============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 2 1.000 132.954 25.948 -63.828 -99.200 -91.000 PHE 3 1.000 130.333 34.025 -62.796 -99.200 -91.000 HIS 14 0.900 130.079 22.634 -26.528 -99.200 -91.000 PHE 17 1.000 133.942 20.797 -30.959 -99.200 -91.000 PHE 18 1.000 135.574 28.496 -27.096 -99.200 -91.000 TYR 25 0.840 135.434 21.154 -35.224 -99.200 -91.000 PHE 42 1.000 126.127 34.195 -52.363 -99.200 -91.000 TYR 44 0.840 125.077 23.112 -58.678 -99.200 -91.000 TYR 51 0.840 142.515 24.301 -45.204 -99.200 -91.000 PHE 70 1.000 135.781 31.918 -33.841 -99.200 -91.000 TYR 74 0.840 133.658 30.695 -48.173 -99.200 -91.000 PHE 79 1.000 128.055 25.681 -63.819 -99.200 -91.000 PHE 82 1.000 124.329 33.928 -64.733 -99.200 -91.000 HIS 97 0.900 107.949 12.768 -72.098 -99.200 -91.000 PHE 99 1.000 119.524 15.892 -76.097 -99.200 -91.000 PHE 109 1.000 114.261 17.028 -70.550 -99.200 -91.000 HIS 113 0.900 107.491 18.779 -78.889 -99.200 -91.000 PHE 121 1.000 112.493 8.067 -77.639 -99.200 -91.000 TYR 130 0.840 115.114 12.247 -78.882 -99.200 -91.000 HIS 158 0.900 117.706 19.968 -61.615 -99.200 -91.000 TYR 167 0.840 127.273 28.948 -86.292 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3hoyG1 MET 1 HA -0.34 -0.03 0.15 -0.75 4.52 3.54 3hoyG1 MET 1 HB2 0.05 -0.01 0.04 -0.04 2.15 2.19 3hoyG1 MET 1 HB3 0.14 -0.12 0.12 -0.04 2.03 2.12 3hoyG1 MET 1 HG2 0.15 0.12 -0.07 -0.04 2.63 2.78 3hoyG1 MET 1 HG3 0.16 -0.06 -0.07 -0.04 2.56 2.55 3hoyG1 MET 1 HE3 0.03 -0.05 -0.18 -0.04 2.10 1.86 3hoyG1 PHE 2 H 0.27 0.02 0.07 -0.55 8.34 8.15 3hoyG1 PHE 2 HA 0.09 -0.01 0.50 -0.75 4.62 4.45 3hoyG1 PHE 2 HB2 -0.07 -0.04 0.11 -0.04 3.15 3.11 3hoyG1 PHE 2 HB3 -0.03 0.01 -0.06 -0.04 3.06 2.94 3hoyG1 PHE 2 HD2 0.01 0.02 0.00 -0.04 7.28 7.27 3hoyG1 PHE 2 HE2 -0.24 -0.02 -0.03 -0.04 7.38 7.04 3hoyG1 PHE 2 HZ -0.34 -0.03 0.01 -0.04 7.32 6.91 3hoyG1 PHE 3 H 0.29 0.42 0.34 -0.55 8.34 8.83 3hoyG1 PHE 3 HA 0.12 0.34 1.30 -0.75 4.62 5.63 3hoyG1 PHE 3 HB2 0.08 -0.13 -0.06 -0.04 3.15 3.00 3hoyG1 PHE 3 HB3 0.07 -0.07 0.09 -0.04 3.06 3.10 3hoyG1 PHE 3 HD2 0.08 -0.14 -0.04 -0.04 7.28 7.14 3hoyG1 PHE 3 HE2 0.14 -0.05 -0.04 -0.04 7.38 7.39 3hoyG1 PHE 3 HZ 0.01 -0.07 -0.04 -0.04 7.32 7.18 3hoyG1 ILE 4 H 0.23 0.28 0.14 -0.55 8.25 8.35 3hoyG1 ILE 4 HA 0.09 0.26 1.06 -0.75 4.18 4.84 3hoyG1 ILE 4 HB 0.08 -0.01 0.14 -0.04 1.89 2.06 3hoyG1 ILE 4 HG12 0.05 0.03 -0.04 -0.04 1.49 1.49 3hoyG1 ILE 4 HG13 0.08 0.03 -0.17 -0.04 1.21 1.11 3hoyG1 ILE 4 HG23 0.02 -0.01 -0.12 -0.04 0.93 0.78 3hoyG1 ILE 4 HD13 0.03 -0.02 -0.06 -0.04 0.88 0.80 3hoyG1 LYS 5 H 0.01 0.34 0.15 -0.55 8.42 8.37 3hoyG1 LYS 5 HA -0.02 0.15 0.87 -0.75 4.32 4.56 3hoyG1 LYS 5 HB2 0.00 0.01 -0.10 -0.04 1.87 1.74 3hoyG1 LYS 5 HB3 -0.09 -0.06 -0.03 -0.04 1.79 1.57 3hoyG1 LYS 5 HG2 -0.07 -0.00 -0.12 -0.04 1.46 1.23 3hoyG1 LYS 5 HG3 -0.15 0.07 -0.26 -0.04 1.46 1.07 3hoyG1 LYS 5 HD2 -0.04 -0.02 0.08 -0.04 1.69 1.67 3hoyG1 LYS 5 HD3 -0.06 0.02 -0.03 -0.04 1.68 1.56 3hoyG1 LYS 5 HE2 0.10 -0.00 -0.05 -0.04 2.99 3.00 3hoyG1 LYS 5 HE3 -0.01 0.06 -0.01 -0.04 2.99 2.98 3hoyG1 ASP 6 H -0.06 0.19 0.15 -0.55 8.40 8.13 3hoyG1 ASP 6 HA -0.12 0.05 0.81 -0.75 4.63 4.62 3hoyG1 ASP 6 HB2 -0.04 -0.04 0.23 -0.04 2.71 2.82 3hoyG1 ASP 6 HB3 -0.04 0.10 0.07 -0.04 2.70 2.79 3hoyG1 LEU 7 H -0.29 0.16 0.12 -0.55 8.37 7.80 3hoyG1 LEU 7 HA -0.18 0.22 0.82 -0.75 4.35 4.46 3hoyG1 LEU 7 HB2 -0.48 -0.05 -0.12 -0.04 1.64 0.95 3hoyG1 LEU 7 HB3 -0.13 -0.08 0.05 -0.04 1.64 1.43 3hoyG1 LEU 7 HG -0.39 0.03 -0.43 -0.04 1.64 0.81 3hoyG1 LEU 7 HD13 -0.37 -0.01 -0.18 -0.04 0.93 0.33 3hoyG1 LEU 7 HD23 -0.81 0.06 -0.25 -0.04 0.89 -0.15 3hoyG1 SER 8 H 0.11 0.17 0.06 -0.55 8.46 8.26 3hoyG1 SER 8 HA 0.12 0.06 0.68 -0.75 4.49 4.59 3hoyG1 SER 8 HB2 0.05 0.08 -0.00 -0.04 3.95 4.04 3hoyG1 SER 8 HB3 0.03 -0.08 -0.12 -0.04 3.93 3.72 3hoyG1 LEU 9 H -0.19 0.47 0.24 -0.55 8.37 8.34 3hoyG1 LEU 9 HA -0.04 0.21 0.91 -0.75 4.35 4.67 3hoyG1 LEU 9 HB2 -0.29 -0.03 -0.06 -0.04 1.64 1.22 3hoyG1 LEU 9 HB3 -0.24 -0.03 -0.02 -0.04 1.64 1.30 3hoyG1 LEU 9 HG -0.07 -0.05 -0.06 -0.04 1.64 1.42 3hoyG1 LEU 9 HD13 -0.03 0.04 0.06 -0.04 0.93 0.97 3hoyG1 LEU 9 HD23 -0.11 0.01 -0.11 -0.04 0.89 0.64 3hoyG1 ASN 10 H -0.03 0.22 0.11 -0.55 8.53 8.28 3hoyG1 ASN 10 HA 0.01 0.36 1.05 -0.75 4.76 5.42 3hoyG1 ASN 10 HB2 0.00 -0.04 0.01 -0.04 2.88 2.81 3hoyG1 ASN 10 HB3 0.00 -0.03 -0.00 -0.04 2.79 2.72 3hoyG1 ASN 10 HD21 0.00 -0.01 -0.16 -0.04 7.03 6.82 3hoyG1 ASN 10 HD22 0.00 -0.04 -0.15 -0.04 7.74 7.51 3hoyG1 ILE 11 H 0.05 0.52 0.27 -0.55 8.25 8.55 3hoyG1 ILE 11 HA 0.01 0.23 1.11 -0.75 4.18 4.78 3hoyG1 ILE 11 HB 0.08 -0.05 0.03 -0.04 1.89 1.91 3hoyG1 ILE 11 HG12 -0.04 0.07 -0.23 -0.04 1.49 1.25 3hoyG1 ILE 11 HG13 -0.04 -0.05 -0.18 -0.04 1.21 0.91 3hoyG1 ILE 11 HG23 0.03 0.02 -0.10 -0.04 0.93 0.84 3hoyG1 ILE 11 HD13 -0.08 -0.01 -0.10 -0.04 0.88 0.65 3hoyG1 THR 12 H 0.02 0.20 0.15 -0.55 8.28 8.10 3hoyG1 THR 12 HA 0.02 0.30 1.12 -0.75 4.39 5.07 3hoyG1 THR 12 HB 0.01 -0.02 0.13 -0.04 4.32 4.40 3hoyG1 THR 12 HG23 0.01 -0.01 -0.21 -0.04 1.22 0.97 3hoyG1 LEU 13 H 0.06 0.64 0.30 -0.55 8.37 8.82 3hoyG1 LEU 13 HA -0.06 0.09 0.78 -0.75 4.35 4.41 3hoyG1 LEU 13 HB2 0.17 0.03 0.07 -0.04 1.64 1.87 3hoyG1 LEU 13 HB3 0.04 0.06 -0.06 -0.04 1.64 1.63 3hoyG1 LEU 13 HG 0.10 -0.02 -0.08 -0.04 1.64 1.59 3hoyG1 LEU 13 HD13 0.01 0.01 -0.09 -0.04 0.93 0.82 3hoyG1 LEU 13 HD23 -0.33 0.02 0.07 -0.04 0.89 0.60 3hoyG1 HIS 14 H -0.21 0.11 0.18 -0.55 8.41 7.94 3hoyG1 HIS 14 HA 0.01 0.12 0.48 -0.75 4.63 4.48 3hoyG1 HIS 14 HB2 -0.17 0.10 0.14 -0.04 3.26 3.29 3hoyG1 HIS 14 HB3 -0.29 -0.07 0.11 -0.04 3.20 2.91 3hoyG1 HIS 14 HD2 -0.00 0.02 0.08 -0.04 6.97 7.03 3hoyG1 HIS 14 HE1 0.06 0.07 0.02 -0.04 7.75 7.86 3hoyG1 PRO 15 HA -0.31 0.18 0.39 -0.51 4.44 4.19 3hoyG1 PRO 15 HB2 -0.41 0.01 -0.03 -0.04 2.28 1.82 3hoyG1 PRO 15 HB3 -0.67 0.13 0.04 -0.04 2.02 1.47 3hoyG1 PRO 15 HG2 -0.32 -0.00 -0.01 -0.04 2.03 1.65 3hoyG1 PRO 15 HG3 -0.30 0.22 -0.50 -0.04 2.03 1.41 3hoyG1 PRO 15 HD2 -1.67 0.09 0.17 -0.04 3.68 2.22 3hoyG1 PRO 15 HD3 -0.31 0.08 0.16 -0.04 3.65 3.54 3hoyG1 SER 16 H -0.17 0.06 -0.28 -0.55 8.46 7.52 3hoyG1 SER 16 HA 0.14 0.11 0.31 -0.75 4.49 4.29 3hoyG1 SER 16 HB2 0.56 0.02 0.07 -0.04 3.95 4.55 3hoyG1 SER 16 HB3 0.99 -0.06 0.02 -0.04 3.93 4.85 3hoyG1 PHE 17 H 0.80 0.17 -0.45 -0.55 8.34 8.31 3hoyG1 PHE 17 HA -0.02 0.12 0.45 -0.75 4.62 4.41 3hoyG1 PHE 17 HB2 -0.09 0.08 0.04 -0.04 3.15 3.13 3hoyG1 PHE 17 HB3 -0.28 -0.03 0.17 -0.04 3.06 2.88 3hoyG1 PHE 17 HD2 -0.96 -0.12 -0.02 -0.04 7.28 6.13 3hoyG1 PHE 17 HE2 -0.30 0.02 -0.01 -0.04 7.38 7.04 3hoyG1 PHE 17 HZ -0.07 0.03 -0.01 -0.04 