============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 11 rings ring int. center anis. iso. TRP 1 1.040 39.503 -6.715 -8.099 -99.200 -91.000 TRP6 1 1.020 39.559 -8.338 -9.823 -99.200 -91.000 TRP 2 1.040 35.138 -1.632 -2.953 -99.200 -91.000 TRP6 2 1.020 35.824 0.585 -3.398 -99.200 -91.000 PHE 26 1.000 35.579 -5.391 1.542 -99.200 -91.000 HIS 45 0.900 49.363 0.635 -8.163 -99.200 -91.000 HIS 47 0.900 40.457 -0.073 -4.745 -99.200 -91.000 PHE 64 1.000 49.961 7.811 8.032 -99.200 -91.000 PHE 98 1.000 48.319 4.850 11.144 -99.200 -91.000 PHE 101 1.000 43.554 2.286 17.948 -99.200 -91.000 TYR 123 0.840 38.914 4.784 -2.898 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2zayB1 TRP 8 HA -0.04 0.02 0.18 -0.75 4.62 4.03 2zayB1 TRP 8 HB2 -0.10 -0.03 0.07 -0.04 3.23 3.13 2zayB1 TRP 8 HB3 -0.15 -0.01 0.14 -0.04 3.23 3.16 2zayB1 TRP 8 HD1 0.08 -0.03 -0.32 -0.04 7.22 6.91 2zayB1 TRP 8 HE1 0.05 0.00 -0.07 -0.04 10.20 10.14 2zayB1 TRP 8 HE3 -0.04 -0.01 0.02 -0.04 7.59 7.52 2zayB1 TRP 8 HZ2 0.01 -0.01 -0.02 -0.04 7.44 7.39 2zayB1 TRP 8 HZ3 -0.02 -0.02 0.00 -0.04 7.13 7.05 2zayB1 TRP 8 HH2 -0.00 -0.03 -0.01 -0.04 7.19 7.12 2zayB1 TRP 9 H 0.25 0.17 0.11 -0.55 7.97 7.96 2zayB1 TRP 9 HA -0.03 0.14 0.74 -0.75 4.62 4.71 2zayB1 TRP 9 HB2 0.39 -0.06 0.09 -0.04 3.23 3.61 2zayB1 TRP 9 HB3 0.19 -0.01 -0.07 -0.04 3.23 3.30 2zayB1 TRP 9 HD1 -0.08 0.02 -0.02 -0.04 7.22 7.09 2zayB1 TRP 9 HE1 -0.04 -0.02 -0.04 -0.04 10.20 10.06 2zayB1 TRP 9 HE3 -0.91 -0.02 0.06 -0.04 7.59 6.68 2zayB1 TRP 9 HZ2 -0.06 -0.02 -0.04 -0.04 7.44 7.28 2zayB1 TRP 9 HZ3 -1.48 0.05 0.03 -0.04 7.13 5.69 2zayB1 TRP 9 HH2 -0.19 -0.01 0.00 -0.04 7.19 6.96 2zayB1 ARG 10 H 1.11 0.20 0.25 -0.55 8.46 9.46 2zayB1 ARG 10 HA 0.34 0.29 0.92 -0.75 4.34 5.13 2zayB1 ARG 10 HB2 0.20 -0.15 0.26 -0.04 1.90 2.17 2zayB1 ARG 10 HB3 0.21 0.02 -0.01 -0.04 1.80 1.97 2zayB1 ARG 10 HG2 0.49 -0.03 -0.08 -0.04 1.67 2.00 2zayB1 ARG 10 HG3 0.48 0.06 0.02 -0.04 1.67 2.19 2zayB1 ARG 10 HD2 0.02 0.21 -0.04 -0.04 3.22 3.36 2zayB1 ARG 10 HD3 0.16 -0.02 -0.03 -0.04 3.22 3.29 2zayB1 ILE 11 H 0.17 0.73 0.28 -0.55 8.25 8.87 2zayB1 ILE 11 HA 0.08 0.30 1.01 -0.75 4.18 4.81 2zayB1 ILE 11 HB -0.03 -0.09 -0.01 -0.04 1.89 1.72 2zayB1 ILE 11 HG12 0.08 0.03 -0.38 -0.04 1.49 1.19 2zayB1 ILE 11 HG13 -0.58 -0.05 -0.18 -0.04 1.21 0.36 2zayB1 ILE 11 HG23 -0.10 -0.01 -0.23 -0.04 0.93 0.56 2zayB1 ILE 11 HD13 -0.10 0.04 -0.25 -0.04 0.88 0.53 2zayB1 MET 12 H 0.05 0.62 0.34 -0.55 8.47 8.94 2zayB1 MET 12 HA 0.04 0.23 1.02 -0.75 4.52 5.06 2zayB1 MET 12 HB2 0.04 0.03 0.01 -0.04 2.15 2.19 2zayB1 MET 12 HB3 0.04 -0.02 0.14 -0.04 2.03 2.14 2zayB1 MET 12 HG2 0.03 -0.10 -0.36 -0.04 2.63 2.16 2zayB1 MET 12 HG3 0.03 0.09 -0.12 -0.04 2.56 2.52 2zayB1 MET 12 HE3 0.00 -0.01 -0.37 -0.04 2.10 1.68 2zayB1 LEU 13 H 0.02 0.81 0.37 -0.55 8.37 9.03 2zayB1 LEU 13 HA 0.01 0.28 1.05 -0.75 4.35 4.94 2zayB1 LEU 13 HB2 0.01 -0.01 0.06 -0.04 1.64 1.66 2zayB1 LEU 13 HB3 0.00 -0.09 -0.09 -0.04 1.64 1.42 2zayB1 LEU 13 HG -0.02 0.06 -0.33 -0.04 1.64 1.31 2zayB1 LEU 13 HD13 -0.01 -0.01 -0.15 -0.04 0.93 0.71 2zayB1 LEU 13 HD23 -0.02 -0.00 -0.11 -0.04 0.89 0.71 2zayB1 VAL 14 H 0.03 0.77 0.40 -0.55 8.24 8.88 2zayB1 VAL 14 HA 0.02 0.35 1.10 -0.75 4.13 4.84 2zayB1 VAL 14 HB 0.05 -0.10 0.18 -0.04 2.12 2.21 2zayB1 VAL 14 HG13 0.03 -0.03 -0.14 -0.04 0.97 0.80 2zayB1 VAL 14 HG23 0.03 0.04 -0.21 -0.04 0.95 0.78 2zayB1 ASP 15 H 0.01 0.64 0.24 -0.55 8.40 8.74 2zayB1 ASP 15 HA 0.01 -0.01 0.54 -0.75 4.63 4.42 2zayB1 ASP 15 HB2 -0.00 0.20 -0.32 -0.04 2.71 2.54 2zayB1 ASP 15 HB3 -0.00 0.01 -0.21 -0.04 2.70 2.46 2zayB1 THR 16 H 0.01 0.15 0.13 -0.55 8.28 8.02 2zayB1 THR 16 HA 0.01 0.35 0.70 -0.75 4.39 4.70 2zayB1 THR 16 HB 0.01 0.07 0.25 -0.04 4.32 4.60 2zayB1 THR 16 HG23 0.01 0.02 0.10 -0.04 1.22 1.31 2zayB1 GLN 17 H 0.00 -0.01 -0.56 -0.55 8.47 7.35 2zayB1 GLN 17 HA -0.00 0.26 0.81 -0.75 4.36 4.67 2zayB1 GLN 17 HB2 -0.00 0.05 -0.10 -0.04 2.15 2.06 2zayB1 GLN 17 HB3 -0.01 -0.04 0.08 -0.04 2.02 2.01 2zayB1 GLN 17 HG2 -0.01 -0.17 0.11 -0.04 2.40 2.29 2zayB1 GLN 17 HG3 -0.00 0.09 0.06 -0.04 2.39 2.50 2zayB1 GLN 17 HE21 -0.01 0.03 -0.00 -0.04 6.97 6.95 2zayB1 GLN 17 HE22 -0.00 0.02 -0.02 -0.04 7.69 7.65 2zayB1 LEU 18 H 0.00 0.29 -0.19 -0.55 8.37 7.92 2zayB1 LEU 18 HA -0.00 0.03 0.31 -0.75 4.35 3.93 2zayB1 LEU 18 HB2 0.00 0.06 0.03 -0.04 1.64 1.69 2zayB1 LEU 18 HB3 0.00 0.01 -0.08 -0.04 1.64 1.53 2zayB1 LEU 18 HG 0.00 0.29 0.03 -0.04 1.64 1.93 2zayB1 LEU 18 HD13 0.01 -0.01 -0.21 -0.04 0.93 0.68 2zayB1 LEU 18 HD23 0.00 -0.00 -0.13 -0.04 0.89 0.71 2zayB1 PRO 19 HA -0.00 0.09 0.44 -0.51 4.44 4.46 2zayB1 PRO 19 HB2 -0.00 0.04 -0.01 -0.04 2.28 2.27 2zayB1 PRO 19 HB3 -0.00 0.08 0.06 -0.04 2.02 2.12 2zayB1 PRO 19 HG2 0.00 0.10 0.03 -0.04 2.03 2.12 2zayB1 