22 0.18 -0.37 -0.04 1.21 0.76 1zvjA1 ILE 330 HG23 -1.72 0.00 -0.13 -0.04 0.93 -0.96 1zvjA1 ILE 330 HD13 -0.12 -0.03 -0.07 -0.04 0.88 0.63 1zvjA1 TYR 331 H 0.07 0.10 -0.04 -0.55 8.29 7.87 1zvjA1 TYR 331 HA -0.13 0.11 0.42 -0.75 4.56 4.22 1zvjA1 TYR 331 HB2 -0.09 0.08 -0.17 -0.04 3.06 2.85 1zvjA1 TYR 331 HB3 -0.08 0.13 -0.01 -0.04 2.98 2.98 1zvjA1 TYR 331 HD2 -0.07 0.10 -0.01 -0.04 7.15 7.13 1zvjA1 TYR 331 HE2 -0.05 0.11 0.06 -0.04 6.85 6.93 1zvjA1 GLN 332 H 0.07 0.19 0.16 -0.55 8.47 8.35 1zvjA1 GLN 332 HA -0.00 0.07 0.96 -0.75 4.36 4.63 1zvjA1 GLN 332 HB2 0.00 -0.01 0.15 -0.04 2.15 2.25 1zvjA1 GLN 332 HB3 0.01 0.14 -0.03 -0.04 2.02 2.09 1zvjA1 GLN 332 HG2 -0.00 0.08 0.08 -0.04 2.40 2.52 1zvjA1 GLN 332 HG3 -0.01 -0.11 0.02 -0.04 2.39 2.25 1zvjA1 GLN 332 HE21 -0.00 -0.05 0.02 -0.04 6.97 6.90 1zvjA1 GLN 332 HE22 0.00 0.09 0.02 -0.04 7.69 7.77 1zvjA1 ALA 333 H -0.01 0.69 0.24 -0.55 8.40 8.77 1zvjA1 ALA 333 HA -0.07 0.01 0.51 -0.75 4.34 4.03 1zvjA1 ALA 333 HB3 -0.03 -0.02 -0.39 -0.04 1.41 0.92 1zvjA1 GLY 334 H -0.06 0.34 0.10 -0.55 8.43 8.27 1zvjA1 GLY 334 HA2 -0.01 0.11 0.54 -0.51 4.01 4.14 1zvjA1 GLY 334 HA3 0.00 0.04 0.29 -0.51 4.01 3.84 1zvjA1 PRO 335 HA -0.01 -0.00 0.48 -0.51 4.44 4.40 1zvjA1 PRO 335 HB2 0.02 0.03 0.02 -0.04 2.28 2.31 1zvjA1 PRO 335 HB3 0.01 -0.02 0.08 -0.04 2.02 2.05 1zvjA1 PRO 335 HG2 0.02 0.00 0.08 -0.04 2.03 2.09 1zvjA1 PRO 335 HG3 0.01 -0.01 0.08 -0.04 2.03 2.07 1zvjA1 PRO 335 HD2 0.02 0.12 0.18 -0.04 3.68 3.97 1zvjA1 PRO 335 HD3 0.01 0.10 0.22 -0.04 3.65 3.94 1zvjA1 GLY 336 H -0.00 0.01 0.16 -0.55 8.43 8.05 1zvjA1 GLY 336 HA2 0.03 -0.01 0.32 -0.51 4.01 3.83 1zvjA1 GLY 336 HA3 0.07 0.05 0.46 -0.51 4.01 4.08 1zvjA1 TRP 337 H 0.24 0.03 0.12 -0.55 7.97 7.81 1zvjA1 TRP 337 HA -0.07 0.27 0.16 -0.75 4.62 4.23 1zvjA1 TRP 337 HB2 0.00 -0.05 0.07 -0.04 3.23 3.20 1zvjA1 TRP 337 HB3 0.03 0.21 0.07 -0.04 3.23 3.51 1zvjA1 TRP 337 HD1 -0.07 -0.00 -0.06 -0.04 7.22 7.05 1zvjA1 TRP 337 HE1 0.19 0.31 0.12 -0.04 10.20 10.77 1zvjA1 TRP 337 