============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 18 1.000 0.692 31.693 42.138 -99.200 -91.000 PHE 21 1.000 -7.308 35.483 39.461 -99.200 -91.000 TYR 37 0.840 -6.633 24.477 36.718 -99.200 -91.000 TYR 48 0.840 -8.815 26.815 40.891 -99.200 -91.000 PHE 50 1.000 -13.671 26.154 36.057 -99.200 -91.000 PHE 54 1.000 -21.271 33.351 29.102 -99.200 -91.000 HIS 63 0.900 -23.408 28.518 10.543 -99.200 -91.000 TYR 65 0.840 -18.006 24.103 21.489 -99.200 -91.000 PHE 76 1.000 -19.215 29.528 34.379 -99.200 -91.000 PHE 83 1.000 -15.315 20.160 41.864 -99.200 -91.000 HIS 92 0.900 -17.242 37.863 24.824 -99.200 -91.000 TYR 95 0.840 -27.789 38.961 26.428 -99.200 -91.000 PHE 112 1.000 -9.793 41.267 19.796 -99.200 -91.000 PHE 136 1.000 -6.080 47.992 21.091 -99.200 -91.000 PHE 165 1.000 8.928 42.825 18.750 -99.200 -91.000 TYR 167 0.840 1.967 44.019 9.719 -99.200 -91.000 PHE 176 1.000 3.270 41.756 34.474 -99.200 -91.000 PHE 189 1.000 2.703 36.619 32.066 -99.200 -91.000 HIS 193 0.900 -5.763 33.358 26.378 -99.200 -91.000 PHE 216 1.000 -7.215 34.238 32.462 -99.200 -91.000 HIS 220 0.900 -9.059 19.954 26.423 -99.200 -91.000 PHE 242 1.000 2.492 26.559 35.146 -99.200 -91.000 PHE 255 1.000 14.214 37.558 47.065 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1o60B1 GLN 2 HA 0.01 -0.11 0.17 -0.75 4.36 3.68 1o60B1 GLN 2 HB2 0.01 0.02 -0.10 -0.04 2.15 2.04 1o60B1 GLN 2 HB3 0.01 -0.08 0.02 -0.04 2.02 1.93 1o60B1 GLN 2 HG2 0.01 -0.08 0.02 -0.04 2.40 2.30 1o60B1 GLN 2 HG3 0.01 0.02 0.05 -0.04 2.39 2.43 1o60B1 GLN 2 HE21 0.01 -0.03 0.07 -0.04 6.97 6.97 1o60B1 GLN 2 HE22 0.01 0.14 0.09 -0.04 7.69 7.89 1o60B1 ASN 3 H 0.02 0.02 0.07 -0.55 8.53 8.09 1o60B1 ASN 3 HA 0.02 0.15 0.43 -0.75 4.76 4.60 1o60B1 ASN 3 HB2 0.02 -0.06 0.10 -0.04 2.88 2.89 1o60B1 ASN 3 HB3 0.02 0.02 0.04 -0.04 2.79 2.83 1o60B1 ASN 3 HD21 0.02 0.07 -0.08 -0.04 7.03 7.01 1o60B1 ASN 3 HD22 0.02 -0.03 -0.01 -0.04 7.74 7.68 1o60B1 LYS 4 H 0.02 0.74 0.37 -0.55 8.42 9.00 1o60B1 LYS 4 HA 0.01 0.03 0.67 -0.75 4.32 4.28 1o60B1 LYS 4 HB2 0.02 0.03 0.09 -0.04 1.87 1.97 1o60B1 LYS 4 HB3 0.02 -0.04 0.02 -0.04 1.79 1.74 1o60B1 LYS 4 HG2 0.01 -0.09 0.03 -0.04 1.46 1.37 1o60B1 LYS 4 HG3 0.01 0.19 0.04 -0.04 1.46 1.66 1o60B1 LYS 4 HD2 0.01 -0.09 -0.32 -0.04 1.69 1.25 1o60B1 LYS 4 HD3 0.01 -0.04 0.00 -0.04 1.68 1.61 1o60B1 LYS 4 HE2 0.01 -0.13 0.03 -0.04 2.99 2.85 1o60B1 LYS 4 HE3 0.01 0.30 0.02 -0.04 2.99 3.28 1o60B1 ILE 5 H 0.02 0.15 0.18 -0.55 8.25 8.05 1o60B1 ILE 5 HA 0.02 0.33 1.01 -0.75 4.18 4.79 1o60B1 ILE 5 HB 0.01 -0.06 0.11 -0.04 1.89 1.91 1o60B1 ILE 5 HG12 0.02 0.01 -0.18 -0.04 1.49 1.30 1o60B1 ILE 5 HG13 0.02 0.05 -0.28 -0.04 1.21 0.96 1o60B1 ILE 5 HG23 0.01 -0.02 -0.24 -0.04 0.93 0.65 1o60B1 ILE 5 HD13 0.01 -0.02 -0.06 -0.04 0.88 0.77 1o60B1 VAL 6 H 0.03 0.67 0.29 -0.55 8.24 8.68 1o60B1 VAL 6 HA 0.02 0.12 0.91 -0.75 4.13 4.43 1o60B1 VAL 6 HB 0.05 -0.00 0.06 -0.04 2.12 2.19 1o60B1 VAL 6 HG13 0.03 -0.01 -0.25 -0.04 0.97 0.70 1o60B1 VAL 6 HG23 0.02 0.04 -0.09 -0.04 0.95 0.88 1o60B1 LYS 7 H 0.02 0.15 0.13 -0.55 8.42 8.17 1o60B1 LYS 7 HA 0.01 0.37 0.97 -0.75 4.32 4.92 1o60B1 LYS 7 HB2 0.01 -0.07 0.12 -0.04 1.87 1.88 1o60B1 LYS 7 HB3 0.00 0.16 -0.03 -0.04 1.79 1.88 1o60B1 LYS 7 HG2 0.00 0.07 -0.15 -0.04 1.46 1.35 1o60B1 LYS 7 HG3 0.01 -0.06 -0.23 -0.04 1.46 1.14 1o60B1 LYS 7 HD2 0.00 -0.03 -0.03 -0.04 1.69 1.59 1o60B1 LYS 7 HD3 0.00 0.03 -0.05 -0.04 1.68 1.63 1o60B1 LYS 7 HE2 0.00 0.02 -0.12 -0.04 2.99 2.84 1o60B1 LYS 7 HE3 0.00 -0.03 -0.07 -0.04 2.99 2.86 1o60B1 ILE 8 H -0.00 0.68 0.04 -0.55 8.25 8.42 1o60B1 ILE 8 HA 0.00 0.17 0.76 -0.75 4.18 4.35 1o60B1 ILE 8 HB -0.03 -0.04 0.10 -0.04 1.89 1.87 1o60B1 ILE 8 HG12 0.06 0.04 -0.21 -0.04 1.49 1.33 1o60B1 ILE 8 HG13 0.04 0.02 -0.50 -0.04 1.21 0.74 1o60B1 ILE 8 HG23 -0.02 -0.01 -0.08 -0.04 0.93 0.79 1o60B1 ILE 8 HD13 0.10 -0.02 -0.23 -0.04 0.88 0.70 1o60B1 GLY 9 H -0.01 0.20 -0.09 -0.55 8.43 7.99 1o60B1 GLY 9 HA2 -0.01 0.05 0.34 -0.51 4.01 3.88 1o60B1 GLY 9 HA3 -0.01 0.03 0.40 -0.51 4.01 3.92 1o60B1 ASN 10 H -0.02 0.15 0.23 -0.55 8.53 8.35 1o60B1 ASN 10 HA -0.01 0.11 0.33 -0.75 4.76 4.44 1o60B1 ASN 10 HB2 -0.01 -0.01 0.15 -0.04 2.88 2.98 1o60B1 ASN 10 HB3 -0.01 -0.05 0.09 -0.04 2.79 2.79 1o60B1 ASN 10 HD21 -0.01 0.02 -0.02 -0.04 7.03 6.98 1o60B1 ASN 10 HD22 -0.01 -0.03 0.03 -0.04 7.74 7.69 1o60B1 ILE 11 H -0.02 0.53 -0.41 -0.55 8.25 7.80 1o60B1 ILE 11 HA -0.03 0.14 0.77 -0.75 4.18 4.31 1o60B1 ILE 11 HB -0.05 -0.00 0.06 -0.04 1.89 1.86 1o60B1 ILE 11 HG12 -0.07 0.02 -0.03 -0.04 1.49 1.38 1o60B1 ILE 11 HG13 -0.05 -0.09 -0.05 -0.04 1.21 0.99 1o60B1 ILE 11 HG23 -0.08 0.00 -0.29 -0.04 0.93 0.52 1o60B1 ILE 11 HD13 -0.12 -0.02 -0.03 -0.04 0.88 0.68 1o60B1 ASP 12 H -0.02 0.20 0.14 -0.55 8.40 8.18 1o60B1 ASP 12 HA 0.01 0.17 0.80 -0.75 4.63 4.86 1o60B1 ASP 12 HB2 -0.00 0.00 0.12 -0.04 2.71 2.79 1o60B1 ASP 12 HB3 0.01 0.01 -0.08 -0.04 2.70 2.59 1o60B1 VAL 13 H 0.03 0.68 0.24 -0.55 8.24 8.64 1o60B1 VAL 13 HA 0.06 0.26 0.93 -0.75 4.13 4.62 1o60B1 VAL 13 HB 0.09 -0.05 0.10 -0.04 2.12 2.22 1o60B1 VAL 13 HG13 0.19 -0.00 -0.17 -0.04 0.97 0.95 1o60B1 VAL 13 HG23 0.10 0.02 -0.24 -0.04 0.95 0.79 1o60B1 ALA 14 H 0.06 0.44 0.16 -0.55 8.40 8.51 1o60B1 ALA 14 HA 0.05 0.22 0.74 -0.75 4.34 4.60 1o60B1 ALA 14 HB3 0.03 0.00 -0.09 -0.04 1.41 1.31 1o60B1 ASN 15 H 0.04 0.26 0.12 -0.55 8.53 8.41 1o60B1 ASN 15 HA 0.04 0.00 0.21 -0.75 4.76 4.26 1o60B1 ASN 15 HB2 0.03 -0.01 0.02 -0.04 2.88 2.88 1o60B1 ASN 15 HB3 0.02 0.15 -0.01 -0.04 2.79 2.92 1o60B1 ASN 15 HD21 0.04 0.38 -0.08 -0.04 7.03 7.34 1o60B1 ASN 15 HD22 0.03 -0.01 -0.05 -0.04 7.74 7.67 1o60B1 ASP 16 H 0.03 -0.02 -0.36 -0.55 8.40 7.50 1o60B1 ASP 16 HA 0.02 0.27 0.76 -0.75 4.63 4.93 1o60B1 ASP 16 HB2 0.02 0.05 0.15 -0.04 2.71 2.88 1o60B1 ASP 16 HB3 0.02 -0.01 -0.03 -0.04 2.70 2.64 1o60B1 LYS 17 H 0.04 0.37 -0.31 -0.55 8.42 7.96 1o60B1 LYS 17 HA 0.02 0.13 0.74 -0.75 4.32 4.45 1o60B1 LYS 17 HB2 0.03 -0.04 0.00 -0.04 1.87 1.83 1o60B1 LYS 17 HB3 0.01 0.13 0.03 -0.04 1.79 1.92 1o60B1 LYS 17 HG2 0.01 0.05 -0.16 -0.04 1.46 1.32 1o60B1 LYS 17 HG3 0.02 -0.12 -0.21 -0.04 1.46 1.10 1o60B1 LYS 17 HD2 0.01 -0.01 -0.21 -0.04 1.69 1.45 1o60B1 LYS 17 HD3 0.01 0.04 -0.03 -0.04 1.68 1.65 1o60B1 LYS 17 HE2 0.01 -0.02 -0.15 -0.04 2.99 2.79 1o60B1 LYS 17 HE3 0.01 -0.04 -0.08 -0.04 2.99 2.84 1o60B1 PRO 18 HA 0.07 -0.02 0.37 -0.51 4.44 4.35 1o60B1 PRO 18 HB2 -0.04 0.03 0.09 -0.04 2.28 2.33 1o60B1 PRO 18 HB3 -0.00 0.03 0.13 -0.04 2.02 2.15 1o60B1 PRO 18 HG2 -0.01 -0.00 0.11 -0.04 2.03 2.09 1o60B1 PRO 18 HG3 0.00 0.04 0.10 -0.04 2.03 2.13 1o60B1 PRO 18 HD2 -0.00 0.07 0.19 -0.04 3.68 3.90 1o60B1 PRO 18 HD3 0.01 0.11 0.22 -0.04 3.65 3.95 1o60B1 PHE 19 H 0.31 -0.02 0.16 -0.55 8.34 8.23 1o60B1 PHE 19 HA 0.04 0.27 0.33 -0.75 4.62 4.51 1o60B1 PHE 19 HB2 0.06 -0.09 -0.16 -0.04 3.15 2.91 1o60B1 PHE 19 HB3 0.02 0.00 0.08 -0.04 3.06 3.12 1o60B1 PHE 19 HD2 0.06 -0.03 -0.10 -0.04 7.28 7.16 1o60B1 PHE 19 HE2 0.06 0.01 -0.07 -0.04 7.38 7.35 1o60B1 PHE 19 HZ 0.06 0.01 -0.05 -0.04 7.32 7.30 1o60B1 VAL 20 H 0.15 0.52 0.43 -0.55 8.24 8.79 1o60B1 VAL 20 HA -0.34 0.24 0.84 -0.75 4.13 4.11 1o60B1 VAL 20 HB 0.01 -0.06 0.06 -0.04 2.12 2.10 1o60B1 VAL 20 HG13 -0.66 -0.04 -0.43 -0.04 0.97 -0.21 1o60B1 VAL 20 HG23 -0.07 0.03 -0.05 -0.04 0.95 0.82 1o60B1 LEU 21 H -0.27 0.78 0.20 -0.55 8.37 8.53 1o60B1 LEU 21 HA 0.25 0.11 0.86 -0.75 4.35 4.82 1o60B1 LEU 21 HB2 0.12 0.03 0.00 -0.04 1.64 1.76 1o60B1 LEU 21 HB3 0.10 0.08 0.20 -0.04 1.64 1.97 1o60B1 LEU 21 HG 0.24 -0.07 -0.29 -0.04 1.64 1.48 1o60B1 LEU 21 HD13 0.35 0.02 -0.14 -0.04 0.93 1.12 1o60B1 LEU 21 HD23 0.28 -0.01 -0.07 -0.04 0.89 1.05 1o60B1 PHE 22 H 0.37 0.72 0.29 -0.55 8.34 9.16 1o60B1 PHE 22 HA -0.21 0.21 0.80 -0.75 4.62 4.67 1o60B1 PHE 22 HB2 -0.03 -0.09 0.14 -0.04 3.15 3.13 1o60B1 PHE 22 HB3 -0.21 -0.04 -0.06 -0.04 3.06 2.70 1o60B1 PHE 22 HD2 0.02 0.05 -0.18 -0.04 7.28 7.13 1o60B1 PHE 22 HE2 0.03 0.03 -0.23 -0.04 7.38 7.17 1o60B1 PHE 22 HZ 0.02 0.05 -0.25 -0.04 7.32 7.10 1o60B1 GLY 23 H -0.24 0.61 0.16 -0.55 8.43 8.41 1o60B1 GLY 23 HA2 -0.28 0.27 1.24 -0.51 4.01 4.72 1o60B1 GLY 23 HA3 -0.24 -0.03 0.21 -0.51 4.01 3.45 1o60B1 GLY 24 H -0.33 0.57 0.31 -0.55 8.43 8.43 1o60B1 GLY 24 HA2 -0.54 0.05 0.29 -0.51 4.01 3.30 1o60B1 GLY 24 HA3 -0.77 0.37 0.52 -0.51 4.01 3.62 1o60B1 ASN 26 HA 0.09 -0.04 0.19 -0.75 4.76 4.24 1o60B1 ASN 26 HB2 0.09 0.03 0.04 -0.04 2.88 2.99 1o60B1 ASN 26 HB3 0.10 -0.08 0.07 -0.04 2.79 2.84 1o60B1 ASN 26 HD21 0.13 -0.01 -0.08 -0.04 7.03 7.03 1o60B1 ASN 26 HD22 0.17 0.02 -0.06 -0.04 7.74 7.83 1o60B1 VAL 27 H 0.12 0.26 0.19 -0.55 8.24 8.26 1o60B1 VAL 27 HA 0.08 0.12 0.92 -0.75 4.13 4.50 1o60B1 VAL 27 HB 0.07 0.00 -0.33 -0.04 2.12 1.82 1o60B1 VAL 27 HG13 0.25 -0.02 -0.23 -0.04 0.97 0.93 1o60B1 VAL 27 HG23 -0.00 -0.01 -0.28 -0.04 0.95 0.61 1o60B1 LEU 28 H 0.10 0.55 0.22 -0.55 8.37 8.68 1o60B1 LEU 28 HA 0.14 0.11 0.50 -0.75 4.35 4.35 1o60B1 LEU 28 HB2 0.04 -0.04 0.26 -0.04 1.64 1.86 1o60B1 LEU 28 HB3 0.03 0.01 0.07 -0.04 1.64 1.71 1o60B1 LEU 28 HG 0.09 0.08 -0.09 -0.04 1.64 1.68 1o60B1 LEU 28 HD13 -0.56 -0.02 -0.01 -0.04 0.93 0.30 1o60B1 LEU 28 HD23 0.25 0.02 -0.08 -0.04 0.89 1.04 1o60B1 GLU 29 H 0.14 0.40 0.27 -0.55 8.60 8.87 1o60B1 GLU 29 HA 0.25 -0.04 0.24 -0.75 4.29 3.99 1o60B1 GLU 29 HB2 0.08 0.05 0.14 -0.04 2.09 2.32 1o60B1 GLU 29 HB3 0.02 -0.02 -0.05 -0.04 1.99 1.90 1o60B1 GLU 29 HG2 0.06 -0.05 0.03 -0.04 2.34 2.34 1o60B1 GLU 29 HG3 0.19 0.12 0.07 -0.04 2.34 2.67 1o60B1 SER 30 H 0.06 0.34 -0.03 -0.55 8.46 8.29 1o60B1 SER 30 HA 0.05 0.13 0.43 -0.75 4.49 4.34 1o60B1 SER 30 HB2 0.02 -0.06 0.16 -0.04 3.95 4.03 1o60B1 SER 30 HB3 0.02 0.10 -0.16 -0.04 3.93 3.85 1o60B1 ARG 31 H 0.02 0.12 0.13 -0.55 8.46 8.18 1o60B1 ARG 31 HA 0.02 0.10 0.37 -0.75 4.34 4.08 1o60B1 ARG 31 HB2 0.01 -0.01 0.12 -0.04 