PRO 19 HG3 0.00 0.07 0.03 -0.04 2.03 2.09 2zayB1 PRO 19 HD2 -0.00 0.06 -0.15 -0.04 3.68 3.54 2zayB1 PRO 19 HD3 0.00 0.07 0.05 -0.04 3.65 3.74 2zayB1 ALA 20 H -0.00 0.27 -0.37 -0.55 8.40 7.75 2zayB1 ALA 20 HA -0.01 0.09 0.39 -0.75 4.34 4.05 2zayB1 ALA 20 HB3 -0.01 0.04 0.08 -0.04 1.41 1.48 2zayB1 LEU 21 H -0.01 0.51 -0.51 -0.55 8.37 7.82 2zayB1 LEU 21 HA -0.01 0.14 0.85 -0.75 4.35 4.57 2zayB1 LEU 21 HB2 -0.01 0.14 0.00 -0.04 1.64 1.73 2zayB1 LEU 21 HB3 -0.02 -0.07 0.07 -0.04 1.64 1.58 2zayB1 LEU 21 HG -0.02 0.03 -0.19 -0.04 1.64 1.42 2zayB1 LEU 21 HD13 -0.02 -0.01 -0.15 -0.04 0.93 0.71 2zayB1 LEU 21 HD23 -0.03 0.02 -0.11 -0.04 0.89 0.73 2zayB1 ALA 22 H -0.00 0.48 -0.18 -0.55 8.40 8.15 2zayB1 ALA 22 HA -0.00 0.03 0.35 -0.75 4.34 3.96 2zayB1 ALA 22 HB3 -0.00 0.02 0.12 -0.04 1.41 1.51 2zayB1 ALA 23 H -0.00 0.18 -0.28 -0.55 8.40 7.74 2zayB1 ALA 23 HA 0.00 0.12 0.46 -0.75 4.34 4.16 2zayB1 ALA 23 HB3 -0.00 0.02 0.05 -0.04 1.41 1.44 2zayB1 SER 24 H -0.01 0.22 -0.19 -0.55 8.46 7.94 2zayB1 SER 24 HA -0.00 0.01 0.49 -0.75 4.49 4.23 2zayB1 SER 24 HB2 -0.01 0.14 0.10 -0.04 3.95 4.13 2zayB1 SER 24 HB3 -0.02 -0.01 -0.04 -0.04 3.93 3.81 2zayB1 ILE 25 H -0.00 0.60 -0.08 -0.55 8.25 8.21 2zayB1 ILE 25 HA 0.01 0.03 0.32 -0.75 4.18 3.79 2zayB1 ILE 25 HB 0.01 0.10 0.06 -0.04 1.89 2.02 2zayB1 ILE 25 HG12 -0.00 -0.02 -0.09 -0.04 1.49 1.34 2zayB1 ILE 25 HG13 -0.00 0.20 -0.12 -0.04 1.21 1.24 2zayB1 ILE 25 HG23 0.01 0.00 -0.12 -0.04 0.93 0.79 2zayB1 ILE 25 HD13 0.00 -0.02 -0.15 -0.04 0.88 0.68 2zayB1 SER 26 H 0.01 0.46 -0.24 -0.55 8.46 8.14 2zayB1 SER 26 HA 0.01 0.05 0.40 -0.75 4.49 4.19 2zayB1 SER 26 HB2 0.01 0.10 0.15 -0.04 3.95 4.16 2zayB1 SER 26 HB3 0.00 -0.02 0.03 -0.04 3.93 3.90 2zayB1 ALA 27 H 0.01 0.37 -0.24 -0.55 8.40 8.00 2zayB1 ALA 27 HA 0.02 0.03 0.40 -0.75 4.34 4.04 2zayB1 ALA 27 HB3 0.02 0.02 0.12 -0.04 1.41 1.53 2zayB1 LEU 28 H 0.05 0.60 -0.08 -0.55 8.37 8.38 2zayB1 LEU 28 HA 0.23 0.02 0.41 -0.75 4.35 4.25 2zayB1 LEU 28 HB2 0.07 0.08 0.08 -0.04 1.64 1.82 2zayB1 LEU 28 HB3 0.17 -0.01 -0.05 -0.04 1.64 1.70 2zayB1 LEU 28 HG 0.02 0.11 0.00 -0.04 1.64 1.73 2zayB1 LEU 28 HD13 -0.10 -0.02 -0.16 -0.04 0.93 0.60 2zayB1 LEU 28 HD23 0.04 -0.01 -0.08 -0.04 0.89 0.80 2zayB1 SER 29 H 0.06 0.58 -0.16 -0.55 8.46 8.39 2zayB1 SER 29 HA 0.06 0.23 0.49 -0.75 4.49 4.52 2zayB1 SER 29 HB2 0.02 0.03 0.19 -0.04 3.95 4.15 2zayB1 SER 29 HB3 0.00 -0.03 0.04 -0.04 3.93 3.91 2zayB1 GLN 30 H 0.02 0.67 -0.06 -0.55 8.47 8.56 2zayB1 GLN 30 HA -0.02 -0.00 0.39 -0.75 4.36 3.97 2zayB1 GLN 30 HB2 0.00 0.01 0.14 -0.04 2.15 2.26 2zayB1 GLN 30 HB3 0.01 0.10 0.14 -0.04 2.02 2.23 2zayB1 GLN 30 HG2 -0.01 0.02 -0.08 -0.04 2.40 2.28 2zayB1 GLN 30 HG3 -0.01 -0.03 0.07 -0.04 2.39 2.38 2zayB1 GLN 30 HE21 -0.00 -0.05 -0.01 -0.04 6.97 6.86 2zayB1 GLN 30 HE22 -0.01 0.01 -0.01 -0.04 7.69 7.65 2zayB1 GLU 31 H 0.03 0.30 -0.45 -0.55 8.60 7.93 2zayB1 GLU 31 HA -0.05 0.01 0.44 -0.75 4.29 3.94 2zayB1 GLU 31 HB2 0.05 0.01 0.12 -0.04 2.09 2.22 2zayB1 GLU 31 HB3 0.05 0.09 0.12 -0.04 1.99 2.20 2zayB1 GLU 31 HG2 -0.22 0.02 0.00 -0.04 2.34 2.10 2zayB1 GLU 31 HG3 -0.05 -0.02 0.10 -0.04 2.34 2.32 2zayB1 GLY 32 H -0.06 0.42 -0.35 -0.55 8.43 7.90 2zayB1 GLY 32 HA2 -0.13 0.01 0.27 -0.51 4.01 3.66 2zayB1 GLY 32 HA3 -0.19 0.14 0.94 -0.51 4.01 4.39 2zayB1 PHE 33 H -0.00 0.35 0.11 -0.55 8.34 8.25 2zayB1 PHE 33 HA 0.08 0.13 0.61 -0.75 4.62 4.69 2zayB1 PHE 33 HB2 0.02 -0.03 -0.13 -0.04 3.15 2.96 2zayB1 PHE 33 HB3 0.06 -0.02 -0.18 -0.04 3.06 2.88 2zayB1 PHE 33 HD2 0.10 0.04 -0.02 -0.04 7.28 7.36 2zayB1 PHE 33 HE2 -0.15 -0.02 -0.07 -0.04 7.38 7.10 2zayB1 PHE 33 HZ -0.13 -0.01 -0.08 -0.04 7.32 7.06 2zayB1 ASP 34 H 0.25 0.81 0.29 -0.55 8.40 9.20 2zayB1 ASP 34 HA -0.03 0.07 0.64 -0.75 4.63 4.56 2zayB1 ASP 34 HB2 -0.18 0.05 -0.01 -0.04 2.71 2.53 2zayB1 ASP 34 HB3 0.23 -0.06 0.13 -0.04 2.70 2.96 2zayB1 ILE 35 H 0.05 0.21 0.08 -0.55 8.25 8.04 2zayB1 ILE 35 HA 0.07 0.29 0.83 -0.75 4.18 4.62 2zayB1 ILE 35 HB 0.04 -0.03 0.08 -0.04 1.89 1.93 2zayB1 ILE 35 HG12 0.09 0.17 -0.21 -0.04 1.49 1.51 2zayB1 ILE 35 HG13 0.05 -0.03 -0.06 -0.04 1.21 1.13 2zayB1 ILE 35 HG23 0.02 -0.03 -0.21 -0.04 0.93 0.66 2zayB1 ILE 35 HD13 0.04 -0.01 -0.26 -0.04 0.88 0.62 2zayB1 ILE 36 H 0.06 0.82 0.38 -0.55 8.25 8.95 2zayB1 ILE 36 HA 0.04 0.13 0.81 -0.75 4.18 4.40 2zayB1 ILE 36 HB 0.05 -0.08 0.09 -0.04 1.89 1.91 2zayB1 ILE 36 HG12 0.08 0.02 -0.15 -0.04 1.49 1.40 2zayB1 ILE 36 HG13 0.10 0.03 -0.28 -0.04 1.21 1.02 2zayB1 ILE 36 HG23 0.03 0.00 -0.20 -0.04 0.93 0.73 2zayB1 ILE 36 HD13 0.08 0.01 -0.18 -0.04 0.88 0.75 2zayB1 GLN 37 H 0.02 0.20 0.13 -0.55 8.47 8.28 2zayB1 GLN 37 HA 0.02 0.21 0.90 -0.75 4.36 4.74 2zayB1 GLN 37 HB2 0.01 0.01 0.06 -0.04 2.15 2.19 2zayB1 GLN 37 HB3 0.01 -0.06 -0.02 -0.04 2.02 1.91 2zayB1 GLN 