HE3 -0.00 0.19 -0.52 -0.04 7.59 7.21 1zvjA1 TRP 337 HZ2 -0.00 -0.06 -0.67 -0.04 7.44 6.67 1zvjA1 TRP 337 HZ3 -0.07 0.00 -0.11 -0.04 7.13 6.92 1zvjA1 TRP 337 HH2 -0.12 -0.03 -0.09 -0.04 7.19 6.91 1zvjA1 ASP 338 H -1.07 0.24 0.26 -0.55 8.40 7.27 1zvjA1 ASP 338 HA -0.25 0.26 0.48 -0.75 4.63 4.37 1zvjA1 ASP 338 HB2 -0.19 0.14 0.14 -0.04 2.71 2.76 1zvjA1 ASP 338 HB3 -0.12 0.23 -0.12 -0.04 2.70 2.65 1zvjA1 PRO 339 HA -0.67 0.28 0.39 -0.51 4.44 3.94 1zvjA1 PRO 339 HB2 -0.54 -0.11 0.06 -0.04 2.28 1.64 1zvjA1 PRO 339 HB3 -0.34 0.06 0.13 -0.04 2.02 1.84 1zvjA1 PRO 339 HG2 -0.08 -0.05 0.05 -0.04 2.03 1.90 1zvjA1 PRO 339 HG3 0.11 0.13 0.04 -0.04 2.03 2.27 1zvjA1 PRO 339 HD2 -0.11 0.16 0.03 -0.04 3.68 3.72 1zvjA1 PRO 339 HD3 -0.08 0.25 0.21 -0.04 3.65 3.99 1zvjA1 CYS 340 H -0.39 0.00 -0.82 -0.55 8.50 6.74 1zvjA1 CYS 340 HA -0.08 0.26 0.89 -0.75 4.58 4.90 1zvjA1 CYS 340 HB2 -0.10 0.01 -0.22 -0.04 2.97 2.61 1zvjA1 CYS 340 HB3 -0.03 -0.05 -0.22 -0.04 2.97 2.63 1zvjA1 THR 341 H -0.32 0.06 -0.03 -0.55 8.28 7.45 1zvjA1 THR 341 HA -0.07 0.09 0.61 -0.75 4.39 4.27 1zvjA1 THR 341 HB -0.07 -0.04 -0.13 -0.04 4.32 4.04 1zvjA1 THR 341 HG23 0.00 -0.03 -0.39 -0.04 1.22 0.76 1zvjA1 GLY 342 H -0.67 0.32 0.06 -0.55 8.43 7.59 1zvjA1 GLY 342 HA2 -1.59 0.18 0.28 -0.51 4.01 2.36 1zvjA1 GLY 342 HA3 -0.24 0.01 -0.09 -0.51 4.01 3.17 1zvjA1 LEU 343 H -0.19 0.70 0.17 -0.55 8.37 8.51 1zvjA1 LEU 343 HA -0.20 0.00 0.39 -0.75 4.35 3.79 1zvjA1 LEU 343 HB2 -0.76 0.09 0.14 -0.04 1.64 1.08 1zvjA1 LEU 343 HB3 -1.18 -0.03 0.02 -0.04 1.64 0.41 1zvjA1 LEU 343 HG -0.39 -0.03 0.12 -0.04 1.64 1.29 1zvjA1 LEU 343 HD13 -1.06 0.01 -0.10 -0.04 0.93 -0.26 1zvjA1 LEU 343 HD23 -0.37 -0.01 -0.00 -0.04 0.89 0.46 1zvjA1 GLY 344 H -0.18 0.37 -0.32 -0.55 8.43 7.76 1zvjA1 GLY 344 HA2 -0.05 -0.13 0.17 -0.51 4.01 3.50 1zvjA1 GLY 344 HA3 -0.03 0.30 0.73 -0.51 4.01 4.51 1zvjA1 SER 345 H 0.08 0.42 0.19 -0.55 8.46 8.60 1zvjA1 SER 345 HA -0.08 0.35 0.84 -0.75 4.49 4.84 1zvjA1 SER 345 HB2 -0.82 0.01 0.11 -0.04 3.95 3.21 