7.32 7.23 3hoyG1 PHE 18 H 0.45 0.52 -0.75 -0.55 8.34 8.00 3hoyG1 PHE 18 HA 0.09 0.04 0.56 -0.75 4.62 4.55 3hoyG1 PHE 18 HB2 0.02 0.16 0.17 -0.04 3.15 3.46 3hoyG1 PHE 18 HB3 0.03 -0.04 0.20 -0.04 3.06 3.21 3hoyG1 PHE 18 HD2 0.04 -0.02 -0.06 -0.04 7.28 7.20 3hoyG1 PHE 18 HE2 -0.01 0.02 -0.32 -0.04 7.38 7.02 3hoyG1 PHE 18 HZ -0.04 -0.01 -0.12 -0.04 7.32 7.11 3hoyG1 GLY 19 H 0.07 0.44 -0.70 -0.55 8.43 7.69 3hoyG1 GLY 19 HA2 0.05 0.15 0.39 -0.51 4.01 4.10 3hoyG1 GLY 19 HA3 0.02 -0.01 0.18 -0.51 4.01 3.69 3hoyG1 PRO 20 HA 0.02 0.16 0.59 -0.51 4.44 4.71 3hoyG1 PRO 20 HB2 0.01 0.03 0.03 -0.04 2.28 2.32 3hoyG1 PRO 20 HB3 0.02 0.06 0.08 -0.04 2.02 2.14 3hoyG1 PRO 20 HG2 0.01 0.02 0.03 -0.04 2.03 2.05 3hoyG1 PRO 20 HG3 0.01 0.08 0.06 -0.04 2.03 2.14 3hoyG1 PRO 20 HD2 0.01 0.08 0.17 -0.04 3.68 3.90 3hoyG1 PRO 20 HD3 0.02 0.20 0.16 -0.04 3.65 3.98 3hoyG1 ARG 21 H 0.02 0.22 -0.13 -0.55 8.46 8.01 3hoyG1 ARG 21 HA 0.02 0.15 0.80 -0.75 4.34 4.55 3hoyG1 ARG 21 HB2 0.02 0.02 0.09 -0.04 1.90 1.99 3hoyG1 ARG 21 HB3 0.03 -0.01 0.16 -0.04 1.80 1.94 3hoyG1 ARG 21 HG2 0.01 0.08 -0.06 -0.04 1.67 1.66 3hoyG1 ARG 21 HG3 0.01 0.03 0.00 -0.04 1.67 1.68 3hoyG1 ARG 21 HD2 0.03 -0.07 -0.01 -0.04 3.22 3.12 3hoyG1 ARG 21 HD3 0.02 -0.04 0.08 -0.04 3.22 3.23 3hoyG1 MET 22 H 0.00 0.24 -0.21 -0.55 8.47 7.96 3hoyG1 MET 22 HA 0.06 0.20 0.72 -0.75 4.52 4.75 3hoyG1 MET 22 HB2 -0.02 0.15 -0.02 -0.04 2.15 2.22 3hoyG1 MET 22 HB3 -0.05 -0.05 0.08 -0.04 2.03 1.97 3hoyG1 MET 22 HG2 -0.10 -0.13 -0.17 -0.04 2.63 2.19 3hoyG1 MET 22 HG3 -0.10 0.26 0.07 -0.04 2.56 2.75 3hoyG1 MET 22 HE3 -0.57 0.02 -0.06 -0.04 2.10 1.45 3hoyG1 LYS 23 H -0.04 0.17 0.09 -0.55 8.42 8.08 3hoyG1 LYS 23 HA -0.15 0.09 0.33 -0.75 4.32 3.83 3hoyG1 LYS 23 HB2 -0.07 0.07 0.12 -0.04 1.87 1.94 3hoyG1 LYS 23 HB3 -0.02 -0.03 0.10 -0.04 1.79 1.80 3hoyG1 LYS 23 HG2 0.01 0.01 -0.29 -0.04 1.46 1.14 3hoyG1 LYS 23 HG3 -0.06 -0.00 0.01 -0.04 1.46 1.37 3hoyG1 LYS 23 HD2 -0.01 -0.00 -0.01 -0.04 1.69 1.64 3hoyG1 LYS 23 HD3 0.00 0.10 -0.02 -0.04 1.68 1.71 3hoyG1 LYS 23 HE2 -0.07 0.00 0.04 -0.04 2.99 2.92 3hoyG1 LYS 23 HE3 -0.05 -0.03 0.03 -0.04 2.99 2.90 3hoyG1 GLN 24 H 0.03 0.00 -0.62 -0.55 8.47 7.33 3hoyG1 GLN 24 HA 0.06 0.09 0.35 -0.75 4.36 4.11 3hoyG1 GLN 24 HB2 0.04 -0.03 -0.01 -0.04 2.15 2.11 3hoyG1 GLN 24 HB3 0.07 0.09 -0.11 -0.04 2.02 2.03 3hoyG1 GLN 24 HG2 0.06 0.01 -0.11 -0.04 2.40 2.32 3hoyG1 GLN 24 HG3 0.06 0.00 -0.00 -0.04 2.39 2.41 3hoyG1 GLN 24 HE21 0.03 0.01 -0.04 -0.04 6.97 6.93 3hoyG1 GLN 24 HE22 0.04 0.00 -0.08 -0.04 7.69 7.62 3hoyG1 TYR 25 H 0.16 0.28 -0.22 -0.55 8.29 7.95 3hoyG1 TYR 25 HA 0.05 0.05 0.43 -0.75 4.56 4.34 3hoyG1 TYR 25 HB2 0.09 0.03 0.16 -0.04 3.06 3.30 3hoyG1 TYR 25 HB3 0.10 0.05 0.13 -0.04 2.98 3.22 3hoyG1 TYR 25 HD2 0.10 0.01 -0.16 -0.04 7.15 7.06 3hoyG1 TYR 25 HE2 0.11 0.00 -0.01 -0.04 6.85 6.90 3hoyG1 LEU 26 H 0.06 0.50 -0.17 -0.55 8.37 8.21 3hoyG1 LEU 26 HA 0.02 0.02 0.41 -0.75 4.35 4.05 3hoyG1 LEU 26 HB2 -0.17 0.09 0.13 -0.04 1.64 1.64 3hoyG1 LEU 26 HB3 -0.18 -0.00 -0.05 -0.04 1.64 1.37 3hoyG1 LEU 26 HG -0.12 0.01 -0.10 -0.04 1.64 1.39 3hoyG1 LEU 26 HD13 -1.02 -0.00 -0.08 -0.04 0.93 -0.21 3hoyG1 LEU 26 HD23 0.05 -0.01 -0.07 -0.04 0.89 0.82 3hoyG1 LYS 27 H -0.09 0.62 -0.01 -0.55 8.42 8.39 3hoyG1 LYS 27 HA -0.19 -0.03 0.29 -0.75 4.32 3.63 3hoyG1 LYS 27 HB2 -0.01 0.11 0.13 -0.04 1.87 2.06 3hoyG1 LYS 27 HB3 -0.32 -0.04 -0.04 -0.04 1.79 1.35 3hoyG1 LYS 27 HG2 -0.20 -0.04 0.04 -0.04 1.46 1.22 3hoyG1 LYS 27 HG3 -0.08 0.04 0.06 -0.04 1.46 1.44 3hoyG1 LYS 27 HD2 0.18 -0.05 -0.08 -0.04 1.69 1.70 3hoyG1 LYS 27 HD3 0.26 -0.02 -0.04 -0.04 1.68 1.83 3hoyG1 LYS 27 HE2 0.02 -0.05 0.06 -0.04 2.99 2.98 3hoyG1 LYS 27 HE3 0.01 0.03 -0.01 -0.04 2.99 2.97 3hoyG1 THR 28 H -0.12 0.42 -0.50 -0.55 8.28 7.53 3hoyG1 THR 28 HA -0.10 -0.00 0.41 -0.75 4.39 3.94 3hoyG1 THR 28 HB -0.29 0.12 0.10 -0.04 4.32 4.21 3hoyG1 THR 28 HG23 -0.13 -0.02 -0.08 -0.04 1.22 0.95 3hoyG1 LYS 29 H -0.23 0.58 -0.12 -0.55 8.42 8.09 3hoyG1 LYS 29 HA -0.16 0.02 0.48 -0.75 4.32 3.89 3hoyG1 LYS 29 HB2 -0.17 0.12 0.19 -0.04 1.87 1.97 3hoyG1 LYS 29 HB3 -0.08 -0.03 0.11 -0.04 1.79 1.75 3hoyG1 LYS 29 HG2 0.04 -0.05 -0.01 -0.04 1.46 1.39 3hoyG1 LYS 29 HG3 -0.03 -0.02 -0.03 -0.04 1.46 1.33 3hoyG1 LYS 29 HD2 -0.08 0.01 0.06 -0.04 1.69 1.64 3hoyG1 LYS 29 HD3 0.05 -0.00 0.02 -0.04 1.68 1.70 3hoyG1 LYS 29 HE2 0.06 -0.02 0.01 -0.04 2.99 3.00 3hoyG1 LYS 29 HE3 0.01 0.01 0.01 -0.04 2.99 2.98 3hoyG1 LEU 30 H -0.15 0.58 -0.07 -0.55 8.37 8.19 3hoyG1 LEU 30 HA -0.16 -0.03 0.26 -0.75 4.35 3.67 3hoyG1 LEU 30 HB2 -0.21 -0.03 -0.01 -0.04 1.64 1.35 3hoyG1 LEU 30 HB3 -0.20 0.26 0.17 -0.04 1.64 1.82 3hoyG1 LEU 30 HG -0.23 -0.02 -0.27 -0.04 1.64 1.08 3hoyG1 LEU 30 HD13 -0.61 -0.02 -0.11 -0.04 0.93 0.15 3hoyG1 LEU 30 HD23 -0.29 -0.00 -0.11 -0.04 0.89 0.45 3hoyG1 LEU 31 H -0.15 0.54 -0.12 -0.55 8.37 8.10 3hoyG1 LEU 31 HA -0.05 -0.16 0.31 -0.75 4.35 3.69 3hoyG1 LEU 31 HB2 -0.08 0.18 0.11 -0.04 1.64 1.82 3hoyG1 LEU 31 HB3 -0.03 -0.02 0.02 -0.04 1.64 1.56 3hoyG1 LEU 31 HG -0.22 0.18 0.10 -0.04 1.64 1.67 3hoyG1 LEU 31 HD13 -0.07 -0.02 -0.02 -0.04 0.93 0.77 3hoyG1 LEU 31 HD23 -0.07 -0.03 0.05 -0.04 0.89 0.79 3hoyG1 GLU 32 H -0.08 0.41 -0.34 -0.55 8.60 8.05 3hoyG1 GLU 32 HA -0.02 0.01 0.47 -0.75 4.29 3.99 3hoyG1 GLU 32 HB2 -0.05 0.12 0.23 -0.04 2.09 2.34 3hoyG1 GLU 32 HB3 -0.02 -0.07 0.02 -0.04 1.99 1.88 3hoyG1 GLU 32 HG2 -0.03 -0.05 0.06 -0.04 2.34 2.28 3hoyG1 GLU 32 HG3 -0.07 0.23 0.12 -0.04 2.34 2.58 3hoyG1 GLU 33 H -0.05 0.59 0.03 -0.55 8.60 8.63 3hoyG1 GLU 33 HA -0.02 0.10 0.57 -0.75 4.29 4.19 3hoyG1 GLU 33 HB2 -0.06 0.05 0.08 -0.04 2.09 2.12 3hoyG1 GLU 33 HB3 -0.03 -0.09 0.03 -0.04 1.99 1.85 3hoyG1 GLU 33 HG2 -0.02 -0.01 0.01 -0.04 2.34 2.29 3hoyG1 GLU 33 HG3 -0.03 0.01 -0.01 -0.04 2.34 2.27 3hoyG1 VAL 34 H -0.02 0.36 -0.20 -0.55 8.24 7.83 3hoyG1 VAL 34 HA 0.04 0.16 0.93 -0.75 4.13 4.51 3hoyG1 VAL 34 HB 0.10 -0.05 -0.06 -0.04 2.12 2.06 3hoyG1 VAL 34 HG13 0.35 -0.04 -0.25 -0.04 0.97 1.00 3hoyG1 VAL 34 HG23 -0.13 0.01 -0.19 -0.04 0.95 0.60 3hoyG1 GLU 35 H 0.04 0.15 0.04 -0.55 8.60 8.28 3hoyG1 GLU 35 HA 0.06 -0.12 0.12 -0.75 4.29 3.60 3hoyG1 GLU 35 HB2 0.03 0.16 0.14 -0.04 2.09 2.38 3hoyG1 GLU 35 HB3 0.04 0.08 0.05 -0.04 1.99 2.12 3hoyG1 GLU 35 HG2 0.06 -0.19 0.04 -0.04 2.34 2.20 3hoyG1 GLU 35 HG3 0.02 0.11 0.19 -0.04 2.34 2.62 3hoyG1 GLY 36 H 0.06 0.37 0.24 -0.55 8.43 8.55 3hoyG1 GLY 36 HA2 0.05 -0.03 0.47 -0.51 4.01 3.98 3hoyG1 GLY 36 HA3 0.03 0.06 0.62 -0.51 4.01 4.20 3hoyG1 SER 37 H 0.02 0.75 -0.17 -0.55 8.46 8.51 3hoyG1 SER 37 HA -0.03 0.06 0.46 -0.75 4.49 4.22 3hoyG1 SER 37 HB2 0.00 -0.15 0.17 -0.04 3.95 3.94 3hoyG1 SER 37 HB3 0.02 0.24 0.12 -0.04 3.93 4.27 3hoyG1 CYS 38 H -0.06 0.20 0.16 -0.55 8.50 8.25 3hoyG1 CYS 38 HA -0.14 0.14 0.63 -0.75 4.58 4.46 3hoyG1 CYS 38 HB2 -0.45 0.23 -0.39 -0.04 2.97 2.32 3hoyG1 CYS 38 HB3 -0.26 -0.08 -0.03 -0.04 2.97 2.55 3hoyG1 THR 39 H -0.04 0.54 0.21 -0.55 8.28 8.44 3hoyG1 THR 39 HA -0.07 0.30 0.87 -0.75 4.39 4.74 3hoyG1 THR 39 HB -0.11 -0.20 0.25 -0.04 4.32 4.22 3hoyG1 THR 39 HG23 0.06 0.05 -0.15 -0.04 1.22 1.14 3hoyG1 GLY 40 H -0.13 0.06 0.25 -0.55 8.43 8.07 3hoyG1 GLY 40 HA2 -0.12 0.27 0.94 -0.51 4.01 4.59 3hoyG1 GLY 40 HA3 -0.12 0.06 0.34 -0.51 4.01 3.78 3hoyG1 LYS 41 H -0.24 -0.12 0.17 -0.55 8.42 7.67 3hoyG1 LYS 41 HA -0.31 0.15 0.39 -0.75 4.32 3.80 3hoyG1 LYS 41 HB2 -0.39 -0.02 0.14 -0.04 1.87 1.56 3hoyG1 LYS 41 HB3 -1.01 -0.03 0.08 -0.04 1.79 0.78 3hoyG1 LYS 41 HG2 -1.10 0.04 -0.11 -0.04 1.46 0.25 3hoyG1 LYS 41 HG3 -0.37 0.02 0.05 -0.04 1.46 1.12 3hoyG1 LYS 41 HD2 -0.50 -0.00 -0.02 -0.04 1.69 1.12 3hoyG1 LYS 41 HD3 -0.21 0.03 -0.02 -0.04 1.68 1.44 3hoyG1 LYS 41 HE2 -0.15 0.02 0.01 -0.04 2.99 2.83 3hoyG1 LYS 41 HE3 -0.21 -0.05 0.03 -0.04 2.99 2.72 3hoyG1 PHE 42 H -0.23 -0.12 -0.22 -0.55 8.34 7.22 3hoyG1 PHE 42 HA -0.05 0.27 0.80 -0.75 4.62 4.88 3hoyG1 PHE 42 HB2 -0.02 0.01 -0.16 -0.04 3.15 2.94 3hoyG1 PHE 42 HB3 -0.02 0.00 -0.14 -0.04 3.06 2.86 3hoyG1 PHE 42 HD2 -0.02 0.05 -0.12 -0.04 7.28 7.15 3hoyG1 PHE 42 HE2 -0.01 0.04 -0.07 -0.04 7.38 7.29 3hoyG1 PHE 42 HZ -0.00 0.03 -0.06 -0.04 7.32 7.25 3hoyG1 GLY 43 H -0.01 -0.15 -0.44 -0.55 8.43 7.28 3hoyG1 GLY 43 HA2 -0.00 0.18 0.21 -0.51 4.01 3.89 3hoyG1 GLY 43 HA3 0.02 0.13 0.49 -0.51 4.01 4.14 3hoyG1 TYR 44 H 0.24 0.31 -0.01 -0.55 8.29 8.28 3hoyG1 TYR 44 HA 0.03 0.22 0.74 -0.75 4.56 4.78 3hoyG1 TYR 44 HB2 0.11 0.02 0.24 -0.04 3.06 3.40 3hoyG1 TYR 44 HB3 0.08 0.06 -0.05 -0.04 2.98 3.02 3hoyG1 TYR 44 HD2 -0.00 -0.02 -0.04 -0.04 7.15 7.05 3hoyG1 TYR 44 HE2 -0.03 0.02 -0.07 -0.04 6.85 6.73 3hoyG1 ILE 45 H 0.06 0.44 0.02 -0.55 8.25 8.23 3hoyG1 ILE 45 HA 0.08 0.00 0.42 -0.75 4.18 3.93 3hoyG1 ILE 45 HB 0.06 0.15 0.02 -0.04 1.89 2.07 3hoyG1 ILE 45 HG12 0.08 -0.01 -0.27 -0.04 1.49 1.25 3hoyG1 ILE 45 HG13 0.08 0.03 -0.16 -0.04 1.21 1.12 3hoyG1 ILE 45 HG23 0.07 -0.09 -0.57 -0.04 0.93 0.31 3hoyG1 ILE 45 HD13 -0.02 -0.02 -0.22 -0.04 0.88 0.57 3hoyG1 LEU 46 H 0.09 0.35 0.23 -0.55 8.37 8.49 3hoyG1 LEU 46 HA 0.10 0.23 1.17 -0.75 4.35 5.10 3hoyG1 LEU 46 HB2 0.13 0.15 0.19 -0.04 1.64 2.07 3hoyG1 LEU 46 HB3 0.12 -0.04 -0.00 -0.04 1.64 1.67 3hoyG1 LEU 46 HG 0.16 0.04 -0.36 -0.04 1.64 1.43 3hoyG1 LEU 46 HD13 0.10 -0.01 -0.10 -0.04 0.93 0.89 3hoyG1 LEU 46 HD23 0.15 0.02 -0.05 -0.04 0.89 0.97 3hoyG1 CYS 47 H 0.07 0.21 0.23 -0.55 8.50 8.47 3hoyG1 CYS 47 HA 0.06 0.16 0.86 -0.75 4.58 4.90 3hoyG1 CYS 47 HB2 0.06 0.11 -0.19 -0.04 2.97 2.92 3hoyG1 CYS 47 HB3 0.06 -0.05 0.10 -0.04 2.97 3.04 3hoyG1 VAL 48 H 0.05 0.19 0.11 -0.55 8.24 8.05 3hoyG1 VAL 48 HA 0.02 -0.01 0.56 -0.75 4.13 3.94 3hoyG1 VAL 48 HB 0.03 0.00 0.14 -0.04 2.12 2.25 3hoyG1 VAL 48 HG13 0.14 0.05 -0.09 -0.04 0.97 1.02 3hoyG1 VAL 48 HG23 0.14 -0.00 -0.04 -0.04 0.95 1.00 3hoyG1 LEU 49 H -0.01 0.53 0.50 -0.55 8.37 8.84 3hoyG1 LEU 49 HA 0.04 0.13 0.67 -0.75 4.35 4.44 3hoyG1 LEU 49 HB2 -0.00 0.17 0.05 -0.04 1.64 1.83 3hoyG1 LEU 49 HB3 0.02 -0.16 0.15 -0.04 1.64 1.61 3hoyG1 LEU 49 HG 0.00 -0.04 0.05 -0.04 1.64 1.61 3hoyG1 LEU 49 HD13 0.02 0.00 -0.08 -0.04 0.93 0.83 3hoyG1 LEU 49 HD23 0.03 -0.00 -0.18 -0.04 0.89 0.70 3hoyG1 ASP 50 H 0.04 0.14 0.13 -0.55 8.40 8.16 3hoyG1 ASP 50 HA 0.06 0.00 0.30 -0.75 4.63 4.24 3hoyG1 ASP 50 HB2 0.03 0.02 0.04 -0.04 2.71 2.77 3hoyG1 ASP 50 HB3 0.04 0.08 -0.21 -0.04 2.70 2.57 3hoyG1 TYR 51 H 0.17 0.10 -0.32 -0.55 8.29 7.69 3hoyG1 TYR 51 HA 0.02 0.11 0.27 -0.75 4.56 4.20 3hoyG1 TYR 51 HB2 0.01 0.07 0.06 -0.04 3.06 3.17 3hoyG1 TYR 51 HB3 0.01 -0.10 0.08 -0.04 2.98 2.93 3hoyG1 TYR 51 HD2 -0.00 0.02 -0.50 -0.04 7.15 6.63 3hoyG1 TYR 51 HE2 -0.02 0.00 -0.07 -0.04 6.85 6.72 3hoyG1 ASP 52 H 0.14 0.04 -0.17 -0.55 8.40 7.87 3hoyG1 ASP 52 HA 0.15 0.03 0.32 -0.75 4.63 4.37 3hoyG1 ASP 52 HB2 0.04 -0.04 0.02 -0.04 2.71 2.68 3hoyG1 ASP 52 HB3 0.03 0.03 -0.01 -0.04 2.70 2.72 3hoyG1 ASN 53 H 0.09 0.65 -0.40 -0.55 8.53 8.33 3hoyG1 ASN 53 HA 0.04 0.21 1.00 -0.75 4.76 5.26 3hoyG1 ASN 53 HB2 0.04 0.03 0.06 -0.04 2.88 2.96 3hoyG1 ASN 53 HB3 0.03 -0.04 0.17 -0.04 2.79 2.91 3hoyG1 ASN 53 HD21 0.02 -0.02 -0.06 -0.04 7.03 6.93 3hoyG1 ASN 53 HD22 0.02 -0.01 -0.01 -0.04 7.74 7.70 3hoyG1 ILE 54 H 0.05 0.42 0.02 -0.55 8.25 8.19 3hoyG1 ILE 54 HA 0.02 0.06 0.51 -0.75 4.18 4.01 3hoyG1 ILE 54 HB -0.07 -0.04 0.14 -0.04 1.89 1.87 3hoyG1 ILE 54 HG12 -0.01 -0.03 0.00 -0.04 1.49 1.41 3hoyG1 ILE 54 HG13 -0.04 0.28 0.15 -0.04 1.21 1.56 3hoyG1 ILE 54 HG23 -0.09 -0.01 -0.23 -0.04 0.93 0.56 3hoyG1 ILE 54 HD13 -0.32 -0.04 -0.00 -0.04 0.88 0.48 3hoyG1 ASP 55 H 0.01 0.31 0.35 -0.55 8.40 8.52 3hoyG1 ASP 55 HA -0.00 -0.04 0.44 -0.75 4.63 4.27 3hoyG1 ASP 55 HB2 0.01 0.09 0.23 -0.04 2.71 3.00 3hoyG1 ASP 55 HB3 0.01 -0.04 0.26 -0.04 2.70 2.89 3hoyG1 ILE 56 H -0.02 0.03 0.24 -0.55 8.25 7.94 3hoyG1 ILE 56 HA -0.08 0.15 0.85 -0.75 4.18 4.35 3hoyG1 ILE 56 HB -0.12 0.06 0.05 -0.04 1.89 1.85 3hoyG1 ILE 56 HG12 -0.49 0.13 -0.04 -0.04 1.49 1.05 3hoyG1 ILE 56 HG13 -0.34 -0.04 0.01 -0.04 1.21 0.79 3hoyG1 ILE 56 HG23 -0.07 0.03 -0.02 -0.04 0.93 0.84 3hoyG1 ILE 56 HD13 -0.41 -0.03 -0.01 -0.04 0.88 0.40 3hoyG1 GLN 57 H 0.01 -0.08 0.10 -0.55 8.47 7.95 3hoyG1 GLN 57 HA 0.05 -0.03 0.35 -0.75 4.36 3.98 3hoyG1 GLN 57 HB2 0.09 0.27 -0.12 -0.04 2.15 2.35 3hoyG1 GLN 57 HB3 0.07 -0.02 0.15 -0.04 2.02 2.17 3hoyG1 GLN 57 HG2 0.03 -0.05 0.03 -0.04 2.40 2.37 3hoyG1 GLN 57 HG3 0.03 -0.08 -0.23 -0.04 2.39 2.07 3hoyG1 GLN 57 HE21 0.03 -0.07 -0.00 -0.04 6.97 6.88 3hoyG1 GLN 57 HE22 0.04 0.42 0.03 -0.04 7.69 8.14 3hoyG1 ARG 58 H 0.07 0.08 0.15 -0.55 8.46 8.21 3hoyG1 ARG 58 HA 0.19 0.04 0.58 -0.75 4.34 4.40 3hoyG1 ARG 58 HB2 0.05 -0.04 0.15 -0.04 1.90 2.02 3hoyG1 ARG 58 HB3 0.04 0.12 -0.01 -0.04 1.80 1.91 3hoyG1 ARG 58 HG2 0.07 0.03 0.04 -0.04 1.67 1.76 3hoyG1 ARG 58 HG3 0.06 -0.08 0.00 -0.04 1.67 1.61 3hoyG1 ARG 58 HD2 0.03 -0.02 0.03 -0.04 3.22 3.22 3hoyG1 ARG 58 HD3 0.03 0.04 0.02 -0.04 3.22 3.27 3hoyG1 GLY 59 H 0.15 0.07 0.14 -0.55 8.43 8.24 3hoyG1 GLY 59 HA2 -0.38 0.26 0.67 -0.51 4.01 4.05 3hoyG1 GLY 59 HA3 -1.33 -0.05 0.16 -0.51 4.01 2.27 3hoyG1 ARG 60 H -0.24 0.47 0.29 -0.55 8.46 8.42 3hoyG1 ARG 60 HA -0.07 0.12 0.73 -0.75 4.34 4.36 3hoyG1 ARG 60 HB2 -0.06 0.03 0.08 -0.04 1.90 1.91 3hoyG1 ARG 60 HB3 -0.08 -0.05 0.11 -0.04 1.80 1.73 3hoyG1 ARG 60 HG2 -0.04 0.13 -0.18 -0.04 1.67 1.53 3hoyG1 ARG 60 HG3 -0.03 -0.01 0.02 -0.04 1.67 1.61 3hoyG1 ARG 60 HD2 -0.02 -0.01 -0.02 -0.04 3.22 3.12 3hoyG1 ARG 60 HD3 -0.03 -0.01 -0.02 -0.04 3.22 3.12 3hoyG1 ILE 61 H -0.04 0.15 0.12 -0.55 8.25 7.93 3hoyG1 ILE 61 HA -0.02 0.15 0.67 -0.75 4.18 4.23 3hoyG1 ILE 61 HB -0.02 -0.06 0.12 -0.04 1.89 1.89 3hoyG1 ILE 61 HG12 0.00 -0.07 -0.02 -0.04 1.49 1.36 3hoyG1 ILE 61 HG13 0.01 -0.02 0.02 -0.04 1.21 1.17 3hoyG1 ILE 61 HG23 -0.03 0.09 -0.16 -0.04 0.93 0.78 3hoyG1 ILE 61 HD13 0.12 0.00 -0.09 -0.04 0.88 0.88 3hoyG1 LEU 62 H -0.03 0.65 0.23 -0.55 8.37 8.67 3hoyG1 LEU 62 HA -0.03 0.00 0.37 -0.75 4.35 3.94 3hoyG1 LEU 62 HB2 -0.02 0.02 -0.02 -0.04 1.64 1.59 3hoyG1 LEU 62 HB3 -0.02 -0.12 -0.05 -0.04 1.64 1.41 3hoyG1 LEU 62 HG -0.03 0.08 -0.14 -0.04 1.64 1.50 3hoyG1 LEU 62 HD13 -0.01 -0.04 -0.13 -0.04 0.93 0.71 3hoyG1 LEU 62 HD23 -0.03 -0.01 -0.09 -0.04 0.89 0.72 3hoyG1 PRO 63 HA -0.02 0.12 0.40 -0.51 4.44 4.43 3hoyG1 PRO 63 HB2 -0.01 -0.10 0.13 -0.04 2.28 2.26 3hoyG1 PRO 63 HB3 -0.01 0.01 0.06 -0.04 2.02 2.03 3hoyG1 PRO 63 HG2 -0.01 -0.02 0.09 -0.04 2.03 2.04 3hoyG1 PRO 63 HG3 -0.02 0.09 0.09 -0.04 2.03 2.15 3hoyG1 PRO 63 HD2 -0.02 0.00 0.19 -0.04 3.68 3.82 3hoyG1 PRO 63 HD3 -0.02 0.21 0.25 -0.04 3.65 4.05 3hoyG1 THR 64 H -0.01 -0.01 -0.02 -0.55 8.28 7.69 3hoyG1 THR 64 HA -0.02 0.13 0.55 -0.75 4.39 4.30 3hoyG1 THR 64 HB -0.01 -0.06 0.14 -0.04 4.32 4.35 3hoyG1 THR 64 HG23 -0.01 -0.02 -0.14 -0.04 1.22 1.01 3hoyG1 ASP 65 H -0.01 -0.04 -0.02 -0.55 8.40 7.78 3hoyG1 ASP 65 HA -0.02 0.12 0.64 -0.75 4.63 4.62 3hoyG1 ASP 65 HB2 0.01 -0.05 0.14 -0.04 2.71 2.77 3hoyG1 ASP 65 HB3 0.00 0.00 0.07 -0.04 2.70 2.74 3hoyG1 GLY 66 H -0.06 0.03 0.11 -0.55 8.43 7.97 3hoyG1 GLY 66 HA2 -0.08 0.37 0.53 -0.51 4.01 4.32 3hoyG1 GLY 66 HA3 -0.14 -0.06 0.33 -0.51 4.01 3.63 3hoyG1 SER 67 H -0.02 -0.06 -0.29 -0.55 8.46 7.54 3hoyG1 SER 67 HA 0.08 0.05 0.35 -0.75 4.49 4.22 3hoyG1 SER 67 HB2 0.02 -0.08 -0.09 -0.04 3.95 3.76 3hoyG1 SER 67 HB3 0.04 0.15 -0.07 -0.04 3.93 4.01 3hoyG1 ALA 68 H 0.16 0.44 0.26 -0.55 8.40 8.71 3hoyG1 ALA 68 HA -0.06 0.30 0.91 -0.75 4.34 4.73 3hoyG1 ALA 68 HB3 -0.11 -0.02 -0.07 -0.04 1.41 1.18 3hoyG1 GLU 69 H -0.24 0.71 0.29 -0.55 8.60 8.81 3hoyG1 GLU 69 HA -0.08 0.21 1.08 -0.75 4.29 4.74 3hoyG1 GLU 69 HB2 -0.06 -0.02 -0.06 -0.04 2.09 1.91 3hoyG1 GLU 69 HB3 -0.09 -0.00 0.18 -0.04 1.99 2.03 3hoyG1 GLU 69 HG2 -0.04 -0.03 -0.26 -0.04 2.34 1.97 3hoyG1 GLU 69 HG3 -0.02 0.05 -0.21 -0.04 2.34 2.12 3hoyG1 PHE 70 H 0.08 0.80 0.34 -0.55 8.34 9.00 3hoyG1 PHE 70 HA -0.02 0.21 1.02 -0.75 4.62 5.08 3hoyG1 PHE 70 HB2 -0.04 -0.04 0.13 -0.04 3.15 3.15 3hoyG1 PHE 70 HB3 -0.04 0.11 -0.10 -0.04 3.06 3.00 3hoyG1 PHE 70 HD2 -0.04 0.15 -0.16 -0.04 7.28 7.18 3hoyG1 PHE 70 HE2 -0.13 -0.04 -0.03 -0.04 7.38 7.15 3hoyG1 PHE 70 HZ -0.15 -0.00 -0.05 -0.04 7.32 7.08 3hoyG1 ASN 71 H 0.14 0.29 0.06 -0.55 8.53 8.47 3hoyG1 ASN 71 HA 0.03 0.23 0.98 -0.75 4.76 5.24 3hoyG1 ASN 71 HB2 0.03 -0.03 -0.00 -0.04 2.88 2.83 3hoyG1 ASN 71 HB3 0.04 -0.01 0.17 -0.04 2.79 2.95 3hoyG1 ASN 71 HD21 0.02 -0.02 -0.16 -0.04 7.03 6.83 3hoyG1 ASN 71 HD22 0.01 -0.05 -0.10 -0.04 7.74 7.57 3hoyG1 VAL 72 H -0.01 0.21 -0.01 -0.55 8.24 7.88 3hoyG1 VAL 72 HA -0.04 0.26 0.53 -0.75 4.13 4.13 3hoyG1 VAL 72 HB -0.18 -0.15 0.05 -0.04 2.12 1.80 3hoyG1 VAL 72 HG13 -0.16 0.01 -0.29 -0.04 0.97 0.48 3hoyG1 VAL 72 HG23 -0.08 -0.00 -0.12 -0.04 0.95 0.71 3hoyG1 LYS 73 H -0.00 0.42 0.23 -0.55 8.42 8.51 3hoyG1 LYS 73 HA 0.07 0.14 1.09 -0.75 4.32 4.86 3hoyG1 LYS 73 HB2 0.03 0.01 0.03 -0.04 1.87 1.91 3hoyG1 LYS 73 HB3 0.03 -0.06 0.20 -0.04 1.79 1.91 3hoyG1 LYS 73 HG2 0.03 -0.07 0.00 -0.04 1.46 1.38 3hoyG1 LYS 73 HG3 0.04 -0.10 -0.12 -0.04 1.46 1.25 3hoyG1 LYS 73 HD2 0.10 0.24 0.07 -0.04 1.69 2.06 3hoyG1 LYS 73 HD3 0.06 0.02 0.11 -0.04 1.68 1.82 3hoyG1 LYS 73 HE2 0.01 -0.10 -0.07 -0.04 2.99 2.78 3hoyG1 LYS 73 HE3 -0.00 -0.05 -0.06 -0.04 2.99 2.83 3hoyG1 TYR 74 H 0.57 0.20 0.04 -0.55 8.29 8.55 3hoyG1 TYR 74 HA -0.04 0.23 0.94 -0.75 4.56 4.93 3hoyG1 TYR 74 HB2 -0.06 -0.06 0.09 -0.04 3.06 2.99 3hoyG1 TYR 74 HB3 -0.07 0.02 -0.15 -0.04 2.98 2.74 3hoyG1 TYR 74 HD2 -0.07 0.07 -0.20 -0.04 7.15 6.91 3hoyG1 TYR 74 HE2 -0.08 -0.07 -0.26 -0.04 6.85 6.40 3hoyG1 ARG 75 H -0.01 0.28 0.10 -0.55 8.46 8.27 3hoyG1 ARG 75 HA -0.25 0.12 0.79 -0.75 4.34 4.25 3hoyG1 ARG 75 HB2 -0.05 0.09 -0.06 -0.04 1.90 1.84 3hoyG1 ARG 75 HB3 -0.03 -0.03 -0.04 -0.04 1.80 1.66 3hoyG1 ARG 75 HG2 -0.04 -0.06 -0.38 -0.04 1.67 1.14 3hoyG1 ARG 75 HG3 -0.05 0.07 -0.20 -0.04 1.67 1.44 3hoyG1 ARG 75 HD2 -0.00 -0.04 -0.10 -0.04 3.22 3.04 3hoyG1 ARG 75 HD3 -0.00 -0.01 -0.11 -0.04 3.22 3.06 3hoyG1 ALA 76 H -0.27 0.58 0.26 -0.55 8.40 8.42 3hoyG1 ALA 76 HA -0.07 0.11 1.09 -0.75 4.34 4.71 3hoyG1 ALA 76 HB3 -0.19 -0.02 -0.11 -0.04 1.41 1.05 3hoyG1 VAL 77 H 0.02 0.43 0.32 -0.55 8.24 8.45 3hoyG1 VAL 77 HA 0.10 0.29 1.13 -0.75 4.13 4.90 3hoyG1 VAL 77 HB 0.09 -0.07 0.28 -0.04 2.12 2.38 3hoyG1 VAL 77 HG13 0.23 0.03 -0.10 -0.04 0.97 1.08 3hoyG1 VAL 77 HG23 0.06 -0.00 -0.03 -0.04 0.95 0.94 3hoyG1 VAL 78 H 0.17 0.59 0.32 -0.55 8.24 8.77 3hoyG1 VAL 78 HA 0.13 0.30 1.17 -0.75 4.13 4.99 3hoyG1 VAL 78 HB 0.15 0.06 -0.09 -0.04 2.12 2.19 3hoyG1 VAL 78 HG13 0.05 -0.04 -0.33 -0.04 0.97 0.60 3hoyG1 VAL 78 HG23 0.19 -0.03 -0.12 -0.04 0.95 0.95 3hoyG1 PHE 79 H 0.16 0.42 0.18 -0.55 8.34 8.54 3hoyG1 PHE 79 HA -0.24 0.12 0.91 -0.75 4.62 4.66 3hoyG1 PHE 79 HB2 -1.00 0.04 -0.10 -0.04 3.15 2.05 3hoyG1 PHE 79 HB3 -0.33 0.00 0.18 -0.04 3.06 2.88 3hoyG1 PHE 79 HD2 -0.71 -0.01 0.03 -0.04 7.28 6.54 3hoyG1 PHE 79 HE2 -0.21 0.00 -0.07 -0.04 7.38 7.06 3hoyG1 PHE 79 HZ -0.10 -0.01 -0.15 -0.04 7.32 7.02 3hoyG1 LYS 80 H 0.13 0.21 -0.03 -0.55 8.42 8.18 3hoyG1 LYS 80 HA -0.33 0.11 0.82 -0.75 4.32 4.17 3hoyG1 LYS 80 HB2 -0.08 0.03 -0.21 -0.04 1.87 1.57 3hoyG1 LYS 80 HB3 0.15 -0.02 0.02 -0.04 1.79 1.91 3hoyG1 LYS 80 HG2 -0.34 -0.03 -0.15 -0.04 1.46 0.91 3hoyG1 LYS 80 HG3 -1.10 0.07 -0.46 -0.04 1.46 -0.07 3hoyG1 LYS 80 HD2 -0.61 0.10 -0.05 -0.04 1.69 1.10 3hoyG1 LYS 80 HD3 -0.29 -0.10 -0.06 -0.04 1.68 1.18 3hoyG1 LYS 80 HE2 -0.23 0.14 0.01 -0.04 2.99 2.87 3hoyG1 LYS 80 HE3 -0.18 -0.04 -0.31 -0.04 2.99 2.41 3hoyG1 PRO 81 HA -0.12 0.12 0.57 -0.51 4.44 4.49 3hoyG1 PRO 81 HB2 -0.12 0.02 -0.09 -0.04 2.28 2.05 3hoyG1 PRO 81 HB3 -0.38 0.03 -0.05 -0.04 2.02 1.57 3hoyG1 PRO 81 HG2 -0.25 -0.02 -0.08 -0.04 2.03 1.64 3hoyG1 PRO 81 HG3 -0.23 0.03 -0.08 -0.04 2.03 1.71 3hoyG1 PRO 81 HD2 -0.35 0.05 0.22 -0.04 3.68 3.56 3hoyG1 PRO 81 HD3 -0.77 0.25 0.11 -0.04 3.65 3.20 3hoyG1 PHE 82 H 0.19 0.19 0.12 -0.55 8.34 8.28 3hoyG1 PHE 82 HA -0.02 0.13 