37 HG2 0.01 -0.01 -0.14 -0.04 2.40 2.23 2zayB1 GLN 37 HG3 0.02 0.09 -0.13 -0.04 2.39 2.32 2zayB1 GLN 37 HE21 0.01 -0.02 -0.05 -0.04 6.97 6.87 2zayB1 GLN 37 HE22 0.01 0.09 -0.05 -0.04 7.69 7.71 2zayB1 CYS 38 H 0.01 0.60 0.32 -0.55 8.50 8.88 2zayB1 CYS 38 HA 0.01 0.13 0.80 -0.75 4.58 4.76 2zayB1 CYS 38 HB2 0.01 0.13 -0.20 -0.04 2.97 2.88 2zayB1 CYS 38 HB3 0.02 -0.02 0.09 -0.04 2.97 3.01 2zayB1 GLY 39 H 0.01 0.22 0.09 -0.55 8.43 8.20 2zayB1 GLY 39 HA2 0.01 0.33 0.68 -0.51 4.01 4.52 2zayB1 GLY 39 HA3 0.01 0.04 0.36 -0.51 4.01 3.91 2zayB1 ASN 40 H 0.01 0.17 -0.24 -0.55 8.53 7.92 2zayB1 ASN 40 HA 0.01 0.14 0.71 -0.75 4.76 4.86 2zayB1 ASN 40 HB2 0.01 -0.00 0.06 -0.04 2.88 2.91 2zayB1 ASN 40 HB3 0.01 0.14 -0.19 -0.04 2.79 2.70 2zayB1 ASN 40 HD21 0.01 0.08 -0.02 -0.04 7.03 7.06 2zayB1 ASN 40 HD22 0.01 0.04 -0.09 -0.04 7.74 7.65 2zayB1 ALA 41 H 0.02 0.23 0.08 -0.55 8.40 8.18 2zayB1 ALA 41 HA 0.02 0.05 0.33 -0.75 4.34 3.99 2zayB1 ALA 41 HB3 0.02 0.03 0.04 -0.04 1.41 1.47 2zayB1 ILE 42 H 0.01 0.07 -0.24 -0.55 8.25 7.55 2zayB1 ILE 42 HA 0.01 0.10 0.35 -0.75 4.18 3.89 2zayB1 ILE 42 HB 0.01 -0.01 -0.02 -0.04 1.89 1.82 2zayB1 ILE 42 HG12 0.01 0.04 0.01 -0.04 1.49 1.51 2zayB1 ILE 42 HG13 0.01 -0.12 0.03 -0.04 1.21 1.09 2zayB1 ILE 42 HG23 0.00 0.02 -0.03 -0.04 0.93 0.88 2zayB1 ILE 42 HD13 0.01 0.02 -0.00 -0.04 0.88 0.86 2zayB1 GLU 43 H 0.01 0.27 -0.30 -0.55 8.60 8.03 2zayB1 GLU 43 HA 0.00 0.21 0.75 -0.75 4.29 4.49 2zayB1 GLU 43 HB2 0.01 0.00 0.03 -0.04 2.09 2.09 2zayB1 GLU 43 HB3 0.00 0.03 0.07 -0.04 1.99 2.04 2zayB1 GLU 43 HG2 0.00 0.07 -0.07 -0.04 2.34 2.30 2zayB1 GLU 43 HG3 0.00 -0.11 -0.10 -0.04 2.34 2.09 2zayB1 ALA 44 H 0.01 0.24 -0.22 -0.55 8.40 7.89 2zayB1 ALA 44 HA 0.01 0.02 0.28 -0.75 4.34 3.89 2zayB1 ALA 44 HB3 0.02 0.02 0.03 -0.04 1.41 1.44 2zayB1 VAL 45 H -0.00 0.19 -0.14 -0.55 8.24 7.74 2zayB1 VAL 45 HA -0.02 0.07 0.38 -0.75 4.13 3.81 2zayB1 VAL 45 HB -0.01 0.06 0.02 -0.04 2.12 2.14 2zayB1 VAL 45 HG13 -0.03 0.02 -0.15 -0.04 0.97 0.77 2zayB1 VAL 45 HG23 -0.01 0.00 -0.07 -0.04 0.95 0.83 2zayB1 PRO 46 HA -0.03 0.06 0.39 -0.51 4.44 4.35 2zayB1 PRO 46 HB2 -0.01 0.07 0.05 -0.04 2.28 2.35 2zayB1 PRO 46 HB3 -0.01 0.02 0.06 -0.04 2.02 2.04 2zayB1 PRO 46 HG2 -0.01 0.08 0.10 -0.04 2.03 2.15 2zayB1 PRO 46 HG3 -0.01 0.02 0.04 -0.04 2.03 2.04 2zayB1 PRO 46 HD2 -0.01 0.01 -0.44 -0.04 3.68 3.21 2zayB1 PRO 46 HD3 -0.01 0.05 0.02 -0.04 3.65 3.66 2zayB1 VAL 47 H -0.02 0.57 -0.28 -0.55 8.24 7.97 2zayB1 VAL 47 HA -0.03 0.03 0.41 -0.75 4.13 3.79 2zayB1 VAL 47 HB -0.01 0.09 0.05 -0.04 2.12 2.22 2zayB1 VAL 47 HG13 -0.00 -0.01 -0.17 -0.04 0.97 0.75 2zayB1 VAL 47 HG23 -0.00 0.03 -0.01 -0.04 0.95 0.92 2zayB1 ALA 48 H -0.03 0.53 -0.07 -0.55 8.40 8.28 2zayB1 ALA 48 HA -0.05 0.01 0.39 -0.75 4.34 3.94 2zayB1 ALA 48 HB3 -0.03 0.01 0.06 -0.04 1.41 1.42 2zayB1 VAL 49 H -0.08 0.61 -0.14 -0.55 8.24 8.08 2zayB1 VAL 49 HA -0.18 0.04 0.36 -0.75 4.13 3.59 2zayB1 VAL 49 HB -0.07 0.08 0.09 -0.04 2.12 2.18 2zayB1 VAL 49 HG13 -0.03 -0.02 -0.06 -0.04 0.97 0.82 2zayB1 VAL 49 HG23 -0.04 0.01 -0.01 -0.04 0.95 0.87 2zayB1 LYS 50 H -0.14 0.30 -0.36 -0.55 8.42 7.67 2zayB1 LYS 50 HA -0.16 0.15 0.78 -0.75 4.32 4.34 2zayB1 LYS 50 HB2 -0.03 -0.06 0.08 -0.04 1.87 1.81 2zayB1 LYS 50 HB3 -0.05 -0.02 0.06 -0.04 1.79 1.73 2zayB1 LYS 50 HG2 -0.05 0.06 0.15 -0.04 1.46 1.59 2zayB1 LYS 50 HG3 -0.04 0.08 -0.18 -0.04 1.46 1.28 2zayB1 LYS 50 HD2 -0.01 -0.06 -0.05 -0.04 1.69 1.53 2zayB1 LYS 50 HD3 -0.01 -0.02 -0.05 -0.04 1.68 1.56 2zayB1 LYS 50 HE2 -0.01 -0.06 -0.04 -0.04 2.99 2.85 2zayB1 LYS 50 HE3 -0.02 0.03 -0.03 -0.04 2.99 2.93 2zayB1 THR 51 H -0.17 0.38 -0.07 -0.55 8.28 7.87 2zayB1 THR 51 HA -0.00 0.19 0.93 -0.75 4.39 4.75 2zayB1 THR 51 HB 0.04 -0.05 0.01 -0.04 4.32 4.28 2zayB1 THR 51 HG23 0.01 -0.02 -0.08 -0.04 1.22 1.08 2zayB1 HIS 52 H -0.39 0.41 -0.07 -0.55 8.41 7.81 2zayB1 HIS 52 HA -0.02 0.10 0.33 -0.75 4.63 4.29 2zayB1 HIS 52 HB2 -0.07 0.06 -0.17 -0.04 3.26 3.04 2zayB1 HIS 52 HB3 -0.07 -0.01 0.08 -0.04 3.20 3.17 2zayB1 HIS 52 HD2 -0.04 0.01 -0.29 -0.04 6.97 6.61 2zayB1 HIS 52 HE1 -0.02 -0.13 0.05 -0.04 7.75 7.61 2zayB1 PRO 53 HA 0.05 0.03 0.41 -0.51 4.44 4.43 2zayB1 PRO 53 HB2 0.08 0.06 -0.07 -0.04 2.28 2.31 2zayB1 PRO 53 HB3 0.06 -0.06 -0.10 -0.04 2.02 1.88 2zayB1 PRO 53 HG2 0.04 0.07 -0.07 -0.04 2.03 2.03 2zayB1 PRO 53 HG3 0.02 -0.08 -0.04 -0.04 2.03 1.89 2zayB1 PRO 53 HD2 -0.02 0.20 0.19 -0.04 3.68 4.00 2zayB1 PRO 53 HD3 -0.01 0.02 -0.07 -0.04 3.65 3.55 2zayB1 HIS 54 H 0.20 0.36 0.40 -0.55 8.41 8.83 2zayB1 HIS 54 HA 0.26 0.14 0.61 -0.75 4.63 4.90 2zayB1 HIS 54 HB2 0.25 -0.01 0.16 -0.04 3.26 3.62 2zayB1 HIS 54 HB3 -0.01 -0.02 0.11 -0.04 3.20 3.23 2zayB1 HIS 54 HD2 -0.07 0.01 0.07 -0.04 6.97 6.94 2zayB1 HIS 54 HE1 0.01 0.21 0.20 -0.04 7.75 8.12 