1zvjA1 SER 345 HB3 -0.07 -0.13 0.05 -0.04 3.93 3.74 1zvjA1 PRO 346 HA 0.08 0.14 0.49 -0.51 4.44 4.64 1zvjA1 PRO 346 HB2 -0.25 0.03 -0.11 -0.04 2.28 1.91 1zvjA1 PRO 346 HB3 -0.12 0.03 0.01 -0.04 2.02 1.91 1zvjA1 PRO 346 HG2 -0.49 0.01 0.07 -0.04 2.03 1.58 1zvjA1 PRO 346 HG3 -1.20 -0.01 0.03 -0.04 2.03 0.80 1zvjA1 PRO 346 HD2 -0.37 0.05 0.26 -0.04 3.68 3.58 1zvjA1 PRO 346 HD3 -0.38 0.14 0.27 -0.04 3.65 3.64 1zvjA1 ILE 347 H -0.18 0.65 0.29 -0.55 8.25 8.46 1zvjA1 ILE 347 HA 0.04 0.21 0.81 -0.75 4.18 4.48 1zvjA1 ILE 347 HB -0.10 0.14 0.19 -0.04 1.89 2.07 1zvjA1 ILE 347 HG12 0.07 -0.02 -0.09 -0.04 1.49 1.42 1zvjA1 ILE 347 HG13 0.03 -0.05 -0.18 -0.04 1.21 0.98 1zvjA1 ILE 347 HG23 0.00 -0.06 -0.07 -0.04 0.93 0.76 1zvjA1 ILE 347 HD13 0.03 0.01 -0.38 -0.04 0.88 0.49 1zvjA1 GLY 348 H 0.07 0.78 0.15 -0.55 8.43 8.88 1zvjA1 GLY 348 HA2 -0.17 -0.05 0.22 -0.51 4.01 3.50 1zvjA1 GLY 348 HA3 -0.02 0.20 0.26 -0.51 4.01 3.93 1zvjA1 VAL 349 H -0.00 0.28 0.04 -0.55 8.24 8.01 1zvjA1 VAL 349 HA -0.04 0.06 0.48 -0.75 4.13 3.88 1zvjA1 VAL 349 HB -0.02 -0.02 0.04 -0.04 2.12 2.07 1zvjA1 VAL 349 HG13 0.01 0.05 -0.02 -0.04 0.97 0.97 1zvjA1 VAL 349 HG23 -0.00 0.02 0.02 -0.04 0.95 0.95 1zvjA1 ARG 350 H -0.07 0.26 -0.21 -0.55 8.46 7.88 1zvjA1 ARG 350 HA -0.08 0.04 0.55 -0.75 4.34 4.09 1zvjA1 ARG 350 HB2 -0.16 0.22 0.19 -0.04 1.90 2.11 1zvjA1 ARG 350 HB3 -0.13 -0.04 0.06 -0.04 1.80 1.64 1zvjA1 ARG 350 HG2 -0.06 -0.05 -0.02 -0.04 1.67 1.51 1zvjA1 ARG 350 HG3 -0.05 -0.11 0.00 -0.04 1.67 1.47 1zvjA1 ARG 350 HD2 -0.04 -0.05 0.01 -0.04 3.22 3.11 1zvjA1 ARG 350 HD3 -0.09 0.28 0.09 -0.04 3.22 3.46 1zvjA1 LEU 351 H -0.16 0.50 -0.02 -0.55 8.37 8.14 1zvjA1 LEU 351 HA -0.22 0.06 0.47 -0.75 4.35 3.91 1zvjA1 LEU 351 HB2 -0.24 -0.01 -0.01 -0.04 1.64 1.34 1zvjA1 LEU 351 HB3 -0.18 0.05 0.05 -0.04 1.64 1.53 1zvjA1 LEU 351 HG -0.14 0.03 -0.23 -0.04 1.64 1.25 1zvjA1 LEU 351 HD13 -0.14 -0.00 -0.04 -0.04 0.93 0.71 1zvjA1 LEU 351 HD23 -0.16 -0.02 -0.10 -0.04 0.89 0.57 1zvjA1 LEU 352 H -0.11 0.51 -0.07 -0.55 8.37 8.15 1zvjA1 LEU 352 HA -0.08 0.04 0.34 -0.75 4.35 3.89 1zvjA1 LEU 352 HB2 -0.08 0.01 0.14 -0.04 1.64 1.66 1zvjA1 LEU 352 HB3 -0.06 0.05 0.17 -0.04 1.64 1.75 1zvjA1 LEU 352 HG -0.05 0.02 -0.27 -0.04 1.64 1.30 1zvjA1 LEU 352 HD13 -0.05 -0.01 0.03 -0.04 0.93 0.86 1zvjA1 LEU 352 HD23 -0.04 -0.01 -0.02 -0.04 0.89 0.78 1zvjA1 GLN 353 H -0.07 0.45 -0.21 -0.55 8.47 8.09 1zvjA1 GLN 353 HA -0.05 0.00 0.43 -0.75 4.36 3.99 1zvjA1 GLN 353 HB2 -0.05 0.02 0.18 -0.04 2.15 2.26 1zvjA1 GLN 353 HB3 -0.07 0.04 0.22 -0.04 2.02 2.17 1zvjA1 GLN 353 HG2 -0.05 0.04 -0.22 -0.04 2.40 2.13 1zvjA1 GLN 353 HG3 -0.04 -0.03 0.02 -0.04 2.39 2.31 1zvjA1 GLN 353 HE21 -0.03 -0.07 -0.01 -0.04 6.97 6.82 1zvjA1 GLN 353 HE22 -0.03 0.01 -0.02 -0.04 7.69 7.61 1zvjA1 ALA 354 H -0.09 0.54 -0.19 -0.55 8.40 8.11 1zvjA1 ALA 354 HA -0.06 -0.04 0.39 -0.75 4.34 3.88 1zvjA1 ALA 354 HB3 -0.10 -0.02 0.14 -0.04 1.41 1.39 1zvjA1 LEU 355 H -0.07 0.33 -0.49 -0.55 8.37 7.59 1zvjA1 LEU 355 HA -0.05 0.12 0.86 -0.75 4.35 4.53 1zvjA1 LEU 355 HB2 -0.07 0.03 0.04 -0.04 1.64 1.60 1zvjA1 LEU 355 HB3 -0.05 -0.07 0.06 -0.04 1.64 1.53 1zvjA1 LEU 355 HG -0.08 0.03 -0.16 -0.04 1.64 1.39 1zvjA1 LEU 355 HD13 -0.08 -0.05 -0.13 -0.04 0.93 0.63 1zvjA1 LEU 355 HD23 -0.06 -0.01 -0.05 -0.04 0.89 0.73 1zvjA1 LEU 356 H -0.05 0.30 -0.12 -0.55 8.37 7.96 1zvjA1 LEU 356 HA -0.03 -0.02 0.37 -0.75 4.35 3.91 1zvjA1 LEU 356 HB2 -0.03 0.16 0.17 -0.04 1.64 1.89 1zvjA1 LEU 356 HB3 -0.03 0.03 0.03 -0.04 1.64 1.63 1zvjA1 LEU 356 HG -0.04 0.12 0.01 -0.04 1.64 1.69 1zvjA1 LEU 356 HD13 -0.03 -0.05 0.02 -0.04 0.93 0.83 1zvjA1 LEU 356 HD23 -0.03 -0.02 0.00 -0.04 0.89 0.81 1zvjA1 PRO 357 HA -0.02 0.08 0.35 -0.51 4.44 4.34 1zvjA1 PRO 357 HB2 -0.02 -0.07 0.08 -0.04 2.28 2.24 1zvjA1 PRO 357 HB3 -0.02 -0.02 0.08 -0.04 2.02 2.02 1zvjA1 PRO 357 HG2 -0.02 -0.05 0.07 -0.04 2.03 2.00 1zvjA1 PRO 357 HG3 -0.02 0.00 0.08 -0.04 2.03 2.06 1zvjA1 PRO 357 HD2 -0.02 0.01 0.18 -0.04 3.68 3.80 1zvjA1 PRO 357 HD3 -0.02 0.13 0.17 -0.04 3.65 3.89