1.90 1.98 1o60B1 ARG 31 HB3 0.01 -0.05 0.07 -0.04 1.80 1.79 1o60B1 ARG 31 HG2 0.01 0.05 -0.00 -0.04 1.67 1.69 1o60B1 ARG 31 HG3 0.00 0.00 0.01 -0.04 1.67 1.64 1o60B1 ARG 31 HD2 -0.00 0.03 -0.05 -0.04 3.22 3.16 1o60B1 ARG 31 HD3 0.00 -0.03 -0.03 -0.04 3.22 3.12 1o60B1 ASP 32 H 0.02 -0.02 -0.11 -0.55 8.40 7.74 1o60B1 ASP 32 HA 0.02 0.12 0.22 -0.75 4.63 4.24 1o60B1 ASP 32 HB2 0.01 -0.03 0.07 -0.04 2.71 2.72 1o60B1 ASP 32 HB3 0.01 0.04 0.10 -0.04 2.70 2.81 1o60B1 ALA 34 HA 0.16 -0.11 0.20 -0.75 4.34 3.83 1o60B1 ALA 34 HB3 0.07 0.02 0.09 -0.04 1.41 1.55 1o60B1 GLN 36 HA 0.05 -0.05 0.37 -0.75 4.36 3.97 1o60B1 GLN 36 HB2 0.02 0.02 0.10 -0.04 2.15 2.24 1o60B1 GLN 36 HB3 0.01 0.01 -0.03 -0.04 2.02 1.96 1o60B1 GLN 36 HG2 -0.01 -0.02 -0.53 -0.04 2.40 1.80 1o60B1 GLN 36 HG3 0.00 -0.03 -0.09 -0.04 2.39 2.23 1o60B1 GLN 36 HE21 -0.01 -0.01 -0.02 -0.04 6.97 6.88 1o60B1 GLN 36 HE22 -0.02 -0.00 -0.05 -0.04 7.69 7.58 1o60B1 VAL 37 H 0.05 0.25 -0.53 -0.55 8.24 7.46 1o60B1 VAL 37 HA 0.07 -0.00 0.60 -0.75 4.13 4.04 1o60B1 VAL 37 HB 0.22 0.10 0.09 -0.04 2.12 2.48 1o60B1 VAL 37 HG13 0.34 0.00 -0.12 -0.04 0.97 1.15 1o60B1 VAL 37 HG23 0.02 -0.01 -0.02 -0.04 0.95 0.89 1o60B1 CYS 38 H 0.04 0.74 0.22 -0.55 8.50 8.95 1o60B1 CYS 38 HA 0.18 0.04 0.40 -0.75 4.58 4.45 1o60B1 CYS 38 HB2 -0.57 0.09 0.16 -0.04 2.97 2.61 1o60B1 CYS 38 HB3 -0.53 0.01 0.09 -0.04 2.97 2.50 1o60B1 GLU 39 H -0.20 0.19 -0.24 -0.55 8.60 7.80 1o60B1 GLU 39 HA -0.41 0.05 0.26 -0.75 4.29 3.43 1o60B1 GLU 39 HB2 0.20 0.03 0.07 -0.04 2.09 2.34 1o60B1 GLU 39 HB3 0.02 0.12 0.12 -0.04 1.99 2.21 1o60B1 GLU 39 HG2 0.04 -0.02 -0.16 -0.04 2.34 2.16 1o60B1 GLU 39 HG3 0.17 -0.00 0.03 -0.04 2.34 2.50 1o60B1 ALA 40 H -0.04 0.44 -0.26 -0.55 8.40 8.00 1o60B1 ALA 40 HA -0.08 -0.02 0.37 -0.75 4.34 3.86 1o60B1 ALA 40 HB3 -0.10 0.03 0.13 -0.04 1.41 1.43 1o60B1 TYR 41 H 0.06 0.51 -0.14 -0.55 8.29 8.17 1o60B1 TYR 41 HA -0.26 -0.01 0.38 -0.75 4.56 3.91 1o60B1 TYR 41 HB2 -0.19 0.13 0.11 -0.04 3.06 3.07 1o60B1 TYR 41 HB3 -1.21 0.01 -0.11 -0.04 2.98 1.63 1o60B1 TYR 41 HD2 -0.11 0.15 -0.08 -0.04 7.15 7.07 1o60B1 TYR 41 HE2 -0.01 0.01 -0.10 -0.04 6.85 6.71 1o60B1 VAL 42 H -0.17 0.64 -0.05 -0.55 8.24 8.11 1o60B1 VAL 42 HA -0.18 0.05 0.49 -0.75 4.13 3.74 1o60B1 VAL 42 HB -0.12 0.02 0.10 -0.04 2.12 2.07 1o60B1 VAL 42 HG13 0.06 0.00 -0.07 -0.04 0.97 0.92 1o60B1 VAL 42 HG23 -0.07 0.05 -0.01 -0.04 0.95 0.88 1o60B1 LYS 43 H -0.08 0.67 -0.10 -0.55 8.42 8.36 1o60B1 LYS 43 HA -0.02 0.01 0.40 -0.75 4.32 3.95 1o60B1 LYS 43 HB2 -0.06 0.13 0.20 -0.04 1.87 2.11 1o60B1 LYS 43 HB3 -0.03 -0.07 0.01 -0.04 1.79 1.66 1o60B1 LYS 43 HG2 0.01 0.04 0.07 -0.04 1.46 1.54 1o60B1 LYS 43 HG3 -0.01 -0.07 -0.02 -0.04 1.46 1.32 1o60B1 LYS 43 HD2 -0.00 -0.04 0.01 -0.04 1.69 1.61 1o60B1 LYS 43 HD3 0.00 0.00 0.04 -0.04 1.68 1.69 1o60B1 LYS 43 HE2 0.02 -0.01 -0.00 -0.04 2.99 2.96 1o60B1 LYS 43 HE3 0.05 0.03 -0.00 -0.04 2.99 3.02 1o60B1 VAL 44 H -0.11 0.53 -0.09 -0.55 8.24 8.02 1o60B1 VAL 44 HA -0.05 -0.02 0.37 -0.75 4.13 3.67 1o60B1 VAL 44 HB -0.14 0.10 0.11 -0.04 2.12 2.15 1o60B1 VAL 44 HG13 -0.04 0.00 -0.25 -0.04 0.97 0.65 1o60B1 VAL 44 HG23 -0.10 -0.01 -0.01 -0.04 0.95 0.79 1o60B1 THR 45 H -0.15 0.67 -0.01 -0.55 8.28 8.25 1o60B1 THR 45 HA -0.05 0.00 0.60 -0.75 4.39 4.19 1o60B1 THR 45 HB -0.05 0.32 0.06 -0.04 4.32 4.61 1o60B1 THR 45 HG23 -0.12 -0.02 0.01 -0.04 1.22 1.05 1o60B1 GLU 46 H -0.05 0.69 -0.15 -0.55 8.60 8.54 1o60B1 GLU 46 HA -0.01 0.03 0.51 -0.75 4.29 4.06 1o60B1 GLU 46 HB2 -0.01 0.09 0.18 -0.04 2.09 2.31 1o60B1 GLU 46 HB3 -0.00 -0.09 -0.01 -0.04 1.99 1.85 1o60B1 GLU 46 HG2 -0.00 0.22 0.11 -0.04 2.34 2.63 1o60B1 GLU 46 HG3 0.02 -0.10 -0.01 -0.04 2.34 2.21 1o60B1 LYS 47 H -0.02 0.47 -0.09 -0.55 8.42 8.21 1o60B1 LYS 47 HA -0.01 -0.01 0.39 -0.75 4.32 3.94 1o60B1 LYS 47 HB2 -0.02 -0.02 0.15 -0.04 1.87 1.95 1o60B1 LYS 47 HB3 -0.02 0.09 0.21 -0.04 1.79 2.03 1o60B1 LYS 47 HG2 -0.01 0.04 -0.12 -0.04 1.46 1.33 1o60B1 LYS 47 HG3 -0.01 -0.06 0.05 -0.04 1.46 1.40 1o60B1 LYS 47 HD2 -0.01 -0.04 0.00 -0.04 1.69 1.60 1o60B1 LYS 47 HD3 -0.01 0.01 -0.01 -0.04 1.68 1.62 1o60B1 LYS 47 HE2 -0.01 0.03 -0.04 -0.04 2.99 2.93 1o60B1 LYS 47 HE3 -0.01 -0.03 -0.01 -0.04 2.99 2.90 1o60B1 LEU 48 H -0.02 0.47 -0.13 -0.55 8.37 8.14 1o60B1 LEU 48 HA -0.01 0.05 0.38 -0.75 4.35 4.02 1o60B1 LEU 48 HB2 -0.00 0.03 0.00 -0.04 1.64 1.63 1o60B1 LEU 48 HB3 0.01 0.00 0.01 -0.04 1.64 1.62 1o60B1 LEU 48 HG -0.01 0.08 0.05 -0.04 1.64 1.72 1o60B1 LEU 48 HD13 0.02 -0.00 -0.14 -0.04 0.93 0.77 1o60B1 LEU 48 HD23 0.00 -0.02 -0.09 -0.04 0.89 0.74 1o60B1 GLY 49 H -0.02 0.37 -0.29 -0.55 8.43 7.94 1o60B1 GLY 49 HA2 -0.02 0.02 0.31 -0.51 4.01 3.81 1o60B1 GLY 49 HA3 -0.02 0.01 0.51 -0.51 4.01 3.99 1o60B1 VAL 50 H -0.05 0.40 0.15 -0.55 8.24 8.18 1o60B1 VAL 50 HA -0.15 0.24 0.83 -0.75 4.13 4.29 1o60B1 VAL 50 HB -0.08 -0.14 0.12 -0.04 2.12 1.97 1o60B1 VAL 50 HG13 -0.46 0.06 -0.05 -0.04 0.97 0.49 1o60B1 VAL 50 HG23 -0.03 0.01 -0.16 -0.04 0.95 0.72 1o60B1 PRO 51 HA -0.07 0.01 0.50 -0.51 4.44 4.36 1o60B1 PRO 51 HB2 -0.18 -0.04 0.04 -0.04 2.28 2.05 1o60B1 PRO 51 HB3 -0.11 -0.03 0.08 -0.04 2.02 1.93 1o60B1 PRO 51 HG2 -0.11 0.16 0.02 -0.04 2.03 2.06 1o60B1 PRO 51 HG3 -0.09 0.00 0.05 -0.04 2.03 1.96 1o60B1 PRO 51 HD2 -0.30 0.39 0.26 -0.04 3.68 3.99 1o60B1 PRO 51 HD3 -0.15 0.21 0.21 -0.04 3.65 3.89 1o60B1 TYR 52 H -0.03 0.17 0.21 -0.55 8.29 8.09 1o60B1 TYR 52 HA -0.24 0.30 1.05 -0.75 4.56 4.92 1o60B1 TYR 52 HB2 -0.08 0.10 -0.15 -0.04 3.06 2.90 1o60B1 TYR 52 HB3 -0.08 -0.04 0.06 -0.04 2.98 2.88 1o60B1 TYR 52 HD2 -0.08 0.06 -0.02 -0.04 7.15 7.07 1o60B1 TYR 52 HE2 -0.29 -0.07 -0.03 -0.04 6.85 6.42 1o60B1 VAL 53 H -0.65 0.71 0.34 -0.55 8.24 8.09 1o60B1 VAL 53 HA -0.47 0.15 0.85 -0.75 4.13 3.91 1o60B1 VAL 53 HB -0.52 -0.07 0.04 -0.04 2.12 1.53 1o60B1 VAL 53 HG13 -0.09 -0.02 -0.44 -0.04 0.97 0.38 1o60B1 VAL 53 HG23 -0.40 0.00 -0.29 -0.04 0.95 0.22 1o60B1 PHE 54 H -0.38 0.61 0.24 -0.55 8.34 8.26 1o60B1 PHE 54 HA -0.53 0.36 0.82 -0.75 4.62 4.51 1o60B1 PHE 54 HB2 -0.17 -0.02 0.10 -0.04 3.15 3.01 1o60B1 PHE 54 HB3 -0.19 0.05 0.12 -0.04 3.06 3.00 1o60B1 PHE 54 HD2 -0.01 -0.01 -0.11 -0.04 7.28 7.11 1o60B1 PHE 54 HE2 0.19 -0.07 -0.13 -0.04 7.38 7.32 1o60B1 PHE 54 HZ 0.10 -0.05 -0.06 -0.04 7.32 7.27 1o60B1 LYS 55 H -0.97 0.36 0.04 -0.55 8.42 7.30 1o60B1 LYS 55 HA -0.32 0.36 0.90 -0.75 4.32 4.51 1o60B1 LYS 55 HB2 -0.34 0.02 -0.31 -0.04 1.87 1.20 1o60B1 LYS 55 HB3 -0.53 0.00 -0.42 -0.04 1.79 0.80 1o60B1 LYS 55 HG2 -0.99 -0.01 -0.29 -0.04 1.46 0.14 1o60B1 LYS 55 HG3 -0.47 -0.09 -0.32 -0.04 1.46 0.54 1o60B1 LYS 55 HD2 -0.12 0.11 -0.25 -0.04 1.69 1.39 1o60B1 LYS 55 HD3 0.03 -0.05 -0.27 -0.04 1.68 1.35 1o60B1 LYS 55 HE2 0.02 -0.04 -0.25 -0.04 2.99 2.68 1o60B1 LYS 55 HE3 -0.11 -0.01 -0.39 -0.04 2.99 2.44 1o60B1 ALA 56 H -0.05 0.57 0.28 -0.55 8.40 8.65 1o60B1 ALA 56 HA -0.05 0.10 0.34 -0.75 4.34 3.97 1o60B1 ALA 56 HB3 0.24 0.01 -0.11 -0.04 1.41 1.50 1o60B1 SER 57 H 0.08 0.47 0.21 -0.55 8.46 8.68 1o60B1 SER 57 HA 0.06 0.06 0.93 -0.75 4.49 4.78 1o60B1 SER 57 HB2 0.01 0.08 0.14 -0.04 3.95 4.14 1o60B1 SER 57 HB3 -0.09 -0.01 0.03 -0.04 3.93 3.82 1o60B1 PHE 58 H -0.44 0.18 0.24 -0.55 8.34 7.77 1o60B1 PHE 58 HA -0.03 0.16 0.87 -0.75 4.62 4.86 1o60B1 PHE 58 HB2 -0.04 0.06 0.15 -0.04 3.15 3.28 1o60B1 PHE 58 HB3 -0.07 0.06 0.01 -0.04 3.06 3.02 1o60B1 PHE 58 HD2 0.17 -0.07 -0.09 -0.04 7.28 7.25 1o60B1 PHE 58 HE2 0.07 0.02 -0.02 -0.04 7.38 7.42 1o60B1 PHE 58 HZ 0.02 -0.09 0.08 -0.04 7.32 7.28 1o60B1 ASP 59 H -0.48 0.12 0.12 -0.55 8.40 7.62 1o60B1 ASP 59 HA -0.13 0.44 0.88 -0.75 4.63 5.07 1o60B1 ASP 59 HB2 0.06 -0.03 -0.20 -0.04 2.71 2.51 1o60B1 ASP 59 HB3 -0.29 -0.07 -0.02 -0.04 2.70 2.27 1o60B1 LYS 60 H -0.18 0.69 0.20 -0.55 8.42 8.58 1o60B1 LYS 60 HA -0.17 0.09 0.76 -0.75 4.32 4.25 1o60B1 LYS 60 HB2 -0.13 0.03 0.26 -0.04 1.87 1.99 1o60B1 LYS 60 HB3 -0.08 -0.04 0.02 -0.04 1.79 1.65 1o60B1 LYS 60 HG2 -0.08 -0.02 -0.29 -0.04 1.46 1.02 1o60B1 LYS 60 HG3 -0.05 0.02 -0.14 -0.04 1.46 1.25 1o60B1 LYS 60 HD2 0.01 0.02 -0.14 -0.04 1.69 1.54 1o60B1 LYS 60 HD3 -0.04 -0.02 -0.07 -0.04 1.68 1.51 1o60B1 LYS 60 HE2 -0.06 -0.06 0.03 -0.04 2.99 2.85 1o60B1 LYS 60 HE3 -0.05 -0.01 -0.19 -0.04 2.99 2.70 1o60B1 ALA 61 H -0.54 0.21 -0.02 -0.55 8.40 7.50 1o60B1 ALA 61 HA -0.21 0.15 0.55 -0.75 4.34 4.08 1o60B1 ALA 61 HB3 -0.59 0.01 0.01 -0.04 1.41 0.79 1o60B1 ASN 62 H -0.12 0.04 -0.25 -0.55 8.53 7.65 1o60B1 ASN 62 HA 0.01 0.25 0.85 -0.75 4.76 5.12 1o60B1 ASN 62 HB2 0.15 0.07 0.14 -0.04 2.88 3.20 1o60B1 ASN 62 HB3 0.14 -0.02 -0.03 -0.04 2.79 2.84 1o60B1 ASN 62 HD21 -0.21 0.00 -0.01 -0.04 7.03 6.77 1o60B1 ASN 62 HD22 -0.03 -0.02 -0.01 -0.04 7.74 7.64 1o60B1 ARG 63 H -0.04 0.19 -0.44 -0.55 8.46 7.61 1o60B1 ARG 63 HA -0.01 0.03 0.21 -0.75 4.34 3.82 1o60B1 ARG 63 HB2 -0.04 0.05 -0.04 -0.04 1.90 1.83 1o60B1 ARG 63 HB3 -0.01 -0.09 0.03 -0.04 1.80 1.69 1o60B1 ARG 63 HG2 -0.07 0.12 0.03 -0.04 1.67 1.72 1o60B1 ARG 63 HG3 -0.03 0.16 -0.15 -0.04 1.67 1.62 1o60B1 ARG 63 HD2 -0.03 -0.11 0.01 -0.04 3.22 3.04 1o60B1 ARG 63 HD3 0.00 0.45 0.06 -0.04 3.22 3.70 1o60B1 SER 64 H 0.02 0.09 0.14 -0.55 8.46 8.16 1o60B1 SER 64 HA 0.02 0.15 0.54 -0.75 4.49 4.45 1o60B1 SER 64 HB2 0.03 -0.01 0.04 -0.04 3.95 3.96 1o60B1 SER 64 HB3 0.03 0.04 0.11 -0.04 3.93 4.06 1o60B1 SER 65 H 0.02 0.15 0.09 -0.55 8.46 8.17 1o60B1 SER 65 HA 0.02 0.24 0.74 -0.75 4.49 4.73 1o60B1 SER 65 HB2 0.06 -0.04 0.11 -0.04 3.95 4.04 1o60B1 SER 65 HB3 0.04 0.11 -0.12 -0.04 3.93 3.92 1o60B1 ILE 66 H 0.02 0.16 0.12 -0.55 8.25 7.99 1o60B1 ILE 66 HA -0.07 0.16 0.35 -0.75 4.18 3.86 1o60B1 ILE 66 HB -0.26 0.05 0.03 -0.04 1.89 1.66 1o60B1 ILE 66 HG12 0.04 -0.03 0.12 -0.04 1.49 1.57 1o60B1 ILE 66 HG13 0.06 -0.03 0.00 -0.04 1.21 1.19 1o60B1 ILE 66 HG23 -0.05 0.01 0.01 -0.04 0.93 0.87 1o60B1 ILE 66 HD13 0.02 0.01 -0.01 -0.04 