============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 2 1.000 0.348 13.044 -29.123 -99.200 -91.000 PHE 5 1.000 -0.151 2.045 -32.093 -99.200 -91.000 PHE 8 1.000 4.980 -2.503 -38.828 -99.200 -91.000 PHE 14 1.000 -3.422 -14.810 -24.769 -99.200 -91.000 PHE 21 1.000 -16.812 1.408 -11.244 -99.200 -91.000 PHE 24 1.000 -19.101 13.312 -5.736 -99.200 -91.000 PHE 25 1.000 -17.823 6.049 -3.404 -99.200 -91.000 TYR 28 0.840 -19.486 12.777 5.589 -99.200 -91.000 PHE 44 1.000 -1.452 8.067 13.654 -99.200 -91.000 PHE 49 1.000 -13.468 2.401 8.163 -99.200 -91.000 TYR 65 0.840 -11.387 -10.582 -5.725 -99.200 -91.000 PHE 69 1.000 -11.619 0.441 -4.393 -99.200 -91.000 HIS 81 0.900 -2.120 5.496 -7.558 -99.200 -91.000 PHE 87 1.000 -15.522 -1.295 -0.410 -99.200 -91.000 TYR 95 0.840 -16.323 8.811 7.979 -99.200 -91.000 TRP 99 1.040 -2.103 9.140 6.479 -99.200 -91.000 TRP6 99 1.020 -1.058 8.430 4.490 -99.200 -91.000 PHE 124 1.000 15.465 -1.380 -7.823 -99.200 -91.000 PHE 134 1.000 12.714 4.383 7.876 -99.200 -91.000 PHE 151 1.000 0.529 3.048 3.789 -99.200 -91.000 TYR 164 0.840 6.948 0.111 15.858 -99.200 -91.000 PHE 169 1.000 10.238 6.721 12.451 -99.200 -91.000 PHE 196 1.000 16.218 0.651 3.406 -99.200 -91.000 TYR 202 0.840 20.885 18.562 -0.973 -99.200 -91.000 TYR 207 0.840 33.640 28.711 -0.306 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1zc1A9 MET 1 HA -0.12 -0.12 0.21 -0.75 4.52 3.73 1zc1A9 MET 1 HB2 -0.16 0.12 -0.02 -0.04 2.15 2.05 1zc1A9 MET 1 HB3 -0.07 -0.03 0.01 -0.04 2.03 1.90 1zc1A9 MET 1 HG2 -0.03 -0.05 0.05 -0.04 2.63 2.55 1zc1A9 MET 1 HG3 -0.07 -0.03 0.03 -0.04 2.56 2.45 1zc1A9 MET 1 HE3 -0.02 -0.01 -0.00 -0.04 2.10 2.02 1zc1A9 PHE 2 H 0.12 0.05 0.10 -0.55 8.34 8.06 1zc1A9 PHE 2 HA -0.10 0.11 0.47 -0.75 4.62 4.34 1zc1A9 PHE 2 HB2 -0.06 -0.05 0.13 -0.04 3.15 3.12 1zc1A9 PHE 2 HB3 -0.06 -0.01 0.03 -0.04 3.06 2.99 1zc1A9 PHE 2 HD2 -0.04 -0.01 0.06 -0.04 7.28 7.25 1zc1A9 PHE 2 HE2 -0.02 -0.00 0.01 -0.04 7.38 7.32 1zc1A9 PHE 2 HZ -0.02 0.00 -0.00 -0.04 7.32 7.26 1zc1A9 SER 3 H 0.02 0.04 -0.05 -0.55 8.46 7.93 1zc1A9 SER 3 HA -0.09 0.17 0.93 -0.75 4.49 4.74 1zc1A9 SER 3 HB2 -0.02 -0.02 0.01 -0.04 3.95 3.87 1zc1A9 SER 3 HB3 0.00 -0.00 -0.06 -0.04 3.93 3.83 1zc1A9 GLY 4 H -0.14 0.07 0.06 -0.55 8.43 7.87 1zc1A9 GLY 4 HA2 -0.05 -0.04 0.35 -0.51 4.01 3.75 1zc1A9 GLY 4 HA3 -0.09 0.08 0.35 -0.51 4.01 3.84 1zc1A9 PHE 5 H 0.02 0.11 0.09 -0.55 8.34 8.01 1zc1A9 PHE 5 HA -0.09 0.27 0.91 -0.75 4.62 4.96 1zc1A9 PHE 5 HB2 -0.15 -0.05 0.01 -0.04 3.15 2.91 1zc1A9 PHE 5 HB3 -0.11 0.04 0.01 -0.04 3.06 2.95 1zc1A9 PHE 5 HD2 -0.06 -0.06 -0.04 -0.04 7.28 7.08 1zc1A9 PHE 5 HE2 -0.03 -0.02 -0.04 -0.04 7.38 7.26 1zc1A9 PHE 5 HZ -0.02 -0.00 -0.04 -0.04 7.32 7.22 1zc1A9 SER 6 H 0.02 0.22 0.11 -0.55 8.46 8.27 1zc1A9 SER 6 HA -0.07 0.07 0.39 -0.75 4.49 4.12 1zc1A9 SER 6 HB2 -0.02 0.05 0.11 -0.04 3.95 4.05 1zc1A9 SER 6 HB3 0.00 -0.01 0.09 -0.04 3.93 3.97 1zc1A9 SER 7 H 0.01 0.08 -0.14 -0.55 8.46 7.86 1zc1A9 SER 7 HA -0.02 0.16 0.94 -0.75 4.49 4.82 1zc1A9 SER 7 HB2 0.01 -0.02 -0.06 -0.04 3.95 3.85 1zc1A9 SER 7 HB3 0.01 -0.02 0.03 -0.04 3.93 3.91 1zc1A9 PHE 8 H 0.19 0.12 0.11 -0.55 8.34 8.21 1zc1A9 PHE 8 HA -0.00 0.01 0.46 -0.75 4.62 4.33 1zc1A9 PHE 8 HB2 -0.01 -0.02 0.13 -0.04 3.15 3.21 1zc1A9 PHE 8 HB3 -0.01 0.07 0.07 -0.04 3.06 3.14 1zc1A9 PHE 8 HD2 0.01 -0.02 0.07 -0.04 7.28 7.31 1zc1A9 PHE 8 HE2 0.02 -0.01 0.02 -0.04 7.38 7.37 1zc1A9 PHE 8 HZ 0.02 -0.02 0.01 -0.04 7.32 7.29 1zc1A9 GLY 9 H 0.04 0.03 0.17 -0.55 8.43 8.13 1zc1A9 GLY 9 HA2 -0.04 0.16 0.53 -0.51 4.01 4.15 1zc1A9 GLY 9 HA3 -0.08 0.01 0.36 -0.51 4.01 3.79 1zc1A9 GLY 10 H -0.05 0.30 0.21 -0.55 8.43 8.34 1zc1A9 GLY 10 HA2 -0.03 0.07 0.43 -0.51 4.01 3.97 1zc1A9 GLY 10 HA3 -0.03 0.06 0.36 -0.51 4.01 3.89 1zc1A9 GLY 11 H -0.05 0.15 0.14 -0.55 8.43 8.12 1zc1A9 GLY 11 HA2 -0.10 0.20 0.64 -0.51 4.01 4.25 1zc1A9 GLY 11 HA3 -0.07 -0.00 0.36 -0.51 4.01 3.79 1zc1A9 ASN 12 H -0.07 0.00 -0.43 -0.55 8.53 7.48 1zc1A9 ASN 12 HA -0.12 0.12 0.86 -0.75 4.76 4.86 1zc1A9 ASN 12 HB2 -0.05 -0.00 0.06 -0.04 2.88 2.85 1zc1A9 ASN 12 HB3 -0.05 0.02 -0.02 -0.04 2.79 2.70 1zc1A9 ASN 12 HD21 -0.06 0.06 0.00 -0.04 7.03 6.99 1zc1A9 ASN 12 HD22 -0.04 -0.01 -0.06 -0.04 7.74 7.60 1zc1A9 GLY 13 H -0.19 0.08 0.12 -0.55 8.43 7.90 1zc1A9 GLY 13 HA2 -0.03 -0.02 0.35 -0.51 4.01 3.80 1zc1A9 GLY 13 HA3 -0.05 0.17 0.60 -0.51 4.01 4.22 1zc1A9 PHE 14 H 0.15 0.15 0.15 -0.55 8.34 8.24 1zc1A9 PHE 14 HA -0.01 0.21 0.93 -0.75 4.62 5.00 1zc1A9 PHE 14 HB2 -0.00 -0.03 0.07 -0.04 3.15 3.14 1zc1A9 PHE 14 HB3 -0.01 0.06 -0.06 -0.04 3.06 3.01 1zc1A9 PHE 14 HD2 -0.01 -0.02 -0.03 -0.04 7.28 7.19 1zc1A9 PHE 14 HE2 -0.00 -0.01 -0.02 -0.04 7.38 7.30 1zc1A9 PHE 14 HZ -0.00 -0.01 -0.02 -0.04 7.32 7.25 1zc1A9 VAL 15 H 0.10 0.20 0.12 -0.55 8.24 8.11 1zc1A9 VAL 15 HA 0.05 0.16 0.94 -0.75 4.13 4.53 1zc1A9 VAL 15 HB 0.01 -0.01 0.10 -0.04 2.12 2.18 1zc1A9 VAL 15 HG13 0.01 0.02 -0.14 -0.04 0.97 0.81 1zc1A9 VAL 15 HG23 -0.02 0.03 -0.16 -0.04 0.95 0.76 1zc1A9 ASN 16 H 0.04 0.19 0.12 -0.55 8.53 8.33 1zc1A9 ASN 16 HA 0.03 0.15 0.85 -0.75 4.76 5.03 1zc1A9 ASN 16 HB2 0.02 -0.02 -0.01 -0.04 2.88 2.83 1zc1A9 ASN 16 HB3 0.02 -0.01 0.13 -0.04 2.79 2.88 1zc1A9 ASN 16 HD21 -0.00 -0.04 -0.05 -0.04 7.03 6.90 1zc1A9 ASN 16 HD22 -0.01 0.02 -0.10 -0.04 7.74 7.61 1zc1A9 MET 17 H 0.02 0.20 0.15 -0.55 8.47 8.29 1zc1A9 MET 17 HA 0.01 0.17 0.90 -0.75 4.52 4.85 1zc1A9 MET 17 HB2 0.02 -0.01 0.14 -0.04 2.15 2.25 1zc1A9 MET 17 HB3 0.02 0.06 0.06 -0.04 2.03 2.12 1zc1A9 MET 17 HG2 0.02 -0.08 -0.32 -0.04 2.63 2.21 1zc1A9 MET 17 HG3 0.01 -0.01 -0.02 -0.04 2.56 2.51 1zc1A9 MET 17 HE3 0.00 -0.01 -0.03 -0.04 2.10 2.03 1zc1A9 PRO 18 HA 0.00 0.07 0.38 -0.51 4.44 4.38 1zc1A9 PRO 18 HB2 0.02 -0.02 -0.02 -0.04 2.28 2.22 1zc1A9 PRO 18 HB3 0.01 0.15 0.24 -0.04 2.02 2.39 1zc1A9 PRO 18 HG2 0.02 -0.00 0.05 -0.04 2.03 2.06 1zc1A9 PRO 18 HG3 0.02 -0.04 0.10 -0.04 2.03 2.07 1zc1A9 PRO 18 HD2 0.02 0.05 0.28 -0.04 3.68 3.99 1zc1A9 PRO 18 HD3 0.01 0.16 0.21 -0.04 3.65 3.99 1zc1A9 GLN 19 H 0.00 0.16 0.28 -0.55 8.47 8.36 1zc1A9 GLN 19 HA 0.02 0.20 0.99 -0.75 4.36 4.82 1zc1A9 GLN 19 HB2 -0.02 -0.10 0.15 -0.04 2.15 2.14 1zc1A9 GLN 19 HB3 -0.00 0.03 -0.02 -0.04 2.02 1.98 1zc1A9 GLN 19 HG2 -0.01 0.04 0.00 -0.04 2.40 2.39 1zc1A9 GLN 19 HG3 -0.01 0.04 -0.14 -0.04 2.39 2.23 1zc1A9 GLN 19 HE21 -0.03 -0.08 0.01 -0.04 6.97 6.84 1zc1A9 GLN 19 HE22 -0.06 0.20 -0.03 -0.04 7.69 7.77 1zc1A9 THR 20 H 0.06 0.22 0.16 -0.55 8.28 8.17 1zc1A9 THR 20 HA 0.08 0.33 1.08 -0.75 4.39 5.14 1zc1A9 THR 20 HB 0.06 -0.01 0.05 -0.04 4.32 4.37 1zc1A9 THR 20 HG23 0.05 -0.01 -0.17 -0.04 1.22 1.05 1zc1A9 PHE 21 H 0.18 0.50 0.17 -0.55 8.34 8.64 1zc1A9 PHE 21 HA 0.05 0.15 0.90 -0.75 4.62 4.97 1zc1A9 PHE 21 HB2 0.04 0.08 -0.13 -0.04 3.15 3.10 1zc1A9 PHE 21 HB3 0.09 -0.15 0.16 -0.04 3.06 3.11 1zc1A9 PHE 21 HD2 0.12 -0.01 -0.05 -0.04 7.28 7.29 1zc1A9 PHE 21 HE2 0.09 -0.03 -0.04 -0.04 7.38 7.36 1zc1A9 PHE 21 HZ 0.06 -0.03 -0.01 -0.04 7.32 7.29 1zc1A9 GLU 22 H -0.48 0.20 0.14 -0.55 8.60 7.92 1zc1A9 GLU 22 HA -0.05 0.16 1.00 -0.75 4.29 4.64 1zc1A9 GLU 22 HB2 -0.16 -0.01 0.08 -0.04 2.09 1.95 1zc1A9 GLU 22 HB3 -0.08 0.04 -0.07 -0.04 1.99 1.84 1zc1A9 GLU 22 HG2 -0.01 0.05 -0.13 -0.04 2.34 2.21 1zc1A9 GLU 22 HG3 -0.03 -0.05 -0.27 -0.04 2.34 1.94 1zc1A9 GLU 23 H 0.01 0.38 0.22 -0.55 8.60 8.66 1zc1A9 GLU 23 HA -0.16 0.12 0.78 -0.75 4.29 4.28 1zc1A9 GLU 23 HB2 0.41 0.18 0.04 -0.04 2.09 2.67 1zc1A9 GLU 23 HB3 -0.29 -0.02 0.04 -0.04 1.99 1.67 1zc1A9 GLU 23 HG2 0.04 0.04 0.01 -0.04 2.34 2.39 1zc1A9 GLU 23 HG3 -0.05 -0.05 -0.52 -0.04 2.34 1.67 1zc1A9 PHE 24 H -0.30 0.19 0.18 -0.55 8.34 7.86 1zc1A9 PHE 24 HA -0.12 0.18 1.09 -0.75 4.62 5.01 1zc1A9 PHE 24 HB2 -0.13 0.00 -0.05 -0.04 3.15 2.93 1zc1A9 PHE 24 HB3 -0.21 -0.02 0.13 -0.04 3.06 2.92 1zc1A9 PHE 24 HD2 -0.09 -0.01 -0.14 -0.04 7.28 7.00 1zc1A9 PHE 24 HE2 -0.03 -0.03 -0.09 -0.04 7.38 7.19 1zc1A9 PHE 24 HZ -0.03 -0.03 -0.03 -0.04 7.32 7.19 1zc1A9 PHE 25 H -0.48 0.59 0.38 -0.55 8.34 8.28 1zc1A9 PHE 25 HA -0.11 0.17 0.90 -0.75 4.62 4.83 1zc1A9 