0.71 -0.75 4.62 4.68 3hoyG1 PHE 82 HB2 0.02 0.01 -0.06 -0.04 3.15 3.08 3hoyG1 PHE 82 HB3 0.01 -0.01 0.10 -0.04 3.06 3.11 3hoyG1 PHE 82 HD2 0.01 -0.08 -0.14 -0.04 7.28 7.03 3hoyG1 PHE 82 HE2 0.14 0.05 -0.07 -0.04 7.38 7.45 3hoyG1 PHE 82 HZ -0.04 -0.02 -0.09 -0.04 7.32 7.12 3hoyG1 LYS 83 H 0.16 0.11 0.11 -0.55 8.42 8.25 3hoyG1 LYS 83 HA 0.06 0.10 0.28 -0.75 4.32 4.01 3hoyG1 LYS 83 HB2 0.07 -0.04 -0.02 -0.04 1.87 1.83 3hoyG1 LYS 83 HB3 0.05 0.09 0.08 -0.04 1.79 1.96 3hoyG1 LYS 83 HG2 0.03 0.06 0.05 -0.04 1.46 1.57 3hoyG1 LYS 83 HG3 0.05 -0.09 0.09 -0.04 1.46 1.47 3hoyG1 LYS 83 HD2 0.04 -0.03 0.03 -0.04 1.69 1.69 3hoyG1 LYS 83 HD3 0.03 0.09 0.10 -0.04 1.68 1.86 3hoyG1 LYS 83 HE2 0.02 0.00 0.09 -0.04 2.99 3.06 3hoyG1 LYS 83 HE3 0.03 -0.03 0.06 -0.04 2.99 3.00 3hoyG1 GLY 84 H 0.05 0.72 0.28 -0.55 8.43 8.93 3hoyG1 GLY 84 HA2 0.04 -0.03 0.30 -0.51 4.01 3.80 3hoyG1 GLY 84 HA3 0.04 0.05 0.39 -0.51 4.01 3.97 3hoyG1 GLU 85 H 0.09 0.26 -0.68 -0.55 8.60 7.72 3hoyG1 GLU 85 HA 0.05 0.12 0.63 -0.75 4.29 4.33 3hoyG1 GLU 85 HB2 0.15 -0.01 -0.02 -0.04 2.09 2.17 3hoyG1 GLU 85 HB3 0.11 -0.06 0.06 -0.04 1.99 2.06 3hoyG1 GLU 85 HG2 0.09 0.12 -0.18 -0.04 2.34 2.33 3hoyG1 GLU 85 HG3 0.07 0.05 0.02 -0.04 2.34 2.43 3hoyG1 VAL 86 H 0.04 0.20 0.18 -0.55 8.24 8.11 3hoyG1 VAL 86 HA 0.05 0.17 0.93 -0.75 4.13 4.52 3hoyG1 VAL 86 HB 0.03 -0.04 0.15 -0.04 2.12 2.22 3hoyG1 VAL 86 HG13 0.04 0.02 -0.19 -0.04 0.97 0.79 3hoyG1 VAL 86 HG23 0.03 0.01 -0.05 -0.04 0.95 0.90 3hoyG1 VAL 87 H 0.06 0.70 0.30 -0.55 8.24 8.75 3hoyG1 VAL 87 HA 0.06 0.13 0.77 -0.75 4.13 4.34 3hoyG1 VAL 87 HB 0.11 0.02 -0.01 -0.04 2.12 2.20 3hoyG1 VAL 87 HG13 0.12 0.04 -0.52 -0.04 0.97 0.58 3hoyG1 VAL 87 HG23 0.10 -0.02 -0.27 -0.04 0.95 0.72 3hoyG1 ASP 88 H 0.04 0.23 0.20 -0.55 8.40 8.32 3hoyG1 ASP 88 HA 0.04 0.11 1.24 -0.75 4.63 5.27 3hoyG1 ASP 88 HB2 0.02 0.09 -0.07 -0.04 2.71 2.70 3hoyG1 ASP 88 HB3 0.03 -0.12 0.07 -0.04 2.70 2.63 3hoyG1 GLY 89 H 0.03 0.46 0.27 -0.55 8.43 8.65 3hoyG1 GLY 89 HA2 0.01 0.12 0.68 -0.51 4.01 4.31 3hoyG1 GLY 89 HA3 0.03 0.09 0.15 -0.51 4.01 3.76 3hoyG1 THR 90 H 0.01 0.41 0.29 -0.55 8.28 8.44 3hoyG1 THR 90 HA -0.02 0.17 1.07 -0.75 4.39 4.85 3hoyG1 THR 90 HB 0.01 -0.01 0.15 -0.04 4.32 4.42 3hoyG1 THR 90 HG23 -0.01 0.13 0.06 -0.04 1.22 1.35 3hoyG1 VAL 91 H -0.06 0.49 0.11 -0.55 8.24 8.24 3hoyG1 VAL 91 HA 0.02 -0.08 0.39 -0.75 4.13 3.71 3hoyG1 VAL 91 HB -0.08 0.24 -0.27 -0.04 2.12 1.97 3hoyG1 VAL 91 HG13 -0.01 -0.05 -0.29 -0.04 0.97 0.58 3hoyG1 VAL 91 HG23 -0.39 0.00 -0.17 -0.04 0.95 0.35 3hoyG1 VAL 92 H 0.09 0.44 0.31 -0.55 8.24 8.54 3hoyG1 VAL 92 HA 0.04 0.20 0.91 -0.75 4.13 4.53 3hoyG1 VAL 92 HB 0.09 -0.09 0.19 -0.04 2.12 2.26 3hoyG1 VAL 92 HG13 0.06 -0.02 -0.06 -0.04 0.97 0.91 3hoyG1 VAL 92 HG23 0.05 0.02 -0.14 -0.04 0.95 0.85 3hoyG1 SER 93 H 0.12 0.16 0.31 -0.55 8.46 8.50 3hoyG1 SER 93 HA 0.10 0.21 0.82 -0.75 4.49 4.86 3hoyG1 SER 93 HB2 0.11 -0.03 0.09 -0.04 3.95 4.08 3hoyG1 SER 93 HB3 0.09 0.06 0.08 -0.04 3.93 4.11 3hoyG1 CYS 94 H 0.14 0.21 0.14 -0.55 8.50 8.44 3hoyG1 CYS 94 HA 0.25 0.08 0.74 -0.75 4.58 4.89 3hoyG1 CYS 94 HB2 0.20 0.05 -0.21 -0.04 2.97 2.98 3hoyG1 CYS 94 HB3 0.20 0.04 -0.00 -0.04 2.97 3.16 3hoyG1 SER 95 H 0.16 0.67 0.30 -0.55 8.46 9.04 3hoyG1 SER 95 HA 0.05 0.30 1.02 -0.75 4.49 5.11 3hoyG1 SER 95 HB2 -0.08 -0.02 0.21 -0.04 3.95 4.02 3hoyG1 SER 95 HB3 0.06 0.05 -0.03 -0.04 3.93 3.96 3hoyG1 GLN 96 H -0.45 0.20 0.17 -0.55 8.47 7.84 3hoyG1 GLN 96 HA -1.92 0.13 0.46 -0.75 4.36 2.27 3hoyG1 GLN 96 HB2 -0.32 0.04 0.17 -0.04 2.15 1.99 3hoyG1 GLN 96 HB3 -0.29 0.02 0.14 -0.04 2.02 1.84 3hoyG1 GLN 96 HG2 -0.59 -0.06 0.07 -0.04 2.40 1.77 3hoyG1 GLN 96 HG3 -1.13 0.04 -0.32 -0.04 2.39 0.94 3hoyG1 GLN 96 HE21 -0.05 0.02 0.01 -0.04 6.97 6.91 3hoyG1 GLN 96 HE22 -0.18 -0.01 0.02 -0.04 7.69 7.47 3hoyG1 HIS 97 H -0.18 -0.04 -0.49 -0.55 8.41 7.15 3hoyG1 HIS 97 HA -0.07 0.23 0.95 -0.75 4.63 4.99 3hoyG1 HIS 97 HB2 0.12 0.01 -0.05 -0.04 3.26 3.31 3hoyG1 HIS 97 HB3 0.11 -0.00 0.06 -0.04 3.20 3.33 3hoyG1 HIS 97 HD2 -0.03 0.01 -0.04 -0.04 6.97 6.87 3hoyG1 HIS 97 HE1 -0.00 0.03 -0.04 -0.04 7.75 7.69 3hoyG1 GLY 98 H 0.02 0.23 -0.08 -0.55 8.43 8.06 3hoyG1 GLY 98 HA2 -0.48 0.04 0.25 -0.51 4.01 3.31 3hoyG1 GLY 98 HA3 -0.56 0.43 0.93 -0.51 4.01 4.30 3hoyG1 PHE 99 H -1.10 0.31 0.22 -0.55 8.34 7.21 3hoyG1 PHE 99 HA 0.04 0.13 1.08 -0.75 4.62 5.11 3hoyG1 PHE 99 HB2 -0.02 0.14 0.04 -0.04 3.15 3.27 3hoyG1 PHE 99 HB3 -0.06 0.00 -0.09 -0.04 3.06 2.88 3hoyG1 PHE 99 HD2 -0.28 0.01 -0.34 -0.04 7.28 6.62 3hoyG1 PHE 99 HE2 -0.17 0.01 -0.18 -0.04 7.38 6.99 3hoyG1 PHE 99 HZ -0.12 0.00 -0.18 -0.04 7.32 6.99 3hoyG1 GLU 100 H 0.28 0.56 0.19 -0.55 8.60 9.09 3hoyG1 GLU 100 HA 0.27 0.18 0.98 -0.75 4.29 4.97 3hoyG1 GLU 100 HB2 0.32 -0.05 -0.01 -0.04 2.09 2.30 3hoyG1 GLU 100 HB3 0.19 -0.19 0.19 -0.04 1.99 2.14 3hoyG1 GLU 100 HG2 0.18 0.11 -0.21 -0.04 2.34 2.37 3hoyG1 GLU 100 HG3 0.28 -0.00 -0.17 -0.04 2.34 2.41 3hoyG1 VAL 101 H 0.19 0.62 0.29 -0.55 8.24 8.79 3hoyG1 VAL 101 HA 0.11 0.18 0.63 -0.75 4.13 4.30 3hoyG1 VAL 101 HB 0.16 0.02 -0.01 -0.04 2.12 2.24 3hoyG1 VAL 101 HG13 0.08 -0.04 -0.51 -0.04 0.97 0.46 3hoyG1 VAL 101 HG23 0.20 -0.00 -0.32 -0.04 0.95 0.78 3hoyG1 GLN 102 H 0.06 1.11 0.28 -0.55 8.47 9.37 3hoyG1 GLN 102 HA 0.07 0.13 1.02 -0.75 4.36 4.83 3hoyG1 GLN 102 HB2 0.06 -0.06 0.00 -0.04 2.15 2.11 3hoyG1 GLN 102 HB3 0.04 0.01 0.22 -0.04 2.02 2.25 3hoyG1 GLN 102 HG2 0.02 -0.12 -0.09 -0.04 2.40 2.16 3hoyG1 GLN 102 HG3 0.03 0.35 -0.17 -0.04 2.39 2.55 3hoyG1 GLN 102 HE21 0.04 -0.05 -0.02 -0.04 6.97 6.89 3hoyG1 GLN 102 HE22 0.03 -0.05 -0.00 -0.04 7.69 7.62 3hoyG1 VAL 103 H 0.05 0.23 -0.08 -0.55 8.24 7.89 3hoyG1 VAL 103 HA 0.00 0.13 0.89 -0.75 4.13 4.40 3hoyG1 VAL 103 HB 0.11 -0.05 -0.04 -0.04 2.12 2.10 3hoyG1 VAL 103 HG13 0.05 0.04 -0.20 -0.04 0.97 0.81 3hoyG1 VAL 103 HG23 0.07 -0.00 -0.39 -0.04 0.95 0.59 3hoyG1 GLY 104 H -0.07 0.14 0.11 -0.55 8.43 8.07 3hoyG1 GLY 104 HA2 -0.12 0.02 0.33 -0.51 4.01 3.72 3hoyG1 GLY 104 HA3 -0.45 0.05 0.45 -0.51 4.01 3.55 3hoyG1 PRO 105 HA -0.00 0.08 0.46 -0.51 4.44 4.46 3hoyG1 PRO 105 HB2 0.09 0.05 0.06 -0.04 2.28 2.44 3hoyG1 PRO 105 HB3 0.04 -0.00 0.12 -0.04 2.02 2.14 3hoyG1 PRO 105 HG2 -0.69 0.05 0.06 -0.04 2.03 1.41 3hoyG1 PRO 105 HG3 -0.20 0.01 0.08 -0.04 2.03 1.88 3hoyG1 PRO 105 HD2 -0.87 0.13 0.26 -0.04 3.68 3.16 3hoyG1 PRO 105 HD3 -0.34 0.07 0.19 -0.04 3.65 3.54 3hoyG1 MET 106 H -0.15 0.19 -0.27 -0.55 8.47 7.68 3hoyG1 MET 106 HA -0.03 0.14 0.66 -0.75 4.52 4.54 3hoyG1 MET 106 HB2 -0.24 -0.04 0.06 -0.04 2.15 1.90 3hoyG1 MET 106 HB3 0.15 0.15 0.07 -0.04 2.03 2.36 3hoyG1 MET 106 HG2 0.07 -0.05 -0.18 -0.04 2.63 2.42 3hoyG1 MET 106 HG3 -0.00 0.25 0.16 -0.04 2.56 2.93 3hoyG1 MET 106 HE3 0.22 0.03 -0.12 -0.04 2.10 2.19 3hoyG1 LYS 107 H 0.08 0.28 0.20 -0.55 8.42 8.43 3hoyG1 LYS 107 HA 0.11 0.17 0.87 -0.75 4.32 4.71 3hoyG1 LYS 107 HB2 0.26 -0.05 0.08 -0.04 1.87 2.12 3hoyG1 LYS 107 HB3 0.17 -0.04 -0.10 -0.04 1.79 1.79 3hoyG1 LYS 107 HG2 0.10 0.06 -0.06 -0.04 1.46 1.52 3hoyG1 LYS 107 HG3 0.12 0.07 -0.36 -0.04 1.46 1.26 3hoyG1 LYS 107 HD2 0.14 -0.03 -0.07 -0.04 1.69 1.70 3hoyG1 LYS 107 HD3 0.12 -0.08 -0.11 -0.04 1.68 1.57 3hoyG1 LYS 107 HE2 0.08 0.03 -0.08 -0.04 2.99 2.98 3hoyG1 LYS 107 HE3 0.09 0.06 -0.07 -0.04 2.99 3.03 3hoyG1 VAL 108 H 0.12 0.69 0.27 -0.55 8.24 8.76 3hoyG1 VAL 108 HA 0.13 0.11 0.84 -0.75 4.13 4.46 3hoyG1 VAL 108 HB 0.09 -0.01 -0.05 -0.04 2.12 2.11 3hoyG1 VAL 108 HG13 0.05 -0.02 -0.39 -0.04 0.97 0.58 3hoyG1 VAL 108 HG23 0.09 0.00 -0.22 -0.04 0.95 0.78 3hoyG1 PHE 109 H 0.18 0.62 0.32 -0.55 8.34 8.91 3hoyG1 PHE 109 HA -0.02 0.20 1.14 -0.75 4.62 5.19 3hoyG1 PHE 109 HB2 -0.01 0.00 -0.03 -0.04 3.15 3.07 3hoyG1 PHE 109 HB3 -0.03 0.02 0.17 -0.04 3.06 3.17 3hoyG1 PHE 109 HD2 -0.04 -0.04 -0.26 -0.04 7.28 6.89 3hoyG1 PHE 109 HE2 -0.05 -0.04 -0.35 -0.04 7.38 6.90 3hoyG1 PHE 109 HZ -0.03 -0.11 -0.49 -0.04 7.32 6.65 3hoyG1 VAL 110 H -0.91 0.73 0.30 -0.55 8.24 7.81 3hoyG1 VAL 110 HA -0.46 0.35 1.08 -0.75 4.13 4.35 3hoyG1 VAL 110 HB -1.63 -0.01 0.13 -0.04 2.12 0.58 3hoyG1 VAL 110 HG13 -0.70 -0.01 -0.28 -0.04 0.97 -0.06 3hoyG1 VAL 110 HG23 -0.21 0.06 -0.29 -0.04 0.95 0.47 3hoyG1 THR 111 H -0.34 0.21 0.18 -0.55 8.28 7.78 3hoyG1 THR 111 HA -0.36 0.30 0.70 -0.75 4.39 4.27 3hoyG1 THR 111 HB -0.08 -0.02 0.09 -0.04 4.32 4.27 3hoyG1 THR 111 HG23 -0.01 -0.21 -0.05 -0.04 1.22 0.91 3hoyG1 LYS 112 H -0.25 0.69 0.21 -0.55 8.42 8.51 3hoyG1 LYS 112 HA -0.26 0.05 0.25 -0.75 4.32 3.61 3hoyG1 LYS 112 HB2 -0.05 -0.00 -0.11 -0.04 1.87 1.66 3hoyG1 LYS 112 HB3 -0.37 -0.02 0.08 -0.04 1.79 1.44 3hoyG1 LYS 112 HG2 -0.16 0.00 -0.02 -0.04 1.46 1.24 3hoyG1 LYS 112 HG3 -0.32 0.01 -0.34 -0.04 1.46 0.77 3hoyG1 LYS 112 HD2 0.12 0.05 0.09 -0.04 1.69 1.90 3hoyG1 LYS 112 HD3 0.35 -0.07 0.02 -0.04 1.68 1.93 3hoyG1 LYS 112 HE2 0.09 -0.07 0.03 -0.04 2.99 3.00 3hoyG1 LYS 112 HE3 0.10 0.01 0.02 -0.04 2.99 3.07 3hoyG1 HIS 113 H -0.24 -0.01 -0.61 -0.55 8.41 7.01 3hoyG1 HIS 113 HA -0.01 0.21 0.61 -0.75 4.63 4.69 3hoyG1 HIS 113 HB2 -0.02 -0.03 -0.00 -0.04 3.26 3.17 3hoyG1 HIS 113 HB3 -0.01 0.01 0.15 -0.04 3.20 3.31 3hoyG1 HIS 113 HD2 0.01 -0.01 0.00 -0.04 6.97 6.94 3hoyG1 HIS 113 HE1 0.04 0.02 -0.03 -0.04 7.75 7.73 3hoyG1 LEU 114 H -0.11 1.23 -0.19 -0.55 8.37 8.75 3hoyG1 LEU 114 HA -0.01 0.16 0.84 -0.75 4.35 4.59 3hoyG1 LEU 114 HB2 -0.14 -0.00 0.17 -0.04 1.64 1.64 3hoyG1 LEU 114 HB3 -0.08 -0.18 0.27 -0.04 1.64 1.61 3hoyG1 LEU 114 HG -0.01 0.07 0.03 -0.04 1.64 1.69 3hoyG1 LEU 114 HD13 0.01 -0.05 -0.34 -0.04 0.93 0.51 3hoyG1 LEU 114 HD23 -0.03 -0.02 -0.08 -0.04 0.89 0.72 3hoyG1 MET 115 H -0.05 0.39 -0.16 -0.55 8.47 8.10 3hoyG1 MET 115 HA -0.04 0.04 0.62 -0.75 4.52 4.39 3hoyG1 MET 115 HB2 -0.03 0.27 -0.01 -0.04 2.15 2.33 3hoyG1 MET 115 HB3 -0.01 -0.03 0.05 -0.04 2.03 2.00 3hoyG1 MET 115 HG2 -0.27 -0.07 -0.23 -0.04 2.63 2.02 3hoyG1 MET 115 HG3 -0.28 0.02 -0.35 -0.04 2.56 1.91 3hoyG1 MET 115 HE3 -1.01 -0.02 -0.18 -0.04 2.10 0.85 3hoyG1 PRO 116 HA 0.02 0.08 0.52 -0.51 4.44 4.55 3hoyG1 PRO 116 HB2 0.03 -0.12 0.07 -0.04 2.28 2.21 3hoyG1 PRO 116 HB3 0.02 0.12 0.15 -0.04 2.02 2.26 3hoyG1 PRO 116 HG2 0.05 -0.08 0.03 -0.04 2.03 1.98 3hoyG1 PRO 116 HG3 0.03 0.06 0.07 -0.04 2.03 2.15 3hoyG1 PRO 116 HD2 0.03 0.06 0.17 -0.04 3.68 3.89 3hoyG1 PRO 116 HD3 0.02 0.33 0.13 -0.04 3.65 4.09 3hoyG1 GLN 117 H 0.04 0.08 0.18 -0.55 8.47 8.22 3hoyG1 GLN 117 HA 0.07 0.24 0.43 -0.75 4.36 4.35 3hoyG1 GLN 117 HB2 0.04 -0.08 0.09 -0.04 2.15 2.16 3hoyG1 GLN 117 HB3 0.06 0.03 0.02 -0.04 2.02 2.08 3hoyG1 GLN 117 HG2 0.04 0.00 0.05 -0.04 2.40 2.45 3hoyG1 GLN 117 HG3 0.06 0.10 0.06 -0.04 2.39 2.57 3hoyG1 GLN 117 HE21 0.02 -0.00 0.05 -0.04 6.97 7.00 3hoyG1 GLN 117 HE22 0.02 0.01 0.04 -0.04 7.69 7.72 3hoyG1 ASP 118 H 0.04 0.03 -0.03 -0.55 8.40 7.89 3hoyG1 ASP 118 HA 0.04 0.04 0.32 -0.75 4.63 4.27 3hoyG1 ASP 118 HB2 0.03 -0.07 0.09 -0.04 2.71 2.72 3hoyG1 ASP 118 HB3 0.02 0.01 0.12 -0.04 2.70 2.82 3hoyG1 LEU 119 H 0.07 0.06 -0.84 -0.55 8.37 7.12 3hoyG1 LEU 119 HA 0.10 0.25 0.57 -0.75 4.35 4.52 3hoyG1 LEU 119 HB2 0.08 -0.18 -0.05 -0.04 1.64 1.45 3hoyG1 LEU 119 HB3 0.11 0.26 0.06 -0.04 1.64 2.03 3hoyG1 LEU 119 HG 0.29 0.01 -0.27 -0.04 1.64 1.63 3hoyG1 LEU 119 HD13 0.15 0.03 -0.48 -0.04 0.93 0.59 3hoyG1 LEU 119 HD23 0.10 -0.02 -0.09 -0.04 0.89 0.84 3hoyG1 THR 120 H 0.09 0.48 0.40 -0.55 8.28 8.70 3hoyG1 THR 120 HA 0.15 0.22 1.07 -0.75 4.39 5.08 3hoyG1 THR 120 HB 0.03 -0.05 0.13 -0.04 4.32 4.38 3hoyG1 THR 120 HG23 0.06 0.03 -0.11 -0.04 1.22 1.15 3hoyG1 PHE 121 H 0.04 0.11 0.19 -0.55 8.34 8.12 3hoyG1 PHE 121 HA -1.10 0.16 0.67 -0.75 4.62 3.59 3hoyG1 PHE 121 HB2 -0.67 0.03 0.10 -0.04 3.15 2.58 3hoyG1 PHE 121 HB3 -0.25 -0.04 0.14 -0.04 3.06 2.87 3hoyG1 PHE 121 HD2 -0.55 0.06 -0.03 -0.04 7.28 6.71 3hoyG1 PHE 121 HE2 -0.05 0.02 -0.16 -0.04 7.38 7.15 3hoyG1 PHE 121 HZ -0.04 0.01 -0.08 -0.04 7.32 7.17 3hoyG1 ASN 122 H -0.81 0.80 0.27 -0.55 8.53 8.25 3hoyG1 ASN 122 HA -0.43 0.08 0.87 -0.75 4.76 4.52 3hoyG1 ASN 122 HB2 -0.20 0.06 -0.17 -0.04 2.88 2.53 3hoyG1 ASN 122 HB3 -0.24 -0.01 -0.00 -0.04 2.79 2.50 3hoyG1 ASN 122 HD21 -0.14 0.03 -0.19 -0.04 7.03 6.69 3hoyG1 ASN 122 HD22 -0.23 -0.06 0.01 -0.04 7.74 7.42 3hoyG1 ALA 123 H -0.56 0.17 0.09 -0.55 8.40 7.55 3hoyG1 ALA 123 HA -0.50 0.15 0.61 -0.75 4.34 3.84 3hoyG1 ALA 123 HB3 -0.16 0.00 0.09 -0.04 1.41 1.31 3hoyG1 GLY 124 H -0.19 0.04 0.01 -0.55 8.43 7.75 3hoyG1 GLY 124 HA2 -0.08 0.08 0.31 -0.51 4.01 3.81 3hoyG1 GLY 124 HA3 -0.09 -0.01 0.32 -0.51 4.01 3.72 3hoyG1 SER 125 H -0.15 0.21 -0.99 -0.55 8.46 6.98 3hoyG1 SER 125 HA -0.06 0.19 0.91 -0.75 4.49 4.78 3hoyG1 SER 125 HB2 -0.05 0.04 -0.10 -0.04 3.95 3.80 3hoyG1 SER 125 HB3 -0.09 -0.08 -0.20 -0.04 3.93 3.52 3hoyG1 ASN 126 H -0.03 0.21 0.03 -0.55 8.53 8.20 3hoyG1 ASN 126 HA -0.01 0.05 0.67 -0.75 4.76 4.72 3hoyG1 ASN 126 HB2 -0.01 0.02 -0.21 -0.04 2.88 2.64 3hoyG1 ASN 126 HB3 -0.01 -0.01 0.05 -0.04 2.79 2.78 3hoyG1 ASN 126 HD21 0.01 -0.02 -0.01 -0.04 7.03 6.97 3hoyG1 ASN 126 HD22 0.00 -0.02 -0.04 -0.04 7.74 7.64 3hoyG1 PRO 127 HA 0.02 0.11 0.42 -0.51 4.44 4.48 3hoyG1 PRO 127 HB2 0.04 0.08 0.05 -0.04 2.28 2.40 3hoyG1 PRO 127 HB3 0.02 0.01 0.13 -0.04 2.02 2.13 3hoyG1 PRO 127 HG2 0.01 0.01 0.00 -0.04 2.03 2.02 3hoyG1 PRO 127 HG3 0.01 -0.01 0.06 -0.04 