0.88 0.87 1o60B1 HIS 67 H 0.11 -0.05 -0.19 -0.55 8.41 7.72 1o60B1 HIS 67 HA 0.02 0.27 0.84 -0.75 4.63 5.00 1o60B1 HIS 67 HB2 0.02 -0.05 0.02 -0.04 3.26 3.21 1o60B1 HIS 67 HB3 0.02 0.02 0.06 -0.04 3.20 3.26 1o60B1 HIS 67 HD2 0.02 0.03 0.00 -0.04 6.97 6.97 1o60B1 HIS 67 HE1 0.01 -0.00 -0.04 -0.04 7.75 7.67 1o60B1 SER 68 H 0.06 -0.02 -0.25 -0.55 8.46 7.72 1o60B1 SER 68 HA 0.10 0.06 0.43 -0.75 4.49 4.32 1o60B1 SER 68 HB2 0.07 0.04 0.14 -0.04 3.95 4.16 1o60B1 SER 68 HB3 0.06 -0.10 0.09 -0.04 3.93 3.94 1o60B1 TYR 69 H 0.19 0.08 0.15 -0.55 8.29 8.16 1o60B1 TYR 69 HA 0.02 0.05 0.38 -0.75 4.56 4.26 1o60B1 TYR 69 HB2 0.03 0.04 0.14 -0.04 3.06 3.22 1o60B1 TYR 69 HB3 0.02 0.04 0.02 -0.04 2.98 3.03 1o60B1 TYR 69 HD2 0.03 0.04 -0.11 -0.04 7.15 7.06 1o60B1 TYR 69 HE2 0.04 0.05 -0.11 -0.04 6.85 6.77 1o60B1 ARG 70 H -0.47 0.14 0.21 -0.55 8.46 7.79 1o60B1 ARG 70 HA -0.22 0.16 0.87 -0.75 4.34 4.40 1o60B1 ARG 70 HB2 -0.15 -0.05 0.23 -0.04 1.90 1.89 1o60B1 ARG 70 HB3 -0.12 0.16 -0.06 -0.04 1.80 1.74 1o60B1 ARG 70 HG2 -0.11 0.06 0.02 -0.04 1.67 1.60 1o60B1 ARG 70 HG3 -0.17 0.08 -0.13 -0.04 1.67 1.41 1o60B1 ARG 70 HD2 -0.06 -0.01 -0.03 -0.04 3.22 3.09 1o60B1 ARG 70 HD3 -0.08 -0.13 -0.03 -0.04 3.22 2.94 1o60B1 GLY 71 H -1.81 0.01 0.04 -0.55 8.43 6.13 1o60B1 GLY 71 HA2 -0.38 0.05 0.23 -0.51 4.01 3.40 1o60B1 GLY 71 HA3 -0.21 0.22 0.72 -0.51 4.01 4.23 1o60B1 PRO 72 HA 0.05 0.06 0.42 -0.51 4.44 4.46 1o60B1 PRO 72 HB2 0.02 -0.11 0.02 -0.04 2.28 2.18 1o60B1 PRO 72 HB3 0.06 0.04 0.08 -0.04 2.02 2.17 1o60B1 PRO 72 HG2 0.05 0.04 0.18 -0.04 2.03 2.26 1o60B1 PRO 72 HG3 0.03 0.08 0.11 -0.04 2.03 2.21 1o60B1 PRO 72 HD2 0.02 0.09 0.25 -0.04 3.68 4.01 1o60B1 PRO 72 HD3 0.10 0.29 0.15 -0.04 3.65 4.15 1o60B1 GLY 73 H 0.08 0.56 -0.13 -0.55 8.43 8.39 1o60B1 GLY 73 HA2 0.17 0.04 0.15 -0.51 4.01 3.86 1o60B1 GLY 73 HA3 0.07 0.17 0.55 -0.51 4.01 4.30 1o60B1 GLU 75 HA -0.05 0.01 0.31 -0.75 4.29 3.81 1o60B1 GLU 75 HB2 0.00 0.00 0.11 -0.04 2.09 2.16 1o60B1 GLU 75 HB3 -0.00 -0.01 0.05 -0.04 1.99 1.98 1o60B1 GLU 75 HG2 -0.01 0.00 -0.16 -0.04 2.34 2.14 1o60B1 GLU 75 HG3 -0.01 0.01 0.03 -0.04 2.34 2.33 1o60B1 GLU 76 H -0.01 0.28 -0.37 -0.55 8.60 7.95 1o60B1 GLU 76 HA -0.02 0.05 0.36 -0.75 4.29 3.92 1o60B1 GLU 76 HB2 0.00 0.19 0.08 -0.04 2.09 2.32 1o60B1 GLU 76 HB3 -0.01 -0.05 0.05 -0.04 1.99 1.95 1o60B1 GLU 76 HG2 0.01 0.03 0.04 -0.04 2.34 2.38 1o60B1 GLU 76 HG3 0.02 0.01 0.05 -0.04 2.34 2.38 1o60B1 GLY 77 H -0.06 0.63 0.22 -0.55 8.43 8.67 1o60B1 GLY 77 HA2 -0.22 0.03 0.36 -0.51 4.01 3.67 1o60B1 GLY 77 HA3 -0.15 0.08 0.30 -0.51 4.01 3.73 1o60B1 LEU 78 H -0.15 0.22 -0.31 -0.55 8.37 7.59 1o60B1 LEU 78 HA 0.14 0.07 0.35 -0.75 4.35 4.15 1o60B1 LEU 78 HB2 -0.05 0.09 0.01 -0.04 1.64 1.65 1o60B1 LEU 78 HB3 0.02 0.06 -0.02 -0.04 1.64 1.66 1o60B1 LEU 78 HG -0.23 -0.08 -0.11 -0.04 1.64 1.18 1o60B1 LEU 78 HD13 -0.08 0.03 -0.15 -0.04 0.93 0.69 1o60B1 LEU 78 HD23 0.13 0.00 -0.05 -0.04 0.89 0.93 1o60B1 LYS 79 H -0.05 0.32 -0.30 -0.55 8.42 7.84 1o60B1 LYS 79 HA 0.00 0.06 0.49 -0.75 4.32 4.12 1o60B1 LYS 79 HB2 -0.03 0.16 0.20 -0.04 1.87 2.16 1o60B1 LYS 79 HB3 -0.01 -0.06 0.02 -0.04 1.79 1.70 1o60B1 LYS 79 HG2 -0.01 -0.03 0.03 -0.04 1.46 1.42 1o60B1 LYS 79 HG3 -0.02 0.15 0.06 -0.04 1.46 1.62 1o60B1 LYS 79 HD2 -0.01 -0.03 -0.04 -0.04 1.69 1.57 1o60B1 LYS 79 HD3 -0.01 -0.04 -0.00 -0.04 1.68 1.59 1o60B1 LYS 79 HE2 -0.00 -0.01 -0.02 -0.04 2.99 2.92 1o60B1 LYS 79 HE3 -0.01 0.03 -0.05 -0.04 2.99 2.93 1o60B1 ILE 80 H -0.09 0.51 -0.09 -0.55 8.25 8.03 1o60B1 ILE 80 HA -0.02 0.00 0.44 -0.75 4.18 3.85 1o60B1 ILE 80 HB -0.20 0.12 0.18 -0.04 1.89 1.95 1o60B1 ILE 80 HG12 -0.02 -0.08 0.02 -0.04 1.49 1.37 1o60B1 ILE 80 HG13 -0.04 0.07 0.04 -0.04 1.21 1.24 1o60B1 ILE 80 HG23 -0.02 0.00 -0.07 -0.04 0.93 0.80 1o60B1 ILE 80 HD13 -0.02 -0.02 -0.15 -0.04 0.88 0.64 1o60B1 PHE 81 H -0.13 0.61 -0.08 -0.55 8.34 8.19 1o60B1 PHE 81 HA 0.01 -0.01 0.22 -0.75 4.62 4.08 1o60B1 PHE 81 HB2 0.02 0.08 0.09 -0.04 3.15 3.30 1o60B1 PHE 81 HB3 0.04 0.03 -0.11 -0.04 3.06 2.98 1o60B1 PHE 81 HD2 0.09 -0.03 -0.12 -0.04 7.28 7.17 1o60B1 PHE 81 HE2 0.33 -0.06 -0.14 -0.04 7.38 7.46 1o60B1 PHE 81 HZ 0.22 0.11 -0.16 -0.04 7.32 7.45 1o60B1 GLN 82 H 0.12 0.51 -0.27 -0.55 8.47 8.28 1o60B1 GLN 82 HA 0.07 0.07 0.49 -0.75 4.36 4.23 1o60B1 GLN 82 HB2 0.05 0.11 0.16 -0.04 2.15 2.43 1o60B1 GLN 82 HB3 0.03 0.04 0.15 -0.04 2.02 2.20 1o60B1 GLN 82 HG2 0.02 -0.03 0.02 -0.04 2.40 2.37 1o60B1 GLN 82 HG3 0.01 -0.06 -0.05 -0.04 2.39 2.25 1o60B1 GLN 82 HE21 0.01 0.07 0.04 -0.04 6.97 7.05 1o60B1 GLN 82 HE22 0.01 -0.08 0.05 -0.04 7.69 7.63 1o60B1 GLU 83 H 0.03 0.51 -0.16 -0.55 8.60 8.43 1o60B1 GLU 83 HA -0.01 -0.02 0.36 -0.75 4.29 3.87 1o60B1 GLU 83 HB2 0.01 0.16 0.16 -0.04 2.09 2.37 1o60B1 GLU 83 HB3 -0.01 -0.07 0.00 -0.04 1.99 1.86 1o60B1 GLU 83 HG2 -0.01 -0.07 0.03 -0.04 2.34 2.25 1o60B1 GLU 83 HG3 0.00 0.31 0.08 -0.04 2.34 2.68 1o60B1 LEU 84 H 0.06 0.58 -0.09 -0.55 8.37 8.36 1o60B1 LEU 84 HA 0.16 -0.02 0.54 -0.75 4.35 4.28 1o60B1 LEU 84 HB2 0.03 0.18 0.09 -0.04 1.64 1.90 1o60B1 LEU 84 HB3 -0.05 -0.07 -0.02 -0.04 1.64 1.46 1o60B1 LEU 84 HG 0.00 0.16 0.00 -0.04 1.64 1.76 1o60B1 LEU 84 HD13 -0.47 -0.02 -0.07 -0.04 0.93 0.32 1o60B1 LEU 84 HD23 -0.02 -0.03 -0.01 -0.04 0.89 0.79 1o60B1 LYS 85 H 0.05 0.56 -0.16 -0.55 8.42 8.33 1o60B1 LYS 85 HA 0.05 -0.05 0.55 -0.75 4.32 4.11 1o60B1 LYS 85 HB2 0.03 0.12 0.20 -0.04 1.87 2.18 1o60B1 LYS 85 HB3 0.02 -0.04 -0.03 -0.04 1.79 1.69 1o60B1 LYS 85 HG2 0.01 0.20 0.05 -0.04 1.46 1.68 1o60B1 LYS 85 HG3 0.03 0.05 0.02 -0.04 1.46 1.52 1o60B1 LYS 85 HD2 0.01 0.04 0.03 -0.04 1.69 1.73 1o60B1 LYS 85 HD3 0.00 -0.08 0.00 -0.04 1.68 1.57 1o60B1 LYS 85 HE2 -0.03 -0.14 0.05 -0.04 2.99 2.83 1o60B1 LYS 85 HE3 -0.02 0.16 0.04 -0.04 2.99 3.14 1o60B1 ASP 86 H 0.00 0.58 0.01 -0.55 8.40 8.44 1o60B1 ASP 86 HA -0.02 0.03 0.44 -0.75 4.63 4.33 1o60B1 ASP 86 HB2 -0.03 0.03 0.14 -0.04 2.71 2.81 1o60B1 ASP 86 HB3 -0.04 -0.06 0.01 -0.04 2.70 2.57 1o60B1 THR 87 H -0.10 0.56 -0.15 -0.55 8.28 8.05 1o60B1 THR 87 HA -0.22 0.02 0.55 -0.75 4.39 3.99 1o60B1 THR 87 HB -0.52 0.01 0.14 -0.04 4.32 3.91 1o60B1 THR 87 HG23 -0.88 -0.03 -0.12 -0.04 1.22 0.14 1o60B1 PHE 88 H 0.01 0.61 0.07 -0.55 8.34 8.47 1o60B1 PHE 88 HA -0.00 0.18 0.96 -0.75 4.62 5.00 1o60B1 PHE 88 HB2 -0.02 0.05 0.08 -0.04 3.15 3.22 1o60B1 PHE 88 HB3 0.02 -0.03 0.01 -0.04 3.06 3.02 1o60B1 PHE 88 HD2 -0.04 0.07 0.02 -0.04 7.28 7.29 1o60B1 PHE 88 HE2 -0.03 -0.00 -0.07 -0.04 7.38 7.23 1o60B1 PHE 88 HZ -0.01 -0.02 -0.07 -0.04 7.32 7.18 1o60B1 GLY 89 H 0.07 0.41 0.08 -0.55 8.43 8.45 1o60B1 GLY 89 HA2 0.03 0.12 0.37 -0.51 4.01 4.02 1o60B1 GLY 89 HA3 0.04 0.00 0.44 -0.51 4.01 3.98 1o60B1 VAL 90 H 0.11 0.03 -0.15 -0.55 8.24 7.68 1o60B1 VAL 90 HA 0.04 0.14 0.45 -0.75 4.13 4.01 1o60B1 VAL 90 HB -0.05 0.11 -0.01 -0.04 2.12 2.14 1o60B1 VAL 90 HG13 0.12 -0.01 -0.06 -0.04 0.97 0.98 1o60B1 VAL 90 HG23 -0.01 -0.01 -0.21 -0.04 0.95 0.68 1o60B1 LYS 91 H -0.08 0.19 0.24 -0.55 8.42 8.22 1o60B1 LYS 91 HA -0.05 0.13 0.63 -0.75 4.32 4.27 1o60B1 LYS 91 HB2 -0.15 0.13 0.26 -0.04 1.87 2.06 1o60B1 LYS 91 HB3 -0.10 -0.03 0.05 -0.04 1.79 1.67 1o60B1 LYS 91 HG2 -0.06 0.04 -0.03 -0.04 1.46 1.36 1o60B1 LYS 91 HG3 -0.04 -0.00 -0.00 -0.04 1.46 1.37 1o60B1 LYS 91 HD2 -0.03 0.03 -0.02 -0.04 1.69 1.63 1o60B1 LYS 91 HD3 -0.06 0.07 0.12 -0.04 1.68 1.77 1o60B1 LYS 91 HE2 -0.03 0.12 0.05 -0.04 2.99 3.08 1o60B1 LYS 91 HE3 -0.02 -0.03 -0.01 -0.04 2.99 2.89 1o60B1 ILE 92 H -0.08 0.14 0.23 -0.55 8.25 7.99 1o60B1 ILE 92 HA -0.08 0.39 1.07 -0.75 4.18 4.80 1o60B1 ILE 92 HB -0.19 -0.09 0.09 -0.04 1.89 1.66 1o60B1 ILE 92 HG12 0.06 -0.00 -0.15 -0.04 1.49 1.35 1o60B1 ILE 92 HG13 -0.04 0.03 -0.67 -0.04 1.21 0.49 1o60B1 ILE 92 HG23 -0.55 -0.00 -0.16 -0.04 0.93 0.17 1o60B1 ILE 92 HD13 -0.02 -0.02 -0.09 -0.04 0.88 0.72 1o60B1 ILE 93 H -0.13 0.75 0.27 -0.55 8.25 8.59 1o60B1 ILE 93 HA -0.06 0.35 0.92 -0.75 4.18 4.64 1o60B1 ILE 93 HB 0.06 0.00 -0.19 -0.04 1.89 1.73 1o60B1 ILE 93 HG12 0.04 -0.08 -0.45 -0.04 1.49 0.95 1o60B1 ILE 93 HG13 0.01 0.10 -0.27 -0.04 1.21 1.01 1o60B1 ILE 93 HG23 -0.04 -0.00 -0.27 -0.04 0.93 0.57 1o60B1 ILE 93 HD13 0.07 -0.01 -0.29 -0.04 0.88 0.61 1o60B1 THR 94 H -0.03 0.57 0.27 -0.55 8.28 8.54 1o60B1 THR 94 HA 0.05 0.15 0.69 -0.75 4.39 4.53 1o60B1 THR 94 HB -0.12 0.04 -0.16 -0.04 4.32 4.03 1o60B1 THR 94 HG23 0.28 0.01 -0.14 -0.04 1.22 1.33 1o60B1 ASP 95 H 0.01 0.09 0.20 -0.55 8.40 8.14 1o60B1 ASP 95 HA -0.07 0.20 1.02 -0.75 4.63 5.02 1o60B1 ASP 95 HB2 -0.32 0.10 0.03 -0.04 2.71 2.48 1o60B1 ASP 95 HB3 -0.10 -0.00 -0.03 -0.04 2.70 2.52 1o60B1 VAL 96 H -0.17 0.60 0.28 -0.55 8.24 8.40 1o60B1 VAL 96 HA 0.03 0.08 0.85 -0.75 4.13 4.34 1o60B1 VAL 96 HB 0.01 -0.11 -0.00 -0.04 2.12 1.98 1o60B1 VAL 96 HG13 0.13 0.02 -0.24 -0.04 0.97 0.84 1o60B1 VAL 96 HG23 -0.05 0.04 -0.10 -0.04 0.95 0.80 1o60B1 HIS 97 H 0.08 0.03 0.16 -0.55 8.41 8.14 1o60B1 HIS 97 HA -0.02 0.27 0.98 -0.75 4.63 5.11 1o60B1 HIS 97 HB2 -0.03 -0.02 -0.02 -0.04 3.26 3.16 1o60B1 HIS 97 HB3 -0.01 0.02 0.06 -0.04 3.20 3.22 1o60B1 HIS 97 HD2 -0.21 0.01 -0.13 -0.04 6.97 6.60 1o60B1 HIS 97 HE1 -0.12 -0.02 -0.02 -0.04 7.75 7.55 1o60B1 GLU 98 H -0.01 0.07 0.13 -0.55 8.60 8.24 1o60B1 GLU 98 HA 0.05 0.27 0.94 -0.75 4.29 4.79 1o60B1 GLU 98 HB2 -0.32 -0.09 -0.04 -0.04 2.09 1.60 1o60B1 GLU 98 HB3 0.16 -0.01 0.04 -0.04 1.99 2.14 1o60B1 GLU 98 HG2 0.10 -0.08 -0.39 -0.04 2.34 1.93 1o60B1 GLU 98 HG3 0.15 0.03 -0.06 -0.04 2.34 2.42 1o60B1 ILE 99 H 0.06 0.18 0.12 -0.55 8.25 8.06 1o60B1 ILE 99 HA 0.01 0.16 0.26 -0.75 4.18 3.86 1o60B1 ILE 99 HB 0.08 -0.05 0.14 -0.04 1.89 2.02 1o60B1 ILE 99 HG12 0.03 0.17 -0.17 -0.04 1.49 1.48 1o60B1 ILE 99 HG13 0.04 -0.08 0.00 -0.04 1.21 1.13 1o60B1 ILE 99 HG23 0.05 0.03 -0.08 -0.04 0.93 0.89 1o60B1 ILE 99 HD13 0.04 -0.01 -0.07 -0.04 0.88 0.79 1o60B1 TYR 100 