PHE 25 HB2 -0.15 0.02 -0.05 -0.04 3.15 2.92 1zc1A9 PHE 25 HB3 -0.09 -0.01 0.04 -0.04 3.06 2.95 1zc1A9 PHE 25 HD2 -0.02 0.02 -0.13 -0.04 7.28 7.11 1zc1A9 PHE 25 HE2 0.07 0.02 -0.07 -0.04 7.38 7.36 1zc1A9 PHE 25 HZ 0.13 -0.05 -0.06 -0.04 7.32 7.30 1zc1A9 ARG 26 H 0.09 0.21 0.25 -0.55 8.46 8.46 1zc1A9 ARG 26 HA -0.15 0.06 0.67 -0.75 4.34 4.17 1zc1A9 ARG 26 HB2 0.27 -0.04 0.18 -0.04 1.90 2.26 1zc1A9 ARG 26 HB3 0.08 0.06 -0.00 -0.04 1.80 1.90 1zc1A9 ARG 26 HG2 0.07 0.03 0.02 -0.04 1.67 1.75 1zc1A9 ARG 26 HG3 0.11 0.00 0.05 -0.04 1.67 1.80 1zc1A9 ARG 26 HD2 0.19 -0.01 0.01 -0.04 3.22 3.37 1zc1A9 ARG 26 HD3 0.14 0.01 -0.00 -0.04 3.22 3.33 1zc1A9 CYS 27 H -0.15 0.26 0.20 -0.55 8.50 8.26 1zc1A9 CYS 27 HA -0.05 0.21 0.88 -0.75 4.58 4.86 1zc1A9 CYS 27 HB2 -0.10 -0.05 -0.08 -0.04 2.97 2.69 1zc1A9 CYS 27 HB3 -0.12 0.35 0.12 -0.04 2.97 3.28 1zc1A9 TYR 28 H -0.03 0.43 0.37 -0.55 8.29 8.50 1zc1A9 TYR 28 HA -0.07 0.17 0.99 -0.75 4.56 4.90 1zc1A9 TYR 28 HB2 -1.08 0.00 -0.02 -0.04 3.06 1.92 1zc1A9 TYR 28 HB3 0.06 0.03 -0.03 -0.04 2.98 3.00 1zc1A9 TYR 28 HD2 -0.16 0.08 -0.22 -0.04 7.15 6.81 1zc1A9 TYR 28 HE2 -0.06 -0.02 -0.08 -0.04 6.85 6.64 1zc1A9 PRO 29 HA 0.09 0.15 0.60 -0.51 4.44 4.78 1zc1A9 PRO 29 HB2 0.06 -0.13 0.13 -0.04 2.28 2.30 1zc1A9 PRO 29 HB3 0.03 0.10 0.12 -0.04 2.02 2.23 1zc1A9 PRO 29 HG2 0.04 0.08 0.11 -0.04 2.03 2.23 1zc1A9 PRO 29 HG3 0.00 0.01 0.13 -0.04 2.03 2.12 1zc1A9 PRO 29 HD2 0.21 0.11 0.19 -0.04 3.68 4.14 1zc1A9 PRO 29 HD3 -0.00 0.17 0.30 -0.04 3.65 4.08 1zc1A9 ILE 30 H 0.13 0.38 0.24 -0.55 8.25 8.45 1zc1A9 ILE 30 HA -0.10 0.08 0.35 -0.75 4.18 3.76 1zc1A9 ILE 30 HB 0.03 -0.02 0.04 -0.04 1.89 1.89 1zc1A9 ILE 30 HG12 0.04 -0.03 -0.09 -0.04 1.49 1.38 1zc1A9 ILE 30 HG13 0.21 0.05 -0.01 -0.04 1.21 1.42 1zc1A9 ILE 30 HG23 -0.04 0.00 -0.11 -0.04 0.93 0.74 1zc1A9 ILE 30 HD13 0.12 -0.02 -0.51 -0.04 0.88 0.42 1zc1A9 ALA 31 H 0.02 0.07 -0.13 -0.55 8.40 7.81 1zc1A9 ALA 31 HA -0.01 0.10 0.32 -0.75 4.34 4.00 1zc1A9 ALA 31 HB3 0.00 0.00 0.03 -0.04 1.41 1.40 1zc1A9 MET 32 H 0.03 0.07 -0.57 -0.55 8.47 7.46 1zc1A9 MET 32 HA 0.01 0.05 0.39 -0.75 4.52 4.22 1zc1A9 MET 32 HB2 0.08 0.20 0.11 -0.04 2.15 2.50 1zc1A9 MET 32 HB3 0.04 -0.03 0.00 -0.04 2.03 2.01 1zc1A9 MET 32 HG2 0.03 -0.11 0.01 -0.04 2.63 2.52 1zc1A9 MET 32 HG3 0.04 -0.00 0.05 -0.04 2.56 2.61 1zc1A9 MET 32 HE3 0.02 -0.00 0.01 -0.04 2.10 2.09 1zc1A9 MET 33 H -0.02 0.21 -0.28 -0.55 8.47 7.83 1zc1A9 MET 33 HA -0.04 -0.06 0.37 -0.75 4.52 4.03 1zc1A9 MET 33 HB2 -0.17 0.24 0.10 -0.04 2.15 2.27 1zc1A9 MET 33 HB3 -0.17 -0.04 -0.06 -0.04 2.03 1.72 1zc1A9 MET 33 HG2 -0.12 -0.04 -0.02 -0.04 2.63 2.40 1zc1A9 MET 33 HG3 -0.10 0.07 0.01 -0.04 2.56 2.50 1zc1A9 MET 33 HE3 -0.35 0.00 -0.09 -0.04 2.10 1.62 1zc1A9 ASN 34 H -0.04 0.05 0.16 -0.55 8.53 8.15 1zc1A9 ASN 34 HA -0.02 0.15 0.44 -0.75 4.76 4.58 1zc1A9 ASN 34 HB2 -0.04 -0.03 0.15 -0.04 2.88 2.92 1zc1A9 ASN 34 HB3 -0.02 -0.11 0.10 -0.04 2.79 2.71 1zc1A9 ASN 34 HD21 -0.02 -0.03 0.05 -0.04 7.03 6.99 1zc1A9 ASN 34 HD22 -0.01 0.05 0.04 -0.04 7.74 7.78 1zc1A9 ASP 35 H -0.01 0.19 0.20 -0.55 8.40 8.23 1zc1A9 ASP 35 HA -0.02 0.13 0.38 -0.75 4.63 4.37 1zc1A9 ASP 35 HB2 -0.00 -0.04 0.11 -0.04 2.71 2.74 1zc1A9 ASP 35 HB3 0.00 0.04 0.05 -0.04 2.70 2.74 1zc1A9 ARG 36 H -0.02 -0.01 -0.33 -0.55 8.46 7.55 1zc1A9 ARG 36 HA -0.02 0.10 0.38 -0.75 4.34 4.04 1zc1A9 ARG 36 HB2 -0.02 -0.06 0.03 -0.04 1.90 1.80 1zc1A9 ARG 36 HB3 -0.02 0.05 -0.01 -0.04 1.80 1.78 1zc1A9 ARG 36 HG2 -0.01 0.05 0.03 -0.04 1.67 1.69 1zc1A9 ARG 36 HG3 -0.01 -0.08 0.04 -0.04 1.67 1.58 1zc1A9 ARG 36 HD2 -0.01 -0.02 0.01 -0.04 3.22 3.16 1zc1A9 ARG 36 HD3 -0.01 0.03 0.00 -0.04 3.22 3.20 1zc1A9 ILE 37 H -0.05 0.15 -0.30 -0.55 8.25 7.50 1zc1A9 ILE 37 HA -0.06 0.19 0.79 -0.75 4.18 4.34 1zc1A9 ILE 37 HB -0.11 -0.01 0.07 -0.04 1.89 1.79 1zc1A9 ILE 37 HG12 -0.07 -0.11 0.03 -0.04 1.49 1.30 1zc1A9 ILE 37 HG13 -0.12 0.13 -0.26 -0.04 1.21 0.92 1zc1A9 ILE 37 HG23 -0.05 -0.00 -0.10 -0.04 0.93 0.74 1zc1A9 ILE 37 HD13 -0.10 -0.01 -0.02 -0.04 0.88 0.71 1zc1A9 ARG 38 H -0.06 0.14 -0.21 -0.55 8.46 7.78 1zc1A9 ARG 38 HA -0.13 0.02 0.60 -0.75 4.34 4.07 1zc1A9 ARG 38 HB2 -0.09 0.07 -0.32 -0.04 1.90 1.52 1zc1A9 ARG 38 HB3 -0.04 -0.15 -0.14 -0.04 1.80 1.43 1zc1A9 ARG 38 HG2 -0.01 -0.08 -0.44 -0.04 1.67 1.09 1zc1A9 ARG 38 HG3 -0.07 -0.08 -0.09 -0.04 1.67 1.39 1zc1A9 ARG 38 HD2 -0.05 0.41 -0.11 -0.04 3.22 3.43 1zc1A9 ARG 38 HD3 -0.01 -0.10 -0.18 -0.04 3.22 2.89 1zc1A9 LYS 39 H -0.02 0.14 0.11 -0.55 8.42 8.09 1zc1A9 LYS 39 HA 0.02 0.23 0.85 -0.75 4.32 4.67 1zc1A9 LYS 39 HB2 0.06 0.15 0.01 -0.04 1.87 2.05 1zc1A9 LYS 39 HB3 0.12 -0.03 0.15 -0.04 1.79 1.98 1zc1A9 LYS 39 HG2 0.07 -0.38 -0.10 -0.04 1.46 1.00 1zc1A9 LYS 39 HG3 0.05 0.10 0.06 -0.04 1.46 1.62 1zc1A9 LYS 39 HD2 0.09 0.10 -0.01 -0.04 1.69 1.82 1zc1A9 LYS 39 HD3 0.10 -0.01 -0.02 -0.04 1.68 1.72 1zc1A9 LYS 39 HE2 0.03 -0.08 -0.02 -0.04 2.99 2.88 1zc1A9 LYS 39 HE3 0.03 0.04 0.00 -0.04 2.99 3.02 1zc1A9 ASP 40 H 0.05 0.28 0.16 -0.55 8.40 8.34 1zc1A9 ASP 40 HA 0.12 0.11 0.38 -0.75 4.63 4.48 1zc1A9 ASP 40 HB2 0.05 -0.02 0.13 -0.04 2.71 2.84 1zc1A9 ASP 40 HB3 0.11 0.03 0.01 -0.04 2.70 2.81 1zc1A9 ASP 41 H 0.07 0.10 -0.11 -0.55 8.40 7.91 1zc1A9 ASP 41 HA 0.11 0.12 0.38 -0.75 4.63 4.49 1zc1A9 ASP 41 HB2 0.05 -0.04 0.05 -0.04 2.71 2.72 1zc1A9 ASP 41 HB3 0.03 0.09 -0.02 -0.04 2.70 2.76 1zc1A9 ALA 42 H 0.09 0.04 -0.36 -0.55 8.40 7.63 1zc1A9 ALA 42 HA 0.05 0.10 0.40 -0.75 4.34 4.14 1zc1A9 ALA 42 HB3 0.17 -0.00 0.05 -0.04 1.41 1.58 1zc1A9 ASN 43 H 0.10 0.32 -0.27 -0.55 8.53 8.14 1zc1A9 ASN 43 HA 0.03 -0.07 0.45 -0.75 4.76 4.41 1zc1A9 ASN 43 HB2 0.00 0.01 0.08 -0.04 2.88 2.93 1zc1A9 ASN 43 HB3 0.05 0.21 0.15 -0.04 2.79 3.16 1zc1A9 ASN 43 HD21 -0.04 0.04 -0.01 -0.04 7.03 6.98 1zc1A9 ASN 43 HD22 -0.26 -0.02 -0.02 -0.04 7.74 7.40 1zc1A9 PHE 44 H 0.26 0.32 -0.24 -0.55 8.34 8.12 1zc1A9 PHE 44 HA 0.07 0.09 0.82 -0.75 4.62 4.85 1zc1A9 PHE 44 HB2 0.01 0.05 0.11 -0.04 3.15 3.29 1zc1A9 PHE 44 HB3 -0.04 -0.11 0.20 -0.04 3.06 3.06 1zc1A9 PHE 44 HD2 -0.02 0.11 -0.04 -0.04 7.28 7.30 1zc1A9 PHE 44 HE2 0.02 -0.00 -0.08 -0.04 7.38 7.28 1zc1A9 PHE 44 HZ 0.02 0.01 -0.07 -0.04 7.32 7.25 1zc1A9 GLY 45 H 0.18 0.12 -0.38 -0.55 8.43 7.81 1zc1A9 GLY 45 HA2 -0.08 0.12 0.83 -0.51 4.01 4.37 1zc1A9 GLY 45 HA3 0.01 -0.03 0.39 -0.51 4.01 3.86 1zc1A9 GLY 46 H -0.40 0.21 0.15 -0.55 8.43 7.84 1zc1A9 GLY 46 HA2 0.52 0.16 0.72 -0.51 4.01 4.91 1zc1A9 GLY 46 HA3 -0.01 0.03 0.41 -0.51 4.01 3.94 1zc1A9 LYS 47 H -0.05 0.05 -0.34 -0.55 8.42 7.53 1zc1A9 LYS 47 HA -0.06 0.24 0.62 -0.75 4.32 4.37 1zc1A9 LYS 47 HB2 -0.15 -0.04 0.01 -0.04 1.87 1.65 1zc1A9 LYS 47 HB3 -0.21 -0.10 -0.13 -0.04 1.79 1.32 1zc1A9 LYS 47 HG2 -0.05 -0.07 -0.39 -0.04 1.46 0.90 1zc1A9 LYS 47 HG3 -0.10 0.08 -0.12 -0.04 1.46 1.28 1zc1A9 LYS 47 HD2 -0.09 -0.07 -0.03 -0.04 1.69 1.45 1zc1A9 LYS 47 HD3 -0.10 -0.08 -0.13 -0.04 1.68 1.33 1zc1A9 LYS 47 HE2 -0.03 0.05 -0.02 -0.04 2.99 2.95 1zc1A9 LYS 47 HE3 -0.04 -0.01 0.02 -0.04 2.99 2.91 1zc1A9 ILE 48 H -0.19 0.34 0.24 -0.55 8.25 8.09 1zc1A9 ILE 48 HA -0.16 0.22 0.99 -0.75 4.18 4.47 1zc1A9 ILE 48 HB -0.09 0.09 0.20 -0.04 1.89 2.05 1zc1A9 ILE 48 HG12 -0.14 0.21 0.06 -0.04 1.49 1.58 1zc1A9 ILE 48 HG13 -0.29 -0.12 -0.19 -0.04 1.21 0.57 1zc1A9 ILE 48 HG23 -0.07 0.03 -0.11 -0.04 0.93 0.73 1zc1A9 ILE 48 HD13 -0.18 -0.01 -0.18 -0.04 0.88 0.47 1zc1A9 PHE 49 H 0.11 0.23 0.30 -0.55 8.34 8.42 1zc1A9 PHE 49 HA -0.24 0.26 1.01 -0.75 4.62 4.90 1zc1A9 PHE 49 HB2 0.07 -0.09 0.22 -0.04 3.15 3.32 1zc1A9 PHE 49 HB3 -0.04 -0.03 0.10 -0.04 3.06 3.05 1zc1A9 PHE 49 HD2 -0.04 0.00 0.05 -0.04 7.28 7.25 1zc1A9 PHE 49 HE2 -0.05 -0.00 -0.03 -0.04 7.38 7.25 1zc1A9 PHE 49 HZ -0.05 -0.03 -0.02 -0.04 7.32 7.18 1zc1A9 LEU 50 H -0.37 0.30 0.33 -0.55 8.37 8.08 1zc1A9 LEU 50 HA -0.24 0.29 0.77 -0.75 4.35 4.41 1zc1A9 LEU 50 HB2 -1.04 -0.04 -0.13 -0.04 1.64 0.39 1zc1A9 LEU 50 HB3 -0.31 0.06 -0.02 -0.04 1.64 1.33 1zc1A9 LEU 50 HG -0.49 0.16 -0.22 -0.04 1.64 1.05 1zc1A9 LEU 50 HD13 -0.60 -0.02 -0.45 -0.04 0.93 -0.18 1zc1A9 LEU 50 HD23 -0.86 0.00 -0.17 -0.04 