2.03 2.05 3hoyG1 PRO 127 HD2 0.00 0.10 0.31 -0.04 3.68 4.05 3hoyG1 PRO 127 HD3 0.01 0.07 0.20 -0.04 3.65 3.88 3hoyG1 PRO 128 HA -0.04 0.16 0.49 -0.51 4.44 4.55 3hoyG1 PRO 128 HB2 0.17 0.02 0.17 -0.04 2.28 2.59 3hoyG1 PRO 128 HB3 0.17 -0.01 0.17 -0.04 2.02 2.31 3hoyG1 PRO 128 HG2 0.09 -0.04 0.20 -0.04 2.03 2.24 3hoyG1 PRO 128 HG3 0.03 0.18 0.27 -0.04 2.03 2.47 3hoyG1 PRO 128 HD2 0.06 0.04 0.26 -0.04 3.68 4.00 3hoyG1 PRO 128 HD3 0.03 0.06 0.32 -0.04 3.65 4.01 3hoyG1 SER 129 H -0.11 0.37 0.29 -0.55 8.46 8.46 3hoyG1 SER 129 HA 0.14 0.26 1.06 -0.75 4.49 5.20 3hoyG1 SER 129 HB2 0.03 -0.06 -0.00 -0.04 3.95 3.88 3hoyG1 SER 129 HB3 0.01 0.11 -0.20 -0.04 3.93 3.81 3hoyG1 TYR 130 H 0.18 0.52 0.26 -0.55 8.29 8.70 3hoyG1 TYR 130 HA 0.13 0.19 0.81 -0.75 4.56 4.94 3hoyG1 TYR 130 HB2 0.14 0.01 0.05 -0.04 3.06 3.22 3hoyG1 TYR 130 HB3 0.13 -0.01 -0.16 -0.04 2.98 2.90 3hoyG1 TYR 130 HD2 0.21 0.05 -0.41 -0.04 7.15 6.97 3hoyG1 TYR 130 HE2 0.01 0.15 -0.09 -0.04 6.85 6.88 3hoyG1 GLN 131 H 0.04 0.65 0.24 -0.55 8.47 8.86 3hoyG1 GLN 131 HA 0.06 0.15 1.12 -0.75 4.36 4.94 3hoyG1 GLN 131 HB2 -0.01 -0.02 0.02 -0.04 2.15 2.10 3hoyG1 GLN 131 HB3 0.01 0.11 0.03 -0.04 2.02 2.14 3hoyG1 GLN 131 HG2 0.01 0.06 0.08 -0.04 2.40 2.51 3hoyG1 GLN 131 HG3 -0.00 -0.11 -0.33 -0.04 2.39 1.91 3hoyG1 GLN 131 HE21 -0.04 -0.01 -0.10 -0.04 6.97 6.78 3hoyG1 GLN 131 HE22 -0.04 -0.04 -0.15 -0.04 7.69 7.41 3hoyG1 SER 132 H 0.03 0.91 0.30 -0.55 8.46 9.16 3hoyG1 SER 132 HA 0.04 0.33 0.74 -0.75 4.49 4.85 3hoyG1 SER 132 HB2 0.06 0.08 -0.25 -0.04 3.95 3.80 3hoyG1 SER 132 HB3 0.03 -0.31 0.06 -0.04 3.93 3.67 3hoyG1 SER 133 H 0.02 0.14 0.10 -0.55 8.46 8.17 3hoyG1 SER 133 HA 0.01 0.09 0.36 -0.75 4.49 4.20 3hoyG1 SER 133 HB2 0.01 -0.05 0.07 -0.04 3.95 3.93 3hoyG1 SER 133 HB3 0.01 0.04 0.08 -0.04 3.93 4.02 3hoyG1 GLU 134 H 0.01 -0.25 -0.37 -0.55 8.60 7.45 3hoyG1 GLU 134 HA 0.01 0.26 0.87 -0.75 4.29 4.67 3hoyG1 GLU 134 HB2 0.00 0.01 -0.01 -0.04 2.09 2.05 3hoyG1 GLU 134 HB3 0.00 0.06 -0.05 -0.04 1.99 1.96 3hoyG1 GLU 134 HG2 0.01 -0.14 -0.07 -0.04 2.34 2.10 3hoyG1 GLU 134 HG3 0.01 -0.00 -0.07 -0.04 2.34 2.24 3hoyG1 ASP 135 H 0.02 -0.21 -0.02 -0.55 8.40 7.64 3hoyG1 ASP 135 HA 0.01 0.25 0.79 -0.75 4.63 4.93 3hoyG1 ASP 135 HB2 0.03 -0.09 0.04 -0.04 2.71 2.66 3hoyG1 ASP 135 HB3 0.02 0.04 -0.03 -0.04 2.70 2.69 3hoyG1 VAL 136 H 0.00 0.24 0.10 -0.55 8.24 8.04 3hoyG1 VAL 136 HA 0.03 0.18 0.77 -0.75 4.13 4.35 3hoyG1 VAL 136 HB 0.00 -0.02 0.07 -0.04 2.12 2.12 3hoyG1 VAL 136 HG13 0.00 -0.01 -0.19 -0.04 0.97 0.73 3hoyG1 VAL 136 HG23 0.01 0.01 -0.22 -0.04 0.95 0.70 3hoyG1 ILE 137 H 0.06 0.89 0.32 -0.55 8.25 8.97 3hoyG1 ILE 137 HA -0.07 0.15 1.01 -0.75 4.18 4.51 3hoyG1 ILE 137 HB 0.01 0.00 0.08 -0.04 1.89 1.95 3hoyG1 ILE 137 HG12 -0.10 0.06 -0.15 -0.04 1.49 1.25 3hoyG1 ILE 137 HG13 -0.00 -0.14 -0.29 -0.04 1.21 0.74 3hoyG1 ILE 137 HG23 -0.56 0.01 -0.23 -0.04 0.93 0.11 3hoyG1 ILE 137 HD13 -0.01 -0.00 -0.13 -0.04 0.88 0.70 3hoyG1 THR 138 H -0.07 0.23 0.20 -0.55 8.28 8.08 3hoyG1 THR 138 HA 0.02 0.18 0.56 -0.75 4.39 4.40 3hoyG1 THR 138 HB -0.00 -0.09 -0.11 -0.04 4.32 4.07 3hoyG1 THR 138 HG23 0.03 0.14 -0.06 -0.04 1.22 1.29 3hoyG1 ILE 139 H 0.03 0.26 0.02 -0.55 8.25 8.01 3hoyG1 ILE 139 HA 0.02 0.07 0.10 -0.75 4.18 3.62 3hoyG1 ILE 139 HB 0.01 -0.12 0.06 -0.04 1.89 1.80 3hoyG1 ILE 139 HG12 0.05 0.22 0.10 -0.04 1.49 1.82 3hoyG1 ILE 139 HG13 0.05 -0.01 0.09 -0.04 1.21 1.29 3hoyG1 ILE 139 HG23 0.02 0.04 -0.10 -0.04 0.93 0.86 3hoyG1 ILE 139 HD13 0.04 -0.02 0.07 -0.04 0.88 0.93 3hoyG1 LYS 140 H -0.01 -0.02 -0.09 -0.55 8.42 7.74 3hoyG1 LYS 140 HA -0.01 0.15 0.59 -0.75 4.32 4.30 3hoyG1 LYS 140 HB2 -0.01 -0.03 0.12 -0.04 1.87 1.90 3hoyG1 LYS 140 HB3 -0.01 -0.02 0.05 -0.04 1.79 1.76 3hoyG1 LYS 140 HG2 0.00 -0.04 0.03 -0.04 1.46 1.41 3hoyG1 LYS 140 HG3 -0.00 -0.02 0.03 -0.04 1.46 1.43 3hoyG1 LYS 140 HD2 -0.00 -0.01 0.06 -0.04 1.69 1.69 3hoyG1 LYS 140 HD3 0.00 0.08 -0.01 -0.04 1.68 1.71 3hoyG1 LYS 140 HE2 0.01 -0.01 -0.00 -0.04 2.99 2.94 3hoyG1 LYS 140 HE3 0.00 -0.02 0.01 -0.04 2.99 2.94 3hoyG1 SER 141 H -0.05 0.46 0.15 -0.55 8.46 8.48 3hoyG1 SER 141 HA -0.04 -0.04 0.43 -0.75 4.49 4.08 3hoyG1 SER 141 HB2 -0.09 0.09 0.06 -0.04 3.95 3.97 3hoyG1 SER 141 HB3 -0.05 0.03 0.25 -0.04 3.93 4.11 3hoyG1 ARG 142 H -0.04 0.07 0.27 -0.55 8.46 8.21 3hoyG1 ARG 142 HA -0.03 0.17 0.75 -0.75 4.34 4.47 3hoyG1 ARG 142 HB2 -0.02 -0.02 0.15 -0.04 1.90 1.97 3hoyG1 ARG 142 HB3 -0.01 0.01 0.01 -0.04 1.80 1.77 3hoyG1 ARG 142 HG2 -0.02 0.06 0.04 -0.04 1.67 1.72 3hoyG1 ARG 142 HG3 -0.02 -0.01 0.12 -0.04 1.67 1.71 3hoyG1 ARG 142 HD2 -0.01 -0.03 0.02 -0.04 3.22 3.15 3hoyG1 ARG 142 HD3 -0.01 0.00 -0.03 -0.04 3.22 3.14 3hoyG1 ILE 143 H -0.02 0.75 0.39 -0.55 8.25 8.82 3hoyG1 ILE 143 HA -0.02 0.19 0.94 -0.75 4.18 4.54 3hoyG1 ILE 143 HB -0.02 -0.06 -0.12 -0.04 1.89 1.65 3hoyG1 ILE 143 HG12 -0.14 0.00 -0.29 -0.04 1.49 1.03 3hoyG1 ILE 143 HG13 -0.17 0.08 -0.78 -0.04 1.21 0.30 3hoyG1 ILE 143 HG23 0.08 -0.01 -0.36 -0.04 0.93 0.60 3hoyG1 ILE 143 HD13 -0.63 -0.04 -0.23 -0.04 0.88 -0.06 3hoyG1 ARG 144 H 0.03 0.81 0.23 -0.55 8.46 8.98 3hoyG1 ARG 144 HA 0.04 0.05 0.94 -0.75 4.34 4.62 3hoyG1 ARG 144 HB2 0.03 -0.04 -0.05 -0.04 1.90 1.80 3hoyG1 ARG 144 HB3 0.04 0.02 0.10 -0.04 1.80 1.93 3hoyG1 ARG 144 HG2 0.05 -0.02 -0.29 -0.04 1.67 1.36 3hoyG1 ARG 144 HG3 0.04 -0.02 -0.23 -0.04 1.67 1.41 3hoyG1 ARG 144 HD2 0.05 0.13 -0.01 -0.04 3.22 3.35 3hoyG1 ARG 144 HD3 0.04 -0.00 -0.09 -0.04 3.22 3.13 3hoyG1 VAL 145 H 0.06 0.62 0.33 -0.55 8.24 8.70 3hoyG1 VAL 145 HA 0.05 0.20 0.96 -0.75 4.13 4.59 3hoyG1 VAL 145 HB 0.06 0.03 -0.09 -0.04 2.12 2.08 3hoyG1 VAL 145 HG13 0.03 -0.00 -0.23 -0.04 0.97 0.72 3hoyG1 VAL 145 HG23 0.11 0.01 -0.29 -0.04 0.95 0.73 3hoyG1 LYS 146 H 0.03 0.49 0.26 -0.55 8.42 8.64 3hoyG1 LYS 146 HA 0.04 0.22 0.93 -0.75 4.32 4.76 3hoyG1 LYS 146 HB2 0.04 0.04 -0.02 -0.04 1.87 1.89 3hoyG1 LYS 146 HB3 0.03 -0.08 0.19 -0.04 1.79 1.89 3hoyG1 LYS 146 HG2 0.04 0.05 -0.27 -0.04 1.46 1.23 3hoyG1 LYS 146 HG3 0.04 0.06 -0.10 -0.04 1.46 1.42 3hoyG1 LYS 146 HD2 0.03 -0.04 -0.05 -0.04 1.69 1.59 3hoyG1 LYS 146 HD3 0.02 -0.08 -0.11 -0.04 1.68 1.47 3hoyG1 LYS 146 HE2 0.03 -0.00 -0.06 -0.04 2.99 2.91 3hoyG1 LYS 146 HE3 0.03 0.05 -0.04 -0.04 2.99 3.00 3hoyG1 ILE 147 H 0.05 0.63 0.14 -0.55 8.25 8.53 3hoyG1 ILE 147 HA 0.04 0.03 0.59 -0.75 4.18 4.08 3hoyG1 ILE 147 HB 0.06 0.07 0.28 -0.04 1.89 2.26 3hoyG1 ILE 147 HG12 0.06 -0.08 -0.14 -0.04 1.49 1.29 3hoyG1 ILE 147 HG13 0.07 0.09 -0.01 -0.04 1.21 1.31 3hoyG1 ILE 147 HG23 0.04 -0.04 -0.28 -0.04 0.93 0.61 3hoyG1 ILE 147 HD13 0.06 -0.01 -0.09 -0.04 0.88 0.80 3hoyG1 GLU 148 