H 0.21 0.05 -0.13 -0.55 8.29 7.87 1o60B1 TYR 100 HA 0.02 0.11 0.24 -0.75 4.56 4.18 1o60B1 TYR 100 HB2 0.02 0.06 0.08 -0.04 3.06 3.18 1o60B1 TYR 100 HB3 0.03 -0.03 0.09 -0.04 2.98 3.02 1o60B1 TYR 100 HD2 0.03 -0.01 -0.12 -0.04 7.15 7.01 1o60B1 TYR 100 HE2 0.04 0.02 -0.05 -0.04 6.85 6.82 1o60B1 GLN 101 H -0.46 0.24 -0.42 -0.55 8.47 7.28 1o60B1 GLN 101 HA -0.24 0.11 0.60 -0.75 4.36 4.08 1o60B1 GLN 101 HB2 -0.15 0.07 0.09 -0.04 2.15 2.12 1o60B1 GLN 101 HB3 -0.06 0.01 0.08 -0.04 2.02 2.01 1o60B1 GLN 101 HG2 -0.47 0.06 0.00 -0.04 2.40 1.95 1o60B1 GLN 101 HG3 -1.41 -0.09 -0.03 -0.04 2.39 0.82 1o60B1 GLN 101 HE21 0.19 -0.00 -0.01 -0.04 6.97 7.11 1o60B1 GLN 101 HE22 0.12 0.06 -0.01 -0.04 7.69 7.81 1o60B1 CYS 102 H -0.05 0.45 -0.16 -0.55 8.50 8.19 1o60B1 CYS 102 HA -0.01 0.01 0.19 -0.75 4.58 4.01 1o60B1 CYS 102 HB2 -0.00 0.03 0.16 -0.04 2.97 3.12 1o60B1 CYS 102 HB3 -0.00 0.12 -0.03 -0.04 2.97 3.02 1o60B1 GLN 103 H 0.01 0.12 -0.09 -0.55 8.47 7.96 1o60B1 GLN 103 HA 0.01 0.14 0.42 -0.75 4.36 4.17 1o60B1 GLN 103 HB2 0.02 -0.01 0.10 -0.04 2.15 2.22 1o60B1 GLN 103 HB3 0.02 -0.00 0.08 -0.04 2.02 2.08 1o60B1 GLN 103 HG2 0.01 -0.02 0.01 -0.04 2.40 2.36 1o60B1 GLN 103 HG3 0.01 -0.02 -0.04 -0.04 2.39 2.30 1o60B1 GLN 103 HE21 0.00 0.16 0.00 -0.04 6.97 7.10 1o60B1 GLN 103 HE22 0.01 -0.10 0.09 -0.04 7.69 7.65 1o60B1 PRO 104 HA 0.00 0.07 0.26 -0.51 4.44 4.27 1o60B1 PRO 104 HB2 -0.02 0.00 -0.04 -0.04 2.28 2.18 1o60B1 PRO 104 HB3 0.01 -0.01 0.07 -0.04 2.02 2.05 1o60B1 PRO 104 HG2 -0.02 0.04 0.11 -0.04 2.03 2.13 1o60B1 PRO 104 HG3 0.07 -0.00 0.08 -0.04 2.03 2.14 1o60B1 PRO 104 HD2 0.01 0.03 -0.24 -0.04 3.68 3.44 1o60B1 PRO 104 HD3 0.04 0.07 0.10 -0.04 3.65 3.81 1o60B1 VAL 105 H -0.03 0.58 -0.17 -0.55 8.24 8.08 1o60B1 VAL 105 HA -0.02 -0.01 0.48 -0.75 4.13 3.83 1o60B1 VAL 105 HB 0.02 0.17 0.07 -0.04 2.12 2.34 1o60B1 VAL 105 HG13 0.09 -0.01 -0.17 -0.04 0.97 0.83 1o60B1 VAL 105 HG23 -0.10 -0.04 -0.00 -0.04 0.95 0.77 1o60B1 ALA 106 H -0.00 0.61 -0.10 -0.55 8.40 8.36 1o60B1 ALA 106 HA -0.01 0.03 0.18 -0.75 4.34 3.79 1o60B1 ALA 106 HB3 -0.00 0.00 0.03 -0.04 1.41 1.40 1o60B1 ASP 107 H 0.00 0.23 -0.50 -0.55 8.40 7.58 1o60B1 ASP 107 HA 0.00 0.10 0.61 -0.75 4.63 4.59 1o60B1 ASP 107 HB2 0.00 0.10 0.09 -0.04 2.71 2.86 1o60B1 ASP 107 HB3 0.01 -0.09 -0.02 -0.04 2.70 2.56 1o60B1 VAL 108 H 0.00 0.34 -0.28 -0.55 8.24 7.75 1o60B1 VAL 108 HA 0.01 0.13 0.91 -0.75 4.13 4.43 1o60B1 VAL 108 HB 0.05 0.02 0.14 -0.04 2.12 2.28 1o60B1 VAL 108 HG13 0.10 -0.02 -0.15 -0.04 0.97 0.85 1o60B1 VAL 108 HG23 0.03 -0.01 -0.07 -0.04 0.95 0.86 1o60B1 VAL 109 H -0.02 0.45 0.16 -0.55 8.24 8.28 1o60B1 VAL 109 HA -0.09 0.10 0.70 -0.75 4.13 4.08 1o60B1 VAL 109 HB -0.18 -0.00 -0.04 -0.04 2.12 1.85 1o60B1 VAL 109 HG13 -0.28 -0.02 -0.09 -0.04 0.97 0.55 1o60B1 VAL 109 HG23 -0.04 0.04 -0.32 -0.04 0.95 0.58 1o60B1 ASP 110 H -0.07 0.33 0.34 -0.55 8.40 8.45 1o60B1 ASP 110 HA -0.02 0.23 0.79 -0.75 4.63 4.87 1o60B1 ASP 110 HB2 -0.03 -0.00 0.11 -0.04 2.71 2.75 1o60B1 ASP 110 HB3 -0.02 -0.03 0.06 -0.04 2.70 2.68 1o60B1 ILE 111 H -0.04 0.44 0.30 -0.55 8.25 8.40 1o60B1 ILE 111 HA 0.00 0.36 0.93 -0.75 4.18 4.71 1o60B1 ILE 111 HB 0.03 -0.13 0.02 -0.04 1.89 1.77 1o60B1 ILE 111 HG12 0.05 0.10 -0.22 -0.04 1.49 1.38 1o60B1 ILE 111 HG13 0.03 -0.11 -0.39 -0.04 1.21 0.69 1o60B1 ILE 111 HG23 0.01 -0.01 -0.41 -0.04 0.93 0.48 1o60B1 ILE 111 HD13 0.22 -0.01 -0.25 -0.04 0.88 0.79 1o60B1 ILE 112 H -0.01 0.79 0.20 -0.55 8.25 8.68 1o60B1 ILE 112 HA -0.01 0.20 0.92 -0.75 4.18 4.54 1o60B1 ILE 112 HB -0.01 -0.06 -0.04 -0.04 1.89 1.74 1o60B1 ILE 112 HG12 -0.01 0.12 -0.06 -0.04 1.49 1.51 1o60B1 ILE 112 HG13 -0.02 -0.03 -0.02 -0.04 1.21 1.10 1o60B1 ILE 112 HG23 0.00 0.00 -0.23 -0.04 0.93 0.67 1o60B1 ILE 112 HD13 -0.01 -0.00 -0.17 -0.04 0.88 0.66 1o60B1 GLN 113 H -0.02 0.56 0.27 -0.55 8.47 8.73 1o60B1 GLN 113 HA -0.06 0.25 0.93 -0.75 4.36 4.73 1o60B1 GLN 113 HB2 -0.01 0.00 -0.21 -0.04 2.15 1.89 1o60B1 GLN 113 HB3 -0.04 -0.11 -0.15 -0.04 2.02 1.67 1o60B1 GLN 113 HG2 -0.12 -0.12 -0.55 -0.04 2.40 1.58 1o60B1 GLN 113 HG3 -0.11 0.16 -0.22 -0.04 2.39 2.18 1o60B1 GLN 113 HE21 0.00 0.00 -0.20 -0.04 6.97 6.74 1o60B1 GLN 113 HE22 -0.11 -0.08 -0.20 -0.04 7.69 7.26 1o60B1 LEU 114 H -0.08 0.71 0.25 -0.55 8.37 8.70 1o60B1 LEU 114 HA -0.10 0.13 0.65 -0.75 4.35 4.28 1o60B1 LEU 114 HB2 -0.05 0.07 -0.03 -0.04 1.64 1.59 1o60B1 LEU 114 HB3 -0.07 -0.05 0.21 -0.04 1.64 1.68 1o60B1 LEU 114 HG -0.05 0.02 -0.32 -0.04 1.64 1.25 1o60B1 LEU 114 HD13 -0.04 0.03 -0.18 -0.04 0.93 0.71 1o60B1 LEU 114 HD23 -0.03 0.04 -0.04 -0.04 0.89 0.81 1o60B1 PRO 115 HA -0.17 0.03 0.36 -0.51 4.44 4.15 1o60B1 PRO 115 HB2 -0.05 -0.12 0.01 -0.04 2.28 2.08 1o60B1 PRO 115 HB3 -0.11 -0.01 0.06 -0.04 2.02 1.93 1o60B1 PRO 115 HG2 -0.55 0.02 0.06 -0.04 2.03 1.52 1o60B1 PRO 115 HG3 -0.51 -0.01 0.01 -0.04 2.03 1.48 1o60B1 PRO 115 HD2 -0.15 0.06 0.23 -0.04 3.68 3.78 1o60B1 PRO 115 HD3 -0.23 0.44 0.46 -0.04 3.65 4.27 1o60B1 ALA 116 H -0.20 0.12 0.12 -0.55 8.40 7.90 1o60B1 ALA 116 HA -0.09 0.39 0.37 -0.75 4.34 4.26 1o60B1 ALA 116 HB3 -0.18 -0.02 -0.04 -0.04 1.41 1.13 1o60B1 PHE 117 H -0.11 0.08 -0.10 -0.55 8.34 7.66 1o60B1 PHE 117 HA 0.14 0.07 0.37 -0.75 4.62 4.44 1o60B1 PHE 117 HB2 0.04 -0.02 -0.01 -0.04 3.15 3.12 1o60B1 PHE 117 HB3 0.06 0.04 0.01 -0.04 3.06 3.12 1o60B1 PHE 117 HD2 0.08 -0.01 -0.03 -0.04 7.28 7.28 1o60B1 PHE 117 HE2 0.05 0.02 -0.00 -0.04 7.38 7.41 1o60B1 PHE 117 HZ 0.03 0.04 -0.00 -0.04 7.32 7.35 1o60B1 LEU 118 H 0.10 0.26 -0.54 -0.55 8.37 7.64 1o60B1 LEU 118 HA 0.10 0.12 0.83 -0.75 4.35 4.64 1o60B1 LEU 118 HB2 0.01 0.16 0.04 -0.04 1.64 1.81 1o60B1 LEU 118 HB3 0.04 -0.06 0.16 -0.04 1.64 1.74 1o60B1 LEU 118 HG 0.13 -0.12 -0.08 -0.04 1.64 1.53 1o60B1 LEU 118 HD13 0.08 0.02 0.08 -0.04 0.93 1.07 1o60B1 LEU 118 HD23 0.12 0.02 -0.16 -0.04 0.89 0.83 1o60B1 ALA 119 H 0.06 0.47 -0.24 -0.55 8.40 8.14 1o60B1 ALA 119 HA -0.01 0.06 0.11 -0.75 4.34 3.74 1o60B1 ALA 119 HB3 -0.04 0.02 0.09 -0.04 1.41 1.44 1o60B1 ARG 120 H 0.07 0.07 -0.34 -0.55 8.46 7.71 1o60B1 ARG 120 HA 0.02 0.26 0.81 -0.75 4.34 4.68 1o60B1 ARG 120 HB2 0.08 -0.02 0.04 -0.04 1.90 1.97 1o60B1 ARG 120 HB3 0.05 -0.03 0.15 -0.04 1.80 1.92 1o60B1 ARG 120 HG2 0.03 0.08 -0.07 -0.04 1.67 1.67 1o60B1 ARG 120 HG3 0.04 -0.04 -0.24 -0.04 1.67 1.39 1o60B1 ARG 120 HD2 0.15 -0.02 -0.04 -0.04 3.22 3.28 1o60B1 ARG 120 HD3 0.09 -0.03 -0.00 -0.04 3.22 3.23 1o60B1 GLN 121 H 0.03 0.63 -0.15 -0.55 8.47 8.44 1o60B1 GLN 121 HA 0.03 0.01 0.47 -0.75 4.36 4.12 1o60B1 GLN 121 HB2 0.03 0.10 0.22 -0.04 2.15 2.45 1o60B1 GLN 121 HB3 0.03 -0.13 0.07 -0.04 2.02 1.95 1o60B1 GLN 121 HG2 0.05 0.05 0.11 -0.04 2.40 2.57 1o60B1 GLN 121 HG3 0.05 -0.01 0.08 -0.04 2.39 2.46 1o60B1 GLN 121 HE21 0.03 0.01 -0.05 -0.04 6.97 6.92 1o60B1 GLN 121 HE22 0.06 0.04 -0.04 -0.04 7.69 7.71 1o60B1 THR 122 H 0.02 0.21 0.27 -0.55 8.28 8.22 1o60B1 THR 122 HA 0.01 0.16 0.22 -0.75 4.39 4.03 1o60B1 THR 122 HB 0.01 -0.09 0.14 -0.04 4.32 4.34 1o60B1 THR 122 HG23 0.01 0.02 -0.12 -0.04 1.22 1.09 1o60B1 ASP 123 H 0.02 0.06 -0.06 -0.55 8.40 7.87 1o60B1 ASP 123 HA 0.01 0.14 0.43 -0.75 4.63 4.45 1o60B1 ASP 123 HB2 0.02 -0.05 0.05 -0.04 2.71 2.69 1o60B1 ASP 123 HB3 0.02 0.02 0.01 -0.04 2.70 2.71 1o60B1 LEU 124 H 0.02 0.11 -0.29 -0.55 8.37 7.66 1o60B1 LEU 124 HA 0.01 -0.02 0.44 -0.75 4.35 4.02 1o60B1 LEU 124 HB2 0.02 -0.13 0.01 -0.04 1.64 1.49 1o60B1 LEU 124 HB3 0.01 0.19 0.08 -0.04 1.64 1.88 1o60B1 LEU 124 HG -0.02 0.13 -0.29 -0.04 1.64 1.42 1o60B1 LEU 124 HD13 -0.01 -0.05 -0.30 -0.04 0.93 0.52 1o60B1 LEU 124 HD23 -0.01 0.04 -0.10 -0.04 0.89 0.77 1o60B1 VAL 125 H 0.00 0.44 -0.12 -0.55 8.24 8.02 1o60B1 VAL 125 HA -0.01 0.04 0.25 -0.75 4.13 3.65 1o60B1 VAL 125 HB 0.00 0.03 0.04 -0.04 2.12 2.16 1o60B1 VAL 125 HG13 -0.00 0.00 -0.20 -0.04 0.97 0.73 1o60B1 VAL 125 HG23 -0.00 0.03 -0.12 -0.04 0.95 0.82 1o60B1 GLU 126 H 0.00 0.38 -0.24 -0.55 8.60 8.20 1o60B1 GLU 126 HA 0.00 0.10 0.45 -0.75 4.29 4.09 1o60B1 GLU 126 HB2 0.01 0.02 0.09 -0.04 2.09 2.16 1o60B1 GLU 126 HB3 0.01 -0.02 0.09 -0.04 1.99 2.03 1o60B1 GLU 126 HG2 0.01 -0.02 -0.14 -0.04 2.34 2.15 1o60B1 GLU 126 HG3 0.01 0.06 0.06 -0.04 2.34 2.42 1o60B1 ALA 127 H 0.01 0.34 -0.23 -0.55 8.40 7.97 1o60B1 ALA 127 HA 0.01 -0.00 0.24 -0.75 4.34 3.84 1o60B1 ALA 127 HB3 0.01 -0.02 0.15 -0.04 1.41 1.51 1o60B1 ALA 129 HA -0.00 -0.07 0.28 -0.75 4.34 3.80 1o60B1 ALA 129 HB3 -0.00 -0.02 0.11 -0.04 1.41 1.46 1o60B1 LYS 130 H 0.00 0.64 -0.52 -0.55 8.42 7.98 1o60B1 LYS 130 HA 0.00 0.08 0.22 -0.75 4.32 3.86 1o60B1 LYS 130 HB2 0.01 0.03 0.10 -0.04 1.87 1.96 1o60B1 LYS 130 HB3 0.01 -0.13 0.10 -0.04 1.79 1.73 1o60B1 LYS 130 HG2 0.00 0.10 0.05 -0.04 1.46 1.57 1o60B1 LYS 130 HG3 0.01 0.27 0.07 -0.04 1.46 1.77 1o60B1 LYS 130 HD2 0.01 -0.09 -0.02 -0.04 1.69 1.55 1o60B1 LYS 130 HD3 0.01 -0.04 0.03 -0.04 1.68 1.63 1o60B1 LYS 130 HE2 0.01 -0.03 -0.02 -0.04 2.99 2.90 1o60B1 LYS 130 HE3 0.01 -0.11 -0.01 -0.04 2.99 2.84 1o60B1 THR 131 H 0.00 0.26 -0.11 -0.55 8.28 7.89 1o60B1 THR 131 HA 0.00 0.01 0.35 -0.75 4.39 4.00 1o60B1 THR 131 HB 0.00 -0.01 0.01 -0.04 4.32 4.28 1o60B1 THR 131 HG23 0.00 0.07 -0.14 -0.04 1.22 1.11 1o60B1 GLY 132 H 0.00 0.49 -0.18 -0.55 8.43 8.19 1o60B1 GLY 132 HA2 0.00 0.05 0.29 -0.51 4.01 3.83 1o60B1 GLY 132 HA3 0.00 0.03 0.33 -0.51 4.01 3.86 1o60B1 ALA 133 H -0.00 -0.06 -0.41 -0.55 8.40 7.38 1o60B1 ALA 133 HA -0.00 0.10 0.56 -0.75 4.34 4.25 1o60B1 ALA 133 HB3 -0.00 -0.00 -0.06 -0.04 1.41 1.30 1o60B1 VAL 134 H 0.00 0.30 0.28 -0.55 8.24 8.27 1o60B1 VAL 134 HA 0.01 0.18 0.70 -0.75 4.13 4.27 1o60B1 VAL 134 HB 0.02 -0.05 0.16 -0.04 2.12 2.21 1o60B1 VAL 134 HG13 0.03 -0.02 -0.23 -0.04 0.97 0.71 1o60B1 VAL 134 HG23 0.02 -0.00 0.11 -0.04 0.95 1.03 1o60B1 ILE 135 H -0.00 0.68 0.32 -0.55 8.25 8.69 1o60B1 ILE 135 HA -0.02 0.32 1.00 -0.75 4.18 4.73 1o60B1 ILE 