0.89 -0.18 1zc1A9 PRO 51 HA 0.16 0.19 0.56 -0.51 4.44 4.84 1zc1A9 PRO 51 HB2 0.17 -0.12 0.06 -0.04 2.28 2.35 1zc1A9 PRO 51 HB3 0.14 0.15 0.20 -0.04 2.02 2.46 1zc1A9 PRO 51 HG2 0.35 -0.07 0.12 -0.04 2.03 2.38 1zc1A9 PRO 51 HG3 0.43 0.10 0.07 -0.04 2.03 2.59 1zc1A9 PRO 51 HD2 -0.47 0.12 0.12 -0.04 3.68 3.41 1zc1A9 PRO 51 HD3 -0.09 0.16 0.00 -0.04 3.65 3.68 1zc1A9 PRO 52 HA -0.28 0.06 0.33 -0.51 4.44 4.04 1zc1A9 PRO 52 HB2 0.02 0.04 -0.06 -0.04 2.28 2.23 1zc1A9 PRO 52 HB3 0.01 0.06 0.11 -0.04 2.02 2.15 1zc1A9 PRO 52 HG2 0.08 0.06 -0.08 -0.04 2.03 2.04 1zc1A9 PRO 52 HG3 0.17 0.29 -0.10 -0.04 2.03 2.35 1zc1A9 PRO 52 HD2 0.10 0.16 -0.06 -0.04 3.68 3.83 1zc1A9 PRO 52 HD3 0.17 -0.01 -0.12 -0.04 3.65 3.65 1zc1A9 SER 53 H 0.07 0.10 -0.73 -0.55 8.46 7.35 1zc1A9 SER 53 HA 0.01 0.08 0.37 -0.75 4.49 4.19 1zc1A9 SER 53 HB2 0.08 0.03 0.02 -0.04 3.95 4.04 1zc1A9 SER 53 HB3 0.08 0.06 0.05 -0.04 3.93 4.07 1zc1A9 ALA 54 H 0.06 0.41 -0.18 -0.55 8.40 8.14 1zc1A9 ALA 54 HA 0.18 0.07 0.35 -0.75 4.34 4.19 1zc1A9 ALA 54 HB3 0.23 0.04 -0.03 -0.04 1.41 1.61 1zc1A9 LEU 55 H -0.38 0.21 -0.44 -0.55 8.37 7.21 1zc1A9 LEU 55 HA -0.14 0.05 0.32 -0.75 4.35 3.83 1zc1A9 LEU 55 HB2 -0.25 0.25 0.12 -0.04 1.64 1.73 1zc1A9 LEU 55 HB3 -0.13 0.00 -0.03 -0.04 1.64 1.44 1zc1A9 LEU 55 HG -1.53 -0.06 -0.03 -0.04 1.64 -0.02 1zc1A9 LEU 55 HD13 -0.16 -0.01 0.03 -0.04 0.93 0.75 1zc1A9 LEU 55 HD23 -0.04 0.01 -0.07 -0.04 0.89 0.75 1zc1A9 SER 56 H -0.08 0.34 -0.24 -0.55 8.46 7.93 1zc1A9 SER 56 HA -0.04 0.04 0.39 -0.75 4.49 4.13 1zc1A9 SER 56 HB2 -0.01 0.18 0.15 -0.04 3.95 4.23 1zc1A9 SER 56 HB3 -0.01 -0.02 0.03 -0.04 3.93 3.88 1zc1A9 LYS 57 H -0.06 0.32 -0.28 -0.55 8.42 7.85 1zc1A9 LYS 57 HA -0.09 0.05 0.44 -0.75 4.32 3.97 1zc1A9 LYS 57 HB2 -0.15 0.15 0.14 -0.04 1.87 1.97 1zc1A9 LYS 57 HB3 -0.38 -0.01 0.01 -0.04 1.79 1.36 1zc1A9 LYS 57 HG2 0.06 -0.01 0.02 -0.04 1.46 1.49 1zc1A9 LYS 57 HG3 0.05 0.06 0.03 -0.04 1.46 1.57 1zc1A9 LYS 57 HD2 0.34 -0.02 -0.02 -0.04 1.69 1.94 1zc1A9 LYS 57 HD3 0.56 0.01 0.00 -0.04 1.68 2.22 1zc1A9 LYS 57 HE2 0.11 -0.01 -0.03 -0.04 2.99 3.03 1zc1A9 LYS 57 HE3 0.16 -0.02 -0.03 -0.04 2.99 3.06 1zc1A9 LEU 58 H -0.18 0.45 -0.19 -0.55 8.37 7.90 1zc1A9 LEU 58 HA -0.31 0.03 0.34 -0.75 4.35 3.66 1zc1A9 LEU 58 HB2 -0.08 0.16 0.13 -0.04 1.64 1.81 1zc1A9 LEU 58 HB3 -0.13 -0.03 -0.04 -0.04 1.64 1.40 1zc1A9 LEU 58 HG -0.07 0.24 -0.00 -0.04 1.64 1.76 1zc1A9 LEU 58 HD13 0.23 -0.04 -0.17 -0.04 0.93 0.91 1zc1A9 LEU 58 HD23 -0.12 -0.01 -0.07 -0.04 0.89 0.65 1zc1A9 SER 59 H -0.09 0.46 -0.27 -0.55 8.46 8.01 1zc1A9 SER 59 HA -0.07 0.04 0.38 -0.75 4.49 4.08 1zc1A9 SER 59 HB2 -0.03 0.17 0.13 -0.04 3.95 4.18 1zc1A9 SER 59 HB3 -0.01 -0.04 0.02 -0.04 3.93 3.87 1zc1A9 MET 60 H -0.09 0.31 -0.33 -0.55 8.47 7.82 1zc1A9 MET 60 HA -0.04 0.02 0.41 -0.75 4.52 4.15 1zc1A9 MET 60 HB2 -0.04 -0.01 0.15 -0.04 2.15 2.20 1zc1A9 MET 60 HB3 -0.08 0.18 0.13 -0.04 2.03 2.22 1zc1A9 MET 60 HG2 -0.02 0.02 -0.09 -0.04 2.63 2.49 1zc1A9 MET 60 HG3 -0.02 -0.04 0.07 -0.04 2.56 2.53 1zc1A9 MET 60 HE3 -0.00 -0.01 0.01 -0.04 2.10 2.06 1zc1A9 LEU 61 H -0.13 0.30 -0.30 -0.55 8.37 7.70 1zc1A9 LEU 61 HA -0.05 0.08 0.51 -0.75 4.35 4.14 1zc1A9 LEU 61 HB2 -0.15 0.04 0.04 -0.04 1.64 1.52 1zc1A9 LEU 61 HB3 -0.06 -0.03 0.07 -0.04 1.64 1.58 1zc1A9 LEU 61 HG -0.20 0.12 0.00 -0.04 1.64 1.52 1zc1A9 LEU 61 HD13 -0.10 -0.02 -0.07 -0.04 0.93 0.69 1zc1A9 LEU 61 HD23 0.02 0.00 -0.02 -0.04 0.89 0.84 1zc1A9 ASN 62 H -0.09 0.30 -0.73 -0.55 8.53 7.47 1zc1A9 ASN 62 HA -0.10 0.04 0.27 -0.75 4.76 4.22 1zc1A9 ASN 62 HB2 -0.06 0.19 -0.15 -0.04 2.88 2.83 1zc1A9 ASN 62 HB3 -0.07 -0.10 0.16 -0.04 2.79 2.75 1zc1A9 ASN 62 HD21 -0.03 -0.02 -0.05 -0.04 7.03 6.89 1zc1A9 ASN 62 HD22 -0.02 -0.05 -0.02 -0.04 7.74 7.60 1zc1A9 ILE 63 H -0.17 0.34 -0.17 -0.55 8.25 7.71 1zc1A9 ILE 63 HA -0.15 0.03 0.34 -0.75 4.18 3.65 1zc1A9 ILE 63 HB -0.22 -0.08 -0.07 -0.04 1.89 1.47 1zc1A9 ILE 63 HG12 -0.17 0.21 0.00 -0.04 1.49 1.50 1zc1A9 ILE 63 HG13 -0.17 -0.10 -0.05 -0.04 1.21 0.85 1zc1A9 ILE 63 HG23 -0.19 0.02 -0.18 -0.04 0.93 0.54 1zc1A9 ILE 63 HD13 -0.09 0.03 -0.16 -0.04 0.88 0.62 1zc1A9 ARG 64 H -0.15 0.08 0.14 -0.55 8.46 7.98 1zc1A9 ARG 64 HA -0.24 0.02 0.43 -0.75 4.34 3.80 1zc1A9 ARG 64 HB2 -0.08 0.02 0.10 -0.04 1.90 1.89 1zc1A9 ARG 64 HB3 -0.08 -0.03 0.06 -0.04 1.80 1.72 1zc1A9 ARG 64 HG2 -0.02 0.23 -0.24 -0.04 1.67 1.60 1zc1A9 ARG 64 HG3 -0.04 -0.07 0.05 -0.04 1.67 1.57 1zc1A9 ARG 64 HD2 -0.02 -0.01 -0.05 -0.04 3.22 3.09 1zc1A9 ARG 64 HD3 -0.01 -0.00 -0.02 -0.04 3.22 3.15 1zc1A9 TYR 65 H -0.10 0.07 0.13 -0.55 8.29 7.84 1zc1A9 TYR 65 HA -0.01 -0.00 0.37 -0.75 4.56 4.17 1zc1A9 TYR 65 HB2 -0.00 -0.01 0.08 -0.04 3.06 3.09 1zc1A9 TYR 65 HB3 0.01 -0.03 0.03 -0.04 2.98 2.94 1zc1A9 TYR 65 HD2 0.00 -0.05 -0.03 -0.04 7.15 7.02 1zc1A9 TYR 65 HE2 -0.01 -0.03 -0.05 -0.04 6.85 6.71 1zc1A9 PRO 66 HA 0.22 -0.01 0.35 -0.51 4.44 4.49 1zc1A9 PRO 66 HB2 0.08 0.13 -0.07 -0.04 2.28 2.37 1zc1A9 PRO 66 HB3 0.09 0.02 0.12 -0.04 2.02 2.21 1zc1A9 PRO 66 HG2 0.05 -0.02 0.10 -0.04 2.03 2.12 1zc1A9 PRO 66 HG3 0.06 0.01 0.07 -0.04 2.03 2.13 1zc1A9 PRO 66 HD2 0.05 0.09 0.17 -0.04 3.68 3.94 1zc1A9 PRO 66 HD3 0.06 0.11 0.44 -0.04 3.65 4.22 1zc1A9 MET 67 H 0.17 0.06 0.11 -0.55 8.47 8.26 1zc1A9 MET 67 HA -0.08 0.23 0.59 -0.75 4.52 4.50 1zc1A9 MET 67 HB2 0.22 -0.05 0.06 -0.04 2.15 2.33 1zc1A9 MET 67 HB3 -0.14 0.01 -0.13 -0.04 2.03 1.73 1zc1A9 MET 67 HG2 -0.07 0.09 -0.17 -0.04 2.63 2.45 1zc1A9 MET 67 HG3 0.24 -0.05 -0.11 -0.04 2.56 2.60 1zc1A9 MET 67 HE3 0.09 0.02 -0.10 -0.04 2.10 2.07 1zc1A9 LEU 68 H -0.22 0.23 0.14 -0.55 8.37 7.98 1zc1A9 LEU 68 HA 0.04 0.11 0.92 -0.75 4.35 4.66 1zc1A9 LEU 68 HB2 0.04 0.01 -0.08 -0.04 1.64 1.57 1zc1A9 LEU 68 HB3 0.03 0.03 -0.13 -0.04 1.64 1.52 1zc1A9 LEU 68 HG -0.08 0.16 0.23 -0.04 1.64 1.91 1zc1A9 LEU 68 HD13 0.00 -0.02 0.08 -0.04 0.93 0.96 1zc1A9 LEU 68 HD23 -0.03 -0.02 -0.05 -0.04 0.89 0.75 1zc1A9 PHE 69 H 0.22 0.32 0.16 -0.55 8.34 8.49 1zc1A9 PHE 69 HA 0.10 0.14 1.07 -0.75 4.62 5.18 1zc1A9 PHE 69 HB2 0.04 0.04 -0.14 -0.04 3.15 3.05 1zc1A9 PHE 69 HB3 0.07 -0.01 -0.22 -0.04 3.06 2.86 1zc1A9 PHE 69 HD2 0.12 0.02 -0.40 -0.04 7.28 6.97 1zc1A9 PHE 69 HE2 0.25 -0.01 -0.24 -0.04 7.38 7.35 1zc1A9 PHE 69 HZ 0.25 -0.04 -0.24 -0.04 7.32 7.26 1zc1A9 LYS 70 H 0.18 0.81 0.37 -0.55 8.42 9.23 1zc1A9 LYS 70 HA -0.00 0.00 1.07 -0.75 4.32 4.63 1zc1A9 LYS 70 HB2 -0.01 -0.02 -0.04 -0.04 1.87 1.76 1zc1A9 LYS 70 HB3 -0.01 -0.02 0.11 -0.04 1.79 1.84 1zc1A9 LYS 70 HG2 -0.21 0.01 -0.41 -0.04 1.46 0.81 1zc1A9 LYS 70 HG3 -0.79 0.05 -0.29 -0.04 1.46 0.39 1zc1A9 LYS 70 HD2 -0.37 0.06 -0.21 -0.04 1.69 1.13 1zc1A9 LYS 70 HD3 -0.23 -0.04 -0.16 -0.04 1.68 1.20 1zc1A9 LYS 70 HE2 -0.01 -0.03 -0.12 -0.04 2.99 2.79 1zc1A9 LYS 70 HE3 -0.06 -0.00 -0.17 -0.04 2.99 2.72 1zc1A9 LEU 71 H -0.05 0.29 0.41 -0.55 8.37 8.47 1zc1A9 LEU 71 HA -0.01 0.11 0.83 -0.75 4.35 4.53 1zc1A9 LEU 71 HB2 -0.06 -0.01 0.07 -0.04 1.64 1.60 1zc1A9 LEU 71 HB3 -0.06 0.01 -0.07 -0.04 1.64 1.49 1zc1A9 LEU 71 HG 0.00 -0.08 -0.06 -0.04 1.64 1.47 1zc1A9 LEU 71 HD13 -0.09 0.00 -0.09 -0.04 0.93 0.71 1zc1A9 LEU 71 HD23 -0.04 0.02 -0.18 -0.04 0.89 0.64 1zc1A9 THR 72 H -0.01 0.82 0.43 -0.55 8.28 8.97 1zc1A9 THR 72 HA -0.04 0.07 0.90 -0.75 4.39 4.57 1zc1A9 THR 72 HB 0.00 -0.05 0.16 -0.04 4.32 4.39 1zc1A9 THR 72 HG23 -0.00 0.01 -0.21 -0.04 1.22 0.97 1zc1A9 ALA 73 H -0.03 0.35 0.35 -0.55 8.40 8.52 1zc1A9 ALA 73 HA -0.03 0.05 1.00 -0.75 4.34 4.60 1zc1A9 ALA 73 HB3 -0.04 0.09 0.17 -0.04 1.41 1.59 1zc1A9 ASN 74 H -0.02 0.12 0.12 -0.55 8.53 8.21 1zc1A9 ASN 74 HA -0.00 -0.02 0.44 -0.75 4.76 4.42 1zc1A9 ASN 74 HB2 -0.01 0.16 0.06 -0.04 2.88 3.05 1zc1A9 ASN 74 HB3 -0.00 -0.15 0.13 -0.04 2.79 2.73 1zc1A9 ASN 74 HD21 -0.01 -0.09 0.02 -0.04 7.03 6.91 1zc1A9 ASN 74 HD22 -0.01 0.12 0.03 -0.04 7.74 7.84 1zc1A9 GLU 75 H 0.00 0.12 0.13 -0.55 8.60 8.30 1zc1A9 GLU 75 HA 0.01 0.12 0.33 -0.75 4.29 3.99 1zc1A9 GLU 75 HB2 0.00 -0.05 0.12 -0.04 2.09 2.12 1zc1A9 GLU 75 HB3 0.00 0.06 0.00 -0.04 1.99 2.01 1zc1A9 GLU 75 HG2 0.01 0.04 0.01 -0.04 2.34 2.37 1zc1A9 GLU 75 HG3 