2zayB1 LEU 55 H 0.17 0.26 0.08 -0.55 8.37 8.33 2zayB1 LEU 55 HA 0.13 0.30 0.58 -0.75 4.35 4.61 2zayB1 LEU 55 HB2 0.11 0.13 -0.17 -0.04 1.64 1.67 2zayB1 LEU 55 HB3 0.03 -0.11 -0.06 -0.04 1.64 1.46 2zayB1 LEU 55 HG 0.06 0.12 -0.08 -0.04 1.64 1.69 2zayB1 LEU 55 HD13 -0.02 -0.02 -0.10 -0.04 0.93 0.76 2zayB1 LEU 55 HD23 -0.02 -0.05 -0.46 -0.04 0.89 0.32 2zayB1 ILE 56 H 0.08 0.70 0.27 -0.55 8.25 8.74 2zayB1 ILE 56 HA 0.05 0.20 1.06 -0.75 4.18 4.73 2zayB1 ILE 56 HB 0.06 0.06 0.04 -0.04 1.89 2.01 2zayB1 ILE 56 HG12 0.04 -0.05 -0.11 -0.04 1.49 1.33 2zayB1 ILE 56 HG13 0.05 0.01 -0.42 -0.04 1.21 0.81 2zayB1 ILE 56 HG23 0.06 -0.04 -0.25 -0.04 0.93 0.67 2zayB1 ILE 56 HD13 0.01 0.02 -0.12 -0.04 0.88 0.74 2zayB1 ILE 57 H 0.04 0.83 0.38 -0.55 8.25 8.94 2zayB1 ILE 57 HA 0.07 0.25 0.98 -0.75 4.18 4.72 2zayB1 ILE 57 HB -0.01 -0.05 0.12 -0.04 1.89 1.91 2zayB1 ILE 57 HG12 -0.01 0.03 -0.19 -0.04 1.49 1.28 2zayB1 ILE 57 HG13 -0.02 0.03 -0.36 -0.04 1.21 0.83 2zayB1 ILE 57 HG23 -0.03 -0.03 -0.21 -0.04 0.93 0.63 2zayB1 ILE 57 HD13 -0.08 -0.01 -0.18 -0.04 0.88 0.57 2zayB1 THR 58 H 0.11 0.68 0.32 -0.55 8.28 8.85 2zayB1 THR 58 HA 0.05 0.25 1.11 -0.75 4.39 5.05 2zayB1 THR 58 HB 0.12 0.04 -0.21 -0.04 4.32 4.23 2zayB1 THR 58 HG23 0.32 0.00 -0.16 -0.04 1.22 1.34 2zayB1 GLU 59 H 0.03 0.46 0.30 -0.55 8.60 8.84 2zayB1 GLU 59 HA -0.03 0.11 0.66 -0.75 4.29 4.28 2zayB1 GLU 59 HB2 -0.01 0.01 0.16 -0.04 2.09 2.21 2zayB1 GLU 59 HB3 0.01 -0.01 0.24 -0.04 1.99 2.20 2zayB1 GLU 59 HG2 0.00 0.01 -0.04 -0.04 2.34 2.27 2zayB1 GLU 59 HG3 0.01 -0.11 -0.25 -0.04 2.34 1.95 2zayB1 ALA 60 H -0.05 0.81 0.50 -0.55 8.40 9.12 2zayB1 ALA 60 HA -0.00 0.10 0.44 -0.75 4.34 4.13 2zayB1 ALA 60 HB3 -0.12 -0.02 0.13 -0.04 1.41 1.37 2zayB1 ASN 61 H 0.00 -0.01 -0.19 -0.55 8.53 7.79 2zayB1 ASN 61 HA 0.02 0.33 0.93 -0.75 4.76 5.28 2zayB1 ASN 61 HB2 0.01 -0.09 0.10 -0.04 2.88 2.86 2zayB1 ASN 61 HB3 0.01 0.07 0.17 -0.04 2.79 3.00 2zayB1 ASN 61 HD21 -0.00 -0.02 -0.08 -0.04 7.03 6.89 2zayB1 ASN 61 HD22 0.01 0.15 -0.05 -0.04 7.74 7.80 2zayB1 MET 62 H 0.03 0.26 -0.31 -0.55 8.47 7.90 2zayB1 MET 62 HA 0.02 0.06 0.53 -0.75 4.52 4.38 2zayB1 MET 62 HB2 0.04 0.05 0.03 -0.04 2.15 2.22 2zayB1 MET 62 HB3 0.03 0.03 0.08 -0.04 2.03 2.12 2zayB1 MET 62 HG2 0.02 -0.09 0.04 -0.04 2.63 2.56 2zayB1 MET 62 HG3 0.03 0.11 0.06 -0.04 2.56 2.71 2zayB1 MET 62 HE3 0.05 0.04 -0.05 -0.04 2.10 2.09 2zayB1 PRO 63 HA 0.02 0.04 0.44 -0.51 4.44 4.43 2zayB1 PRO 63 HB2 0.02 0.11 0.02 -0.04 2.28 2.38 2zayB1 PRO 63 HB3 0.01 0.04 0.14 -0.04 2.02 2.17 2zayB1 PRO 63 HG2 0.02 -0.06 0.10 -0.04 2.03 2.05 2zayB1 PRO 63 HG3 0.01 0.06 0.11 -0.04 2.03 2.17 2zayB1 PRO 63 HD2 0.02 -0.03 0.25 -0.04 3.68 3.88 2zayB1 PRO 63 HD3 0.01 0.17 0.21 -0.04 3.65 4.01 2zayB1 LYS 64 H 0.02 0.07 0.13 -0.55 8.42 8.09 2zayB1 LYS 64 HA 0.04 0.16 0.47 -0.75 4.32 4.23 2zayB1 LYS 64 HB2 0.02 -0.13 -0.09 -0.04 1.87 1.64 2zayB1 LYS 64 HB3 0.03 0.05 -0.27 -0.04 1.79 1.56 2zayB1 LYS 64 HG2 0.03 -0.02 0.00 -0.04 1.46 1.43 2zayB1 LYS 64 HG3 0.03 0.03 -0.16 -0.04 1.46 1.32 2zayB1 LYS 64 HD2 0.05 -0.07 -0.61 -0.04 1.69 1.03 2zayB1 LYS 64 HD3 0.05 0.07 -0.17 -0.04 1.68 1.59 2zayB1 LYS 64 HE2 0.06 -0.03 -0.02 -0.04 2.99 2.96 2zayB1 LYS 64 HE3 0.04 0.04 -0.05 -0.04 2.99 2.98 2zayB1 ILE 65 H 0.03 0.51 0.14 -0.55 8.25 8.38 2zayB1 ILE 65 HA 0.02 0.11 0.75 -0.75 4.18 4.30 2zayB1 ILE 65 HB 0.02 0.06 0.13 -0.04 1.89 2.06 2zayB1 ILE 65 HG12 0.01 0.06 -0.18 -0.04 1.49 1.33 2zayB1 ILE 65 HG13 0.02 -0.03 -0.20 -0.04 1.21 0.96 2zayB1 ILE 65 HG23 0.01 0.02 -0.09 -0.04 0.93 0.83 2zayB1 ILE 65 HD13 0.03 -0.04 -0.06 -0.04 0.88 0.77 2zayB1 SER 66 H 0.01 0.20 0.07 -0.55 8.46 8.19 2zayB1 SER 66 HA 0.01 0.03 0.30 -0.75 4.49 4.07 2zayB1 SER 66 HB2 0.01 0.03 0.15 -0.04 3.95 4.10 2zayB1 SER 66 HB3 0.01 -0.02 -0.02 -0.04 3.93 3.86 2zayB1 GLY 67 H 0.02 0.04 -0.34 -0.55 8.43 7.61 2zayB1 GLY 67 HA2 0.02 -0.04 0.19 -0.51 4.01 3.67 2zayB1 GLY 67 HA3 0.02 0.13 0.36 -0.51 4.01 4.01 2zayB1 MET 68 H 0.03 0.20 -0.45 -0.55 8.47 7.70 2zayB1 MET 68 HA 0.04 0.17 0.97 -0.75 4.52 4.94 2zayB1 MET 68 HB2 0.02 0.09 -0.17 -0.04 2.15 2.05 2zayB1 MET 68 HB3 0.02 0.08 0.01 -0.04 2.03 2.10 2zayB1 MET 68 HG2 0.03 0.15 -0.16 -0.04 2.63 2.61 2zayB1 MET 68 HG3 0.04 -0.10 0.04 -0.04 2.56 2.50 2zayB1 MET 68 HE3 0.01 0.01 -0.06 -0.04 2.10 2.03 2zayB1 ASP 69 H 0.07 0.17 0.12 -0.55 8.40 8.21 2zayB1 ASP 69 HA 0.09 0.12 0.44 -0.75 4.63 4.53 2zayB1 ASP 69 HB2 0.17 -0.14 0.04 -0.04 2.71 2.74 2zayB1 ASP 69 HB3 0.19 -0.01 0.13 -0.04 2.70 2.97 2zayB1 LEU 70 H 0.12 0.20 0.14 -0.55 8.37 8.28 2zayB1 LEU 70 HA 0.05 0.12 0.40 -0.75 4.35 4.16 2zayB1 LEU 70 HB2 0.07 0.01 0.09 -0.04 1.64 1.77 2zayB1 LEU 70 HB3 0.14 -0.01 0.08 -0.04 1.64 1.81 2zayB1 LEU 70 HG 0.06 0.08 -0.32 -0.04 1.64 1.42 2zayB1 LEU 70 HD13 0.02 