135 HB -0.02 -0.01 0.08 -0.04 1.89 1.90 1o60B1 ILE 135 HG12 -0.02 -0.04 -0.13 -0.04 1.49 1.26 1o60B1 ILE 135 HG13 -0.01 0.17 -0.35 -0.04 1.21 0.98 1o60B1 ILE 135 HG23 -0.03 -0.03 -0.24 -0.04 0.93 0.58 1o60B1 ILE 135 HD13 -0.01 -0.00 -0.04 -0.04 0.88 0.79 1o60B1 ASN 136 H -0.04 0.51 0.14 -0.55 8.53 8.60 1o60B1 ASN 136 HA -0.07 0.22 0.80 -0.75 4.76 4.96 1o60B1 ASN 136 HB2 -0.09 0.02 -0.20 -0.04 2.88 2.57 1o60B1 ASN 136 HB3 -0.06 -0.12 -0.07 -0.04 2.79 2.50 1o60B1 ASN 136 HD21 -0.24 -0.04 -0.35 -0.04 7.03 6.37 1o60B1 ASN 136 HD22 -0.09 -0.08 -0.30 -0.04 7.74 7.23 1o60B1 VAL 137 H -0.07 0.86 0.24 -0.55 8.24 8.72 1o60B1 VAL 137 HA -0.08 0.09 0.74 -0.75 4.13 4.13 1o60B1 VAL 137 HB -0.05 -0.02 0.13 -0.04 2.12 2.14 1o60B1 VAL 137 HG13 -0.06 -0.01 -0.24 -0.04 0.97 0.62 1o60B1 VAL 137 HG23 -0.04 0.02 -0.16 -0.04 0.95 0.73 1o60B1 LYS 138 H -0.12 0.46 0.13 -0.55 8.42 8.33 1o60B1 LYS 138 HA -0.16 0.15 0.74 -0.75 4.32 4.30 1o60B1 LYS 138 HB2 -0.16 -0.01 0.09 -0.04 1.87 1.74 1o60B1 LYS 138 HB3 -0.20 -0.02 -0.06 -0.04 1.79 1.47 1o60B1 LYS 138 HG2 -0.20 0.05 -0.22 -0.04 1.46 1.05 1o60B1 LYS 138 HG3 -0.23 -0.12 -0.14 -0.04 1.46 0.93 1o60B1 LYS 138 HD2 -0.35 0.07 -0.19 -0.04 1.69 1.18 1o60B1 LYS 138 HD3 -0.54 -0.02 -0.21 -0.04 1.68 0.86 1o60B1 LYS 138 HE2 -0.28 0.00 -0.11 -0.04 2.99 2.57 1o60B1 LYS 138 HE3 -0.39 0.01 -0.19 -0.04 2.99 2.38 1o60B1 LYS 139 H -0.11 0.76 0.29 -0.55 8.42 8.80 1o60B1 LYS 139 HA -0.13 0.10 0.48 -0.75 4.32 4.02 1o60B1 LYS 139 HB2 -0.10 0.02 -0.01 -0.04 1.87 1.74 1o60B1 LYS 139 HB3 -0.10 -0.13 0.18 -0.04 1.79 1.70 1o60B1 LYS 139 HG2 -0.13 0.07 -0.24 -0.04 1.46 1.11 1o60B1 LYS 139 HG3 -0.15 0.00 -0.07 -0.04 1.46 1.20 1o60B1 LYS 139 HD2 -0.11 0.10 -0.28 -0.04 1.69 1.36 1o60B1 LYS 139 HD3 -0.11 0.03 -0.14 -0.04 1.68 1.42 1o60B1 LYS 139 HE2 -0.15 -0.04 -0.07 -0.04 2.99 2.69 1o60B1 LYS 139 HE3 -0.15 -0.07 -0.06 -0.04 2.99 2.67 1o60B1 PRO 140 HA -0.15 -0.03 0.46 -0.51 4.44 4.20 1o60B1 PRO 140 HB2 -1.28 -0.16 -0.04 -0.04 2.28 0.77 1o60B1 PRO 140 HB3 -0.63 0.01 0.03 -0.04 2.02 1.39 1o60B1 PRO 140 HG2 -0.41 -0.01 0.06 -0.04 2.03 1.63 1o60B1 PRO 140 HG3 -0.18 0.27 0.17 -0.04 2.03 2.24 1o60B1 PRO 140 HD2 -0.22 0.07 0.20 -0.04 3.68 3.69 1o60B1 PRO 140 HD3 -0.15 0.39 0.34 -0.04 3.65 4.19 1o60B1 GLN 141 H -0.00 0.09 0.15 -0.55 8.47 8.16 1o60B1 GLN 141 HA -0.02 0.43 0.40 -0.75 4.36 4.41 1o60B1 GLN 141 HB2 0.09 -0.08 -0.01 -0.04 2.15 2.11 1o60B1 GLN 141 HB3 0.06 0.12 0.01 -0.04 2.02 2.17 1o60B1 GLN 141 HG2 0.27 -0.13 0.08 -0.04 2.40 2.59 1o60B1 GLN 141 HG3 0.25 -0.01 -0.14 -0.04 2.39 2.45 1o60B1 GLN 141 HE21 0.26 0.02 -0.02 -0.04 6.97 7.18 1o60B1 GLN 141 HE22 0.27 -0.05 0.01 -0.04 7.69 7.88 1o60B1 PHE 142 H -0.28 -0.01 -0.42 -0.55 8.34 7.08 1o60B1 PHE 142 HA 0.02 0.18 0.89 -0.75 4.62 4.96 1o60B1 PHE 142 HB2 0.01 0.01 0.13 -0.04 3.15 3.26 1o60B1 PHE 142 HB3 0.03 -0.04 0.02 -0.04 3.06 3.03 1o60B1 PHE 142 HD2 0.04 -0.03 -0.14 -0.04 7.28 7.11 1o60B1 PHE 142 HE2 0.05 -0.01 -0.05 -0.04 7.38 7.34 1o60B1 PHE 142 HZ 0.03 0.03 -0.02 -0.04 7.32 7.32 1o60B1 LEU 143 H -0.36 0.51 -0.19 -0.55 8.37 7.79 1o60B1 LEU 143 HA -0.04 0.08 0.81 -0.75 4.35 4.44 1o60B1 LEU 143 HB2 -0.48 -0.10 0.06 -0.04 1.64 1.07 1o60B1 LEU 143 HB3 -0.20 0.08 -0.11 -0.04 1.64 1.38 1o60B1 LEU 143 HG -0.07 -0.07 0.05 -0.04 1.64 1.52 1o60B1 LEU 143 HD13 -0.09 -0.01 -0.02 -0.04 0.93 0.77 1o60B1 LEU 143 HD23 -0.10 0.04 -0.05 -0.04 0.89 0.75 1o60B1 SER 144 H -0.02 0.06 0.15 -0.55 8.46 8.11 1o60B1 SER 144 HA -0.04 0.18 0.35 -0.75 4.49 4.23 1o60B1 SER 144 HB2 -0.02 0.03 0.08 -0.04 3.95 4.00 1o60B1 SER 144 HB3 -0.00 0.04 0.09 -0.04 3.93 4.02 1o60B1 PRO 145 HA -0.08 0.13 0.25 -0.51 4.44 4.24 1o60B1 PRO 145 HB2 -0.06 0.04 0.06 -0.04 2.28 2.27 1o60B1 PRO 145 HB3 -0.11 0.11 0.13 -0.04 2.02 2.10 1o60B1 PRO 145 HG2 -0.05 -0.00 0.12 -0.04 2.03 2.05 1o60B1 PRO 145 HG3 -0.10 0.01 0.11 -0.04 2.03 2.01 1o60B1 PRO 145 HD2 -0.04 0.04 0.22 -0.04 3.68 3.85 1o60B1 PRO 145 HD3 -0.07 0.21 0.19 -0.04 3.65 3.94 1o60B1 SER 146 H -0.03 0.03 -0.15 -0.55 8.46 7.76 1o60B1 SER 146 HA -0.02 0.17 0.45 -0.75 4.49 4.34 1o60B1 SER 146 HB2 -0.01 0.04 0.10 -0.04 3.95 4.03 1o60B1 SER 146 HB3 -0.02 -0.01 0.11 -0.04 3.93 3.97 1o60B1 GLN 147 H -0.03 0.24 -0.45 -0.55 8.47 7.68 1o60B1 GLN 147 HA -0.01 0.02 0.15 -0.75 4.36 3.76 1o60B1 GLN 147 HB2 -0.03 0.20 0.10 -0.04 2.15 2.38 1o60B1 GLN 147 HB3 -0.01 -0.05 0.11 -0.04 2.02 2.02 1o60B1 GLN 147 HG2 -0.01 -0.06 -0.04 -0.04 2.40 2.25 1o60B1 GLN 147 HG3 -0.00 -0.15 0.08 -0.04 2.39 2.28 1o60B1 GLN 147 HE21 0.02 -0.00 0.01 -0.04 6.97 6.96 1o60B1 GLN 147 HE22 0.02 -0.03 0.03 -0.04 7.69 7.67 1o60B1 GLY 149 HA2 -0.01 -0.00 0.18 -0.51 4.01 3.67 1o60B1 GLY 149 HA3 -0.01 0.13 0.18 -0.51 4.01 3.80 1o60B1 ASN 150 H -0.01 0.33 -0.70 -0.55 8.53 7.61 1o60B1 ASN 150 HA -0.00 0.04 0.52 -0.75 4.76 4.56 1o60B1 ASN 150 HB2 -0.00 0.13 0.11 -0.04 2.88 3.08 1o60B1 ASN 150 HB3 0.00 -0.07 0.05 -0.04 2.79 2.73 1o60B1 ASN 150 HD21 0.00 -0.05 -0.04 -0.04 7.03 6.90 1o60B1 ASN 150 HD22 0.00 -0.01 0.02 -0.04 7.74 7.71 1o60B1 ILE 151 H -0.01 0.37 0.10 -0.55 8.25 8.16 1o60B1 ILE 151 HA -0.01 0.07 0.61 -0.75 4.18 4.10 1o60B1 ILE 151 HB -0.02 0.03 0.01 -0.04 1.89 1.88 1o60B1 ILE 151 HG12 -0.02 0.01 -0.12 -0.04 1.49 1.32 1o60B1 ILE 151 HG13 -0.02 0.03 -0.29 -0.04 1.21 0.89 1o60B1 ILE 151 HG23 -0.02 0.03 -0.01 -0.04 0.93 0.89 1o60B1 ILE 151 HD13 -0.05 -0.00 -0.15 -0.04 0.88 0.64 1o60B1 VAL 152 H -0.01 0.16 -0.27 -0.55 8.24 7.57 1o60B1 VAL 152 HA -0.01 0.07 0.42 -0.75 4.13 3.86 1o60B1 VAL 152 HB -0.01 0.16 0.13 -0.04 2.12 2.36 1o60B1 VAL 152 HG13 -0.00 0.03 -0.08 -0.04 0.97 0.87 1o60B1 VAL 152 HG23 -0.01 -0.01 -0.03 -0.04 0.95 0.86 1o60B1 GLU 153 H -0.00 0.51 -0.15 -0.55 8.60 8.40 1o60B1 GLU 153 HA -0.00 0.04 0.38 -0.75 4.29 3.95 1o60B1 GLU 153 HB2 -0.00 0.07 0.14 -0.04 2.09 2.27 1o60B1 GLU 153 HB3 0.00 -0.08 0.02 -0.04 1.99 1.89 1o60B1 GLU 153 HG2 -0.00 -0.03 0.04 -0.04 2.34 2.31 1o60B1 GLU 153 HG3 -0.00 0.33 0.13 -0.04 2.34 2.76 1o60B1 LYS 154 H -0.00 0.40 -0.34 -0.55 8.42 7.93 1o60B1 LYS 154 HA 0.00 -0.03 0.37 -0.75 4.32 3.90 1o60B1 LYS 154 HB2 0.00 0.03 0.14 -0.04 1.87 2.00 1o60B1 LYS 154 HB3 -0.00 0.13 0.17 -0.04 1.79 2.05 1o60B1 LYS 154 HG2 0.00 0.03 -0.17 -0.04 1.46 1.28 1o60B1 LYS 154 HG3 0.00 -0.08 0.02 -0.04 1.46 1.36 1o60B1 LYS 154 HD2 0.00 0.09 -0.04 -0.04 1.69 1.69 1o60B1 LYS 154 HD3 0.00 -0.08 -0.08 -0.04 1.68 1.49 1o60B1 LYS 154 HE2 0.01 -0.05 -0.00 -0.04 2.99 2.90 1o60B1 LYS 154 HE3 0.01 0.04 -0.02 -0.04 2.99 2.98 1o60B1 ILE 155 H -0.00 0.53 -0.13 -0.55 8.25 8.09 1o60B1 ILE 155 HA -0.00 0.03 0.41 -0.75 4.18 3.86 1o60B1 ILE 155 HB -0.01 0.07 0.13 -0.04 1.89 2.04 1o60B1 ILE 155 HG12 -0.01 0.01 -0.02 -0.04 1.49 1.43 1o60B1 ILE 155 HG13 -0.01 0.03 0.05 -0.04 1.21 1.24 1o60B1 ILE 155 HG23 -0.01 0.07 -0.06 -0.04 0.93 0.90 1o60B1 ILE 155 HD13 -0.02 -0.03 -0.11 -0.04 0.88 0.68 1o60B1 GLU 156 H -0.00 0.55 -0.16 -0.55 8.60 8.44 1o60B1 GLU 156 HA 0.00 0.09 0.28 -0.75 4.29 3.90 1o60B1 GLU 156 HB2 0.00 0.06 0.13 -0.04 2.09 2.24 1o60B1 GLU 156 HB3 0.00 -0.10 -0.00 -0.04 1.99 1.84 1o60B1 GLU 156 HG2 0.00 -0.02 -0.02 -0.04 2.34 2.26 1o60B1 GLU 156 HG3 -0.00 0.19 0.06 -0.04 2.34 2.55 1o60B1 GLU 157 H 0.00 0.49 -0.32 -0.55 8.60 8.22 1o60B1 GLU 157 HA 0.00 -0.02 0.40 -0.75 4.29 3.91 1o60B1 GLU 157 HB2 0.00 0.24 0.12 -0.04 2.09 2.41 1o60B1 GLU 157 HB3 0.00 -0.10 -0.03 -0.04 1.99 1.82 1o60B1 GLU 157 HG2 0.00 -0.07 0.04 -0.04 2.34 2.27 1o60B1 GLU 157 HG3 0.00 0.15 0.02 -0.04 2.34 2.46 1o60B1 CYS 158 H 0.00 0.47 -0.45 -0.55 8.50 7.98 1o60B1 CYS 158 HA 0.00 0.03 0.75 -0.75 4.58 4.61 1o60B1 CYS 158 HB2 0.00 0.20 0.09 -0.04 2.97 3.22 1o60B1 CYS 158 HB3 0.00 -0.06 0.13 -0.04 2.97 3.00 1o60B1 GLY 159 H 0.00 0.48 -0.30 -0.55 8.43 8.06 1o60B1 GLY 159 HA2 0.00 -0.03 0.24 -0.51 4.01 3.72 1o60B1 GLY 159 HA3 0.00 0.09 0.53 -0.51 4.01 4.12 1o60B1 ASN 160 H 0.00 0.33 -0.11 -0.55 8.53 8.21 1o60B1 ASN 160 HA 0.00 0.13 0.96 -0.75 4.76 5.10 1o60B1 ASN 160 HB2 0.00 0.16 -0.14 -0.04 2.88 2.86 1o60B1 ASN 160 HB3 -0.00 -0.01 0.03 -0.04 2.79 2.77 1o60B1 ASN 160 HD21 -0.00 0.49 -0.13 -0.04 7.03 7.35 1o60B1 ASN 160 HD22 -0.00 0.18 0.09 -0.04 7.74 7.97 1o60B1 ASP 161 H 0.00 0.18 0.08 -0.55 8.40 8.11 1o60B1 ASP 161 HA 0.00 0.24 0.86 -0.75 4.63 4.97 1o60B1 ASP 161 HB2 0.00 0.03 0.17 -0.04 2.71 2.87 1o60B1 ASP 161 HB3 0.00 -0.01 -0.03 -0.04 2.70 2.63 1o60B1 LYS 162 H 0.00 0.14 -0.17 -0.55 8.42 7.84 1o60B1 LYS 162 HA 0.01 0.11 0.57 -0.75 4.32 4.26 1o60B1 LYS 162 HB2 0.00 0.12 0.17 -0.04 1.87 2.12 1o60B1 LYS 162 HB3 0.01 -0.02 0.15 -0.04 1.79 1.89 1o60B1 LYS 162 HG2 0.01 0.00 0.03 -0.04 1.46 1.46 1o60B1 LYS 162 HG3 0.01 -0.10 0.04 -0.04 1.46 1.36 1o60B1 LYS 162 HD2 0.01 0.02 0.02 -0.04 1.69 1.69 1o60B1 LYS 162 HD3 0.01 -0.04 0.07 -0.04 1.68 1.67 1o60B1 LYS 162 HE2 0.00 0.05 0.07 -0.04 2.99 3.07 1o60B1 LYS 162 HE3 0.00 -0.10 0.06 -0.04 2.99 2.91 1o60B1 ILE 163 H 0.01 0.41 0.16 -0.55 8.25 8.27 1o60B1 ILE 163 HA -0.01 0.29 1.01 -0.75 4.18 4.72 1o60B1 ILE 163 HB -0.00 0.03 0.00 -0.04 1.89 1.88 1o60B1 ILE 163 HG12 -0.01 0.02 -0.21 -0.04 1.49 1.25 1o60B1 ILE 163 HG13 -0.00 -0.17 -0.73 -0.04 1.21 0.26 1o60B1 ILE 163 HG23 -0.02 -0.02 -0.25 -0.04 0.93 0.60 1o60B1 ILE 163 HD13 -0.00 0.01 -0.04 -0.04 0.88 0.81 1o60B1 ILE 164 H -0.02 0.67 0.38 -0.55 8.25 8.73 1o60B1 ILE 164 HA -0.00 0.28 0.86 -0.75 4.18 4.57 1o60B1 ILE 164 HB -0.07 -0.09 -0.03 -0.04 1.89 1.66 1o60B1 ILE 164 HG12 0.04 0.05 -0.15 -0.04 1.49 1.39 1o60B1 ILE 164 HG13 0.02 -0.03 -0.55 -0.04 1.21 0.61 1o60B1 ILE 164 HG23 -0.09 -0.01 -0.29 -0.04 0.93 0.49 1o60B1 ILE 164 HD13 0.09 -0.02 -0.26 -0.04 0.88 0.65 1o60B1 LEU 165 H -0.00 0.82 0.27 -0.55 8.37 8.91 1o60B1 LEU 165 HA -0.04 0.15 0.93 -0.75 4.35 4.63 1o60B1 LEU 165 HB2 0.02 0.03 0.06 -0.04 1.64 1.71 1o60B1 LEU 165 HB3 -0.02 -0.03 -0.04 -0.04 1.64 1.51 1o60B1 LEU 165 HG -0.00 0.06 -0.21 -0.04 1.64 1.44 1o60B1 LEU 165 HD13 -0.00 0.02 -0.13 -0.04 0.93 0.78 1o60B1 LEU 165 HD23 -0.03 0.00 -0.24 -0.04 0.89 0.59 1o60B1 CYS 166 H -0.07 0.66 0.28 -0.55 8.50 8.83 1o60B1 CYS 166 HA 0.01 0.26 1.03 -0.75 4.58 5.12 1o60B1 CYS 166 HB2 -0.16 0.00 -0.36 -0.04 2.97 2.41 1o60B1 CYS 166 HB3 -0.18 -0.05 -0.06 -0.04 2.97 2.64 1o60B1 ASP 167 H 0.17 0.67 0.34 -0.55 8.40 9.03 1o60B1 ASP 167 HA -0.04 0.13 0.74 -0.75 4.63 4.70 1o60B1 ASP 167 HB2 -0.12 0.10 0.05 -0.04 2.71 2.70 1o60B1 ASP 167 HB3 0.22 -0.02 0.14 -0.04 2.70 2.99 1o60B1 ARG 168 H -0.03 0.32 0.17 -0.55 8.46 8.38 1o60B1 ARG 168 HA 0.07 0.21 0.85 -0.75 4.34 4.72 1o60B1 ARG 168 HB2 0.00 -0.00 0.05 -0.04 1.90 1.91 1o60B1 ARG 168 HB3 -0.08 -0.06 -0.08 -0.04 1.80 1.53 1o60B1 ARG 168 HG2 -0.15 -0.12 -0.07 -0.04 1.67 1.29 1o60B1 ARG 168 HG3 -0.10 0.11 0.02 -0.04 1.67 1.65 1o60B1 ARG 168 HD2 -0.07 0.16 -0.05 -0.04 3.22 3.23 1o60B1 ARG 168 HD3 -0.01 0.11 -0.28 -0.04 3.22 2.98 1o60B1 GLY 169 H 0.05 -0.01 -0.04 -0.55 8.43 7.88 1o60B1 GLY 169 HA2 0.04 -0.03 0.36 -0.51 4.01 3.87 1o60B1 GLY 169 HA3 0.07 0.19 0.63 -0.51 4.01 4.39 1o60B1 THR 170 H 0.02 0.61 0.36 -0.55 8.28 8.72 1o60B1 THR 170 HA 0.02 0.23 1.03 -0.75 4.39 4.93 1o60B1 THR 170 HB 0.01 -0.04 0.10 -0.04 4.32 4.35 1o60B1 THR 170 HG23 0.02 0.04 0.08 -0.04 1.22 1.33 1o60B1 ASN 171 H 0.09 0.58 0.28 -0.55 8.53 8.93 1o60B1 ASN 171 HA 0.12 0.15 0.61 -0.75 4.76 4.88 1o60B1 ASN 171 HB2 0.11 -0.02 0.10 -0.04 2.88 3.03 1o60B1 ASN 171 HB3 0.09 0.05 0.01 -0.04 2.79 2.90 1o60B1 ASN 171 HD21 0.15 -0.06 -0.04 -0.04 7.03 7.03 1o60B1 ASN 171 HD22 0.12 0.10 0.01 -0.04 7.74 7.93 1o60B1 PHE 172 H 0.17 0.65 0.08 -0.55 8.34 8.69 1o60B1 PHE 172 HA -0.01 0.08 0.77 -0.75 4.62 4.71 1o60B1 PHE 172 HB2 0.01 0.03 -0.21 -0.04 3.15 2.94 1o60B1 PHE 172 HB3 0.02 -0.03 -0.14 -0.04 3.06 2.86 1o60B1 PHE 172 HD2 -0.00 0.04 -0.04 -0.04 7.28 7.24 1o60B1 PHE 172 HE2 -0.00 -0.01 -0.05 -0.04 7.38 7.27 1o60B1 PHE 172 HZ -0.01 -0.02 -0.04 -0.04 7.32 7.21 1o60B1 GLY 173 H -0.19 0.10 -0.01 -0.55 8.43 7.79 1o60B1 GLY 173 HA2 -0.36 -0.01 0.26 -0.51 4.01 3.40 1o60B1 GLY 173 HA3 -0.31 0.11 0.28 -0.51 4.01 3.58 1o60B1 TYR 174 H -0.12 0.09 0.14 -0.55 8.29 7.84 1o60B1 TYR 174 HA -0.00 0.08 0.71 -0.75 4.56 4.60 1o60B1 TYR 174 HB2 -0.02 0.01 0.12 -0.04 3.06 3.13 1o60B1 TYR 174 HB3 -0.00 0.03 -0.00 -0.04 2.98 2.96 1o60B1 TYR 174 HD2 -0.02 0.02 0.02 -0.04 7.15 7.13 1o60B1 TYR 174 HE2 -0.02 0.01 -0.01 -0.04 6.85 6.78 1o60B1 ASP 175 H 0.17 0.09 0.15 -0.55 8.40 8.26 1o60B1 ASP 175 HA 0.10 0.00 0.34 -0.75 4.63 4.32 1o60B1 ASP 175 HB2 0.08 0.09 0.00 -0.04 2.71 2.84 1o60B1 ASP 175 HB3 0.07 0.01 0.17 -0.04 2.70 2.90 1o60B1 ASN 176 H 0.11 0.23 -0.17 -0.55 8.53 8.14 1o60B1 ASN 176 HA 0.10 0.06 0.55 -0.75 4.76 4.72 1o60B1 ASN 176 HB2 0.10 0.11 -0.13 -0.04 2.88 2.92 1o60B1 ASN 176 HB3 0.14 0.30 -0.05 -0.04 2.79 3.15 1o60B1 ASN 176 HD21 0.20 -0.05 -0.02 -0.04 7.03 7.12 1o60B1 ASN 176 HD22 0.23 0.00 -0.04 -0.04 7.74 7.90 1o60B1 LEU 177 H 0.10 0.21 0.19 -0.55 8.37 8.33 1o60B1 LEU 177 HA 0.12 0.32 1.10 -0.75 4.35 5.14 1o60B1 LEU 177 HB2 0.07 -0.01 -0.00 -0.04 1.64 1.66 1o60B1 LEU 177 HB3 0.07 0.00 -0.05 -0.04 1.64 1.62 1o60B1 LEU 177 HG 0.09 -0.16 -0.38 -0.04 1.64 1.14 1o60B1 LEU 177 HD13 0.07 -0.00 -0.06 -0.04 0.93 0.90 1o60B1 LEU 177 HD23 0.09 -0.00 -0.33 -0.04 0.89 0.60 1o60B1 ILE 178 H 0.04 0.64 0.32 -0.55 8.25 8.70 1o60B1 ILE 178 HA -0.06 0.16 0.85 -0.75 4.18 4.38 1o60B1 ILE 178 HB -0.40 -0.00 -0.11 -0.04 1.89 1.34 1o60B1 ILE 178 HG12 -0.17 0.07 -0.21 -0.04 1.49 1.13 1o60B1 ILE 178 HG13 -0.18 -0.01 0.08 -0.04 1.21 1.06 1o60B1 ILE 178 HG23 -0.14 0.01 -0.14 -0.04 0.93 0.62 1o60B1 ILE 178 HD13 -0.52 -0.01 -0.05 -0.04 0.88 0.26 1o60B1 VAL 179 H -0.02 0.21 0.14 -0.55 8.24 8.02 1o60B1 VAL 179 HA -0.02 0.07 0.95 -0.75 4.13 4.37 1o60B1 VAL 179 HB 0.03 0.02 0.12 -0.04 2.12 2.24 1o60B1 VAL 179 HG13 -0.16 -0.01 -0.14 -0.04 0.97 0.61 1o60B1 VAL 179 HG23 0.26 0.01 -0.11 -0.04 0.95 1.07 1o60B1 ASP 180 H -0.13 0.18 0.07 -0.55 8.40 7.97 1o60B1 ASP 180 HA -0.09 0.21 0.52 -0.75 4.63 4.52 1o60B1 ASP 180 HB2 -0.09 0.04 -0.03 -0.04 2.71 2.60 1o60B1 ASP 180 HB3 -0.15 -0.02 0.08 -0.04 2.70 2.58 1o60B1 LEU 182 HA 0.01 0.03 0.32 -0.75 4.35 3.96 1o60B1 LEU 182 HB2 -0.04 -0.04 -0.05 -0.04 1.64 1.47 1o60B1 LEU 182 HB3 -0.02 -0.00 0.05 -0.04 1.64 1.63 1o60B1 LEU 182 HG -0.02 -0.01 0.11 -0.04 1.64 1.69 1o60B1 LEU 182 HD13 -0.02 -0.00 0.02 -0.04 0.93 0.89 1o60B1 LEU 182 HD23 -0.00 0.02 0.07 -0.04 0.89 0.93 1o60B1 GLY 183 H -0.16 0.55 -0.73 -0.55 8.43 7.54 1o60B1 GLY 183 HA2 -0.11 -0.04 0.34 -0.51 4.01 3.70 1o60B1 GLY 183 HA3 -0.24 0.03 0.33 -0.51 4.01 3.63 1o60B1 PHE 184 H -0.11 0.15 -0.14 -0.55 8.34 7.69 1o60B1 PHE 184 HA -0.04 0.06 0.36 -0.75 4.62 4.24 1o60B1 PHE 184 HB2 -0.06 -0.01 0.04 -0.04 3.15 3.08 1o60B1 PHE 184 HB3 -0.03 0.11 -0.01 -0.04 3.06 3.08 1o60B1 PHE 184 HD2 -0.08 0.04 -0.09 -0.04 7.28 7.10 1o60B1 PHE 184 HE2 -0.22 0.01 -0.15 -0.04 7.38 6.97 1o60B1 PHE 184 HZ -0.60 -0.09 -0.08 -0.04 7.32 6.51 1o60B1 SER 185 H 0.10 0.08 -0.19 -0.55 8.46 7.90 1o60B1 SER 185 HA 0.06 0.10 0.25 -0.75 4.49 4.15 1o60B1 SER 185 HB2 0.02 -0.04 0.02 -0.04 3.95 3.92 1o60B1 SER 185 HB3 0.04 0.02 0.09 -0.04 3.93 4.04 1o60B1 VAL 186 H -0.01 0.22 -0.30 -0.55 8.24 7.60 1o60B1 VAL 186 HA -0.00 -0.01 0.30 -0.75 4.13 3.66 1o60B1 VAL 186 HB -0.04 0.13 0.12 -0.04 2.12 2.29 1o60B1 VAL 186 HG13 -0.02 -0.03 -0.01 -0.04 0.97 0.87 1o60B1 VAL 186 HG23 -0.02 0.03 0.00 -0.04 0.95 0.92 1o60B1 LYS 188 HA 0.03 -0.03 0.31 -0.75 4.32 3.88 1o60B1 LYS 188 HB2 0.03 0.12 0.10 -0.04 1.87 2.08 1o60B1 LYS 188 HB3 0.03 -0.07 -0.05 -0.04 1.79 1.65 1o60B1 LYS 188 HG2 0.05 -0.01 0.06 -0.04 1.46 1.52 1o60B1 LYS 188 HG3 0.08 0.22 0.02 -0.04 1.46 1.74 1o60B1 LYS 188 HD2 0.04 -0.04 -0.04 -0.04 1.69 1.61 1o60B1 LYS 188 HD3 0.03 -0.04 -0.03 -0.04 1.68 1.61 1o60B1 LYS 188 HE2 0.04 -0.08 0.06 -0.04 2.99 2.97 1o60B1 LYS 188 HE3 0.07 -0.13 -0.14 -0.04 2.99 2.76 1o60B1 LYS 189 H 0.01 0.61 -0.58 -0.55 8.42 7.90 1o60B1 LYS 189 HA 0.01 0.03 0.53 -0.75 4.32 4.13 1o60B1 LYS 189 HB2 0.01 -0.01 0.09 -0.04 1.87 1.92 1o60B1 LYS 189 HB3 0.00 0.09 0.19 -0.04 1.79 2.04 1o60B1 LYS 189 HG2 0.00 -0.03 -0.05 -0.04 1.46 1.34 1o60B1 LYS 189 HG3 0.00 -0.02 0.01 -0.04 1.46 1.41 1o60B1 LYS 189 HD2 0.00 -0.07 -0.00 -0.04 1.69 1.58 1o60B1 LYS 189 HD3 0.00 0.01 0.01 -0.04 1.68 1.67 1o60B1 LYS 189 HE2 0.00 0.01 -0.01 -0.04 2.99 2.95 1o60B1 LYS 189 HE3 0.00 -0.08 -0.01 -0.04 2.99 2.86 1o60B1 ALA 190 H -0.00 0.76 0.33 -0.55 8.40 8.95 1o60B1 ALA 190 HA -0.00 -0.02 0.35 -0.75 4.34 3.92 1o60B1 ALA 190 HB3 -0.01 0.01 0.19 -0.04 1.41 1.55 1o60B1 SER 191 H 0.00 0.19 -0.35 -0.55 8.46 7.76 1o60B1 SER 191 HA -0.00 0.12 0.72 -0.75 4.49 4.58 1o60B1 SER 191 HB2 0.00 -0.01 0.11 -0.04 3.95 4.01 1o60B1 SER 191 HB3 -0.00 0.02 -0.00 -0.04 3.93 3.90 1o60B1 LYS 192 H 0.01 0.38 -0.34 -0.55 8.42 7.92 1o60B1 LYS 192 HA 0.01 0.05 0.38 -0.75 4.32 4.00 1o60B1 LYS 192 HB2 0.01 0.16 -0.08 -0.04 1.87 1.92 1o60B1 LYS 192 HB3 0.01 -0.04 0.20 -0.04 1.79 1.92 1o60B1 LYS 192 HG2 0.00 0.02 0.03 -0.04 1.46 1.47 1o60B1 LYS 192 HG3 0.00 0.03 -0.24 -0.04 1.46 1.22 1o60B1 LYS 192 HD2 0.00 -0.00 -0.05 -0.04 1.69 1.60 1o60B1 LYS 192 HD3 0.00 -0.04 0.01 -0.04 1.68 1.61 1o60B1 LYS 192 HE2 0.00 -0.04 0.00 -0.04 2.99 2.91 1o60B1 LYS 192 HE3 0.00 0.05 -0.02 -0.04 2.99 2.99 1o60B1 GLY 193 H 0.01 0.54 0.02 -0.55 8.43 8.46 1o60B1 GLY 193 HA2 0.02 -0.03 0.25 -0.51 4.01 3.75 1o60B1 GLY 193 HA3 0.02 0.30 0.52 -0.51 4.01 4.34 1o60B1 SER 194 H 0.01 0.06 -0.17 -0.55 8.46 7.82 1o60B1 SER 194 HA 0.02 0.11 0.63 -0.75 4.49 4.49 1o60B1 SER 194 HB2 0.01 -0.13 0.01 -0.04 3.95 3.81 1o60B1 SER 194 HB3 0.01 0.13 0.01 -0.04 3.93 4.05 1o60B1 PRO 195 HA 0.05 -0.05 0.47 -0.51 4.44 4.40 1o60B1 PRO 195 HB2 0.05 -0.08 -0.06 -0.04 2.28 2.15 1o60B1 PRO 195 HB3 0.07 -0.04 -0.16 -0.04 2.02 1.85 1o60B1 PRO 195 HG2 0.05 -0.01 0.02 -0.04 2.03 2.04 1o60B1 PRO 195 HG3 0.04 0.21 0.12 -0.04 2.03 2.36 1o60B1 PRO 195 HD2 0.02 0.34 0.34 -0.04 3.68 4.34 1o60B1 PRO 195 HD3 0.03 0.15 0.29 -0.04 3.65 4.07 1o60B1 VAL 196 H 0.06 0.10 0.25 -0.55 8.24 8.10 1o60B1 VAL 196 HA 0.08 0.29 1.03 -0.75 4.13 4.77 1o60B1 VAL 196 HB 0.14 -0.04 0.19 -0.04 2.12 2.37 1o60B1 VAL 196 HG13 0.40 -0.03 -0.08 -0.04 0.97 1.23 1o60B1 VAL 196 HG23 0.08 0.10 -0.06 -0.04 0.95 1.04 1o60B1 ILE 197 H 0.09 0.79 0.42 -0.55 8.25 9.00 1o60B1 ILE 197 HA 0.13 0.21 0.95 -0.75 4.18 4.72 1o60B1 ILE 197 HB 0.14 -0.06 -0.32 -0.04 1.89 1.60 1o60B1 ILE 197 HG12 -0.09 0.16 -0.25 -0.04 1.49 1.28 1o60B1 ILE 197 HG13 -0.01 -0.14 -0.38 -0.04 1.21 0.64 1o60B1 ILE 197 HG23 0.04 0.01 -0.41 -0.04 0.93 0.53 1o60B1 ILE 197 HD13 -0.44 -0.01 -0.34 -0.04 0.88 0.06 1o60B1 PHE 198 H 0.26 0.52 0.20 -0.55 8.34 8.77 1o60B1 PHE 198 HA 0.20 0.17 1.00 -0.75 4.62 5.23 1o60B1 PHE 198 HB2 0.02 0.06 -0.08 -0.04 3.15 3.11 1o60B1 PHE 198 HB3 0.03 0.05 0.18 -0.04 3.06 3.28 1o60B1 PHE 198 HD2 0.12 0.07 -0.02 -0.04 7.28 7.40 1o60B1 PHE 198 HE2 0.08 0.03 -0.24 -0.04 7.38 7.21 1o60B1 PHE 198 HZ 0.08 -0.01 -0.15 -0.04 7.32 7.19 1o60B1 ASP 199 H 0.10 0.82 0.21 -0.55 8.40 8.98 1o60B1 ASP 199 HA 0.04 0.13 0.83 -0.75 4.63 4.87 1o60B1 ASP 199 HB2 -0.41 0.01 -0.08 -0.04 2.71 2.19 1o60B1 ASP 199 HB3 -0.12 0.12 0.10 -0.04 2.70 2.75 1o60B1 VAL 200 H -0.30 0.46 0.19 -0.55 8.24 8.04 1o60B1 VAL 200 HA -0.74 0.07 0.35 -0.75 4.13 3.05 1o60B1 VAL 200 HB -0.62 0.04 0.02 -0.04 2.12 1.52 1o60B1 VAL 200 HG13 -0.02 0.07 0.09 -0.04 0.97 1.07 1o60B1 VAL 200 HG23 -0.01 0.00 -0.05 -0.04 0.95 0.85 1o60B1 THR 201 H -0.11 0.19 -0.04 -0.55 8.28 7.77 1o60B1 THR 201 HA -0.12 0.15 0.19 -0.75 4.39 3.85 1o60B1 THR 201 HB -0.15 0.22 0.09 -0.04 4.32 4.44 1o60B1 THR 201 HG23 -0.09 -0.10 0.17 -0.04 1.22 1.16 1o60B1 HIS 202 H -0.12 0.09 -0.32 -0.55 