H 0.02 0.58 0.63 -0.55 8.60 9.29 3hoyG1 GLU 148 HA 0.02 0.05 0.65 -0.75 4.29 4.26 3hoyG1 GLU 148 HB2 0.02 0.05 0.09 -0.04 2.09 2.20 3hoyG1 GLU 148 HB3 0.01 -0.02 0.07 -0.04 1.99 2.02 3hoyG1 GLU 148 HG2 0.01 0.01 0.13 -0.04 2.34 2.44 3hoyG1 GLU 148 HG3 0.00 -0.01 -0.02 -0.04 2.34 2.26 3hoyG1 GLY 149 H 0.03 0.32 0.25 -0.55 8.43 8.48 3hoyG1 GLY 149 HA2 0.02 0.07 0.49 -0.51 4.01 4.08 3hoyG1 GLY 149 HA3 0.02 0.07 0.35 -0.51 4.01 3.94 3hoyG1 CYS 150 H -0.00 0.16 0.16 -0.55 8.50 8.27 3hoyG1 CYS 150 HA 0.01 0.30 1.14 -0.75 4.58 5.28 3hoyG1 CYS 150 HB2 -0.06 -0.03 0.01 -0.04 2.97 2.84 3hoyG1 CYS 150 HB3 -0.06 -0.03 0.03 -0.04 2.97 2.86 3hoyG1 ILE 151 H 0.01 0.49 0.17 -0.55 8.25 8.37 3hoyG1 ILE 151 HA -0.00 0.10 0.68 -0.75 4.18 4.20 3hoyG1 ILE 151 HB 0.07 -0.06 0.06 -0.04 1.89 1.92 3hoyG1 ILE 151 HG12 0.01 0.03 -0.18 -0.04 1.49 1.32 3hoyG1 ILE 151 HG13 0.02 -0.12 -1.42 -0.04 1.21 -0.35 3hoyG1 ILE 151 HG23 0.01 0.02 -0.10 -0.04 0.93 0.82 3hoyG1 ILE 151 HD13 0.04 -0.02 -0.25 -0.04 0.88 0.61 3hoyG1 SER 152 H -0.03 0.14 0.08 -0.55 8.46 8.11 3hoyG1 SER 152 HA -0.04 0.09 0.59 -0.75 4.49 4.38 3hoyG1 SER 152 HB2 -0.06 -0.00 -0.04 -0.04 3.95 3.81 3hoyG1 SER 152 HB3 -0.07 0.07 0.09 -0.04 3.93 3.97 3hoyG1 GLN 153 H -0.03 0.39 0.02 -0.55 8.47 8.30 3hoyG1 GLN 153 HA 0.00 0.14 0.99 -0.75 4.36 4.74 3hoyG1 GLN 153 HB2 0.10 0.06 -0.23 -0.04 2.15 2.04 3hoyG1 GLN 153 HB3 0.12 -0.02 0.02 -0.04 2.02 2.10 3hoyG1 GLN 153 HG2 0.05 -0.02 -0.19 -0.04 2.40 2.20 3hoyG1 GLN 153 HG3 0.03 0.00 -0.07 -0.04 2.39 2.31 3hoyG1 GLN 153 HE21 -0.01 -0.02 -0.07 -0.04 6.97 6.84 3hoyG1 GLN 153 HE22 0.01 0.00 -0.07 -0.04 7.69 7.59 3hoyG1 VAL 154 H -0.02 0.16 0.03 -0.55 8.24 7.86 3hoyG1 VAL 154 HA -0.03 0.01 0.38 -0.75 4.13 3.73 3hoyG1 VAL 154 HB -0.01 -0.04 0.20 -0.04 2.12 2.22 3hoyG1 VAL 154 HG13 -0.02 0.02 -0.01 -0.04 0.97 0.93 3hoyG1 VAL 154 HG23 -0.00 -0.02 -0.16 -0.04 0.95 0.73 3hoyG1 SER 155 H -0.03 0.18 0.22 -0.55 8.46 8.28 3hoyG1 SER 155 HA -0.12 0.21 0.86 -0.75 4.49 4.69 3hoyG1 SER 155 HB2 -0.07 0.08 0.22 -0.04 3.95 4.13 3hoyG1 SER 155 HB3 -0.05 -0.02 0.07 -0.04 3.93 3.90 3hoyG1 SER 156 H -0.16 0.28 -0.34 -0.55 8.46 7.70 3hoyG1 SER 156 HA -0.41 0.08 0.26 -0.75 4.49 3.67 3hoyG1 SER 156 HB2 -0.09 -0.05 0.18 -0.04 3.95 3.94 3hoyG1 SER 156 HB3 -0.05 0.36 0.12 -0.04 3.93 4.32 3hoyG1 ILE 157 H 0.01 0.36 0.15 -0.55 8.25 8.23 3hoyG1 ILE 157 HA -0.08 0.04 0.66 -0.75 4.18 4.05 3hoyG1 ILE 157 HB 0.12 0.00 0.04 -0.04 1.89 2.01 3hoyG1 ILE 157 HG12 -0.04 0.02 0.03 -0.04 1.49 1.46 3hoyG1 ILE 157 HG13 0.11 -0.06 -0.56 -0.04 1.21 0.66 3hoyG1 ILE 157 HG23 -0.07 0.01 -0.13 -0.04 0.93 0.70 3hoyG1 ILE 157 HD13 -0.04 0.04 0.03 -0.04 0.88 0.86 3hoyG1 HIS 158 H 0.01 0.39 0.21 -0.55 8.41 8.46 3hoyG1 HIS 158 HA 0.05 0.31 1.05 -0.75 4.63 5.29 3hoyG1 HIS 158 HB2 0.01 -0.01 0.06 -0.04 3.26 3.29 3hoyG1 HIS 158 HB3 0.03 0.02 0.17 -0.04 3.20 3.38 3hoyG1 HIS 158 HD2 0.01 0.02 -0.08 -0.04 6.97 6.87 3hoyG1 HIS 158 HE1 0.05 0.03 -0.03 -0.04 7.75 7.76 3hoyG1 ALA 159 H 0.17 0.41 0.39 -0.55 8.40 8.83 3hoyG1 ALA 159 HA 0.06 0.18 0.84 -0.75 4.34 4.67 3hoyG1 ALA 159 HB3 0.04 -0.00 -0.08 -0.04 1.41 1.33 3hoyG1 ILE 160 H 0.05 0.52 0.41 -0.55 8.25 8.68 3hoyG1 ILE 160 HA 0.10 0.29 1.13 -0.75 4.18 4.95 3hoyG1 ILE 160 HB 0.04 -0.05 0.14 -0.04 1.89 1.98 3hoyG1 ILE 160 HG12 0.17 0.07 -0.03 -0.04 1.49 1.66 3hoyG1 ILE 160 HG13 0.08 -0.07 -0.42 -0.04 1.21 0.75 3hoyG1 ILE 160 HG23 0.04 0.01 0.01 -0.04 0.93 0.95 3hoyG1 ILE 160 HD13 0.06 -0.00 -0.08 -0.04 0.88 0.82 3hoyG1 GLY 161 H -0.04 0.83 0.31 -0.55 8.43 8.98 3hoyG1 GLY 161 HA2 0.00 0.05 1.13 -0.51 4.01 4.68 3hoyG1 GLY 161 HA3 -0.00 -0.00 0.17 -0.51 4.01 3.67 3hoyG1 SER 162 H -0.01 0.59 0.41 -0.55 8.46 8.90 3hoyG1 SER 162 HA -0.09 0.26 1.09 -0.75 4.49 4.99 3hoyG1 SER 162 HB2 -0.02 0.01 0.24 -0.04 3.95 4.13 3hoyG1 SER 162 HB3 -0.03 -0.00 0.06 -0.04 3.93 3.92 3hoyG1 ILE 163 H -0.04 0.75 0.27 -0.55 8.25 8.68 3hoyG1 ILE 163 HA 0.03 0.13 0.70 -0.75 4.18 4.28 3hoyG1 ILE 163 HB 0.05 -0.01 0.08 -0.04 1.89 1.97 3hoyG1 ILE 163 HG12 -0.04 0.07 -0.00 -0.04 1.49 1.47 3hoyG1 ILE 163 HG13 0.02 0.01 -0.01 -0.04 1.21 1.19 3hoyG1 ILE 163 HG23 0.08 0.02 -0.23 -0.04 0.93 0.76 3hoyG1 ILE 163 HD13 0.22 -0.02 -0.09 -0.04 0.88 0.95 3hoyG1 LYS 164 H -0.00 0.03 0.03 -0.55 8.42 7.93 3hoyG1 LYS 164 HA 0.00 0.18 0.75 -0.75 4.32 4.51 3hoyG1 LYS 164 HB2 -0.01 0.04 -0.16 -0.04 1.87 1.70 3hoyG1 LYS 164 HB3 0.00 -0.01 -0.15 -0.04 1.79 1.60 3hoyG1 LYS 164 HG2 0.01 -0.05 -0.10 -0.04 1.46 1.28 3hoyG1 LYS 164 HG3 0.00 -0.13 -0.90 -0.04 1.46 0.39 3hoyG1 LYS 164 HD2 0.02 0.11 -0.18 -0.04 1.69 1.60 3hoyG1 LYS 164 HD3 0.01 -0.02 -0.29 -0.04 1.68 1.34 3hoyG1 LYS 164 HE2 0.01 -0.03 -0.07 -0.04 2.99 2.85 3hoyG1 LYS 164 HE3 0.01 -0.06 -0.06 -0.04 2.99 2.84 3hoyG1 GLU 165 H 0.01 -0.07 -0.11 -0.55 8.60 7.89 3hoyG1 GLU 165 HA 0.01 0.10 0.46 -0.75 4.29 4.10 3hoyG1 GLU 165 HB2 0.04 0.14 -0.04 -0.04 2.09 2.19 3hoyG1 GLU 165 HB3 0.03 -0.02 0.13 -0.04 1.99 2.08 3hoyG1 GLU 165 HG2 0.02 -0.18 0.00 -0.04 2.34 2.14 3hoyG1 GLU 165 HG3 0.03 0.06 -0.02 -0.04 2.34 2.36 3hoyG1 ASP 166 H 0.02 0.08 0.10 -0.55 8.40 8.06 3hoyG1 ASP 166 HA -0.09 0.20 0.67 -0.75 4.63 4.66 3hoyG1 ASP 166 HB2 -0.00 -0.01 0.09 -0.04 2.71 2.74 3hoyG1 ASP 166 HB3 -0.47 0.03 -0.01 -0.04 2.70 2.21 3hoyG1 TYR 167 H -0.25 0.13 0.13 -0.55 8.29 7.76 3hoyG1 TYR 167 HA 0.01 0.02 0.31 -0.75 4.56 4.14 3hoyG1 TYR 167 HB2 0.01 0.21 -0.05 -0.04 3.06 3.19 3hoyG1 TYR 167 HB3 0.01 -0.01 0.16 -0.04 2.98 3.10 3hoyG1 TYR 167 HD2 0.01 0.04 -0.13 -0.04 7.15 7.02 3hoyG1 TYR 167 HE2 0.00 -0.00 -0.03 -0.04 6.85 6.78 3hoyG1 LEU 168 H 0.05 0.11 -0.54 -0.55 8.37 7.44 3hoyG1 LEU 168 HA 0.07 0.20 0.76 -0.75 4.35 4.62 3hoyG1 LEU 168 HB2 0.04 -0.02 -0.21 -0.04 1.64 1.41 3hoyG1 LEU 168 HB3 0.05 0.11 0.17 -0.04 1.64 1.93 3hoyG1 LEU 168 HG 0.07 0.14 -0.41 -0.04 1.64 1.41 3hoyG1 LEU 168 HD13 0.04 -0.06 -0.08 -0.04 0.93 0.78 3hoyG1 LEU 168 HD23 0.06 0.03 -0.30 -0.04 0.89 0.64 3hoyG1 GLY 169 H 0.05 0.55 0.28 -0.55 8.43 8.76 3hoyG1 GLY 169 HA2 0.06 -0.02 0.30 -0.51 4.01 3.84 3hoyG1 GLY 169 HA3 0.03 0.18 0.99 -0.51 4.01 4.70 3hoyG1 ALA 170 H 0.01 0.07 0.13 -0.55 8.40 8.06 3hoyG1 ALA 170 HA -0.03 0.25 0.67 -0.75 4.34 4.48 3hoyG1 ALA 170 HB3 -0.02 -0.01 0.08 -0.04 1.41 1.42 3hoyG1 ILE 171 H -0.01 0.42 0.07 -0.55 8.25 8.18 3hoyG1 ILE 171 HA 0.01 0.24 0.59 -0.75 4.18 4.26 3hoyG1 ILE 171 HB 0.00 -0.00 -0.03 -0.04 1.89 1.83 3hoyG1 ILE 171 HG12 -0.00 -0.00 -0.33 -0.04 1.49 1.12 3hoyG1 ILE 171 HG13 -0.01 0.00 -0.13 -0.04 1.21 1.03 3hoyG1 ILE 171 HG23 0.02 0.03 -0.22 -0.04 0.93 0.72 3hoyG1 ILE 171 HD13 0.00 0.01 -0.23 -0.04 0.88 0.62