0.00 -0.04 -0.04 0.93 0.87 2zayB1 LEU 70 HD23 0.07 -0.00 -0.09 -0.04 0.89 0.82 2zayB1 PHE 71 H 0.27 0.05 -0.15 -0.55 8.34 7.96 2zayB1 PHE 71 HA -0.13 0.14 0.23 -0.75 4.62 4.10 2zayB1 PHE 71 HB2 -0.28 -0.04 0.02 -0.04 3.15 2.81 2zayB1 PHE 71 HB3 -0.06 -0.09 -0.00 -0.04 3.06 2.86 2zayB1 PHE 71 HD2 -0.56 -0.08 -0.19 -0.04 7.28 6.42 2zayB1 PHE 71 HE2 -0.25 0.10 -0.12 -0.04 7.38 7.06 2zayB1 PHE 71 HZ -0.16 0.14 -0.13 -0.04 7.32 7.14 2zayB1 ASN 72 H 0.16 -0.02 -0.36 -0.55 8.53 7.76 2zayB1 ASN 72 HA -0.06 0.17 0.43 -0.75 4.76 4.55 2zayB1 ASN 72 HB2 0.07 -0.06 0.07 -0.04 2.88 2.91 2zayB1 ASN 72 HB3 0.03 0.06 -0.03 -0.04 2.79 2.82 2zayB1 ASN 72 HD21 0.12 0.06 0.02 -0.04 7.03 7.18 2zayB1 ASN 72 HD22 0.09 -0.12 0.06 -0.04 7.74 7.74 2zayB1 SER 73 H 0.00 0.37 -0.25 -0.55 8.46 8.03 2zayB1 SER 73 HA -0.02 0.04 0.35 -0.75 4.49 4.10 2zayB1 SER 73 HB2 -0.01 0.06 0.13 -0.04 3.95 4.09 2zayB1 SER 73 HB3 -0.01 -0.05 -0.02 -0.04 3.93 3.80 2zayB1 LEU 74 H -0.11 0.55 -0.26 -0.55 8.37 8.00 2zayB1 LEU 74 HA -0.08 -0.05 0.33 -0.75 4.35 3.80 2zayB1 LEU 74 HB2 -0.27 0.19 0.01 -0.04 1.64 1.53 2zayB1 LEU 74 HB3 -0.16 0.12 -0.12 -0.04 1.64 1.45 2zayB1 LEU 74 HG -0.06 -0.04 -0.07 -0.04 1.64 1.43 2zayB1 LEU 74 HD13 -0.06 -0.02 -0.18 -0.04 0.93 0.63 2zayB1 LEU 74 HD23 -0.04 -0.01 -0.08 -0.04 0.89 0.72 2zayB1 LYS 75 H -0.20 0.26 -0.49 -0.55 8.42 7.43 2zayB1 LYS 75 HA -0.16 0.09 0.47 -0.75 4.32 3.98 2zayB1 LYS 75 HB2 -0.14 0.14 0.14 -0.04 1.87 1.97 2zayB1 LYS 75 HB3 -0.11 -0.07 0.07 -0.04 1.79 1.65 2zayB1 LYS 75 HG2 -0.58 0.09 0.02 -0.04 1.46 0.95 2zayB1 LYS 75 HG3 -0.30 -0.09 0.01 -0.04 1.46 1.05 2zayB1 LYS 75 HD2 -0.11 -0.09 0.06 -0.04 1.69 1.50 2zayB1 LYS 75 HD3 -0.19 0.11 0.12 -0.04 1.68 1.67 2zayB1 LYS 75 HE2 -0.19 -0.07 0.00 -0.04 2.99 2.68 2zayB1 LYS 75 HE3 -0.08 -0.03 0.05 -0.04 2.99 2.89 2zayB1 LYS 76 H -0.07 0.38 -0.44 -0.55 8.42 7.74 2zayB1 LYS 76 HA -0.03 0.10 0.57 -0.75 4.32 4.19 2zayB1 LYS 76 HB2 -0.03 0.17 0.10 -0.04 1.87 2.07 2zayB1 LYS 76 HB3 -0.02 -0.09 0.11 -0.04 1.79 1.75 2zayB1 LYS 76 HG2 -0.02 -0.04 -0.01 -0.04 1.46 1.36 2zayB1 LYS 76 HG3 -0.03 0.13 -0.03 -0.04 1.46 1.49 2zayB1 LYS 76 HD2 -0.01 -0.05 -0.05 -0.04 1.69 1.54 2zayB1 LYS 76 HD3 -0.01 -0.02 -0.01 -0.04 1.68 1.60 2zayB1 LYS 76 HE2 -0.01 0.02 0.01 -0.04 2.99 2.96 2zayB1 LYS 76 HE3 -0.01 -0.02 0.00 -0.04 2.99 2.93 2zayB1 ASN 77 H -0.05 0.38 -0.40 -0.55 8.53 7.92 2zayB1 ASN 77 HA -0.02 0.23 0.96 -0.75 4.76 5.17 2zayB1 ASN 77 HB2 -0.03 0.03 -0.06 -0.04 2.88 2.78 2zayB1 ASN 77 HB3 -0.03 -0.01 0.13 -0.04 2.79 2.83 2zayB1 ASN 77 HD21 -0.01 0.01 0.00 -0.04 7.03 6.99 2zayB1 ASN 77 HD22 -0.02 0.01 -0.03 -0.04 7.74 7.66 2zayB1 PRO 78 HA -0.02 0.11 0.39 -0.51 4.44 4.41 2zayB1 PRO 78 HB2 -0.00 0.00 0.03 -0.04 2.28 2.27 2zayB1 PRO 78 HB3 -0.01 0.05 0.08 -0.04 2.02 2.09 2zayB1 PRO 78 HG2 -0.01 0.02 0.07 -0.04 2.03 2.07 2zayB1 PRO 78 HG3 -0.01 0.07 0.05 -0.04 2.03 2.10 2zayB1 PRO 78 HD2 -0.01 0.05 0.22 -0.04 3.68 3.91 2zayB1 PRO 78 HD3 -0.01 0.32 0.15 -0.04 3.65 4.07 2zayB1 GLN 79 H 0.01 0.04 -0.34 -0.55 8.47 7.62 2zayB1 GLN 79 HA 0.04 0.12 0.47 -0.75 4.36 4.23 2zayB1 GLN 79 HB2 0.03 -0.07 0.04 -0.04 2.15 2.11 2zayB1 GLN 79 HB3 0.14 0.10 0.02 -0.04 2.02 2.24 2zayB1 GLN 79 HG2 0.04 -0.09 0.02 -0.04 2.40 2.33 2zayB1 GLN 79 HG3 0.10 0.05 0.04 -0.04 2.39 2.53 2zayB1 GLN 79 HE21 0.00 0.01 -0.03 -0.04 6.97 6.91 2zayB1 GLN 79 HE22 0.02 -0.06 -0.05 -0.04 7.69 7.56 2zayB1 THR 80 H -0.01 0.24 -0.14 -0.55 8.28 7.82 2zayB1 THR 80 HA 0.01 0.25 0.92 -0.75 4.39 4.81 2zayB1 THR 80 HB -0.04 -0.04 0.06 -0.04 4.32 4.26 2zayB1 THR 80 HG23 -0.02 -0.02 -0.21 -0.04 1.22 0.92 2zayB1 ALA 81 H -0.04 0.30 -0.01 -0.55 8.40 8.11 2zayB1 ALA 81 HA -0.13 0.06 0.22 -0.75 4.34 3.74 2zayB1 ALA 81 HB3 -0.06 0.00 0.01 -0.04 1.41 1.32 2zayB1 SER 82 H -0.03 0.10 -0.45 -0.55 8.46 7.53 2zayB1 SER 82 HA -0.04 0.22 0.90 -0.75 4.49 4.81 2zayB1 SER 82 HB2 -0.01 0.02 -0.03 -0.04 3.95 3.89 2zayB1 SER 82 HB3 -0.03 0.00 0.10 -0.04 3.93 3.96 2zayB1 ILE 83 H -0.02 0.34 -0.22 -0.55 8.25 7.79 2zayB1 ILE 83 HA 0.08 0.14 0.48 -0.75 4.18 4.13 2zayB1 ILE 83 HB 0.00 -0.01 0.07 -0.04 1.89 1.91 2zayB1 ILE 83 HG12 0.09 0.08 0.01 -0.04 1.49 1.63 2zayB1 ILE 83 HG13 0.03 -0.12 0.07 -0.04 1.21 1.16 2zayB1 ILE 83 HG23 0.09 0.03 -0.29 -0.04 0.93 0.73 2zayB1 ILE 83 HD13 0.05 0.01 -0.01 -0.04 0.88 0.88 2zayB1 PRO 84 HA 0.06 0.08 0.52 -0.51 4.44 4.58 2zayB1 PRO 84 HB2 0.08 -0.11 -0.01 -0.04 2.28 2.20 2zayB1 PRO 84 HB3 0.05 0.07 0.13 -0.04 2.02 2.23 2zayB1 PRO 84 HG2 0.15 -0.12 0.23 -0.04 2.03 2.25 2zayB1 PRO 84 HG3 0.15 0.02 0.10 -0.04 2.03 2.27 2zayB1 PRO 84 HD2 0.18 0.25 0.32 -0.04 3.68 4.39 2zayB1 PRO 84 HD3 0.04 0.22 0.28 -0.04 3.65 4.15 2zayB1 VAL 85 H 0.13 0.17 0.25 -0.55 8.24 8.24 2zayB1 VAL 85 HA 0.12 0.33 1.15 -0.75 4.13 