8.41 7.52 1o60B1 HIS 202 HA -0.01 0.15 0.37 -0.75 4.63 4.39 1o60B1 HIS 202 HB2 -0.09 0.01 0.01 -0.04 3.26 3.15 1o60B1 HIS 202 HB3 -0.06 0.04 0.03 -0.04 3.20 3.18 1o60B1 HIS 202 HD2 -0.01 0.07 -0.10 -0.04 6.97 6.89 1o60B1 HIS 202 HE1 0.17 0.02 -0.14 -0.04 7.75 7.75 1o60B1 SER 203 H -0.03 0.25 -0.43 -0.55 8.46 7.71 1o60B1 SER 203 HA 0.08 0.26 0.35 -0.75 4.49 4.42 1o60B1 SER 203 HB2 0.05 0.10 -0.07 -0.04 3.95 3.98 1o60B1 SER 203 HB3 0.19 -0.14 -0.12 -0.04 3.93 3.82 1o60B1 LEU 204 H 0.01 0.31 -0.56 -0.55 8.37 7.58 1o60B1 LEU 204 HA 0.05 0.08 0.59 -0.75 4.35 4.31 1o60B1 LEU 204 HB2 -0.01 0.20 -0.07 -0.04 1.64 1.72 1o60B1 LEU 204 HB3 0.02 -0.10 -0.32 -0.04 1.64 1.20 1o60B1 LEU 204 HG 0.02 0.09 -0.19 -0.04 1.64 1.53 1o60B1 LEU 204 HD13 0.00 -0.02 -0.11 -0.04 0.93 0.75 1o60B1 LEU 204 HD23 0.05 -0.03 -0.19 -0.04 0.89 0.69 1o60B1 GLN 205 H 0.06 0.30 -0.49 -0.55 8.47 7.79 1o60B1 GLN 205 HA 0.07 0.01 0.08 -0.75 4.36 3.77 1o60B1 GLN 205 HB2 0.04 0.03 -0.33 -0.04 2.15 1.85 1o60B1 GLN 205 HB3 0.05 0.00 0.16 -0.04 2.02 2.18 1o60B1 GLN 205 HG2 0.06 0.01 0.01 -0.04 2.40 2.44 1o60B1 GLN 205 HG3 0.07 -0.06 0.02 -0.04 2.39 2.38 1o60B1 GLN 205 HE21 0.04 -0.05 0.04 -0.04 6.97 6.96 1o60B1 GLN 205 HE22 0.05 0.03 0.05 -0.04 7.69 7.77 1o60B1 ARG 218 HA 0.01 -0.06 0.28 -0.75 4.34 3.82 1o60B1 ARG 218 HB2 0.01 0.14 0.12 -0.04 1.90 2.13 1o60B1 ARG 218 HB3 0.01 -0.08 -0.00 -0.04 1.80 1.69 1o60B1 ARG 218 HG2 0.03 0.10 -0.10 -0.04 1.67 1.65 1o60B1 ARG 218 HG3 0.03 -0.51 -0.08 -0.04 1.67 1.07 1o60B1 ARG 218 HD2 0.02 -0.00 0.02 -0.04 3.22 3.22 1o60B1 ARG 218 HD3 0.02 -0.01 0.10 -0.04 3.22 3.28 1o60B1 ALA 219 H 0.02 0.15 0.13 -0.55 8.40 8.15 1o60B1 ALA 219 HA 0.03 0.13 0.40 -0.75 4.34 4.15 1o60B1 ALA 219 HB3 0.02 0.01 0.09 -0.04 1.41 1.49 1o60B1 GLN 220 H 0.03 0.11 -0.31 -0.55 8.47 7.75 1o60B1 GLN 220 HA 0.04 0.19 0.98 -0.75 4.36 4.82 1o60B1 GLN 220 HB2 0.04 0.06 0.00 -0.04 2.15 2.21 1o60B1 GLN 220 HB3 0.05 -0.02 0.12 -0.04 2.02 2.12 1o60B1 GLN 220 HG2 0.03 0.03 0.00 -0.04 2.40 2.43 1o60B1 GLN 220 HG3 0.03 0.04 -0.08 -0.04 2.39 2.33 1o60B1 GLN 220 HE21 0.02 0.03 -0.02 -0.04 6.97 6.96 1o60B1 GLN 220 HE22 0.02 -0.03 -0.19 -0.04 7.69 7.46 1o60B1 VAL 221 H 0.05 0.52 -0.27 -0.55 8.24 7.99 1o60B1 VAL 221 HA 0.07 0.07 0.31 -0.75 4.13 3.83 1o60B1 VAL 221 HB 0.08 -0.00 -0.01 -0.04 2.12 2.15 1o60B1 VAL 221 HG13 0.04 -0.01 -0.09 -0.04 0.97 0.88 1o60B1 VAL 221 HG23 -0.00 0.14 0.08 -0.04 0.95 1.13 1o60B1 THR 222 H 0.13 0.18 -0.26 -0.55 8.28 7.79 1o60B1 THR 222 HA 0.19 0.13 0.51 -0.75 4.39 4.46 1o60B1 THR 222 HB 0.05 -0.01 0.06 -0.04 4.32 4.37 1o60B1 THR 222 HG23 -0.12 0.02 -0.05 -0.04 1.22 1.02 1o60B1 GLU 223 H 0.05 0.13 -0.14 -0.55 8.60 8.09 1o60B1 GLU 223 HA -0.01 0.08 0.40 -0.75 4.29 4.02 1o60B1 GLU 223 HB2 0.01 0.03 0.06 -0.04 2.09 2.15 1o60B1 GLU 223 HB3 0.01 0.00 0.10 -0.04 1.99 2.06 1o60B1 GLU 223 HG2 0.04 0.05 0.13 -0.04 2.34 2.52 1o60B1 GLU 223 HG3 0.03 0.03 -0.11 -0.04 2.34 2.26 1o60B1 LEU 224 H 0.08 0.50 -0.24 -0.55 8.37 8.16 1o60B1 LEU 224 HA 0.11 0.04 0.46 -0.75 4.35 4.20 1o60B1 LEU 224 HB2 0.11 -0.01 0.05 -0.04 1.64 1.75 1o60B1 LEU 224 HB3 0.14 0.08 0.06 -0.04 1.64 1.87 1o60B1 LEU 224 HG 0.48 -0.02 -0.19 -0.04 1.64 1.87 1o60B1 LEU 224 HD13 0.15 -0.02 0.01 -0.04 0.93 1.03 1o60B1 LEU 224 HD23 0.18 0.01 -0.13 -0.04 0.89 0.91 1o60B1 ALA 225 H 0.14 0.53 -0.17 -0.55 8.40 8.35 1o60B1 ALA 225 HA 0.29 -0.02 0.46 -0.75 4.34 4.31 1o60B1 ALA 225 HB3 0.12 0.02 0.12 -0.04 1.41 1.63 1o60B1 ARG 226 H -0.03 0.51 -0.19 -0.55 8.46 8.20 1o60B1 ARG 226 HA -0.12 0.04 0.31 -0.75 4.34 3.81 1o60B1 ARG 226 HB2 -0.04 0.06 0.10 -0.04 1.90 1.98 1o60B1 ARG 226 HB3 -0.07 -0.02 -0.02 -0.04 1.80 1.65 1o60B1 ARG 226 HG2 -0.17 -0.00 0.02 -0.04 1.67 1.48 1o60B1 ARG 226 HG3 -0.13 0.16 0.01 -0.04 1.67 1.68 1o60B1 ARG 226 HD2 -0.07 0.01 0.00 -0.04 3.22 3.12 1o60B1 ARG 226 HD3 -0.09 -0.03 -0.01 -0.04 3.22 3.05 1o60B1 SER 227 H 0.02 0.47 -0.24 -0.55 8.46 8.16 1o60B1 SER 227 HA -0.03 0.01 0.42 -0.75 4.49 4.15 1o60B1 SER 227 HB2 0.01 0.03 0.14 -0.04 3.95 4.09 1o60B1 SER 227 HB3 0.04 0.13 0.20 -0.04 3.93 4.25 1o60B1 GLY 228 H 0.05 0.43 -0.26 -0.55 8.43 8.11 1o60B1 GLY 228 HA2 -0.32 -0.00 0.21 -0.51 4.01 3.39 1o60B1 GLY 228 HA3 -0.18 0.00 0.24 -0.51 4.01 3.56 1o60B1 LEU 229 H -0.06 0.56 -0.05 -0.55 8.37 8.27 1o60B1 LEU 229 HA -0.16 0.00 0.49 -0.75 4.35 3.93 1o60B1 LEU 229 HB2 -0.18 0.06 0.08 -0.04 1.64 1.57 1o60B1 LEU 229 HB3 -0.21 -0.03 -0.03 -0.04 1.64 1.33 1o60B1 LEU 229 HG -0.16 -0.01 -0.01 -0.04 1.64 1.42 1o60B1 LEU 229 HD13 -0.66 -0.02 -0.12 -0.04 0.93 0.08 1o60B1 LEU 229 HD23 -0.26 -0.01 -0.09 -0.04 0.89 0.48 1o60B1 ALA 230 H -0.08 0.53 -0.34 -0.55 8.40 7.96 1o60B1 ALA 230 HA -0.04 0.03 0.33 -0.75 4.34 3.90 1o60B1 ALA 230 HB3 -0.02 -0.00 0.05 -0.04 1.41 1.39 1o60B1 VAL 231 H -0.12 0.30 -0.45 -0.55 8.24 7.42 1o60B1 VAL 231 HA -0.03 -0.02 0.53 -0.75 4.13 3.85 1o60B1 VAL 231 HB -0.28 0.14 0.02 -0.04 2.12 1.96 1o60B1 VAL 231 HG13 0.00 -0.02 -0.11 -0.04 0.97 0.80 1o60B1 VAL 231 HG23 -0.04 -0.00 0.01 -0.04 0.95 0.88 1o60B1 GLY 232 H -0.12 0.23 -0.25 -0.55 8.43 7.75 1o60B1 GLY 232 HA2 -0.04 0.04 0.36 -0.51 4.01 3.86 1o60B1 GLY 232 HA3 -0.02 0.13 0.79 -0.51 4.01 4.40 1o60B1 ILE 233 H -0.06 0.17 0.24 -0.55 8.25 8.04 1o60B1 ILE 233 HA -0.04 0.18 0.96 -0.75 4.18 4.52 1o60B1 ILE 233 HB -0.12 0.10 0.18 -0.04 1.89 2.01 1o60B1 ILE 233 HG12 -0.21 0.02 -0.00 -0.04 1.49 1.25 1o60B1 ILE 233 HG13 -0.05 -0.02 -0.11 -0.04 1.21 0.99 1o60B1 ILE 233 HG23 -0.58 -0.03 -0.26 -0.04 0.93 0.03 1o60B1 ILE 233 HD13 -0.26 -0.03 -0.12 -0.04 0.88 0.43 1o60B1 ALA 234 H 0.05 0.45 0.32 -0.55 8.40 8.67 1o60B1 ALA 234 HA 0.11 0.40 0.66 -0.75 4.34 4.75 1o60B1 ALA 234 HB3 0.10 -0.05 -0.19 -0.04 1.41 1.22 1o60B1 GLY 235 H 0.16 0.24 0.12 -0.55 8.43 8.41 1o60B1 GLY 235 HA2 0.48 0.07 0.56 -0.51 4.01 4.61 1o60B1 GLY 235 HA3 0.48 0.07 0.35 -0.51 4.01 4.40 1o60B1 LEU 236 H 0.53 0.65 0.33 -0.55 8.37 9.33 1o60B1 LEU 236 HA 0.25 0.12 0.93 -0.75 4.35 4.90 1o60B1 LEU 236 HB2 0.13 0.04 -0.11 -0.04 1.64 1.65 1o60B1 LEU 236 HB3 0.40 0.01 0.03 -0.04 1.64 2.04 1o60B1 LEU 236 HG 0.21 -0.02 -0.21 -0.04 1.64 1.58 1o60B1 LEU 236 HD13 0.09 0.05 0.11 -0.04 0.93 1.13 1o60B1 LEU 236 HD23 0.23 0.00 -0.10 -0.04 0.89 0.99 1o60B1 PHE 237 H 0.24 0.73 0.32 -0.55 8.34 9.08 1o60B1 PHE 237 HA 0.15 0.40 0.90 -0.75 4.62 5.31 1o60B1 PHE 237 HB2 -0.01 -0.00 -0.20 -0.04 3.15 2.89 1o60B1 PHE 237 HB3 -0.02 -0.17 0.09 -0.04 3.06 2.92 1o60B1 PHE 237 HD2 -0.08 -0.06 -0.25 -0.04 7.28 6.84 1o60B1 PHE 237 HE2 0.02 -0.01 -0.23 -0.04 7.38 7.11 1o60B1 PHE 237 HZ -0.02 -0.03 -0.22 -0.04 7.32 7.00 1o60B1 LEU 238 H -0.16 0.79 0.35 -0.55 8.37 8.80 1o60B1 LEU 238 HA -0.01 -0.01 0.91 -0.75 4.35 4.48 1o60B1 LEU 238 HB2 0.07 0.02 -0.28 -0.04 1.64 1.41 1o60B1 LEU 238 HB3 0.08 0.01 -0.03 -0.04 1.64 1.66 1o60B1 LEU 238 HG -0.10 0.05 -0.29 -0.04 1.64 1.26 1o60B1 LEU 238 HD13 -0.34 -0.02 0.00 -0.04 0.93 0.53 1o60B1 LEU 238 HD23 -0.19 0.00 -0.15 -0.04 0.89 0.51 1o60B1 GLU 239 H -0.08 0.17 0.19 -0.55 8.60 8.34 1o60B1 GLU 239 HA -0.04 0.23 0.96 -0.75 4.29 4.68 1o60B1 GLU 239 HB2 -0.08 -0.09 0.01 -0.04 2.09 1.90 1o60B1 GLU 239 HB3 -0.00 0.14 -0.06 -0.04 1.99 2.02 1o60B1 GLU 239 HG2 -0.06 0.08 -0.44 -0.04 2.34 1.88 1o60B1 GLU 239 HG3 -0.01 -0.13 -0.41 -0.04 2.34 1.74 1o60B1 ALA 240 H 0.09 0.81 0.40 -0.55 8.40 9.15 1o60B1 ALA 240 HA -0.00 0.06 0.84 -0.75 4.34 4.49 1o60B1 ALA 240 HB3 -0.03 -0.00 -0.08 -0.04 1.41 1.26 1o60B1 HIS 241 H 0.07 0.61 0.20 -0.55 8.41 8.75 1o60B1 HIS 241 HA 0.03 0.16 0.50 -0.75 4.63 4.57 1o60B1 HIS 241 HB2 0.01 0.14 -0.28 -0.04 3.26 3.10 1o60B1 HIS 241 HB3 0.00 -0.05 -0.16 -0.04 3.20 2.94 1o60B1 HIS 241 HD2 0.04 0.08 0.03 -0.04 6.97 7.08 1o60B1 HIS 241 HE1 0.00 0.03 -0.14 -0.04 7.75 7.60 1o60B1 PRO 242 HA 0.00 -0.02 0.51 -0.51 4.44 4.42 1o60B1 PRO 242 HB2 -0.01 0.04 -0.01 -0.04 2.28 2.26 1o60B1 PRO 242 HB3 -0.03 0.05 0.08 -0.04 2.02 2.08 1o60B1 PRO 242 HG2 -0.18 0.07 0.02 -0.04 2.03 1.89 1o60B1 PRO 242 HG3 -0.10 0.08 0.00 -0.04 2.03 1.97 1o60B1 PRO 242 HD2 -1.06 0.11 0.14 -0.04 3.68 2.83 1o60B1 PRO 242 HD3 -0.25 0.20 0.13 -0.04 3.65 3.68 1o60B1 ASN 243 H 0.59 0.13 -0.33 -0.55 8.53 8.36 1o60B1 ASN 243 HA 0.07 0.21 0.76 -0.75 4.76 5.05 1o60B1 ASN 243 HB2 0.16 0.00 0.03 -0.04 2.88 3.04 1o60B1 ASN 243 HB3 0.06 -0.09 0.08 -0.04 2.79 2.80 1o60B1 ASN 243 HD21 0.03 0.03 -0.10 -0.04 7.03 6.95 1o60B1 ASN 243 HD22 0.06 -0.06 -0.20 -0.04 7.74 7.49 1o60B1 PRO 244 HA -0.24 0.03 0.26 -0.51 4.44 3.98 1o60B1 PRO 244 HB2 -0.03 0.02 0.02 -0.04 2.28 2.25 1o60B1 PRO 244 HB3 -0.04 0.19 0.03 -0.04 2.02 2.15 1o60B1 PRO 244 HG2 -0.00 0.07 -0.04 -0.04 2.03 2.01 1o60B1 PRO 244 HG3 0.02 0.06 -0.26 -0.04 2.03 1.82 1o60B1 PRO 244 HD2 0.02 0.09 0.09 -0.04 3.68 3.84 1o60B1 PRO 244 HD3 0.08 0.30 -0.31 -0.04 3.65 3.68 1o60B1 ASN 245 H -0.03 0.06 -0.30 -0.55 8.53 7.71 1o60B1 ASN 245 HA -0.05 0.12 0.41 -0.75 4.76 4.49 1o60B1 ASN 245 HB2 -0.01 -0.04 -0.00 -0.04 2.88 2.78 1o60B1 ASN 245 HB3 -0.02 0.01 0.03 -0.04 2.79 2.78 1o60B1 ASN 245 HD21 -0.01 0.04 0.00 -0.04 7.03 7.02 1o60B1 ASN 245 HD22 -0.01 -0.04 0.01 -0.04 7.74 7.65 1o60B1 GLN 246 H -0.07 0.54 -0.22 -0.55 8.47 8.18 1o60B1 GLN 246 HA -0.03 0.21 0.88 -0.75 4.36 4.66 1o60B1 GLN 246 HB2 0.03 0.01 0.00 -0.04 2.15 2.16 1o60B1 GLN 246 HB3 0.01 -0.04 0.07 -0.04 2.02 2.02 1o60B1 GLN 246 HG2 -0.00 0.02 -0.05 -0.04 2.40 2.33 1o60B1 GLN 246 HG3 -0.00 -0.08 -0.24 -0.04 2.39 2.03 1o60B1 GLN 246 HE21 0.02 -0.01 -0.03 -0.04 6.97 6.90 1o60B1 GLN 246 HE22 0.01 -0.01 -0.06 -0.04 7.69 7.59 1o60B1 ALA 247 H -0.30 0.26 -0.22 -0.55 8.40 7.60 1o60B1 ALA 247 HA -0.15 -0.10 0.37 -0.75 4.34 3.70 1o60B1 ALA 247 HB3 -0.42 -0.01 0.05 -0.04 1.41 0.99 1o60B1 LYS 248 H 0.02 0.04 0.16 -0.55 8.42 8.09 1o60B1 LYS 248 HA -0.05 0.11 0.41 -0.75 4.32 4.04 1o60B1 LYS 248 HB2 -0.10 -0.07 