#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hb3 s GLN 2 N 0.00 2.47 -0.30 0.54 0.74 -1.26 -5.10 119.66 116.76 2hb3 s GLN 2 Ca 0.00 -1.25 -0.08 0.00 0.05 0.00 0.00 55.36 54.08 2hb3 s GLN 2 Cb 0.00 -3.25 -0.00 0.00 1.10 0.00 0.00 33.01 30.86 2hb3 s GLN 2 CO 0.00 -0.63 0.10 0.42 -0.55 0.00 0.00 175.29 174.63 2hb3 s ILE 3 N 1.29 4.23 0.82 -2.34 1.01 -1.26 -5.09 121.20 119.86 2hb3 s ILE 3 Ca -0.04 -0.53 -0.12 0.00 0.00 0.00 0.00 60.65 59.95 2hb3 s ILE 3 Cb -0.20 -3.15 0.08 0.00 0.01 0.00 0.00 42.46 39.21 2hb3 s ILE 3 CO -0.00 0.11 1.16 0.42 0.00 0.00 0.00 174.94 176.63 2hb3 s THR 4 N 1.55 2.14 -0.14 2.92 -4.23 -1.26 -5.03 115.64 111.60 2hb3 s THR 4 Ca 0.04 0.05 0.18 0.00 -1.18 0.00 0.00 61.69 60.78 2hb3 s THR 4 Cb -0.17 -3.00 0.31 0.00 1.34 0.00 0.00 72.50 70.98 2hb3 s THR 4 CO 0.04 -0.06 1.16 0.18 -0.54 0.00 0.00 174.62 175.40 2hb3 n LEU 5 N -3.37 2.42 0.19 4.79 4.77 -1.26 -4.59 117.00 119.94 2hb3 n LEU 5 Ca 0.08 -3.18 0.04 0.00 -0.03 0.00 0.00 56.01 52.91 2hb3 n LEU 5 Cb 0.60 -0.44 0.39 0.00 -2.33 0.00 0.00 43.42 41.64 2hb3 n LEU 5 CO 0.57 0.79 0.75 -0.50 -1.33 0.00 0.00 177.39 177.66 2hb3 h TRP 6 N 0.14 0.00 -2.06 -1.77 4.06 -2.06 -3.43 115.95 110.83 2hb3 h TRP 6 Ca 0.00 0.00 -0.59 0.00 2.06 0.00 0.00 58.89 60.36 2hb3 h TRP 6 Cb 1.01 0.00 -0.12 0.00 -1.00 0.00 0.00 29.16 29.05 2hb3 h TRP 6 CO 0.09 0.35 -0.68 -1.59 -3.56 0.00 0.00 178.44 173.05 2hb3 s LYS 7 N -4.17 1.95 0.29 0.49 -2.85 -1.26 -5.11 119.74 109.08 2hb3 s LYS 7 Ca -0.03 -1.73 -0.30 0.00 -1.00 0.00 0.00 55.97 52.91 2hb3 s LYS 7 Cb 0.14 -1.88 -0.11 0.00 -2.06 0.00 0.00 37.83 33.91 2hb3 s LYS 7 CO 0.71 0.24 1.62 1.03 0.10 0.00 0.00 175.35 179.04 2hb3 s ARG 8 N -3.63 4.11 -1.40 1.78 0.52 -1.26 -4.87 118.95 114.20 2hb3 s ARG 8 Ca 0.32 2.60 -0.15 0.00 -0.52 0.00 0.00 55.73 57.98 2hb3 s ARG 8 Cb -0.02 -3.02 0.06 0.00 0.52 0.00 0.00 34.95 32.48 2hb3 s ARG 8 CO 0.18 -0.66 2.06 -0.35 0.02 0.00 0.00 175.30 176.54 2hb3 n PRO 9 N 2.37 2.99 -3.06 3.54 -0.04 -1.26 -4.94 135.00 134.60 2hb3 n PRO 9 Ca 0.09 -2.86 -0.39 0.00 -0.04 0.00 0.00 63.50 60.30 2hb3 n PRO 9 Cb 0.37 -3.34 -0.05 0.00 -0.04 0.00 0.00 33.50 30.44 2hb3 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2hb3 s LEU 10 N 2.71 4.49 0.14 1.53 1.43 -1.26 -1.23 118.68 126.49 2hb3 s LEU 10 Ca 0.49 1.42 0.01 0.00 -1.03 0.00 0.00 54.13 55.02 2hb3 s LEU 10 Cb 0.11 -3.15 -0.04 0.00 0.03 0.00 0.00 46.19 43.13 2hb3 s LEU 10 CO -0.03 0.11 -0.01 0.68 0.23 0.00 0.00 176.35 177.33 2hb3 s VAL 11 N -0.47 0.58 0.00 -1.59 -7.23 0.20 -4.96 120.40 106.93 2hb3 s VAL 11 Ca 0.35 -1.95 -0.24 0.00 -1.81 0.00 0.00 61.98 58.33 2hb3 s VAL 11 Cb -0.21 -1.97 -0.05 0.00 0.56 0.00 0.00 36.38 34.71 2hb3 s VAL 11 CO 0.22 -0.60 0.72 -0.89 -0.31 0.00 0.00 175.10 174.25 2hb3 s THR 12 N -3.71 4.86 0.26 5.32 2.01 -1.26 -0.95 115.64 122.17 2hb3 s THR 12 Ca 0.20 1.52 0.10 0.00 0.31 0.00 0.00 61.69 63.82 2hb3 s THR 12 Cb 0.06 -4.07 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 2hb3 s THR 12 CO 0.01 0.33 -0.06 0.27 -0.69 0.00 0.00 174.62 174.48 2hb3 s ILE 13 N 0.22 3.19 -0.10 1.82 -4.36 0.49 -1.32 121.20 121.14 2hb3 s ILE 13 Ca 0.37 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.76 2hb3 s ILE 13 Cb -0.19 -2.69 0.02 0.00 1.25 0.00 0.00 42.46 40.85 2hb3 s ILE 13 CO 0.21 -0.35 -0.09 -0.75 0.24 0.00 0.00 174.94 174.20 2hb3 s LYS 14 N -3.54 1.53 -0.04 0.37 2.20 -0.13 -1.34 119.74 118.80 2hb3 s LYS 14 Ca 0.30 -0.28 -0.02 0.00 -0.36 0.00 0.00 55.97 55.61 2hb3 s LYS 14 Cb -0.06 -1.51 0.03 0.00 -1.51 0.00 0.00 37.83 34.78 2hb3 s LYS 14 CO 0.18 -0.19 0.09 -1.50 -0.36 0.00 0.00 175.35 173.58 2hb3 s ILE 15 N 1.41 -0.04 -1.70 5.43 2.07 -0.49 -0.98 121.20 126.90 2hb3 s ILE 15 Ca -0.01 0.15 -0.01 0.00 -1.41 0.00 0.00 60.65 59.38 2hb3 s ILE 15 Cb -0.13 -0.16 0.00 0.00 0.13 0.00 0.00 42.46 42.29 2hb3 s ILE 15 CO -0.05 0.06 0.12 0.61 -1.91 0.00 0.00 174.94 173.77 2hb3 n GLY 16 N 3.96 -0.50 2.69 1.50 0.00 -1.26 -1.09 105.19 110.47 2hb3 n GLY 16 Ca -0.24 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2hb3 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hb3 n GLY 17 N -1.10 0.61 3.45 -0.02 0.00 -1.26 -5.00 105.19 101.87 2hb3 n GLY 17 Ca -0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 2hb3 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2hb3 s GLN 18 N -0.28 2.41 0.08 1.61 -0.21 -0.25 -5.11 119.66 117.91 2hb3 s GLN 18 Ca 0.00 -0.75 -0.24 0.00 0.02 0.00 0.00 55.36 54.39 2hb3 s GLN 18 Cb 0.00 -2.31 -0.06 0.00 1.00 0.00 0.00 33.01 31.63 2hb3 s GLN 18 CO 0.00 0.61 0.73 -0.51 -2.12 0.00 0.00 175.29 174.00 2hb3 s LEU 19 N -0.78 4.50 0.10 2.90 1.43 -1.26 -1.40 118.68 124.18 2hb3 s LEU 19 Ca 0.12 1.46 -0.02 0.00 -1.03 0.00 0.00 54.13 54.66 2hb3 s LEU 19 Cb -0.10 -3.18 -0.04 0.00 0.03 0.00 0.00 46.19 42.90 2hb3 s LEU 19 CO 0.01 0.12 0.04 -0.54 0.23 0.00 0.00 176.35 176.20 2hb3 s LYS 20 N -0.55 0.81 -0.02 1.70 1.02 -0.45 -4.99 119.74 117.26 2hb3 s LYS 20 Ca 0.36 -1.33 -0.06 0.00 0.02 0.00 0.00 55.97 54.96 2hb3 s LYS 20 Cb -0.21 0.24 -0.04 0.00 -0.52 0.00 0.00 37.83 37.29 2hb3 s LYS 20 CO 0.23 -0.21 0.23 -1.21 -0.92 0.00 0.00 175.35 173.47 2hb3 s GLU 21 N -3.99 3.53 0.06 1.68 0.41 -1.26 -0.38 118.70 118.75 2hb3 s GLU 21 Ca 0.17 -0.14 -0.08 0.00 -0.41 0.00 0.00 54.97 54.51 2hb3 s GLU 21 Cb 0.07 -3.11 -0.00 0.00 -1.78 0.00 0.00 34.13 29.32 2hb3 s GLU 21 CO -0.03 0.68 0.17 0.00 -0.49 0.00 0.00 175.26 175.59 2hb3 s ALA 22 N -1.26 -0.23 -0.22 5.21 0.00 -0.13 -4.47 121.76 120.66 2hb3 s ALA 22 Ca 0.25 -0.52 -0.10 0.00 0.00 0.00 0.00 51.96 51.59 2hb3 s ALA 22 Cb -0.13 0.38 -0.05 0.00 0.00 0.00 0.00 23.12 23.32 2hb3 s ALA 22 CO 0.15 -0.43 0.16 -1.17 0.00 0.00 0.00 175.76 174.46 2hb3 s LEU 23 N -2.52 4.15 -0.28 0.00 2.96 0.13 -0.63 118.68 122.48 2hb3 s LEU 23 Ca 0.01 0.16 -0.29 0.00 -0.22 0.00 0.00 54.13 53.79 2hb3 s LEU 23 Cb 0.02 -2.11 -0.00 0.00 0.50 0.00 0.00 46.19 44.60 2hb3 s LEU 23 CO -0.08 0.10 1.29 -0.76 -1.32 0.00 0.00 176.35 175.58 2hb3 s LEU 24 N 0.83 3.92 -0.38 -0.68 1.43 -0.37 -0.72 118.68 122.72 2hb3 s LEU 24 Ca 0.08 1.27 0.01 0.00 -1.03 0.00 0.00 54.13 54.47 2hb3 s LEU 24 Cb -0.13 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.67 2hb3 s LEU 24 CO 0.02 -1.03 0.15 -0.62 0.23 0.00 0.00 176.35 175.10 2hb3 s ASP 25 N 2.66 4.02 0.33 2.29 -1.08 -0.26 -4.78 116.67 119.85 2hb3 s ASP 25 Ca 0.56 -2.17 0.26 0.00 -0.52 0.00 0.00 52.55 50.68 2hb3 s ASP 25 Cb -0.17 -1.10 1.07 0.00 -1.46 0.00 0.00 42.92 41.26 2hb3 s ASP 25 CO 0.22 -0.34 1.78 0.71 0.52 0.00 0.00 175.17 178.05 2hb3 h THR 26 N 5.98 0.00 -0.06 1.71 1.35 -1.93 -2.03 112.91 117.94 2hb3 h THR 26 Ca -0.07 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 2hb3 h THR 26 Cb 0.98 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 2hb3 h THR 26 CO 0.50 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.38 2hb3 n GLY 27 N 0.07 -0.41 3.49 5.82 0.00 -1.26 -4.80 105.19 108.10 2hb3 n GLY 27 Ca 0.02 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 2hb3 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hb3 s ALA 28 N -1.92 3.07 0.27 4.61 0.00 -0.76 -4.99 121.76 122.04 2hb3 s ALA 28 Ca 0.33 -0.88 0.05 0.00 0.00 0.00 0.00 51.96 51.46 2hb3 s ALA 28 Cb 0.17 -1.70 0.37 0.00 0.00 0.00 0.00 23.12 21.96 2hb3 s ALA 28 CO 0.27 0.05 1.65 -0.44 0.00 0.00 0.00 175.76 177.29 2hb3 h ASP 29 N 7.04 0.30 -3.11 0.00 3.32 -1.87 -0.24 116.42 121.86 2hb3 h ASP 29 Ca -0.34 -0.14 -0.49 0.00 0.02 0.00 0.00 57.03 56.09 2hb3 h ASP 29 Cb 1.18 -0.08 -0.15 0.00 0.22 0.00 0.00 39.33 40.50 2hb3 h ASP 29 CO 0.63 0.72 -0.75 -1.81 -1.72 0.00 0.00 179.24 176.31 2hb3 s ASP 30 N -6.88 2.75 -0.21 6.45 1.01 -1.26 -2.50 116.67 116.04 2hb3 s ASP 30 Ca -0.05 -0.99 -0.16 0.00 0.71 0.00 0.00 52.55 52.06 2hb3 s ASP 30 Cb 0.13 -0.17 -0.04 0.00 1.01 0.00 0.00 42.92 43.86 2hb3 s ASP 30 CO 0.78 -0.11 0.42 -0.89 0.21 0.00 0.00 175.17 175.58 2hb3 s THR 31 N -2.72 5.18 -0.12 -1.27 2.01 -1.26 -3.40 115.64 114.05 2hb3 s THR 31 Ca 0.22 0.74 0.00 0.00 0.31 0.00 0.00 61.69 62.97 2hb3 s THR 31 Cb -0.02 -3.75 0.02 0.00 0.01 0.00 0.00 72.50 68.76 2hb3 s THR 31 CO 0.08 0.23 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.44 