4.98 2zayB1 VAL 85 HB 0.13 -0.07 0.07 -0.04 2.12 2.21 2zayB1 VAL 85 HG13 0.30 -0.04 -0.21 -0.04 0.97 0.98 2zayB1 VAL 85 HG23 -0.03 0.07 -0.20 -0.04 0.95 0.74 2zayB1 ILE 86 H 0.15 0.79 0.42 -0.55 8.25 9.07 2zayB1 ILE 86 HA 0.20 0.12 0.93 -0.75 4.18 4.67 2zayB1 ILE 86 HB 0.04 -0.02 0.07 -0.04 1.89 1.94 2zayB1 ILE 86 HG12 0.06 -0.01 -0.15 -0.04 1.49 1.35 2zayB1 ILE 86 HG13 0.06 0.04 -0.22 -0.04 1.21 1.05 2zayB1 ILE 86 HG23 -0.02 -0.03 -0.35 -0.04 0.93 0.48 2zayB1 ILE 86 HD13 -0.02 0.01 -0.21 -0.04 0.88 0.61 2zayB1 ALA 87 H 0.05 0.65 0.34 -0.55 8.40 8.88 2zayB1 ALA 87 HA -0.09 0.27 0.99 -0.75 4.34 4.76 2zayB1 ALA 87 HB3 -0.86 -0.01 0.11 -0.04 1.41 0.61 2zayB1 LEU 88 H -0.12 0.61 0.44 -0.55 8.37 8.76 2zayB1 LEU 88 HA -0.33 0.39 0.92 -0.75 4.35 4.58 2zayB1 LEU 88 HB2 -0.08 0.06 -0.17 -0.04 1.64 1.42 2zayB1 LEU 88 HB3 -0.10 -0.12 -0.11 -0.04 1.64 1.27 2zayB1 LEU 88 HG -0.13 -0.01 -0.11 -0.04 1.64 1.35 2zayB1 LEU 88 HD13 -0.13 0.04 -0.22 -0.04 0.93 0.58 2zayB1 LEU 88 HD23 -0.05 -0.01 -0.20 -0.04 0.89 0.59 2zayB1 SER 89 H -0.29 0.53 0.30 -0.55 8.46 8.46 2zayB1 SER 89 HA -0.03 0.03 0.79 -0.75 4.49 4.53 2zayB1 SER 89 HB2 0.14 0.13 -0.16 -0.04 3.95 4.02 2zayB1 SER 89 HB3 0.29 0.07 -0.01 -0.04 3.93 4.24 2zayB1 GLY 90 H -0.00 0.15 0.18 -0.55 8.43 8.21 2zayB1 GLY 90 HA2 -0.01 0.21 0.67 -0.51 4.01 4.37 2zayB1 GLY 90 HA3 -0.01 0.06 0.31 -0.51 4.01 3.87 2zayB1 ARG 91 H 0.04 -0.13 -0.05 -0.55 8.46 7.76 2zayB1 ARG 91 HA 0.02 0.22 0.61 -0.75 4.34 4.43 2zayB1 ARG 91 HB2 0.03 -0.15 0.11 -0.04 1.90 1.85 2zayB1 ARG 91 HB3 0.01 0.05 0.00 -0.04 1.80 1.82 2zayB1 ARG 91 HG2 0.01 0.11 -0.02 -0.04 1.67 1.73 2zayB1 ARG 91 HG3 0.01 -0.14 0.03 -0.04 1.67 1.53 2zayB1 ARG 91 HD2 0.01 -0.04 0.02 -0.04 3.22 3.16 2zayB1 ARG 91 HD3 0.00 0.04 0.00 -0.04 3.22 3.22 2zayB1 ALA 92 H 0.13 -0.09 -0.08 -0.55 8.40 7.81 2zayB1 ALA 92 HA 0.24 -0.05 0.25 -0.75 4.34 4.02 2zayB1 ALA 92 HB3 0.21 0.08 -0.09 -0.04 1.41 1.56 2zayB1 THR 93 H -0.04 -0.03 -0.03 -0.55 8.28 7.63 2zayB1 THR 93 HA -0.02 0.32 0.80 -0.75 4.39 4.73 2zayB1 THR 93 HB -0.04 0.04 0.10 -0.04 4.32 4.38 2zayB1 THR 93 HG23 -0.01 0.04 -0.11 -0.04 1.22 1.09 2zayB1 ALA 94 H -0.05 0.26 0.14 -0.55 8.40 8.21 2zayB1 ALA 94 HA -0.11 0.11 0.32 -0.75 4.34 3.91 2zayB1 ALA 94 HB3 -0.05 0.04 0.10 -0.04 1.41 1.46 2zayB1 LYS 95 H -0.07 0.07 -0.27 -0.55 8.42 7.59 2zayB1 LYS 95 HA -0.08 0.14 0.37 -0.75 4.32 4.00 2zayB1 LYS 95 HB2 -0.05 0.02 0.06 -0.04 1.87 1.86 2zayB1 LYS 95 HB3 -0.06 -0.03 -0.01 -0.04 1.79 1.65 2zayB1 LYS 95 HG2 -0.05 0.01 -0.08 -0.04 1.46 1.29 2zayB1 LYS 95 HG3 -0.04 0.04 0.02 -0.04 1.46 1.44 2zayB1 LYS 95 HD2 -0.03 -0.01 -0.01 -0.04 1.69 1.60 2zayB1 LYS 95 HD3 -0.03 0.00 -0.05 -0.04 1.68 1.56 2zayB1 LYS 95 HE2 -0.02 0.01 -0.01 -0.04 2.99 2.92 2zayB1 LYS 95 HE3 -0.02 0.02 -0.02 -0.04 2.99 2.93 2zayB1 GLU 96 H -0.11 0.05 -0.20 -0.55 8.60 7.79 2zayB1 GLU 96 HA -0.11 0.10 0.39 -0.75 4.29 3.91 2zayB1 GLU 96 HB2 -0.08 -0.02 0.10 -0.04 2.09 2.05 2zayB1 GLU 96 HB3 -0.17 -0.04 0.10 -0.04 1.99 1.83 2zayB1 GLU 96 HG2 -0.13 0.04 -0.09 -0.04 2.34 2.12 2zayB1 GLU 96 HG3 -0.06 0.07 0.02 -0.04 2.34 2.33 2zayB1 GLU 97 H -0.38 0.57 -0.16 -0.55 8.60 8.09 2zayB1 GLU 97 HA -1.08 -0.02 0.31 -0.75 4.29 2.74 2zayB1 GLU 97 HB2 -0.78 -0.04 -0.05 -0.04 2.09 1.18 2zayB1 GLU 97 HB3 -0.34 0.15 0.06 -0.04 1.99 1.82 2zayB1 GLU 97 HG2 -0.27 0.04 -0.20 -0.04 2.34 1.86 2zayB1 GLU 97 HG3 -0.92 -0.07 -0.06 -0.04 2.34 1.25 2zayB1 ALA 98 H -0.19 0.48 -0.18 -0.55 8.40 7.96 2zayB1 ALA 98 HA -0.10 0.04 0.37 -0.75 4.34 3.89 2zayB1 ALA 98 HB3 -0.08 0.03 0.09 -0.04 1.41 1.41 2zayB1 GLN 99 H -0.12 0.44 -0.20 -0.55 8.47 8.05 2zayB1 GLN 99 HA -0.05 0.05 0.41 -0.75 4.36 4.01 2zayB1 GLN 99 HB2 -0.06 0.01 0.12 -0.04 2.15 2.18 2zayB1 GLN 99 HB3 -0.09 0.05 0.17 -0.04 2.02 2.12 2zayB1 GLN 99 HG2 -0.03 0.01 -0.12 -0.04 2.40 2.21 2zayB1 GLN 99 HG3 -0.03 -0.00 0.01 -0.04 2.39 2.33 2zayB1 GLN 99 HE21 -0.01 -0.03 -0.02 -0.04 6.97 6.86 2zayB1 GLN 99 HE22 -0.02 0.02 -0.02 -0.04 7.69 7.63 2zayB1 LEU 100 H -0.15 0.54 -0.08 -0.55 8.37 8.13 2zayB1 LEU 100 HA -0.01 0.01 0.45 -0.75 4.35 4.05 2zayB1 LEU 100 HB2 -0.21 0.10 0.12 -0.04 1.64 1.61 2zayB1 LEU 100 HB3 -0.41 -0.04 0.02 -0.04 1.64 1.16 2zayB1 LEU 100 HG -0.16 0.11 0.06 -0.04 1.64 1.61 2zayB1 LEU 100 HD13 -0.13 -0.05 -0.09 -0.04 0.93 0.62 2zayB1 LEU 100 HD23 -0.29 -0.01 0.02 -0.04 0.89 0.57 2zayB1 LEU 101 H -0.09 0.57 -0.08 -0.55 8.37 8.23 2zayB1 LEU 101 HA 0.05 0.19 0.42 -0.75 4.35 4.25 2zayB1 LEU 101 HB2 -0.04 0.01 0.11 -0.04 1.64 1.68 2zayB1 LEU 101 HB3 0.00 0.03 -0.03 -0.04 1.64 1.60 2zayB1 LEU 101 HG -0.05 0.04 -0.04 -0.04 1.64 1.56 2zayB1 LEU 101 HD13 -0.01 -0.03 -0.09 -0.04 0.93 0.76 2zayB1 LEU 101 HD23 0.08 -0.01 -0.23 -0.04 0.89 0.69 2zayB1 ASP 102 H -0.04 0.64 -0.12 -0.55 