0.01 -0.05 0.07 -0.04 2.34 2.32 1zc1A9 THR 76 H 0.00 -0.03 -0.15 -0.55 8.28 7.55 1zc1A9 THR 76 HA 0.00 0.27 0.78 -0.75 4.39 4.69 1zc1A9 THR 76 HB 0.00 0.04 0.16 -0.04 4.32 4.49 1zc1A9 THR 76 HG23 0.00 -0.02 -0.20 -0.04 1.22 0.97 1zc1A9 GLY 77 H -0.00 0.03 -0.33 -0.55 8.43 7.58 1zc1A9 GLY 77 HA2 0.00 0.09 0.58 -0.51 4.01 4.17 1zc1A9 GLY 77 HA3 -0.00 -0.02 0.38 -0.51 4.01 3.85 1zc1A9 ARG 78 H -0.01 0.30 0.18 -0.55 8.46 8.38 1zc1A9 ARG 78 HA -0.00 0.14 0.80 -0.75 4.34 4.52 1zc1A9 ARG 78 HB2 -0.00 0.03 0.02 -0.04 1.90 1.91 1zc1A9 ARG 78 HB3 0.00 -0.01 -0.04 -0.04 1.80 1.71 1zc1A9 ARG 78 HG2 0.01 0.05 -0.00 -0.04 1.67 1.69 1zc1A9 ARG 78 HG3 0.00 -0.07 -0.45 -0.04 1.67 1.10 1zc1A9 ARG 78 HD2 0.01 -0.03 -0.05 -0.04 3.22 3.11 1zc1A9 ARG 78 HD3 0.01 0.04 -0.05 -0.04 3.22 3.17 1zc1A9 VAL 79 H -0.01 0.19 0.12 -0.55 8.24 7.99 1zc1A9 VAL 79 HA -0.05 0.06 1.16 -0.75 4.13 4.55 1zc1A9 VAL 79 HB -0.05 -0.03 0.10 -0.04 2.12 2.10 1zc1A9 VAL 79 HG13 -0.11 0.07 -0.24 -0.04 0.97 0.65 1zc1A9 VAL 79 HG23 -0.02 -0.01 -0.15 -0.04 0.95 0.73 1zc1A9 THR 80 H -0.06 0.30 0.23 -0.55 8.28 8.20 1zc1A9 THR 80 HA 0.02 0.14 0.85 -0.75 4.39 4.65 1zc1A9 THR 80 HB 0.03 -0.03 0.06 -0.04 4.32 4.34 1zc1A9 THR 80 HG23 -0.01 0.01 -0.18 -0.04 1.22 0.99 1zc1A9 HIS 81 H 0.18 0.15 0.13 -0.55 8.41 8.32 1zc1A9 HIS 81 HA 0.06 0.01 1.03 -0.75 4.63 4.98 1zc1A9 HIS 81 HB2 0.05 -0.05 0.04 -0.04 3.26 3.27 1zc1A9 HIS 81 HB3 0.07 0.08 -0.11 -0.04 3.20 3.20 1zc1A9 HIS 81 HD2 0.04 0.04 -0.21 -0.04 6.97 6.80 1zc1A9 HIS 81 HE1 0.02 0.08 -0.11 -0.04 7.75 7.69 1zc1A9 GLY 82 H 0.10 0.13 0.35 -0.55 8.43 8.47 1zc1A9 GLY 82 HA2 0.16 0.16 0.93 -0.51 4.01 4.75 1zc1A9 GLY 82 HA3 0.06 -0.02 0.34 -0.51 4.01 3.87 1zc1A9 GLY 83 H 0.14 0.62 0.43 -0.55 8.43 9.08 1zc1A9 GLY 83 HA2 0.15 0.12 0.85 -0.51 4.01 4.62 1zc1A9 GLY 83 HA3 0.10 -0.06 0.42 -0.51 4.01 3.96 1zc1A9 VAL 84 H 0.10 0.26 0.22 -0.55 8.24 8.27 1zc1A9 VAL 84 HA -0.13 0.08 1.03 -0.75 4.13 4.35 1zc1A9 VAL 84 HB 0.38 0.00 -0.17 -0.04 2.12 2.29 1zc1A9 VAL 84 HG13 0.28 0.04 0.08 -0.04 0.97 1.32 1zc1A9 VAL 84 HG23 -0.11 -0.01 -0.27 -0.04 0.95 0.52 1zc1A9 LEU 85 H -0.30 0.28 0.15 -0.55 8.37 7.96 1zc1A9 LEU 85 HA -0.11 0.20 0.76 -0.75 4.35 4.45 1zc1A9 LEU 85 HB2 -0.28 -0.03 -0.01 -0.04 1.64 1.28 1zc1A9 LEU 85 HB3 -0.53 -0.02 0.14 -0.04 1.64 1.19 1zc1A9 LEU 85 HG -0.18 0.01 -0.19 -0.04 1.64 1.24 1zc1A9 LEU 85 HD13 -0.08 0.01 -0.02 -0.04 0.93 0.80 1zc1A9 LEU 85 HD23 -0.29 -0.01 -0.07 -0.04 0.89 0.49 1zc1A9 GLU 86 H -0.38 0.24 0.20 -0.55 8.60 8.11 1zc1A9 GLU 86 HA 0.03 0.17 0.67 -0.75 4.29 4.41 1zc1A9 GLU 86 HB2 -0.00 0.11 -0.18 -0.04 2.09 1.98 1zc1A9 GLU 86 HB3 0.00 -0.05 -0.06 -0.04 1.99 1.83 1zc1A9 GLU 86 HG2 0.11 0.04 -0.26 -0.04 2.34 2.18 1zc1A9 GLU 86 HG3 0.10 0.01 0.08 -0.04 2.34 2.48 1zc1A9 PHE 87 H 0.30 0.21 0.12 -0.55 8.34 8.40 1zc1A9 PHE 87 HA 0.01 0.18 1.05 -0.75 4.62 5.11 1zc1A9 PHE 87 HB2 0.02 -0.01 0.14 -0.04 3.15 3.26 1zc1A9 PHE 87 HB3 0.00 -0.07 -0.21 -0.04 3.06 2.74 1zc1A9 PHE 87 HD2 -0.04 -0.05 -0.68 -0.04 7.28 6.48 1zc1A9 PHE 87 HE2 -0.10 0.04 -0.20 -0.04 7.38 7.09 1zc1A9 PHE 87 HZ -0.29 0.05 -0.23 -0.04 7.32 6.81 1zc1A9 ILE 88 H 0.14 0.15 0.25 -0.55 8.25 8.25 1zc1A9 ILE 88 HA 0.10 0.22 0.87 -0.75 4.18 4.62 1zc1A9 ILE 88 HB 0.05 -0.00 0.11 -0.04 1.89 2.01 1zc1A9 ILE 88 HG12 0.31 0.02 -0.00 -0.04 1.49 1.77 1zc1A9 ILE 88 HG13 0.04 -0.01 -0.24 -0.04 1.21 0.96 1zc1A9 ILE 88 HG23 0.13 0.05 -0.23 -0.04 0.93 0.84 1zc1A9 ILE 88 HD13 -0.18 0.01 -0.05 -0.04 0.88 0.62 1zc1A9 ALA 89 H 0.10 0.18 -0.01 -0.55 8.40 8.13 1zc1A9 ALA 89 HA 0.03 0.15 0.74 -0.75 4.34 4.50 1zc1A9 ALA 89 HB3 0.03 0.00 0.11 -0.04 1.41 1.51 1zc1A9 GLU 90 H 0.03 0.33 0.20 -0.55 8.60 8.61 1zc1A9 GLU 90 HA 0.06 0.08 0.43 -0.75 4.29 4.10 1zc1A9 GLU 90 HB2 0.03 -0.03 0.13 -0.04 2.09 2.17 1zc1A9 GLU 90 HB3 0.03 0.05 0.03 -0.04 1.99 2.06 1zc1A9 GLU 90 HG2 0.04 0.00 -0.01 -0.04 2.34 2.33 1zc1A9 GLU 90 HG3 0.03 0.09 0.05 -0.04 2.34 2.48 1zc1A9 GLU 91 H 0.03 0.03 -0.05 -0.55 8.60 8.07 1zc1A9 GLU 91 HA 0.04 0.13 0.43 -0.75 4.29 4.14 1zc1A9 GLU 91 HB2 0.00 -0.08 0.01 -0.04 2.09 1.98 1zc1A9 GLU 91 HB3 0.02 0.08 -0.03 -0.04 1.99 2.02 1zc1A9 GLU 91 HG2 0.02 0.06 0.02 -0.04 2.34 2.40 1zc1A9 GLU 91 HG3 0.01 -0.07 0.05 -0.04 2.34 2.28 1zc1A9 GLY 92 H 0.06 -0.12 -0.44 -0.55 8.43 7.38 1zc1A9 GLY 92 HA2 0.19 0.03 0.28 -0.51 4.01 3.99 1zc1A9 GLY 92 HA3 0.16 0.26 0.93 -0.51 4.01 4.85 1zc1A9 ARG 93 H 0.02 -0.04 0.10 -0.55 8.46 7.99 1zc1A9 ARG 93 HA -0.02 0.22 1.00 -0.75 4.34 4.79 1zc1A9 ARG 93 HB2 -0.21 0.02 -0.11 -0.04 1.90 1.56 1zc1A9 ARG 93 HB3 -0.16 -0.11 0.03 -0.04 1.80 1.53 1zc1A9 ARG 93 HG2 -0.78 0.03 -0.31 -0.04 1.67 0.57 1zc1A9 ARG 93 HG3 -0.82 0.08 -0.03 -0.04 1.67 0.86 1zc1A9 ARG 93 HD2 -1.32 0.02 -0.12 -0.04 3.22 1.76 1zc1A9 ARG 93 HD3 -0.78 0.00 -0.08 -0.04 3.22 2.31 1zc1A9 VAL 94 H -0.12 0.42 0.26 -0.55 8.24 8.26 1zc1A9 VAL 94 HA -0.08 0.44 1.09 -0.75 4.13 4.83 1zc1A9 VAL 94 HB -0.31 -0.09 -0.04 -0.04 2.12 1.64 1zc1A9 VAL 94 HG13 -0.05 -0.00 -0.09 -0.04 0.97 0.78 1zc1A9 VAL 94 HG23 -0.17 -0.02 -0.10 -0.04 0.95 0.62 1zc1A9 TYR 95 H 0.15 0.21 0.31 -0.55 8.29 8.41 1zc1A9 TYR 95 HA 0.05 0.21 1.09 -0.75 4.56 5.14 1zc1A9 TYR 95 HB2 0.13 -0.07 0.11 -0.04 3.06 3.19 1zc1A9 TYR 95 HB3 0.05 0.01 -0.02 -0.04 2.98 2.97 1zc1A9 TYR 95 HD2 -0.02 0.01 -0.33 -0.04 7.15 6.77 1zc1A9 TYR 95 HE2 -0.08 0.00 -0.20 -0.04 6.85 6.53 1zc1A9 LEU 96 H 0.10 0.32 0.25 -0.55 8.37 8.48 1zc1A9 LEU 96 HA -0.03 0.25 0.95 -0.75 4.35 4.76 1zc1A9 LEU 96 HB2 -0.05 -0.03 0.04 -0.04 1.64 1.56 1zc1A9 LEU 96 HB3 -0.14 0.04 -0.09 -0.04 1.64 1.41 1zc1A9 LEU 96 HG -0.07 -0.05 -0.29 -0.04 1.64 1.19 1zc1A9 LEU 96 HD13 -0.10 0.01 -0.17 -0.04 0.93 0.62 1zc1A9 LEU 96 HD23 -0.12 0.02 -0.07 -0.04 0.89 0.68 1zc1A9 PRO 97 HA 0.02 0.03 0.45 -0.51 4.44 4.42 1zc1A9 PRO 97 HB2 -0.53 -0.35 0.09 -0.04 2.28 1.45 1zc1A9 PRO 97 HB3 0.25 0.41 0.27 -0.04 2.02 2.92 1zc1A9 PRO 97 HG2 -0.05 0.06 0.13 -0.04 2.03 2.13 1zc1A9 PRO 97 HG3 0.09 0.31 0.16 -0.04 2.03 2.54 1zc1A9 PRO 97 HD2 -0.24 0.03 0.17 -0.04 3.68 3.60 1zc1A9 PRO 97 HD3 -0.05 0.22 0.19 -0.04 3.65 3.97 1zc1A9 GLN 98 H 0.01 0.28 0.29 -0.55 8.47 8.50 1zc1A9 GLN 98 HA -0.02 0.07 0.48 -0.75 4.36 4.14 1zc1A9 GLN 98 HB2 -0.04 0.04 0.17 -0.04 2.15 2.28 1zc1A9 GLN 98 HB3 0.00 0.05 0.03 -0.04 2.02 2.06 1zc1A9 GLN 98 HG2 -0.02 -0.03 0.10 -0.04 2.40 2.41 1zc1A9 GLN 98 HG3 -0.05 -0.04 0.14 -0.04 2.39 2.40 1zc1A9 GLN 98 HE21 -0.01 -0.04 0.02 -0.04 6.97 6.91 1zc1A9 GLN 98 HE22 -0.01 0.04 0.00 -0.04 7.69 7.69 1zc1A9 TRP 99 H 0.35 0.21 -0.03 -0.55 7.97 7.96 1zc1A9 TRP 99 HA -0.01 0.10 0.46 -0.75 4.62 4.42 1zc1A9 TRP 99 HB2 0.03 0.05 0.02 -0.04 3.23 3.29 1zc1A9 TRP 99 HB3 -0.01 0.01 0.07 -0.04 3.23 3.26 1zc1A9 TRP 99 HD1 -0.08 0.05 0.17 -0.04 7.22 7.31 1zc1A9 TRP 99 HE1 0.05 0.34 -0.13 -0.04 10.20 10.42 1zc1A9 TRP 99 HE3 0.05 -0.00 -0.11 -0.04 7.59 7.49 1zc1A9 TRP 99 HZ2 0.38 0.00 -0.08 -0.04 7.44 7.70 1zc1A9 TRP 99 HZ3 0.03 0.40 0.21 -0.04 7.13 7.73 1zc1A9 TRP 99 HH2 0.28 0.04 0.07 -0.04 7.19 7.55 1zc1A9 MET 100 H -1.04 0.08 -0.34 -0.55 8.47 6.62 1zc1A9 MET 100 HA -0.84 0.09 0.37 -0.75 4.52 3.38 1zc1A9 MET 100 HB2 -0.52 0.10 0.02 -0.04 2.15 1.71 1zc1A9 MET 100 HB3 -0.46 0.00 -0.05 -0.04 2.03 1.48 1zc1A9 MET 100 HG2 -2.15 -0.03 0.05 -0.04 2.63 0.45 1zc1A9 MET 100 HG3 -0.57 0.06 0.05 -0.04 2.56 2.06 1zc1A9 MET 100 HE3 -0.24 -0.00 -0.07 -0.04 2.10 1.75 1zc1A9 MET 101 H -0.21 0.43 -0.36 -0.55 8.47 7.78 1zc1A9 MET 101 HA -0.11 0.02 0.33 -0.75 4.52 4.00 1zc1A9 MET 101 HB2 -0.05 0.12 0.12 -0.04 2.15 2.30 1zc1A9 MET 101 HB3 -0.05 0.15 0.02 -0.04 2.03 2.11 1zc1A9 MET 101 HG2 -0.09 0.30 -0.05 -0.04 2.63 2.75 1zc1A9 MET 101 HG3 -0.04 -0.13 -0.02 -0.04 2.56 2.33 1zc1A9 MET 101 HE3 -0.05 0.07 -0.33 -0.04 2.10 1.75 1zc1A9 GLU 102 H -0.05 0.28 -0.30 -0.55 8.60 7.99 1zc1A9 GLU 102 HA -0.01 0.05 0.44 -0.75 4.29 4.02 1zc1A9 GLU 102 HB2 0.06 0.13 0.17 -0.04 2.09 2.41 1zc1A9 GLU 102 HB3 0.04 -0.01 0.01 -0.04 1.99 1.98 1zc1A9 GLU 102 HG2 0.02 -0.02 0.02 -0.04 2.34 2.31 1zc1A9 GLU 102 HG3 0.02 0.11 0.08 -0.04 2.34 2.52 1zc1A9 THR 103 H -0.05 