0.09 -0.04 1.87 1.76 1o60B1 LYS 248 HB3 -0.21 -0.05 -0.04 -0.04 1.79 1.45 1o60B1 LYS 248 HG2 -0.25 0.01 0.06 -0.04 1.46 1.23 1o60B1 LYS 248 HG3 -0.14 0.04 0.08 -0.04 1.46 1.39 1o60B1 LYS 248 HD2 -0.72 -0.03 0.03 -0.04 1.69 0.93 1o60B1 LYS 248 HD3 -1.14 -0.04 0.03 -0.04 1.68 0.49 1o60B1 LYS 248 HE2 -0.22 -0.02 0.02 -0.04 2.99 2.73 1o60B1 LYS 248 HE3 -0.14 -0.01 0.01 -0.04 2.99 2.81 1o60B1 CYS 249 H 0.08 0.01 -0.17 -0.55 8.50 7.88 1o60B1 CYS 249 HA 0.08 0.12 0.80 -0.75 4.58 4.83 1o60B1 CYS 249 HB2 0.11 -0.05 -0.03 -0.04 2.97 2.95 1o60B1 CYS 249 HB3 0.07 0.10 -0.10 -0.04 2.97 3.01 1o60B1 ASP 250 H 0.04 0.07 0.03 -0.55 8.40 7.99 1o60B1 ASP 250 HA -0.01 0.07 0.29 -0.75 4.63 4.24 1o60B1 ASP 250 HB2 0.03 -0.00 0.08 -0.04 2.71 2.77 1o60B1 ASP 250 HB3 0.01 0.02 0.06 -0.04 2.70 2.75 1o60B1 GLY 251 H -0.03 0.23 -0.01 -0.55 8.43 8.07 1o60B1 GLY 251 HA2 0.00 0.12 0.51 -0.51 4.01 4.13 1o60B1 GLY 251 HA3 -0.03 0.03 0.37 -0.51 4.01 3.87 1o60B1 PRO 252 HA -0.01 0.09 0.42 -0.51 4.44 4.42 1o60B1 PRO 252 HB2 0.01 0.08 -0.03 -0.04 2.28 2.29 1o60B1 PRO 252 HB3 0.01 -0.01 0.06 -0.04 2.02 2.03 1o60B1 PRO 252 HG2 0.01 0.11 -0.11 -0.04 2.03 2.01 1o60B1 PRO 252 HG3 0.02 0.02 -0.03 -0.04 2.03 2.00 1o60B1 PRO 252 HD2 0.01 0.17 -0.09 -0.04 3.68 3.74 1o60B1 PRO 252 HD3 0.01 0.04 -0.27 -0.04 3.65 3.39 1o60B1 SER 253 H -0.02 0.02 -0.40 -0.55 8.46 7.51 1o60B1 SER 253 HA -0.02 0.36 0.78 -0.75 4.49 4.85 1o60B1 SER 253 HB2 -0.02 0.02 -0.86 -0.04 3.95 3.06 1o60B1 SER 253 HB3 -0.07 -0.00 0.12 -0.04 3.93 3.94 1o60B1 ALA 254 H -0.04 0.20 -0.39 -0.55 8.40 7.63 1o60B1 ALA 254 HA -0.05 0.12 0.41 -0.75 4.34 4.06 1o60B1 ALA 254 HB3 -0.01 -0.03 -0.10 -0.04 1.41 1.23 1o60B1 LEU 255 H -0.08 0.51 0.43 -0.55 8.37 8.68 1o60B1 LEU 255 HA -0.07 0.16 0.52 -0.75 4.35 4.21 1o60B1 LEU 255 HB2 -0.23 0.04 0.13 -0.04 1.64 1.53 1o60B1 LEU 255 HB3 -0.18 -0.08 0.06 -0.04 1.64 1.40 1o60B1 LEU 255 HG -0.12 0.12 -0.11 -0.04 1.64 1.49 1o60B1 LEU 255 HD13 -0.10 -0.00 0.00 -0.04 0.93 0.79 1o60B1 LEU 255 HD23 -0.46 -0.02 -0.18 -0.04 0.89 0.18 1o60B1 PRO 256 HA 0.00 0.22 0.58 -0.51 4.44 4.73 1o60B1 PRO 256 HB2 -0.02 -0.15 0.06 -0.04 2.28 2.13 1o60B1 PRO 256 HB3 -0.00 0.07 0.16 -0.04 2.02 2.21 1o60B1 PRO 256 HG2 -0.01 -0.00 0.11 -0.04 2.03 2.09 1o60B1 PRO 256 HG3 -0.01 0.09 0.13 -0.04 2.03 2.20 1o60B1 PRO 256 HD2 -0.04 0.03 0.21 -0.04 3.68 3.85 1o60B1 PRO 256 HD3 -0.03 0.32 0.27 -0.04 3.65 4.18 1o60B1 LEU 257 H -0.01 0.41 0.18 -0.55 8.37 8.40 1o60B1 LEU 257 HA -0.13 0.09 0.27 -0.75 4.35 3.83 1o60B1 LEU 257 HB2 -0.03 -0.00 -0.21 -0.04 1.64 1.36 1o60B1 LEU 257 HB3 -0.05 0.01 0.04 -0.04 1.64 1.60 1o60B1 LEU 257 HG -0.12 -0.00 -0.00 -0.04 1.64 1.48 1o60B1 LEU 257 HD13 -0.11 0.01 -0.08 -0.04 0.93 0.71 1o60B1 LEU 257 HD23 -0.04 0.01 -0.08 -0.04 0.89 0.74 1o60B1 SER 258 H -0.03 0.11 -0.22 -0.55 8.46 7.76 1o60B1 SER 258 HA -0.04 0.09 0.32 -0.75 4.49 4.10 1o60B1 SER 258 HB2 -0.02 0.02 0.06 -0.04 3.95 3.97 1o60B1 SER 258 HB3 -0.02 0.01 0.09 -0.04 3.93 3.97 1o60B1 ALA 259 H -0.05 0.50 -0.38 -0.55 8.40 7.93 1o60B1 ALA 259 HA 0.00 0.10 0.73 -0.75 4.34 4.42 1o60B1 ALA 259 HB3 0.00 0.03 0.07 -0.04 1.41 1.47 1o60B1 LEU 260 H -0.10 0.49 -0.28 -0.55 8.37 7.94 1o60B1 LEU 260 HA -0.07 0.02 0.26 -0.75 4.35 3.81 1o60B1 LEU 260 HB2 -0.20 0.23 0.12 -0.04 1.64 1.75 1o60B1 LEU 260 HB3 -0.21 0.02 -0.15 -0.04 1.64 1.25 1o60B1 LEU 260 HG -0.35 -0.00 -0.05 -0.04 1.64 1.20 1o60B1 LEU 260 HD13 -1.02 0.01 -0.11 -0.04 0.93 -0.24 1o60B1 LEU 260 HD23 -0.33 -0.01 -0.08 -0.04 0.89 0.44 1o60B1 GLU 261 H -0.04 0.19 -0.17 -0.55 8.60 8.03 1o60B1 GLU 261 HA -0.01 0.13 0.43 -0.75 4.29 4.09 1o60B1 GLU 261 HB2 -0.03 0.01 0.08 -0.04 2.09 2.11 1o60B1 GLU 261 HB3 -0.01 -0.02 0.05 -0.04 1.99 1.97 1o60B1 GLU 261 HG2 -0.00 0.00 -0.14 -0.04 2.34 2.16 1o60B1 GLU 261 HG3 -0.01 0.06 0.03 -0.04 2.34 2.38 1o60B1 GLY 262 H 0.02 0.13 -0.21 -0.55 8.43 7.82 1o60B1 GLY 262 HA2 0.02 0.07 0.39 -0.51 4.01 3.97 1o60B1 GLY 262 HA3 0.03 0.02 0.29 -0.51 4.01 3.84 1o60B1 PHE 263 H 0.17 0.46 -0.15 -0.55 8.34 8.27 1o60B1 PHE 263 HA -0.01 -0.02 0.39 -0.75 4.62 4.23 1o60B1 PHE 263 HB2 -0.02 -0.01 0.04 -0.04 3.15 3.12 1o60B1 PHE 263 HB3 -0.02 0.06 0.10 -0.04 3.06 3.16 1o60B1 PHE 263 HD2 0.02 0.02 -0.19 -0.04 7.28 7.08 1o60B1 PHE 263 HE2 0.03 -0.01 -0.22 -0.04 7.38 7.13 1o60B1 PHE 263 HZ -0.00 -0.02 -0.06 -0.04 7.32 7.20 1o60B1 VAL 264 H 0.21 0.66 -0.04 -0.55 8.24 8.51 1o60B1 VAL 264 HA 0.21 0.01 0.29 -0.75 4.13 3.89 1o60B1 VAL 264 HB 0.09 0.03 0.03 -0.04 2.12 2.23 1o60B1 VAL 264 HG13 0.16 0.00 -0.08 -0.04 0.97 1.01 1o60B1 VAL 264 HG23 0.21 0.00 -0.02 -0.04 0.95 1.10 1o60B1 SER 265 H 0.04 0.34 -0.41 -0.55 8.46 7.89 1o60B1 SER 265 HA 0.02 0.04 0.40 -0.75 4.49 4.20 1o60B1 SER 265 HB2 0.01 0.03 0.11 -0.04 3.95 4.05 1o60B1 SER 265 HB3 0.00 0.04 0.18 -0.04 3.93 4.11 1o60B1 GLN 266 H -0.07 0.45 -0.18 -0.55 8.47 8.12 1o60B1 GLN 266 HA -0.07 -0.03 0.21 -0.75 4.36 3.72 1o60B1 GLN 266 HB2 -0.24 0.23 0.18 -0.04 2.15 2.28 1o60B1 GLN 266 HB3 -0.16 -0.10 0.12 -0.04 2.02 1.84 1o60B1 GLN 266 HG2 -0.06 -0.06 0.02 -0.04 2.40 2.26 1o60B1 GLN 266 HG3 -0.06 0.18 0.07 -0.04 2.39 2.54 1o60B1 GLN 266 HE21 -0.03 -0.08 -0.03 -0.04 6.97 6.79 1o60B1 GLN 266 HE22 -0.03 0.01 -0.03 -0.04 7.69 7.60 1o60B1 LYS 268 HA 0.29 -0.11 0.34 -0.75 4.32 4.09 1o60B1 LYS 268 HB2 0.16 0.03 0.09 -0.04 1.87 2.11 1o60B1 LYS 268 HB3 0.06 0.03 0.06 -0.04 1.79 1.91 1o60B1 LYS 268 HG2 0.05 -0.11 -0.06 -0.04 1.46 1.31 1o60B1 LYS 268 HG3 0.09 -0.00 0.05 -0.04 1.46 1.56 1o60B1 LYS 268 HD2 0.02 -0.00 -0.10 -0.04 1.69 1.57 1o60B1 LYS 268 HD3 0.02 -0.09 -0.01 -0.04 1.68 1.55 1o60B1 LYS 268 HE2 0.00 0.02 0.01 -0.04 2.99 2.98 1o60B1 LYS 268 HE3 -0.00 0.38 0.14 -0.04 2.99 3.46 1o60B1 ALA 269 H -0.01 0.55 -0.96 -0.55 8.40 7.43 1o60B1 ALA 269 HA -0.02 0.01 0.36 -0.75 4.34 3.94 1o60B1 ALA 269 HB3 -0.03 0.00 0.11 -0.04 1.41 1.45 1o60B1 ILE 270 H -0.08 0.65 0.29 -0.55 8.25 8.57 1o60B1 ILE 270 HA -0.07 0.00 0.40 -0.75 4.18 3.75 1o60B1 ILE 270 HB -0.14 0.06 0.07 -0.04 1.89 1.85 1o60B1 ILE 270 HG12 -0.08 0.08 0.11 -0.04 1.49 1.56 1o60B1 ILE 270 HG13 -0.10 -0.07 0.04 -0.04 1.21 1.04 1o60B1 ILE 270 HG23 -0.10 0.01 -0.22 -0.04 0.93 0.58 1o60B1 ILE 270 HD13 -0.05 -0.02 0.00 -0.04 0.88 0.78 1o60B1 ASP 271 H -0.09 0.17 -0.22 -0.55 8.40 7.71 1o60B1 ASP 271 HA -0.08 0.09 0.37 -0.75 4.63 4.26 1o60B1 ASP 271 HB2 -0.16 -0.04 0.06 -0.04 2.71 2.54 1o60B1 ASP 271 HB3 0.14 0.10 0.11 -0.04 2.70 3.01 1o60B1 ASP 272 H 0.00 0.71 -0.07 -0.55 8.40 8.49 1o60B1 ASP 272 HA -0.03 0.02 0.43 -0.75 4.63 4.29 1o60B1 ASP 272 HB2 -0.03 0.09 0.14 -0.04 2.71 2.87 1o60B1 ASP 272 HB3 -0.04 -0.09 -0.04 -0.04 2.70 2.49 1o60B1 LEU 273 H -0.12 0.45 -0.26 -0.55 8.37 7.90 1o60B1 LEU 273 HA -0.27 -0.02 0.44 -0.75 4.35 3.74 1o60B1 LEU 273 HB2 -0.13 0.22 0.22 -0.04 1.64 1.91 1o60B1 LEU 273 HB3 -0.22 0.06 0.18 -0.04 1.64 1.61 1o60B1 LEU 273 HG -0.09 -0.05 0.04 -0.04 1.64 1.51 1o60B1 LEU 273 HD13 0.02 -0.02 -0.01 -0.04 0.93 0.88 1o60B1 LEU 273 HD23 -0.39 -0.01 -0.02 -0.04 0.89 0.43 1o60B1 VAL 274 H -0.23 0.59 -0.00 -0.55 8.24 8.05 1o60B1 VAL 274 HA -0.50 -0.06 0.31 -0.75 4.13 3.13 1o60B1 VAL 274 HB -0.09 0.07 0.17 -0.04 2.12 2.22 1o60B1 VAL 274 HG13 0.01 0.01 -0.15 -0.04 0.97 0.81 1o60B1 VAL 274 HG23 -0.01 -0.03 0.07 -0.04 0.95 0.94 1o60B1 LYS 275 H -0.13 0.61 -0.16 -0.55 8.42 8.19 1o60B1 LYS 275 HA -0.03 0.05 0.35 -0.75 4.32 3.95 1o60B1 LYS 275 HB2 -0.04 0.02 0.03 -0.04 1.87 1.84 1o60B1 LYS 275 HB3 -0.01 -0.02 0.00 -0.04 1.79 1.72 1o60B1 LYS 275 HG2 -0.02 0.00 0.04 -0.04 1.46 1.43 1o60B1 LYS 275 HG3 0.02 -0.11 -0.19 -0.04 1.46 1.14 1o60B1 LYS 275 HD2 0.02 -0.01 -0.43 -0.04 1.69 1.22 1o60B1 LYS 275 HD3 0.00 -0.04 -0.05 -0.04 1.68 1.56 1o60B1 LYS 275 HE2 0.01 0.36 0.01 -0.04 2.99 3.33 1o60B1 LYS 275 HE3 -0.00 -0.18 0.03 -0.04 2.99 2.80 1o60B1 SER 276 H -0.23 0.38 -0.46 -0.55 8.46 7.60 1o60B1 SER 276 HA -0.04 0.02 0.54 -0.75 4.49 4.25 1o60B1 SER 276 HB2 -0.05 -0.17 0.10 -0.04 3.95 3.79 1o60B1 SER 276 HB3 -0.11 0.09 0.13 -0.04 3.93 3.99 1o60B1 PHE 277 H -0.15 0.40 -0.19 -0.55 8.34 7.85 1o60B1 PHE 277 HA -0.00 -0.04 0.46 -0.75 4.62 4.28 1o60B1 PHE 277 HB2 -0.01 0.22 0.14 -0.04 3.15 3.46 1o60B1 PHE 277 HB3 -0.01 0.01 -0.02 -0.04 3.06 3.00 1o60B1 PHE 277 HD2 -0.01 0.03 0.02 -0.04 7.28 7.28 1o60B1 PHE 277 HE2 -0.01 -0.07 -0.03 -0.04 7.38 7.23 1o60B1 PHE 277 HZ -0.01 -0.10 -0.05 -0.04 7.32 7.12 1o60B1 PRO 278 HA 0.06 0.06 0.55 -0.51 4.44 4.60 1o60B1 PRO 278 HB2 0.03 0.03 -0.02 -0.04 2.28 2.28 1o60B1 PRO 278 HB3 0.04 -0.02 0.13 -0.04 2.02 2.13 1o60B1 PRO 278 HG2 0.03 -0.04 0.07 -0.04 2.03 2.04 1o60B1 PRO 278 HG3 0.05 0.00 0.11 -0.04 2.03 2.16 1o60B1 PRO 278 HD2 0.10 0.02 0.20 -0.04 3.68 3.97 1o60B1 PRO 278 HD3 0.16 0.19 0.27 -0.04 3.65 4.23 1o60B1 GLU 279 H 0.04 0.06 0.14 -0.55 8.60 8.29 1o60B1 GLU 279 HA 0.04 0.11 0.42 -0.75 4.29 4.10 1o60B1 GLU 279 HB2 0.03 0.10 0.10 -0.04 2.09 2.28 1o60B1 GLU 279 HB3 0.02 -0.08 0.13 -0.04 1.99 2.02 1o60B1 GLU 279 HG2 0.01 -0.10 -0.50 -0.04 2.34 1.72 1o60B1 GLU 279 HG3 0.02 0.06 -0.08 -0.04 2.34 2.29 1o60B1 LEU 280 H 0.00 0.20 0.10 -0.55 8.37 8.13 1o60B1 LEU 280 HA -0.01 0.12 0.81 -0.75 4.35 4.52 1o60B1 LEU 280 HB2 -0.05 0.11 0.05 -0.04 1.64 1.70 1o60B1 LEU 280 HB3 -0.03 -0.03 0.17 -0.04 1.64 1.71 1o60B1 LEU 280 HG -0.03 0.02 -0.19 -0.04 1.64 1.41 1o60B1 LEU 280 HD13 -0.04 -0.00 -0.01 -0.04 0.93 0.84 1o60B1 LEU 280 HD23 -0.06 -0.02 -0.02 -0.04 0.89 0.75 1o60B1 ASP 281 H -0.00 0.20 0.02 -0.55 8.40 8.07 1o60B1 ASP 281 HA -0.00 0.08 0.72 -0.75 4.63 4.67 1o60B1 ASP 281 HB2 0.00 0.04 0.05 -0.04 2.71 2.76 1o60B1 ASP 281 HB3 -0.00 -0.01 0.12 -0.04 2.70 2.77 1o60B1 THR 282 H -0.01 0.15 0.06 -0.55 8.28 7.94 1o60B1 THR 282 HA -0.01 0.24 0.73 -0.75 4.39 4.60 1o60B1 THR 282 HB -0.01 -0.03 0.04 -0.04 4.32 4.28 1o60B1 THR 282 HG23 -0.02 0.04 -0.23 -0.04 1.22 0.98