8.40 8.33 2zayB1 ASP 102 HA -0.01 0.01 0.34 -0.75 4.63 4.22 2zayB1 ASP 102 HB2 -0.03 0.06 0.17 -0.04 2.71 2.87 2zayB1 ASP 102 HB3 -0.01 -0.06 0.01 -0.04 2.70 2.60 2zayB1 MET 103 H -0.03 0.38 -0.32 -0.55 8.47 7.95 2zayB1 MET 103 HA -0.03 -0.02 0.40 -0.75 4.52 4.11 2zayB1 MET 103 HB2 -0.03 0.17 0.23 -0.04 2.15 2.48 2zayB1 MET 103 HB3 -0.31 -0.10 -0.04 -0.04 2.03 1.55 2zayB1 MET 103 HG2 0.00 -0.04 0.05 -0.04 2.63 2.61 2zayB1 MET 103 HG3 -0.01 0.16 0.04 -0.04 2.56 2.72 2zayB1 MET 103 HE3 0.04 -0.02 -0.02 -0.04 2.10 2.07 2zayB1 GLY 104 H -0.08 0.38 -0.28 -0.55 8.43 7.90 2zayB1 GLY 104 HA2 0.02 0.05 0.24 -0.51 4.01 3.80 2zayB1 GLY 104 HA3 0.04 0.14 0.88 -0.51 4.01 4.56 2zayB1 PHE 105 H -0.17 0.23 0.12 -0.55 8.34 7.96 2zayB1 PHE 105 HA -0.00 0.05 0.54 -0.75 4.62 4.45 2zayB1 PHE 105 HB2 -0.12 0.04 -0.11 -0.04 3.15 2.92 2zayB1 PHE 105 HB3 -0.01 0.02 0.06 -0.04 3.06 3.09 2zayB1 PHE 105 HD2 -0.17 0.15 -0.16 -0.04 7.28 7.05 2zayB1 PHE 105 HE2 -0.05 -0.02 -0.11 -0.04 7.38 7.17 2zayB1 PHE 105 HZ 0.09 -0.14 -0.03 -0.04 7.32 7.20 2zayB1 ILE 106 H 0.18 0.45 0.41 -0.55 8.25 8.73 2zayB1 ILE 106 HA 0.08 0.18 0.56 -0.75 4.18 4.25 2zayB1 ILE 106 HB 0.08 0.04 0.17 -0.04 1.89 2.14 2zayB1 ILE 106 HG12 0.05 -0.07 0.04 -0.04 1.49 1.46 2zayB1 ILE 106 HG13 0.05 0.04 0.13 -0.04 1.21 1.38 2zayB1 ILE 106 HG23 0.09 0.02 -0.21 -0.04 0.93 0.80 2zayB1 ILE 106 HD13 0.03 0.01 0.03 -0.04 0.88 0.91 2zayB1 ASP 107 H 0.17 0.24 0.08 -0.55 8.40 8.35 2zayB1 ASP 107 HA 0.09 0.15 0.40 -0.75 4.63 4.52 2zayB1 ASP 107 HB2 0.05 0.10 -0.30 -0.04 2.71 2.52 2zayB1 ASP 107 HB3 0.04 -0.10 -0.13 -0.04 2.70 2.47 2zayB1 PHE 108 H 0.13 0.31 0.15 -0.55 8.34 8.38 2zayB1 PHE 108 HA -0.08 0.22 0.90 -0.75 4.62 4.90 2zayB1 PHE 108 HB2 -0.10 0.06 -0.11 -0.04 3.15 2.96 2zayB1 PHE 108 HB3 -0.05 0.01 0.02 -0.04 3.06 3.01 2zayB1 PHE 108 HD2 -0.13 0.03 -0.18 -0.04 7.28 6.96 2zayB1 PHE 108 HE2 -0.09 -0.04 -0.19 -0.04 7.38 7.02 2zayB1 PHE 108 HZ -0.06 -0.14 -0.10 -0.04 7.32 6.98 2zayB1 ILE 109 H -0.75 0.68 0.29 -0.55 8.25 7.92 2zayB1 ILE 109 HA -0.29 0.17 0.90 -0.75 4.18 4.21 2zayB1 ILE 109 HB -0.24 -0.03 0.02 -0.04 1.89 1.59 2zayB1 ILE 109 HG12 -0.10 0.07 -0.10 -0.04 1.49 1.32 2zayB1 ILE 109 HG13 -0.12 -0.07 -0.58 -0.04 1.21 0.40 2zayB1 ILE 109 HG23 -0.14 0.00 -0.18 -0.04 0.93 0.57 2zayB1 ILE 109 HD13 -0.08 -0.01 -0.15 -0.04 0.88 0.60 2zayB1 ALA 110 H -0.22 0.19 0.10 -0.55 8.40 7.92 2zayB1 ALA 110 HA -0.30 0.06 0.78 -0.75 4.34 4.13 2zayB1 ALA 110 HB3 0.06 0.03 0.04 -0.04 1.41 1.49 2zayB1 LYS 111 H -0.09 0.55 0.24 -0.55 8.42 8.57 2zayB1 LYS 111 HA -0.07 -0.03 0.24 -0.75 4.32 3.71 2zayB1 LYS 111 HB2 -0.04 0.00 -0.04 -0.04 1.87 1.75 2zayB1 LYS 111 HB3 -0.04 -0.00 0.01 -0.04 1.79 1.72 2zayB1 LYS 111 HG2 -0.07 -0.00 -0.11 -0.04 1.46 1.24 2zayB1 LYS 111 HG3 -0.10 -0.06 -0.17 -0.04 1.46 1.09 2zayB1 LYS 111 HD2 -0.04 -0.10 -0.21 -0.04 1.69 1.30 2zayB1 LYS 111 HD3 -0.03 0.06 -0.08 -0.04 1.68 1.58 2zayB1 LYS 111 HE2 -0.06 -0.07 -0.22 -0.04 2.99 2.60 2zayB1 LYS 111 HE3 -0.03 -0.03 -0.10 -0.04 2.99 2.79 2zayB1 PRO 112 HA -0.03 -0.06 0.38 -0.51 4.44 4.21 2zayB1 PRO 112 HB2 -0.02 0.06 -0.04 -0.04 2.28 2.24 2zayB1 PRO 112 HB3 -0.02 0.02 0.10 -0.04 2.02 2.08 2zayB1 PRO 112 HG2 -0.02 0.02 0.06 -0.04 2.03 2.05 2zayB1 PRO 112 HG3 -0.01 0.04 0.07 -0.04 2.03 2.09 2zayB1 PRO 112 HD2 -0.01 0.16 0.30 -0.04 3.68 4.09 2zayB1 PRO 112 HD3 -0.01 0.07 0.21 -0.04 3.65 3.88 2zayB1 VAL 113 H -0.04 0.09 0.11 -0.55 8.24 7.85 2zayB1 VAL 113 HA -0.06 0.21 0.58 -0.75 4.13 4.11 2zayB1 VAL 113 HB -0.04 -0.03 0.06 -0.04 2.12 2.07 2zayB1 VAL 113 HG13 -0.05 -0.01 -0.28 -0.04 0.97 0.59 2zayB1 VAL 113 HG23 -0.07 0.00 -0.13 -0.04 0.95 0.71 2zayB1 ASN 114 H -0.04 0.22 0.18 -0.55 8.53 8.34 2zayB1 ASN 114 HA -0.02 0.18 0.80 -0.75 4.76 4.97 2zayB1 ASN 114 HB2 -0.02 0.16 0.07 -0.04 2.88 3.05 2zayB1 ASN 114 HB3 -0.02 -0.02 0.20 -0.04 2.79 2.91 2zayB1 ASN 114 HD21 -0.01 0.04 0.02 -0.04 7.03 7.04 2zayB1 ASN 114 HD22 -0.01 0.10 0.02 -0.04 7.74 7.81 2zayB1 ALA 115 H -0.01 0.26 0.13 -0.55 8.40 8.22 2zayB1 ALA 115 HA -0.01 0.06 0.33 -0.75 4.34 3.97 2zayB1 ALA 115 HB3 0.00 0.04 0.07 -0.04 1.41 1.48 2zayB1 ILE 116 H -0.00 0.10 -0.14 -0.55 8.25 7.66 2zayB1 ILE 116 HA 0.01 0.15 0.41 -0.75 4.18 3.99 2zayB1 ILE 116 HB -0.00 -0.05 0.03 -0.04 1.89 1.83 2zayB1 ILE 116 HG12 0.01 0.08 0.01 -0.04 1.49 1.54 2zayB1 ILE 116 HG13 0.00 -0.12 0.05 -0.04 1.21 1.10 2zayB1 ILE 116 HG23 0.00 0.03 -0.09 -0.04 0.93 0.83 2zayB1 ILE 116 HD13 0.00 0.02 0.00 -0.04 0.88 0.87 2zayB1 ARG 117 H -0.01 0.04 -0.24 -0.55 8.46 7.69 2zayB1 ARG 117 HA -0.01 0.10 0.42 -0.75 4.34 4.10 2zayB1 ARG 117 HB2 -0.01 -0.05 0.12 -0.04 1.90 1.91 2zayB1 ARG 117 HB3 -0.03 0.05 0.15 -0.04 1.80 1.94 2zayB1 ARG 117 HG2 -0.03 0.01 -0.07 -0.04 1.67 1.55 2zayB1 ARG 117 HG3 -0.01 0.03 0.05 -0.04 1.67 1.69 2zayB1 ARG 117 HD2 -0.03 -0.01 0.05 -0.04 3.22 3.19 2zayB1 ARG 117 HD3 -0.01 0.04 0.02 -0.04 3.22 3.23 2zayB1 LEU 118 H -0.03 0.61 -0.06 -0.55 8.37 8.34 2zayB1 LEU 118 HA -0.05 0.02 0.29 -0.75 4.35 3.85 2zayB1 LEU 118 HB2 -0.05 -0.04 -0.04 -0.04 1.64 1.48 2zayB1 LEU 118 HB3 -0.03 0.07 0.05 -0.04 1.64 1.68 2zayB1 LEU 118 HG -0.08 0.05 -0.30 -0.04 1.64 1.28 2zayB1 LEU 118 HD13 -0.07 -0.01 -0.10 -0.04 0.93 0.70 2zayB1 LEU 118 HD23 -0.05 -0.01 -0.16 -0.04 0.89 0.63 2zayB1 SER 119 H -0.01 0.59 -0.14 -0.55 8.46 8.36 2zayB1 SER 119 HA -0.01 0.03 0.39 -0.75 4.49 4.14 2zayB1 SER 119 HB2 0.07 -0.00 0.08 -0.04 3.95 4.06 2zayB1 SER 119 HB3 0.04 0.07 0.13 -0.04 3.93 4.13 2zayB1 ALA 120 H 0.00 0.42 -0.24 -0.55 8.40 8.03 2zayB1 ALA 120 HA 0.01 0.04 0.40 -0.75 4.34 4.04 2zayB1 ALA 120 HB3 -0.00 0.02 0.10 -0.04 1.41 1.49 2zayB1 ARG 121 H -0.03 0.50 -0.16 -0.55 8.46 8.22 2zayB1 ARG 121 HA -0.02 0.04 0.44 -0.75 4.34 4.04 2zayB1 ARG 121 HB2 -0.05 0.08 0.10 -0.04 1.90 1.99 2zayB1 ARG 121 HB3 -0.03 -0.05 -0.07 -0.04 1.80 1.61 2zayB1 ARG 121 HG2 -0.02 0.09 0.03 -0.04 1.67 1.72 2zayB1 ARG 121 HG3 -0.04 -0.10 -0.10 -0.04 1.67 1.39 2zayB1 ARG 121 HD2 -0.01 -0.03 -0.03 -0.04 3.22 3.11 2zayB1 ARG 121 HD3 -0.01 0.02 0.02 -0.04 3.22 3.21 2zayB1 ILE 122 H -0.08 0.56 -0.18 -0.55 8.25 8.00 2zayB1 ILE 122 HA -0.11 0.02 0.35 -0.75 4.18 3.68 2zayB1 ILE 122 HB -0.23 0.13 0.14 -0.04 1.89 1.89 2zayB1 ILE 122 HG12 -0.18 -0.04 -0.09 -0.04 1.49 1.13 2zayB1 ILE 122 HG13 -0.14 0.13 -0.01 -0.04 1.21 1.14 2zayB1 ILE 122 HG23 -0.50 -0.01 -0.21 -0.04 0.93 0.18 2zayB1 ILE 122 HD13 -0.34 -0.03 -0.16 -0.04 0.88 0.31 2zayB1 LYS 123 H -0.04 0.52 -0.12 -0.55 8.42 8.22 2zayB1 LYS 123 HA -0.14 0.02 0.38 -0.75 4.32 3.83 2zayB1 LYS 123 HB2 0.00 0.06 0.12 -0.04 1.87 2.01 2zayB1 LYS 123 HB3 -0.02 -0.03 0.02 -0.04 1.79 1.72 2zayB1 LYS 123 HG2 0.07 -0.01 -0.01 -0.04 1.46 1.47 2zayB1 LYS 123 HG3 0.16 0.09 0.05 -0.04 1.46 1.71 2zayB1 LYS 123 HD2 0.03 -0.02 -0.02 -0.04 1.69 1.64 2zayB1 LYS 123 HD3 0.07 0.02 -0.03 -0.04 1.68 1.69 2zayB1 LYS 123 HE2 0.12 0.00 -0.17 -0.04 2.99 2.90 2zayB1 LYS 123 HE3 0.04 -0.02 -0.12 -0.04 2.99 2.85 2zayB1 ARG 124 H -0.04 0.44 -0.33 -0.55 8.46 7.98 2zayB1 ARG 124 HA -0.01 0.00 0.37 -0.75 4.34 3.95 2zayB1 ARG 124 HB2 -0.01 0.04 0.13 -0.04 1.90 2.02 2zayB1 ARG 124 HB3 -0.02 0.11 0.18 -0.04 1.80 2.03 2zayB1 ARG 124 HG2 0.00 0.02 -0.24 -0.04 1.67 1.41 2zayB1 ARG 124 HG3 0.00 -0.04 0.02 -0.04 1.67 1.61 2zayB1 ARG 124 HD2 0.01 -0.03 -0.01 -0.04 3.22 3.14 2zayB1 ARG 124 HD3 0.00 -0.04 0.00 -0.04 3.22 3.14 2zayB1 VAL 125 H -0.04 0.46 -0.18 -0.55 8.24 7.93 2zayB1 VAL 125 HA 0.00 0.05 0.43 -0.75 4.13 3.86 2zayB1 VAL 125 HB -0.03 0.11 0.12 -0.04 2.12 2.27 2zayB1 VAL 125 HG13 0.04 -0.01 -0.14 -0.04 0.97 0.83 2zayB1 VAL 125 HG23 0.01 0.01 -0.03 -0.04 0.95 0.90 2zayB1 LEU 126 H -0.12 0.51 -0.09 -0.55 8.37 8.13 2zayB1 LEU 126 HA 0.07 0.06 0.39 -0.75 4.35 4.12 2zayB1 LEU 126 HB2 -0.42 0.04 0.10 -0.04 1.64 1.32 2zayB1 LEU 126 HB3 -0.93 -0.03 0.00 -0.04 1.64 0.64 2zayB1 LEU 126 HG -0.30 0.19 0.00 -0.04 1.64 1.49 2zayB1 LEU 126 HD13 -1.03 -0.03 -0.12 -0.04 0.93 -0.29 2zayB1 LEU 126 HD23 -0.36 -0.01 -0.08 -0.04 0.89 0.40 2zayB1 LYS 127 H -0.06 0.57 -0.24 -0.55 8.42 8.14 2zayB1 LYS 127 HA 0.04 -0.02 0.42 -0.75 4.32 4.01 2zayB1 LYS 127 HB2 -0.00 0.15 0.15 -0.04 1.87 2.12 2zayB1 LYS 127 HB3 0.02 -0.06 0.01 -0.04 1.79 1.72 2zayB1 LYS 127 HG2 0.02 -0.06 0.03 -0.04 1.46 1.41 2zayB1 LYS 127 HG3 -0.04 0.15 0.08 -0.04 1.46 1.61 2zayB1 LYS 127 HD2 0.01 -0.04 -0.01 -0.04 1.69 1.61 2zayB1 LYS 127 HD3 0.01 -0.07 -0.03 -0.04 1.68 1.55 2zayB1 LYS 127 HE2 -0.02 0.06 -0.43 -0.04 2.99 2.57 2zayB1 LYS 127 HE3 -0.00 0.04 -0.00 -0.04 2.99 2.99 2zayB1 LEU 128 H 0.01 0.35 -0.22 -0.55 8.37 7.97 2zayB1 LEU 128 HA 0.02 0.01 0.50 -0.75 4.35 4.13 2zayB1 LEU 128 HB2 0.01 0.10 0.18 -0.04 1.64 1.89 2zayB1 LEU 128 HB3 0.01 -0.05 0.05 -0.04 1.64 1.60 2zayB1 LEU 128 HG 0.01 0.26 0.11 -0.04 1.64 1.97 2zayB1 LEU 128 HD13 0.01 -0.04 -0.01 -0.04 0.93 0.85 2zayB1 LEU 128 HD23 0.01 -0.03 0.01 -0.04 0.89 0.84 2zayB1 LEU 129 H 0.03 0.43 -0.07 -0.55 8.37 8.21 2zayB1 LEU 129 HA -0.06 0.16 0.89 -0.75 4.35 4.58 2zayB1 LEU 129 HB2 -0.03 0.04 0.11 -0.04 1.64 1.72 2zayB1 LEU 129 HB3 -0.31 0.01 0.06 -0.04 1.64 1.36 2zayB1 LEU 129 HG -0.03 -0.02 0.05 -0.04 1.64 1.60 2zayB1 LEU 129 HD13 -0.05 0.01 0.03 -0.04 0.93 0.88 2zayB1 LEU 129 HD23 0.00 -0.00 -0.09 -0.04 0.89 0.76 2zayB1 TYR 130 H 0.20 0.60 -0.03 -0.55 8.29 8.50 2zayB1 TYR 130 HA 0.13 0.23 0.87 -0.75 4.56 5.04 2zayB1 TYR 130 HB2 0.23 0.12 0.12 -0.04 3.06 3.49 2zayB1 TYR 130 HB3 0.38 -0.07 0.08 -0.04 2.98 3.33 2zayB1 TYR 130 HD2 0.13 -0.02 0.05 -0.04 7.15 7.27 2zayB1 TYR 130 HE2 0.22 0.03 0.04 -0.04 6.85 7.10