0.45 -0.13 -0.55 8.28 8.00 1zc1A9 THR 103 HA 0.02 0.03 0.39 -0.75 4.39 4.08 1zc1A9 THR 103 HB -0.14 0.08 0.14 -0.04 4.32 4.36 1zc1A9 THR 103 HG23 0.01 -0.02 -0.03 -0.04 1.22 1.14 1zc1A9 LEU 104 H -0.09 0.42 -0.31 -0.55 8.37 7.85 1zc1A9 LEU 104 HA -0.04 0.10 0.51 -0.75 4.35 4.16 1zc1A9 LEU 104 HB2 -0.08 0.06 0.08 -0.04 1.64 1.66 1zc1A9 LEU 104 HB3 -0.06 -0.09 0.03 -0.04 1.64 1.49 1zc1A9 LEU 104 HG -0.13 0.12 -0.03 -0.04 1.64 1.56 1zc1A9 LEU 104 HD13 -0.10 -0.03 -0.16 -0.04 0.93 0.60 1zc1A9 LEU 104 HD23 -0.06 0.00 -0.09 -0.04 0.89 0.70 1zc1A9 GLY 105 H -0.03 0.24 -0.47 -0.55 8.43 7.62 1zc1A9 GLY 105 HA2 -0.01 0.02 0.30 -0.51 4.01 3.80 1zc1A9 GLY 105 HA3 -0.01 0.02 0.42 -0.51 4.01 3.92 1zc1A9 ILE 106 H -0.04 0.38 -0.11 -0.55 8.25 7.93 1zc1A9 ILE 106 HA -0.03 0.13 0.92 -0.75 4.18 4.45 1zc1A9 ILE 106 HB -0.05 0.00 -0.02 -0.04 1.89 1.79 1zc1A9 ILE 106 HG12 -0.06 0.00 -0.03 -0.04 1.49 1.36 1zc1A9 ILE 106 HG13 -0.06 -0.05 -0.10 -0.04 1.21 0.96 1zc1A9 ILE 106 HG23 -0.04 0.03 -0.12 -0.04 0.93 0.76 1zc1A9 ILE 106 HD13 -0.07 -0.00 -0.15 -0.04 0.88 0.62 1zc1A9 GLN 107 H -0.03 0.11 0.14 -0.55 8.47 8.14 1zc1A9 GLN 107 HA -0.03 0.19 0.77 -0.75 4.36 4.54 1zc1A9 GLN 107 HB2 -0.02 0.03 0.09 -0.04 2.15 2.21 1zc1A9 GLN 107 HB3 -0.02 0.01 0.00 -0.04 2.02 1.97 1zc1A9 GLN 107 HG2 -0.03 -0.11 0.07 -0.04 2.40 2.29 1zc1A9 GLN 107 HG3 -0.03 0.11 -0.10 -0.04 2.39 2.33 1zc1A9 GLN 107 HE21 -0.02 -0.01 -0.00 -0.04 6.97 6.90 1zc1A9 GLN 107 HE22 -0.01 -0.01 0.01 -0.04 7.69 7.64 1zc1A9 PRO 108 HA -0.05 -0.00 0.33 -0.51 4.44 4.21 1zc1A9 PRO 108 HB2 -0.04 0.06 0.01 -0.04 2.28 2.27 1zc1A9 PRO 108 HB3 -0.02 -0.03 0.13 -0.04 2.02 2.06 1zc1A9 PRO 108 HG2 -0.02 0.04 0.10 -0.04 2.03 2.11 1zc1A9 PRO 108 HG3 -0.01 0.03 0.09 -0.04 2.03 2.10 1zc1A9 PRO 108 HD2 -0.02 0.10 0.23 -0.04 3.68 3.94 1zc1A9 PRO 108 HD3 -0.02 0.13 0.17 -0.04 3.65 3.89 1zc1A9 GLY 109 H -0.15 0.23 0.21 -0.55 8.43 8.17 1zc1A9 GLY 109 HA2 -0.26 0.03 0.43 -0.51 4.01 3.70 1zc1A9 GLY 109 HA3 -0.12 0.09 0.67 -0.51 4.01 4.14 1zc1A9 SER 110 H -0.09 0.35 -0.23 -0.55 8.46 7.94 1zc1A9 SER 110 HA -0.05 0.01 0.50 -0.75 4.49 4.19 1zc1A9 SER 110 HB2 -0.06 0.01 0.03 -0.04 3.95 3.90 1zc1A9 SER 110 HB3 -0.04 -0.02 0.11 -0.04 3.93 3.94 1zc1A9 LEU 111 H -0.03 0.06 0.21 -0.55 8.37 8.07 1zc1A9 LEU 111 HA -0.14 0.01 0.60 -0.75 4.35 4.07 1zc1A9 LEU 111 HB2 0.06 -0.04 0.12 -0.04 1.64 1.74 1zc1A9 LEU 111 HB3 -0.02 0.05 0.03 -0.04 1.64 1.66 1zc1A9 LEU 111 HG 0.06 -0.02 0.13 -0.04 1.64 1.77 1zc1A9 LEU 111 HD13 0.29 -0.00 0.01 -0.04 0.93 1.19 1zc1A9 LEU 111 HD23 0.14 0.02 -0.00 -0.04 0.89 1.00 1zc1A9 LEU 112 H -0.31 0.39 0.34 -0.55 8.37 8.24 1zc1A9 LEU 112 HA -0.10 0.20 0.96 -0.75 4.35 4.66 1zc1A9 LEU 112 HB2 -0.10 0.01 -0.16 -0.04 1.64 1.34 1zc1A9 LEU 112 HB3 -0.11 0.03 -0.13 -0.04 1.64 1.39 1zc1A9 LEU 112 HG -0.05 -0.04 -0.42 -0.04 1.64 1.09 1zc1A9 LEU 112 HD13 -0.07 0.01 -0.07 -0.04 0.93 0.76 1zc1A9 LEU 112 HD23 -0.08 -0.02 -0.24 -0.04 0.89 0.52 1zc1A9 GLN 113 H -0.05 0.40 0.20 -0.55 8.47 8.48 1zc1A9 GLN 113 HA -0.03 0.12 1.13 -0.75 4.36 4.82 1zc1A9 GLN 113 HB2 0.01 0.08 0.17 -0.04 2.15 2.37 1zc1A9 GLN 113 HB3 0.04 0.04 0.02 -0.04 2.02 2.08 1zc1A9 GLN 113 HG2 0.17 0.02 -0.01 -0.04 2.40 2.54 1zc1A9 GLN 113 HG3 0.02 -0.08 -0.28 -0.04 2.39 2.01 1zc1A9 GLN 113 HE21 0.30 -0.02 -0.08 -0.04 6.97 7.12 1zc1A9 GLN 113 HE22 0.09 -0.01 -0.08 -0.04 7.69 7.65 1zc1A9 ILE 114 H 0.19 0.27 0.15 -0.55 8.25 8.30 1zc1A9 ILE 114 HA 0.09 0.30 1.06 -0.75 4.18 4.87 1zc1A9 ILE 114 HB 0.01 -0.02 -0.19 -0.04 1.89 1.64 1zc1A9 ILE 114 HG12 0.23 -0.02 -0.40 -0.04 1.49 1.25 1zc1A9 ILE 114 HG13 0.12 0.07 -0.28 -0.04 1.21 1.08 1zc1A9 ILE 114 HG23 0.17 -0.01 -0.10 -0.04 0.93 0.94 1zc1A9 ILE 114 HD13 -0.32 -0.01 -0.25 -0.04 0.88 0.26 1zc1A9 SER 115 H 0.15 0.70 0.32 -0.55 8.46 9.08 1zc1A9 SER 115 HA 0.22 0.15 1.17 -0.75 4.49 5.27 1zc1A9 SER 115 HB2 0.09 0.10 -0.04 -0.04 3.95 4.06 1zc1A9 SER 115 HB3 0.06 -0.11 -0.02 -0.04 3.93 3.82 1zc1A9 SER 116 H 0.38 0.38 0.24 -0.55 8.46 8.91 1zc1A9 SER 116 HA -0.08 0.14 0.77 -0.75 4.49 4.56 1zc1A9 SER 116 HB2 0.19 -0.05 -0.00 -0.04 3.95 4.05 1zc1A9 SER 116 HB3 0.27 -0.07 0.15 -0.04 3.93 4.24 1zc1A9 THR 117 H -0.03 0.33 0.35 -0.55 8.28 8.39 1zc1A9 THR 117 HA 0.04 0.45 1.15 -0.75 4.39 5.28 1zc1A9 THR 117 HB 0.11 -0.04 -0.02 -0.04 4.32 4.33 1zc1A9 THR 117 HG23 0.09 -0.01 -0.27 -0.04 1.22 0.99 1zc1A9 ASP 118 H 0.01 0.51 0.29 -0.55 8.40 8.65 1zc1A9 ASP 118 HA -0.03 0.18 0.95 -0.75 4.63 4.97 1zc1A9 ASP 118 HB2 -0.02 -0.26 0.29 -0.04 2.71 2.67 1zc1A9 ASP 118 HB3 -0.03 0.06 0.03 -0.04 2.70 2.72 1zc1A9 VAL 119 H -0.01 0.23 0.13 -0.55 8.24 8.04 1zc1A9 VAL 119 HA 0.00 0.17 0.94 -0.75 4.13 4.49 1zc1A9 VAL 119 HB -0.02 0.18 0.05 -0.04 2.12 2.28 1zc1A9 VAL 119 HG13 -0.00 -0.03 -0.37 -0.04 0.97 0.53 1zc1A9 VAL 119 HG23 -0.03 -0.03 -0.18 -0.04 0.95 0.67 1zc1A9 PRO 120 HA -0.00 0.11 0.45 -0.51 4.44 4.48 1zc1A9 PRO 120 HB2 0.00 -0.08 -0.06 -0.04 2.28 2.11 1zc1A9 PRO 120 HB3 0.00 0.08 0.09 -0.04 2.02 2.15 1zc1A9 PRO 120 HG2 0.00 -0.05 -0.08 -0.04 2.03 1.86 1zc1A9 PRO 120 HG3 0.00 0.13 0.02 -0.04 2.03 2.14 1zc1A9 PRO 120 HD2 -0.00 0.07 0.21 -0.04 3.68 3.91 1zc1A9 PRO 120 HD3 0.00 0.18 0.26 -0.04 3.65 4.05 1zc1A9 LEU 121 H 0.00 0.13 0.17 -0.55 8.37 8.12 1zc1A9 LEU 121 HA -0.00 0.08 0.76 -0.75 4.35 4.43 1zc1A9 LEU 121 HB2 0.01 -0.06 0.20 -0.04 1.64 1.75 1zc1A9 LEU 121 HB3 0.01 0.12 0.01 -0.04 1.64 1.74 1zc1A9 LEU 121 HG 0.00 0.16 0.01 -0.04 1.64 1.77 1zc1A9 LEU 121 HD13 0.01 -0.03 0.06 -0.04 0.93 0.93 1zc1A9 LEU 121 HD23 0.01 -0.02 -0.01 -0.04 0.89 0.83 1zc1A9 GLY 122 H -0.00 0.10 0.10 -0.55 8.43 8.08 1zc1A9 GLY 122 HA2 0.02 0.04 0.49 -0.51 4.01 4.05 1zc1A9 GLY 122 HA3 0.01 0.01 0.25 -0.51 4.01 3.77 1zc1A9 GLN 123 H 0.06 0.45 0.33 -0.55 8.47 8.76 1zc1A9 GLN 123 HA 0.05 0.24 0.93 -0.75 4.36 4.82 1zc1A9 GLN 123 HB2 0.07 0.01 0.13 -0.04 2.15 2.32 1zc1A9 GLN 123 HB3 0.07 -0.03 0.07 -0.04 2.02 2.09 1zc1A9 GLN 123 HG2 0.03 0.03 -0.00 -0.04 2.40 2.42 1zc1A9 GLN 123 HG3 0.03 0.04 -0.11 -0.04 2.39 2.31 1zc1A9 GLN 123 HE21 0.02 0.02 -0.01 -0.04 6.97 6.96 1zc1A9 GLN 123 HE22 0.02 -0.03 -0.01 -0.04 7.69 7.63 1zc1A9 PHE 124 H 0.14 0.17 0.24 -0.55 8.34 8.34 1zc1A9 PHE 124 HA 0.00 0.27 0.97 -0.75 4.62 5.11 1zc1A9 PHE 124 HB2 0.00 0.05 -0.11 -0.04 3.15 3.05 1zc1A9 PHE 124 HB3 -0.00 -0.10 0.11 -0.04 3.06 3.03 1zc1A9 PHE 124 HD2 0.00 -0.04 -0.16 -0.04 7.28 7.03 1zc1A9 PHE 124 HE2 0.01 0.00 -0.15 -0.04 7.38 7.20 1zc1A9 PHE 124 HZ 0.01 -0.02 -0.11 -0.04 7.32 7.16 1zc1A9 VAL 125 H -0.66 0.86 0.31 -0.55 8.24 8.21 1zc1A9 VAL 125 HA -0.14 0.08 0.99 -0.75 4.13 4.31 1zc1A9 VAL 125 HB -0.11 -0.03 -0.22 -0.04 2.12 1.73 1zc1A9 VAL 125 HG13 -0.17 -0.02 -0.20 -0.04 0.97 0.54 1zc1A9 VAL 125 HG23 -0.12 0.01 -0.26 -0.04 0.95 0.53 1zc1A9 LYS 126 H -0.11 0.43 0.20 -0.55 8.42 8.40 1zc1A9 LYS 126 HA -0.21 0.10 0.94 -0.75 4.32 4.39 1zc1A9 LYS 126 HB2 0.00 -0.50 0.37 -0.04 1.87 1.70 1zc1A9 LYS 126 HB3 -0.01 0.07 0.04 -0.04 1.79 1.85 1zc1A9 LYS 126 HG2 0.26 0.00 -0.03 -0.04 1.46 1.65 1zc1A9 LYS 126 HG3 0.35 0.14 0.01 -0.04 1.46 1.92 1zc1A9 LYS 126 HD2 0.11 -0.09 0.05 -0.04 1.69 1.72 1zc1A9 LYS 126 HD3 0.10 0.02 -0.02 -0.04 1.68 1.74 1zc1A9 LYS 126 HE2 0.09 -0.00 -0.06 -0.04 2.99 2.97 1zc1A9 LYS 126 HE3 0.22 0.00 -0.07 -0.04 2.99 3.10 1zc1A9 LEU 127 H -0.20 0.71 0.40 -0.55 8.37 8.72 1zc1A9 LEU 127 HA -0.20 0.15 0.91 -0.75 4.35 4.45 1zc1A9 LEU 127 HB2 -0.52 0.03 0.04 -0.04 1.64 1.15 1zc1A9 LEU 127 HB3 -0.42 0.00 -0.12 -0.04 1.64 1.06 1zc1A9 LEU 127 HG -0.21 -0.04 -0.29 -0.04 1.64 1.06 1zc1A9 LEU 127 HD13 -0.18 -0.01 -0.14 -0.04 0.93 0.56 1zc1A9 LEU 127 HD23 -0.17 0.02 -0.20 -0.04 0.89 0.50 1zc1A9 GLU 128 H -0.19 0.58 0.27 -0.55 8.60 8.72 1zc1A9 GLU 128 HA -0.13 0.15 0.98 -0.75 4.29 4.53 1zc1A9 GLU 128 HB2 -0.07 -0.09 -0.00 -0.04 2.09 1.88 1zc1A9 GLU 128 HB3 -0.10 0.11 0.23 -0.04 1.99 2.19 1zc1A9 GLU 128 HG2 -0.07 0.20 -0.15 -0.04 2.34 2.28 1zc1A9 GLU 128 HG3 -0.03 -0.01 -0.01 -0.04 2.34 2.24 1zc1A9 PRO 129 HA -0.59 0.07 0.43 -0.51 4.44 3.84 1zc1A9 PRO 129 HB2 0.05 -0.03 -0.12 -0.04 2.28 2.13 1zc1A9 PRO 129 HB3 0.06 -0.01 0.02 -0.04 2.02 2.05 1zc1A9 PRO 129 HG2 0.16 0.12 0.03 -0.04 2.03 2.30 1zc1A9 PRO 129 HG3 -0.07 -0.01 0.01 -0.04 2.03 1.91 1zc1A9 PRO 129 HD2 -0.04 0.22 0.11 -0.04 3.68 3.94 1zc1A9 PRO 129 HD3 -0.17 0.25 0.34 -0.04 3.65 4.03 1zc1A9 GLN 130 H -0.35 0.16 0.21 -0.55 8.47 7.95 1zc1A9 GLN 130 HA -0.03 0.11 1.05 -0.75 4.36 4.73 1zc1A9 GLN 130 HB2 -0.09 0.16 0.06 -0.04 2.15 2.25 1zc1A9 GLN 130 HB3 -0.02 -0.05 0.28 -0.04 2.02 2.18 1zc1A9 GLN 130 HG2 0.03 -0.05 -0.15 -0.04 2.40 2.19 1zc1A9 GLN 130 HG3 -0.01 0.01 0.09 -0.04 2.39 2.44 1zc1A9 GLN 130 HE21 -0.00 -0.02 0.01 -0.04 6.97 6.91 1zc1A9 GLN 130 HE22 -0.01 0.01 0.02 -0.04 7.69 7.66 1zc1A9 SER 131 H 0.04 0.16 0.17 -0.55 8.46 8.28 1zc1A9 SER 131 HA 0.06 0.12 0.47 -0.75 4.49 4.39 1zc1A9 SER 131 HB2 0.07 0.05 -0.25 -0.04 3.95 3.78 1zc1A9 SER 131 HB3 0.14 -0.10 0.17 -0.04 3.93 4.10 1zc1A9 VAL 132 H 0.07 0.22 0.16 -0.55 8.24 8.14 1zc1A9 VAL 132 HA 0.10 0.12 0.36 -0.75 4.13 3.95 1zc1A9 VAL 132 HB 0.06 0.01 0.03 -0.04 2.12 2.17 1zc1A9 VAL 132 HG13 0.05 0.02 0.02 -0.04 0.97 1.01 1zc1A9 VAL 132 HG23 0.05 0.02 0.06 -0.04 0.95 1.04 1zc1A9 ASP 133 H 0.12 0.03 -0.36 -0.55 8.40 7.64 1zc1A9 ASP 133 HA 0.09 0.08 0.38 -0.75 4.63 4.43 1zc1A9 ASP 133 HB2 0.21 0.03 0.07 -0.04 2.71 2.98 1zc1A9 ASP 133 HB3 0.20 0.04 -0.01 -0.04 2.70 2.90 1zc1A9 PHE 134 H 0.31 0.42 -0.16 -0.55 8.34 8.36 1zc1A9 PHE 134 HA -0.15 0.02 0.43 -0.75 4.62 4.17 1zc1A9 PHE 134 HB2 0.19 0.11 0.26 -0.04 3.15 3.67 1zc1A9 PHE 134 HB3 0.07 0.08 0.13 -0.04 3.06 3.29 1zc1A9 PHE 134 HD2 -0.06 0.01 -0.12 -0.04 7.28 7.08 1zc1A9 PHE 134 HE2 -0.01 -0.00 -0.11 -0.04 7.38 7.23 1zc1A9 PHE 134 HZ -0.07 0.01 -0.10 -0.04 7.32 7.11 1zc1A9 LEU 135 H 0.20 0.21 -0.33 -0.55 8.37 7.90 1zc1A9 LEU 135 HA 0.01 0.07 0.50 -0.75 4.35 4.17 1zc1A9 LEU 135 HB2 0.09 0.08 0.04 -0.04 1.64 1.81 1zc1A9 LEU 135 HB3 0.05 0.00 0.08 -0.04 1.64 1.74 1zc1A9 LEU 135 HG 0.30 -0.04 -0.06 -0.04 1.64 1.80 1zc1A9 LEU 135 HD13 0.14 0.00 -0.05 -0.04 0.93 0.99 1zc1A9 LEU 135 HD23 0.43 0.00 -0.06 -0.04 0.89 1.23 1zc1A9 ASP 136 H -0.00 0.19 -0.66 -0.55 8.40 7.38 1zc1A9 ASP 136 HA -0.02 0.00 0.34 -0.75 4.63 4.20 1zc1A9 ASP 136 HB2 0.02 -0.08 0.16 -0.04 2.71 2.77 1zc1A9 ASP 136 HB3 -0.02 0.13 0.12 -0.04 2.70 2.89 1zc1A9 ILE 137 H -0.18 0.23 -0.37 -0.55 8.25 7.37 1zc1A9 ILE 137 HA -0.13 -0.05 0.33 -0.75 4.18 3.58 1zc1A9 ILE 137 HB -0.33 0.08 -0.04 -0.04 1.89 1.56 1zc1A9 ILE 137 HG12 -0.24 -0.05 0.01 -0.04 1.49 1.17 1zc1A9 ILE 137 HG13 -0.32 0.11 0.06 -0.04 1.21 1.01 1zc1A9 ILE 137 HG23 -0.22 -0.07 -0.20 -0.04 0.93 0.40 1zc1A9 ILE 137 HD13 -0.63 0.01 0.01 -0.04 0.88 0.22 1zc1A9 SER 138 H -0.09 0.06 0.16 -0.55 8.46 8.05 1zc1A9 SER 138 HA -0.07 0.16 0.43 -0.75 4.49 4.26 1zc1A9 SER 138 HB2 -0.05 0.03 0.16 -0.04 3.95 4.04 1zc1A9 SER 138 HB3 -0.07 -0.08 0.11 -0.04 3.93 3.85 1zc1A9 ASP 139 H -0.12 0.03 -0.24 -0.55 8.40 7.52 1zc1A9 ASP 139 HA -0.11 0.27 0.91 -0.75 4.63 4.95 1zc1A9 ASP 139 HB2 -0.07 0.09 -0.08 -0.04 2.71 2.60 1zc1A9 ASP 139 HB3 -0.09 -0.02 0.16 -0.04 2.70 2.71 1zc1A9 PRO 140 HA -0.26 0.08 0.43 -0.51 4.44 4.18 1zc1A9 PRO 140 HB2 0.04 0.01 -0.06 -0.04 2.28 2.22 1zc1A9 PRO 140 HB3 -0.30 0.18 0.07 -0.04 2.02 1.93 1zc1A9 PRO 140 HG2 -0.30 -0.04 0.02 -0.04 2.03 1.67 1zc1A9 PRO 140 HG3 -0.19 0.19 0.03 -0.04 2.03 2.02 1zc1A9 PRO 140 HD2 -0.17 0.10 0.10 -0.04 3.68 3.67 1zc1A9 PRO 140 HD3 -0.16 0.56 -0.33 -0.04 3.65 3.68 1zc1A9 LYS 141 H -0.11 0.21 -0.17 -0.55 8.42 7.80 1zc1A9 LYS 141 HA 0.10 0.12 0.36 -0.75 4.32 4.15 1zc1A9 LYS 141 HB2 -0.09 0.06 0.08 -0.04 1.87 1.88 1zc1A9 LYS 141 HB3 -0.06 -0.03 0.04 -0.04 1.79 1.70 1zc1A9 LYS 141 HG2 0.00 -0.00 -0.22 -0.04 1.46 1.20 1zc1A9 LYS 141 HG3 0.04 0.03 0.02 -0.04 1.46 1.52 1zc1A9 LYS 141 HD2 -0.03 0.02 0.01 -0.04 1.69 1.64 1zc1A9 LYS 141 HD3 -0.03 -0.01 -0.03 -0.04 1.68 1.57 1zc1A9 LYS 141 HE2 0.00 -0.00 -0.03 -0.04 2.99 2.91 1zc1A9 LYS 141 HE3 0.02 0.03 0.00 -0.04 2.99 3.00 1zc1A9 ALA 142 H -0.06 0.14 -0.34 -0.55 8.40 7.59 1zc1A9 ALA 142 HA -0.02 0.10 0.40 -0.75 4.34 4.07 1zc1A9 ALA 142 HB3 -0.05 0.05 0.05 -0.04 1.41 1.42 1zc1A9 VAL 143 H -0.10 0.22 -0.27 -0.55 8.24 7.54 1zc1A9 VAL 143 HA -0.10 0.03 0.38 -0.75 4.13 3.68 1zc1A9 VAL 143 HB -0.19 0.17 0.12 -0.04 2.12 2.18 1zc1A9 VAL 143 HG13 -0.22 -0.01 -0.06 -0.04 0.97 0.63 1zc1A9 VAL 143 HG23 -0.32 0.01 0.04 -0.04 0.95 0.64 1zc1A9 LEU 144 H 0.02 0.48 -0.28 -0.55 8.37 8.05 1zc1A9 LEU 144 HA 0.06 0.02 0.35 -0.75 4.35 4.03 1zc1A9 LEU 144 HB2 0.17 0.03 0.04 -0.04 1.64 1.84 1zc1A9 LEU 144 HB3 0.10 0.14 0.08 -0.04 1.64 1.92 1zc1A9 LEU 144 HG 0.03 -0.03 -0.10 -0.04 1.64 1.50 1zc1A9 LEU 144 HD13 0.01 0.01 -0.29 -0.04 0.93 0.62 1zc1A9 LEU 144 HD23 -0.01 -0.01 -0.05 -0.04 0.89 0.78 1zc1A9 GLU 145 H 0.02 0.38 -0.27 -0.55 8.60 8.18 1zc1A9 GLU 145 HA 0.03 0.08 0.43 -0.75 4.29 4.07 1zc1A9 GLU 145 HB2 0.01 0.11 0.17 -0.04 2.09 2.33 1zc1A9 GLU 145 HB3 0.01 -0.01 0.01 -0.04 1.99 1.97 1zc1A9 GLU 145 HG2 0.02 0.01 0.03 -0.04 2.34 2.36 1zc1A9 GLU 145 HG3 0.02 0.17 0.08 -0.04 2.34 2.57 1zc1A9 ASN 146 H 0.01 0.41 -0.20 -0.55 8.53 8.20 1zc1A9 ASN 146 HA 0.02 0.04 0.43 -0.75 4.76 4.50 1zc1A9 ASN 146 HB2 0.01 0.00 0.10 -0.04 2.88 2.95 1zc1A9 ASN 146 HB3 0.01 0.11 0.14 -0.04 2.79 3.01 1zc1A9 ASN 146 HD21 0.05 0.02 -0.07 -0.04 7.03 6.99 1zc1A9 ASN 146 HD22 0.06 -0.05 -0.06 -0.04 7.74 7.66 1zc1A9 VAL 147 H 0.05 0.50 -0.17 -0.55 8.24 8.08 1zc1A9 VAL 147 HA 0.13 -0.01 0.43 -0.75 4.13 3.92 1zc1A9 VAL 147 HB 0.21 -0.03 -0.04 -0.04 2.12 2.22 1zc1A9 VAL 147 HG13 0.09 -0.03 -0.04 -0.04 0.97 0.95 1zc1A9 VAL 147 HG23 0.07 0.03 0.09 -0.04 0.95 1.09 1zc1A9 LEU 148 H 0.08 0.41 -0.26 -0.55 8.37 8.05 1zc1A9 LEU 148 HA 0.14 -0.00 0.36 -0.75 4.35 4.09 1zc1A9 LEU 148 HB2 0.05 0.12 0.14 -0.04 1.64 1.91 1zc1A9 LEU 148 HB3 0.05 0.12 0.03 -0.04 1.64 1.79 1zc1A9 LEU 148 HG 0.03 0.21 0.07 -0.04 1.64 1.90 1zc1A9 LEU 148 HD13 0.01 -0.04 -0.10 -0.04 0.93 0.76 1zc1A9 LEU 148 HD23 -0.00 -0.02 -0.08 -0.04 0.89 0.74 1zc1A9 ARG 149 H 0.06 0.26 -0.33 -0.55 8.46 7.90 1zc1A9 ARG 149 HA 0.05 0.12 0.38 -0.75 4.34 4.13 1zc1A9 ARG 149 HB2 0.03 0.15 0.14 -0.04 1.90 2.18 1zc1A9 ARG 149 HB3 0.02 -0.11 -0.02 -0.04 1.80 1.65 1zc1A9 ARG 149 HG2 0.03 0.07 0.04 -0.04 1.67 1.76 1zc1A9 ARG 149 HG3 0.03 0.20 0.11 -0.04 1.67 1.97 1zc1A9 ARG 149 HD2 0.02 -0.05 0.02 -0.04 3.22 3.17 1zc1A9 ARG 149 HD3 0.02 -0.08 -0.00 -0.04 3.22 3.11 1zc1A9 ASN 150 H 0.06 0.26 -0.31 -0.55 8.53 7.99 1zc1A9 ASN 150 HA -0.06 -0.05 0.37 -0.75 4.76 4.26 1zc1A9 ASN 150 HB2 -0.04 0.23 0.19 -0.04 2.88 3.22 1zc1A9 ASN 150 HB3 -0.31 -0.17 0.06 -0.04 2.79 2.33 1zc1A9 ASN 150 HD21 -0.05 -0.02 0.03 -0.04 7.03 6.95 1zc1A9 ASN 150 HD22 -0.01 -0.06 -0.01 -0.04 7.74 7.63 1zc1A9 PHE 151 H 0.23 0.46 -0.29 -0.55 8.34 8.19 1zc1A9 PHE 151 HA 0.09 -0.09 0.79 -0.75 4.62 4.66 1zc1A9 PHE 151 HB2 0.05 0.10 0.08 -0.04 3.15 3.34 1zc1A9 PHE 151 HB3 0.09 0.10 -0.01 -0.04 3.06 3.21 1zc1A9 PHE 151 HD2 0.13 0.19 0.07 -0.04 7.28 7.63 1zc1A9 PHE 151 HE2 0.32 -0.03 -0.01 -0.04 7.38 7.61 1zc1A9 PHE 151 HZ -0.35 0.28 0.04 -0.04 7.32 7.25 1zc1A9 SER 152 H 0.14 0.04 0.14 -0.55 8.46 8.23 1zc1A9 SER 152 HA 0.09 0.12 0.34 -0.75 4.49 4.28 1zc1A9 SER 152 HB2 0.13 -0.05 0.20 -0.04 3.95 4.18 1zc1A9 SER 152 HB3 0.09 0.08 0.07 -0.04 3.93 4.13 1zc1A9 THR 153 H 0.19 0.08 -0.20 -0.55 8.28 7.80 1zc1A9 THR 153 HA 0.06 0.08 0.94 -0.75 4.39 4.71 1zc1A9 THR 153 HB 0.02 0.02 -0.18 -0.04 4.32 4.14 1zc1A9 THR 153 HG23 0.09 -0.02 -0.24 -0.04 1.22 1.01 1zc1A9 LEU 154 H -0.01 0.65 0.35 -0.55 8.37 8.82 1zc1A9 LEU 154 HA -0.02 0.15 0.96 -0.75 4.35 4.68 1zc1A9 LEU 154 HB2 -0.01 0.10 -0.13 -0.04 1.64 1.56 1zc1A9 LEU 154 HB3 -0.03 -0.03 0.04 -0.04 1.64 1.58 1zc1A9 LEU 154 HG -0.08 0.05 -0.10 -0.04 1.64 1.47 1zc1A9 LEU 154 HD13 -0.07 0.00 -0.14 -0.04 0.93 0.68 1zc1A9 LEU 154 HD23 -0.06 -0.04 -0.39 -0.04 0.89 0.35 1zc1A9 THR 155 H -0.02 0.26 0.14 -0.55 8.28 8.11 1zc1A9 THR 155 HA -0.09 0.11 1.08 -0.75 4.39 4.74 1zc1A9 THR 155 HB 0.08 -0.03 0.17 -0.04 4.32 4.49 1zc1A9 THR 155 HG23 0.07 -0.00 0.09 -0.04 1.22 1.34 1zc1A9 VAL 156 H -0.03 0.28 0.22 -0.55 8.24 8.16 1zc1A9 VAL 156 HA -0.03 0.00 0.38 -0.75 4.13 3.72 1zc1A9 VAL 156 HB -0.00 0.01 0.13 -0.04 2.12 2.22 1zc1A9 VAL 156 HG13 -0.01 0.01 -0.30 -0.04 0.97 0.63 1zc1A9 VAL 156 HG23 -0.02 -0.03 -0.07 -0.04 0.95 0.79 1zc1A9 ASP 157 H 0.01 0.03 -0.05 -0.55 8.40 7.85 1zc1A9 ASP 157 HA 0.01 0.13 0.50 -0.75 4.63 4.51 1zc1A9 ASP 157 HB2 0.05 -0.05 0.09 -0.04 2.71 2.76 1zc1A9 ASP 157 HB3 0.03 0.01 0.02 -0.04 2.70 2.72 1zc1A9 ASP 158 H 0.04 -0.10 -0.30 -0.55 8.40 7.50 1zc1A9 ASP 158 HA 0.05 0.05 0.50 -0.75 4.63 4.47 1zc1A9 ASP 158 HB2 0.06 -0.00 0.14 -0.04 2.71 2.87 1zc1A9 ASP 158 HB3 0.09 0.04 -0.01 -0.04 2.70 2.78 1zc1A9 VAL 159 H 0.09 0.11 0.17 -0.55 8.24 8.06 1zc1A9 VAL 159 HA -0.01 0.25 1.00 -0.75 4.13 4.61 1zc1A9 VAL 159 HB 0.10 -0.06 0.13 -0.04 2.12 2.24 1zc1A9 VAL 159 HG13 0.01 0.01 -0.18 -0.04 0.97 0.77 1zc1A9 VAL 159 HG23 0.02 0.04 -0.08 -0.04 0.95 0.89 1zc1A9 ILE 160 H -0.10 0.59 0.31 -0.55 8.25 8.50 1zc1A9 ILE 160 HA 0.01 0.10 0.86 -0.75 4.18 4.39 1zc1A9 ILE 160 HB -1.24 0.01 0.04 -0.04 1.89 0.66 1zc1A9 ILE 160 HG12 -0.25 0.26 0.21 -0.04 1.49 1.67 1zc1A9 ILE 160 HG13 -0.28 -0.17 0.05 -0.04 1.21 0.78 1zc1A9 ILE 160 HG23 -0.39 0.01 -0.04 -0.04 0.93 0.46 1zc1A9 ILE 160 HD13 -0.38 -0.01 -0.08 -0.04 0.88 0.37 1zc1A9 GLU 161 H -1.22 0.19 0.19 -0.55 8.60 7.22 1zc1A9 GLU 161 HA -0.20 0.27 1.06 -0.75 4.29 4.67 1zc1A9 GLU 161 HB2 -1.04 -0.04 0.06 -0.04 2.09 1.03 1zc1A9 GLU 161 HB3 -0.26 -0.02 -0.06 -0.04 1.99 1.61 1zc1A9 GLU 161 HG2 -0.05 0.01 -0.17 -0.04 2.34 2.10 1zc1A9 GLU 161 HG3 0.01 0.04 -0.35 -0.04 2.34 1.99 1zc1A9 ILE 162 H -0.02 0.58 0.34 -0.55 8.25 8.60 1zc1A9 ILE 162 HA 0.01 0.27 0.94 -0.75 4.18 4.65 1zc1A9 ILE 162 HB 0.11 -0.01 0.00 -0.04 1.89 1.95 1zc1A9 ILE 162 HG12 0.13 0.17 0.06 -0.04 1.49 1.81 1zc1A9 ILE 162 HG13 0.22 -0.17 0.02 -0.04 1.21 1.25 1zc1A9 ILE 162 HG23 0.20 -0.00 -0.30 -0.04 0.93 0.79 1zc1A9 ILE 162 HD13 0.13 -0.01 -0.11 -0.04 0.88 0.86 1zc1A9 SER 163 H 0.02 0.25 0.17 -0.55 8.46 8.35 1zc1A9 SER 163 HA -0.03 0.35 1.08 -0.75 4.49 5.15 1zc1A9 SER 163 HB2 -0.59 0.01 -0.13 -0.04 3.95 3.20 1zc1A9 SER 163 HB3 -0.86 -0.01 0.10 -0.04 3.93 3.12 1zc1A9 TYR 164 H 0.16 1.05 0.31 -0.55 8.29 9.27 1zc1A9 TYR 164 HA -0.04 0.12 0.98 -0.75 4.56 4.86 1zc1A9 TYR 164 HB2 0.03 0.03 -0.12 -0.04 3.06 2.96 1zc1A9 TYR 164 HB3 0.11 0.03 0.09 -0.04 2.98 3.18 1zc1A9 TYR 164 HD2 0.00 0.02 -0.10 -0.04 7.15 7.03 1zc1A9 TYR 164 HE2 -0.03 0.01 -0.03 -0.04 6.85 6.76 1zc1A9 ASN 165 H -0.40 0.21 0.12 -0.55 8.53 7.91 1zc1A9 ASN 165 HA -0.22 0.05 0.32 -0.75 4.76 4.16 1zc1A9 ASN 165 HB2 0.05 0.21 -0.08 -0.04 2.88 3.02 1zc1A9 ASN 165 HB3 -0.05 0.02 0.24 -0.04 2.79 2.96 1zc1A9 ASN 165 HD21 0.18 0.04 -0.05 -0.04 7.03 7.15 1zc1A9 ASN 165 HD22 0.08 0.00 -0.03 -0.04 7.74 7.75 1zc1A9 GLY 166 H -0.16 0.06 -0.39 -0.55 8.43 7.39 1zc1A9 GLY 166 HA2 -0.14 -0.01 0.21 -0.51 4.01 3.56 1zc1A9 GLY 166 HA3 -0.07 0.17 0.57 -0.51 4.01 4.18 1zc1A9 LYS 167 H -0.00 0.39 -0.62 -0.55 8.42 7.64 1zc1A9 LYS 167 HA -0.08 0.15 0.84 -0.75 4.32 4.47 1zc1A9 LYS 167 HB2 0.17 0.15 0.09 -0.04 1.87 2.25 1zc1A9 LYS 167 HB3 -0.22 0.01 -0.03 -0.04 1.79 1.51 1zc1A9 LYS 167 HG2 -0.04 -0.00 -0.04 -0.04 1.46 1.33 1zc1A9 LYS 167 HG3 0.02 0.05 -0.15 -0.04 1.46 1.34 1zc1A9 LYS 167 HD2 0.07 -0.02 -0.03 -0.04 1.69 1.67 1zc1A9 LYS 167 HD3 0.04 -0.02 -0.02 -0.04 1.68 1.64 1zc1A9 LYS 167 HE2 0.11 0.03 0.00 -0.04 2.99 3.09 1zc1A9 LYS 167 HE3 0.27 0.04 -0.00 -0.04 2.99 3.26 1zc1A9 THR 168 H -0.17 0.18 0.17 -0.55 8.28 7.91 1zc1A9 THR 168 HA 0.01 0.37 1.19 -0.75 4.39 5.21 1zc1A9 THR 168 HB 0.02 0.03 -0.07 -0.04 4.32 4.26 1zc1A9 THR 168 HG23 0.11 -0.00 -0.18 -0.04 1.22 1.11 1zc1A9 PHE 169 H 0.19 0.76 0.41 -0.55 8.34 9.15 1zc1A9 PHE 169 HA 0.05 0.15 1.00 -0.75 4.62 5.07 1zc1A9 PHE 169 HB2 0.15 -0.01 0.07 -0.04 3.15 3.33 1zc1A9 PHE 169 HB3 0.25 0.05 0.00 -0.04 3.06 3.32 1zc1A9 PHE 169 HD2 0.20 0.03 -0.05 -0.04 7.28 7.43 1zc1A9 PHE 169 HE2 0.09 -0.02 -0.12 -0.04 7.38 7.29 1zc1A9 PHE 169 HZ 0.03 -0.01 -0.10 -0.04 7.32 7.21 1zc1A9 LYS 170 H 0.07 0.14 0.19 -0.55 8.42 8.27 1zc1A9 LYS 170 HA -0.05 0.27 1.04 -0.75 4.32 4.83 1zc1A9 LYS 170 HB2 -0.03 -0.04 0.10 -0.04 1.87 1.85 1zc1A9 LYS 170 HB3 -0.03 0.08 -0.08 -0.04 1.79 1.71 1zc1A9 LYS 170 HG2 -0.01 0.03 -0.15 -0.04 1.46 1.29 1zc1A9 LYS 170 HG3 -0.01 -0.07 -0.12 -0.04 1.46 1.22 1zc1A9 LYS 170 HD2 -0.00 -0.02 -0.03 -0.04 1.69 1.59 1zc1A9 LYS 170 HD3 0.02 0.05 -0.08 -0.04 1.68 1.62 1zc1A9 LYS 170 HE2 0.04 -0.00 -0.09 -0.04 2.99 2.90 1zc1A9 LYS 170 HE3 0.01 -0.02 -0.07 -0.04 2.99 2.87 1zc1A9 ILE 171 H -0.12 0.87 0.33 -0.55 8.25 8.78 1zc1A9 ILE 171 HA -0.24 0.20 1.00 -0.75 4.18 4.38 1zc1A9 ILE 171 HB -0.16 0.00 0.09 -0.04 1.89 1.78 1zc1A9 ILE 171 HG12 -0.05 -0.03 -0.36 -0.04 1.49 1.00 1zc1A9 ILE 171 HG13 -0.03 -0.02 -0.14 -0.04 1.21 0.98 1zc1A9 ILE 171 HG23 -0.18 -0.00 -0.17 -0.04 0.93 0.54 1zc1A9 ILE 171 HD13 -0.47 0.02 -0.13 -0.04 0.88 0.26 1zc1A9 LYS 172 H -0.17 0.39 0.20 -0.55 8.42 8.29 1zc1A9 LYS 172 HA -0.08 0.23 1.10 -0.75 4.32 4.82 1zc1A9 LYS 172 HB2 -0.05 -0.08 -0.07 -0.04 1.87 1.63 1zc1A9 LYS 172 HB3 -0.07 -0.02 0.09 -0.04 1.79 1.74 1zc1A9 LYS 172 HG2 -0.04 0.14 -0.29 -0.04 1.46 1.23 1zc1A9 LYS 172 HG3 -0.03 0.14 -0.02 -0.04 1.46 1.51 1zc1A9 LYS 172 HD2 -0.01 -0.08 -0.05 -0.04 1.69 1.51 1zc1A9 LYS 172 HD3 -0.02 -0.09 -0.06 -0.04 1.68 1.47 1zc1A9 LYS 172 HE2 -0.00 0.18 0.00 -0.04 2.99 3.13 1zc1A9 LYS 172 HE3 0.00 -0.11 -0.01 -0.04 2.99 2.84 1zc1A9 ILE 173 H -0.07 0.37 0.22 -0.55 8.25 8.22 1zc1A9 ILE 173 HA -0.11 0.10 0.83 -0.75 4.18 4.24 1zc1A9 ILE 173 HB -0.06 0.06 0.13 -0.04 1.89 1.98 1zc1A9 ILE 173 HG12 -0.09 -0.07 -0.21 -0.04 1.49 1.08 1zc1A9 ILE 173 HG13 -0.12 -0.04 -0.18 -0.04 1.21 0.83 1zc1A9 ILE 173 HG23 -0.07 0.05 -0.16 -0.04 0.93 0.71 1zc1A9 ILE 173 HD13 -0.10 0.07 -0.04 -0.04 0.88 0.77 1zc1A9 LEU 174 H -0.07 0.48 0.20 -0.55 8.37 8.44 1zc1A9 LEU 174 HA -0.02 0.16 0.61 -0.75 4.35 4.35 1zc1A9 LEU 174 HB2 -0.03 -0.01 0.03 -0.04 1.64 1.58 1zc1A9 LEU 174 HB3 0.00 -0.02 0.02 -0.04 1.64 1.60 1zc1A9 LEU 174 HG -0.03 0.05 -0.09 -0.04 1.64 1.54 1zc1A9 LEU 174 HD13 -0.02 0.00 -0.10 -0.04 0.93 0.77 1zc1A9 LEU 174 HD23 -0.00 -0.01 -0.03 -0.04 0.89 0.81 1zc1A9 GLU 175 H 0.01 0.13 0.20 -0.55 8.60 8.39 1zc1A9 GLU 175 HA 0.02 0.20 0.81 -0.75 4.29 4.57 1zc1A9 GLU 175 HB2 0.03 0.08 -0.12 -0.04 2.09 2.04 1zc1A9 GLU 175 HB3 0.08 -0.06 0.02 -0.04 1.99 1.99 1zc1A9 GLU 175 HG2 0.04 -0.02 -0.07 -0.04 2.34 2.25 1zc1A9 GLU 175 HG3 0.08 -0.01 -0.26 -0.04 2.34 2.11 1zc1A9 VAL 176 H 0.04 0.28 0.18 -0.55 8.24 8.19 1zc1A9 VAL 176 HA 0.14 0.18 0.90 -0.75 4.13 4.60 1zc1A9 VAL 176 HB 0.01 0.16 0.11 -0.04 2.12 2.35 1zc1A9 VAL 176 HG13 -0.04 -0.08 -0.29 -0.04 0.97 0.51 1zc1A9 VAL 176 HG23 0.00 -0.02 -0.17 -0.04 0.95 0.73 1zc1A9 LYS 177 H 0.18 0.63 0.30 -0.55 8.42 8.98 1zc1A9 LYS 177 HA 0.05 0.25 0.92 -0.75 4.32 4.79 1zc1A9 LYS 177 HB2 0.06 0.01 0.06 -0.04 1.87 1.96 1zc1A9 LYS 177 HB3 0.12 -0.16 0.28 -0.04 1.79 1.98 1zc1A9 LYS 177 HG2 0.03 0.07 -0.17 -0.04 1.46 1.35 1zc1A9 LYS 177 HG3 0.02 0.05 0.03 -0.04 1.46 1.51 1zc1A9 LYS 177 HD2 0.02 -0.04 0.01 -0.04 1.69 1.63 1zc1A9 LYS 177 HD3 0.02 -0.00 -0.02 -0.04 1.68 1.64 1zc1A9 LYS 177 HE2 -0.01 0.00 -0.02 -0.04 2.99 2.93 1zc1A9 LYS 177 HE3 -0.01 0.04 -0.01 -0.04 2.99 2.97 1zc1A9 PRO 178 HA 0.02 0.08 0.64 -0.51 4.44 4.66 1zc1A9 PRO 178 HB2 0.00 -0.15 0.11 -0.04 2.28 2.20 1zc1A9 PRO 178 HB3 0.00 0.04 -0.09 -0.04 2.02 1.93 1zc1A9 PRO 178 HG2 0.01 0.18 0.02 -0.04 2.03 2.20 1zc1A9 PRO 178 HG3 0.01 0.03 0.01 -0.04 2.03 2.05 1zc1A9 PRO 178 HD2 0.02 0.08 0.21 -0.04 3.68 3.94 1zc1A9 PRO 178 HD3 0.03 0.53 0.38 -0.04 3.65 4.54 1zc1A9 GLU 179 H 0.01 0.16 0.05 -0.55 8.60 8.27 1zc1A9 GLU 179 HA 0.01 0.21 0.76 -0.75 4.29 4.52 1zc1A9 GLU 179 HB2 0.01 -0.04 0.03 -0.04 2.09 2.05 1zc1A9 GLU 179 HB3 0.01 0.02 0.15 -0.04 1.99 2.14 1zc1A9 GLU 179 HG2 0.01 0.02 -0.03 -0.04 2.34 2.31 1zc1A9 GLU 179 HG3 0.01 0.01 -0.16 -0.04 2.34 2.16 1zc1A9 SER 180 H 0.01 0.07 -0.07 -0.55 8.46 7.93 1zc1A9 SER 180 HA 0.01 0.25 0.86 -0.75 4.49 4.85 1zc1A9 SER 180 HB2 0.01 -0.01 0.10 -0.04 3.95 4.01 1zc1A9 SER 180 HB3 0.01 -0.05 0.14 -0.04 3.93 4.00 1zc1A9 SER 181 H 0.01 0.24 0.15 -0.55 8.46 8.31 1zc1A9 SER 181 HA 0.01 0.14 0.44 -0.75 4.49 4.32 1zc1A9 SER 181 HB2 -0.00 0.05 0.12 -0.04 3.95 4.07 1zc1A9 SER 181 HB3 -0.00 0.03 0.11 -0.04 3.93 4.03 1zc1A9 SER 182 H 0.01 -0.01 -0.45 -0.55 8.46 7.47 1zc1A9 SER 182 HA 0.03 0.11 0.33 -0.75 4.49 4.20 1zc1A9 SER 182 HB2 0.03 0.02 0.05 -0.04 3.95 4.01 1zc1A9 SER 182 HB3 0.02 -0.03 0.02 -0.04 3.93 3.89 1zc1A9 LYS 183 H 0.01 0.22 -0.43 -0.55 8.42 7.66 1zc1A9 LYS 183 HA -0.00 0.04 0.25 -0.75 4.32 3.86 1zc1A9 LYS 183 HB2 0.02 0.27 0.20 -0.04 1.87 2.32 1zc1A9 LYS 183 HB3 0.01 -0.11 0.24 -0.04 1.79 1.89 1zc1A9 LYS 183 HG2 0.01 0.33 -0.27 -0.04 1.46 1.49 1zc1A9 LYS 183 HG3 0.01 -0.03 -0.02 -0.04 1.46 1.38 1zc1A9 LYS 183 HD2 0.01 -0.04 0.07 -0.04 1.69 1.69 1zc1A9 LYS 183 HD3 0.01 -0.00 0.06 -0.04 1.68 1.70 1zc1A9 LYS 183 HE2 0.01 0.02 0.04 -0.04 2.99 3.02 1zc1A9 LYS 183 HE3 0.01 -0.01 0.03 -0.04 2.99 2.97 1zc1A9 SER 184 H -0.03 0.04 -0.27 -0.55 8.46 7.66 1zc1A9 SER 184 HA -0.15 0.10 0.96 -0.75 4.49 4.65 1zc1A9 SER 184 HB2 -0.72 0.03 -0.11 -0.04 3.95 3.10 1zc1A9 SER 184 HB3 -0.18 0.09 -0.19 -0.04 3.93 3.61 1zc1A9 ILE 185 H -0.14 0.49 0.26 -0.55 8.25 8.30 1zc1A9 ILE 185 HA -0.05 0.24 0.92 -0.75 4.18 4.54 1zc1A9 ILE 185 HB -0.03 -0.05 -0.05 -0.04 1.89 1.73 1zc1A9 ILE 185 HG12 -0.06 -0.05 0.04 -0.04 1.49 1.38 1zc1A9 ILE 185 HG13 -0.05 0.05 0.04 -0.04 1.21 1.22 1zc1A9 ILE 185 HG23 -0.02 -0.00 -0.23 -0.04 0.93 0.64 1zc1A9 ILE 185 HD13 -0.04 -0.02 -0.19 -0.04 0.88 0.59 1zc1A9 CYS 186 H -0.02 0.34 0.03 -0.55 8.50 8.30 1zc1A9 CYS 186 HA 0.00 0.04 1.05 -0.75 4.58 4.92 1zc1A9 CYS 186 HB2 0.00 -0.05 -0.06 -0.04 2.97 2.82 1zc1A9 CYS 186 HB3 -0.01 0.06 0.14 -0.04 2.97 3.13 1zc1A9 VAL 187 H 0.02 0.27 -0.01 -0.55 8.24 7.97 1zc1A9 VAL 187 HA 0.02 0.05 0.78 -0.75 4.13 4.23 1zc1A9 VAL 187 HB 0.00 -0.03 -0.29 -0.04 2.12 1.76 1zc1A9 VAL 187 HG13 0.01 0.02 -0.07 -0.04 0.97 0.88 1zc1A9 VAL 187 HG23 0.01 -0.02 -0.38 -0.04 0.95 0.51 1zc1A9 ILE 188 H 0.03 0.04 0.06 -0.55 8.25 7.84 1zc1A9 ILE 188 HA 0.05 0.43 0.77 -0.75 4.18 4.68 1zc1A9 ILE 188 HB 0.04 -0.21 0.21 -0.04 1.89 1.88 1zc1A9 ILE 188 HG12 0.07 0.18 0.02 -0.04 1.49 1.72 1zc1A9 ILE 188 HG13 0.05 0.01 -0.01 -0.04 1.21 1.23 1zc1A9 ILE 188 HG23 0.04 0.04 -0.08 -0.04 0.93 0.89 1zc1A9 ILE 188 HD13 0.06 -0.03 0.02 -0.04 0.88 0.88 1zc1A9 GLU 189 H 0.03 0.06 0.15 -0.55 8.60 8.30 1zc1A9 GLU 189 HA 0.02 0.21 0.70 -0.75 4.29 4.46 1zc1A9 GLU 189 HB2 0.02 0.00 0.06 -0.04 2.09 2.14 1zc1A9 GLU 189 HB3 0.02 -0.01 0.06 -0.04 1.99 2.02 1zc1A9 GLU 189 HG2 0.02 -0.00 0.05 -0.04 2.34 2.35 1zc1A9 GLU 189 HG3 0.01 0.02 0.10 -0.04 2.34 2.43 1zc1A9 THR 190 H 0.02 -0.11 -0.24 -0.55 8.28 7.41 1zc1A9 THR 190 HA 0.01 0.12 0.52 -0.75 4.39 4.29 1zc1A9 THR 190 HB 0.01 0.10 -0.10 -0.04 4.32 4.29 1zc1A9 THR 190 HG23 0.01 -0.00 0.06 -0.04 1.22 1.25 1zc1A9 ASP 191 H 0.01 0.12 0.09 -0.55 8.40 8.08 1zc1A9 ASP 191 HA 0.01 0.18 0.78 -0.75 4.63 4.84 1zc1A9 ASP 191 HB2 0.01 -0.03 0.14 -0.04 2.71 2.79 1zc1A9 ASP 191 HB3 0.01 0.02 -0.05 -0.04 2.70 2.63 1zc1A9 LEU 192 H 0.00 0.24 0.07 -0.55 8.37 8.14 1zc1A9 LEU 192 HA -0.00 0.25 0.85 -0.75 4.35 4.69 1zc1A9 LEU 192 HB2 -0.01 0.01 -0.28 -0.04 1.64 1.33 1zc1A9 LEU 192 HB3 -0.02 0.00 -0.14 -0.04 1.64 1.44 1zc1A9 LEU 192 HG -0.07 0.04 -0.37 -0.04 1.64 1.20 1zc1A9 LEU 192 HD13 -0.01 -0.04 -0.31 -0.04 0.93 0.53 1zc1A9 LEU 192 HD23 -0.04 -0.01 -0.24 -0.04 0.89 0.56 1zc1A9 VAL 193 H -0.02 0.28 -0.02 -0.55 8.24 7.94 1zc1A9 VAL 193 HA -0.02 0.08 0.72 -0.75 4.13 4.16 1zc1A9 VAL 193 HB 0.04 0.03 0.36 -0.04 2.12 2.51 1zc1A9 VAL 193 HG13 0.08 -0.02 -0.06 -0.04 0.97 0.93 1zc1A9 VAL 193 HG23 0.06 0.04 0.04 -0.04 0.95 1.05 1zc1A9 THR 194 H -0.05 0.18 0.21 -0.55 8.28 8.07 1zc1A9 THR 194 HA -0.30 0.51 1.09 -0.75 4.39 4.94 1zc1A9 THR 194 HB -0.11 -0.02 -0.03 -0.04 4.32 4.12 1zc1A9 THR 194 HG23 -0.08 0.00 -0.29 -0.04 1.22 0.81 1zc1A9 ASP 195 H -0.25 0.40 0.41 -0.55 8.40 8.41 1zc1A9 ASP 195 HA 0.13 0.14 0.95 -0.75 4.63 5.09 1zc1A9 ASP 195 HB2 0.05 0.01 -0.14 -0.04 2.71 2.59 1zc1A9 ASP 195 HB3 0.04 -0.05 0.05 -0.04 2.70 2.70 1zc1A9 PHE 196 H 0.34 0.12 0.18 -0.55 8.34 8.42 1zc1A9 PHE 196 HA -0.00 0.28 0.87 -0.75 4.62 5.02 1zc1A9 PHE 196 HB2 0.02 -0.05 0.13 -0.04 3.15 3.21 1zc1A9 PHE 196 HB3 0.03 0.09 -0.01 -0.04 3.06 3.12 1zc1A9 PHE 196 HD2 0.04 -0.02 -0.10 -0.04 7.28 7.16 1zc1A9 PHE 196 HE2 0.13 -0.00 -0.13 -0.04 7.38 7.34 1zc1A9 PHE 196 HZ 0.08 -0.02 -0.22 -0.04 7.32 7.12 1zc1A9 ALA 197 H 0.01 0.32 0.31 -0.55 8.40 8.49 1zc1A9 ALA 197 HA 0.07 0.16 0.91 -0.75 4.34 4.73 1zc1A9 ALA 197 HB3 0.02 0.01 0.02 -0.04 1.41 1.41 1zc1A9 PRO 198 HA 0.06 0.03 0.36 -0.51 4.44 4.38 1zc1A9 PRO 198 HB2 0.03 0.03 0.01 -0.04 2.28 2.32 1zc1A9 PRO 198 HB3 0.04 0.01 0.08 -0.04 2.02 2.12 1zc1A9 PRO 198 HG2 0.02 0.01 0.07 -0.04 2.03 2.10 1zc1A9 PRO 198 HG3 0.04 0.02 0.09 -0.04 2.03 2.14 1zc1A9 PRO 198 HD2 0.03 0.09 0.18 -0.04 3.68 3.94 1zc1A9 PRO 198 HD3 0.05 0.13 0.22 -0.04 3.65 4.00 1zc1A9 PRO 199 HA 0.04 0.15 0.34 -0.51 4.44 4.46 1zc1A9 PRO 199 HB2 0.06 0.02 -0.12 -0.04 2.28 2.19 1zc1A9 PRO 199 HB3 0.08 0.01 -0.07 -0.04 2.02 1.99 1zc1A9 PRO 199 HG2 0.06 0.03 -0.05 -0.04 2.03 2.03 1zc1A9 PRO 199 HG3 0.06 0.01 -0.00 -0.04 2.03 2.06 1zc1A9 PRO 199 HD2 0.06 0.06 0.18 -0.04 3.68 3.93 1zc1A9 PRO 199 HD3 0.07 0.16 0.14 -0.04 3.65 3.98 1zc1A9 VAL 200 H 0.03 0.08 0.15 -0.55 8.24 7.96 1zc1A9 VAL 200 HA 0.10 0.11 0.62 -0.75 4.13 4.21 1zc1A9 VAL 200 HB 0.02 -0.10 0.17 -0.04 2.12 2.17 1zc1A9 VAL 200 HG13 0.04 -0.02 0.02 -0.04 0.97 0.96 1zc1A9 VAL 200 HG23 0.02 0.06 0.05 -0.04 0.95 1.04 1zc1A9 GLY 201 H 0.12 0.10 0.15 -0.55 8.43 8.25 1zc1A9 GLY 201 HA2 -0.07 0.03 0.29 -0.51 4.01 3.75 1zc1A9 GLY 201 HA3 0.00 0.15 0.82 -0.51 4.01 4.47 1zc1A9 TYR 202 H -0.19 0.07 0.19 -0.55 8.29 7.81 1zc1A9 TYR 202 HA 0.01 0.18 0.85 -0.75 4.56 4.85 1zc1A9 TYR 202 HB2 0.01 0.05 -0.01 -0.04 3.06 3.07 1zc1A9 TYR 202 HB3 0.01 0.04 0.04 -0.04 2.98 3.02 1zc1A9 TYR 202 HD2 0.01 -0.03 -0.11 -0.04 7.15 6.97 1zc1A9 TYR 202 HE2 0.00 0.02 0.00 -0.04 6.85 6.83 1zc1A9 VAL 203 H 0.10 0.21 0.15 -0.55 8.24 8.15 1zc1A9 VAL 203 HA -0.04 0.16 0.94 -0.75 4.13 4.45 1zc1A9 VAL 203 HB 0.01 -0.00 0.09 -0.04 2.12 2.18 1zc1A9 VAL 203 HG13 -0.02 0.00 -0.13 -0.04 0.97 0.78 1zc1A9 VAL 203 HG23 -0.03 0.02 -0.23 -0.04 0.95 0.66 1zc1A9 GLU 204 H 0.04 0.18 0.09 -0.55 8.60 8.36 1zc1A9 GLU 204 HA 0.07 0.22 0.83 -0.75 4.29 4.65 1zc1A9 GLU 204 HB2 0.14 -0.00 -0.03 -0.04 2.09 2.16 1zc1A9 GLU 204 HB3 0.07 -0.03 0.09 -0.04 1.99 2.09 1zc1A9 GLU 204 HG2 0.05 0.04 -0.34 -0.04 2.34 2.05 1zc1A9 GLU 204 HG3 0.06 0.03 -0.02 -0.04 2.34 2.37 1zc1A9 PRO 205 HA -0.11 0.01 0.35 -0.51 4.44 4.18 1zc1A9 PRO 205 HB2 0.05 -0.00 0.14 -0.04 2.28 2.42 1zc1A9 PRO 205 HB3 -0.13 0.03 0.05 -0.04 2.02 1.92 1zc1A9 PRO 205 HG2 0.06 0.02 0.10 -0.04 2.03 2.16 1zc1A9 PRO 205 HG3 0.00 0.05 0.07 -0.04 2.03 2.11 1zc1A9 PRO 205 HD2 0.05 0.07 0.20 -0.04 3.68 3.96 1zc1A9 PRO 205 HD3 0.04 0.33 0.31 -0.04 3.65 4.28 1zc1A9 ASP 206 H -0.12 0.15 0.25 -0.55 8.40 8.13 1zc1A9 ASP 206 HA 0.01 0.12 0.82 -0.75 4.63 4.83 1zc1A9 ASP 206 HB2 -0.05 -0.03 0.17 -0.04 2.71 2.76 1zc1A9 ASP 206 HB3 -0.01 0.00 -0.05 -0.04 2.70 2.60 1zc1A9 TYR 207 H 0.17 0.20 0.13 -0.55 8.29 8.25 1zc1A9 TYR 207 HA 0.01 0.14 0.81 -0.75 4.56 4.76 1zc1A9 TYR 207 HB2 0.01 0.01 0.14 -0.04 3.06 3.17 1zc1A9 TYR 207 HB3 0.01 -0.01 -0.02 -0.04 2.98 2.92 1zc1A9 TYR 207 HD2 0.01 0.03 -0.02 -0.04 7.15 7.12 1zc1A9 TYR 207 HE2 0.01 0.01 -0.04 -0.04 6.85 6.79 1zc1A9 LYS 208 H 0.07 0.28 0.06 -0.55 8.42 8.27 1zc1A9 LYS 208 HA 0.06 0.19 0.48 -0.75 4.32 4.29 1zc1A9 LYS 208 HB2 0.03 0.08 -0.28 -0.04 1.87 1.67 1zc1A9 LYS 208 HB3 0.02 0.02 -0.05 -0.04 1.79 1.73 1zc1A9 LYS 208 HG2 0.02 -0.02 0.03 -0.04 1.46 1.45 1zc1A9 LYS 208 HG3 0.02 0.02 0.04 -0.04 1.46 1.51 1zc1A9 LYS 208 HD2 0.01 0.02 -0.03 -0.04 1.69 1.64 1zc1A9 LYS 208 HD3 0.01 -0.01 -0.02 -0.04 1.68 1.62 1zc1A9 LYS 208 HE2 0.01 -0.01 0.00 -0.04 2.99 2.95 1zc1A9 LYS 208 HE3 0.01 0.00 0.00 -0.04 2.99 2.97