2hb3 s VAL 32 N 1.43 1.28 0.13 3.82 1.01 -0.49 -0.64 120.40 126.95 2hb3 s VAL 32 Ca 0.20 -0.47 0.09 0.00 0.00 0.00 0.00 61.98 61.79 2hb3 s VAL 32 Cb -0.15 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 2hb3 s VAL 32 CO 0.08 0.41 -0.21 0.27 0.00 0.00 0.00 175.10 175.65 2hb3 s ILE 33 N 1.43 1.86 0.80 2.22 -4.36 0.28 -0.92 121.20 122.52 2hb3 s ILE 33 Ca 0.01 -1.71 -0.12 0.00 -0.26 0.00 0.00 60.65 58.57 2hb3 s ILE 33 Cb -0.13 -1.74 0.08 0.00 1.25 0.00 0.00 42.46 41.92 2hb3 s ILE 33 CO -0.07 -0.12 1.16 -1.61 0.24 0.00 0.00 174.94 174.54 2hb3 s GLU 34 N -2.23 1.83 -0.17 0.37 0.41 -1.26 -1.69 118.70 115.96 2hb3 s GLU 34 Ca 0.11 1.54 -0.42 0.00 -0.41 0.00 0.00 54.97 55.79 2hb3 s GLU 34 Cb -0.09 -1.82 -0.19 0.00 -1.78 0.00 0.00 34.13 30.25 2hb3 s GLU 34 CO 0.06 -2.03 1.30 -1.91 -0.49 0.00 0.00 175.26 172.19 2hb3 n GLU 35 N -3.37 0.16 -3.70 1.61 4.07 -1.26 -4.70 120.64 113.44 2hb3 n GLU 35 Ca 0.12 0.06 -0.07 0.00 -0.06 0.00 0.00 57.16 57.20 2hb3 n GLU 35 Cb 0.52 -1.58 -0.02 0.00 -0.06 0.00 0.00 31.44 30.30 2hb3 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2hb3 s MET 36 N 1.20 1.41 -0.02 5.31 0.23 -1.26 -5.07 119.30 121.10 2hb3 s MET 36 Ca 0.95 -0.71 -0.20 0.00 -1.03 0.00 0.00 55.69 54.70 2hb3 s MET 36 Cb -1.31 0.52 -0.05 0.00 -1.53 0.00 0.00 34.83 32.46 2hb3 s MET 36 CO 0.65 -0.64 0.56 0.45 -2.03 0.00 0.00 175.02 174.01 2hb3 s SER 37 N -2.84 6.92 0.09 -1.18 0.15 -1.26 -5.07 113.70 110.51 2hb3 s SER 37 Ca 0.09 1.09 0.05 0.00 0.70 0.00 0.00 55.95 57.88 2hb3 s SER 37 Cb -0.03 -2.34 -0.03 0.00 -1.71 0.00 0.00 66.02 61.90 2hb3 s SER 37 CO -0.00 0.10 -0.13 -0.76 1.20 0.00 0.00 173.24 173.65 2hb3 s LEU 38 N -0.13 2.34 0.61 3.45 1.43 -1.26 -4.97 118.68 120.15 2hb3 s LEU 38 Ca 0.30 -0.72 -0.12 0.00 -1.03 0.00 0.00 54.13 52.55 2hb3 s LEU 38 Cb -0.18 -0.46 -0.04 0.00 0.03 0.00 0.00 46.19 45.54 2hb3 s LEU 38 CO 0.16 -0.15 1.03 -2.16 0.23 0.00 0.00 176.35 175.46 2hb3 s PRO 39 N -2.26 3.56 1.04 1.29 0.04 -1.26 -4.95 135.00 132.46 2hb3 s PRO 39 Ca 0.03 0.84 0.00 0.00 0.04 0.00 0.00 61.00 61.91 2hb3 s PRO 39 Cb -0.07 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.40 2hb3 s PRO 39 CO 0.02 -0.60 0.00 0.41 0.04 0.00 0.00 177.00 176.87 2hb3 n GLY 40 N -2.32 -1.83 3.92 0.56 0.00 -1.26 -4.94 105.19 99.32 2hb3 n GLY 40 Ca 0.06 -1.56 -0.26 0.00 0.00 0.00 0.00 46.02 44.27 2hb3 n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hb3 s ARG 41 N 0.00 3.54 0.21 1.61 0.52 -1.26 -5.10 118.95 118.46 2hb3 s ARG 41 Ca 0.00 -0.03 0.08 0.00 -0.52 0.00 0.00 55.73 55.26 2hb3 s ARG 41 Cb 0.00 -2.52 -0.05 0.00 0.52 0.00 0.00 34.95 32.90 2hb3 s ARG 41 CO 0.00 -0.01 -0.15 1.67 0.02 0.00 0.00 175.30 176.82 2hb3 s TRP 42 N -2.49 1.77 0.19 -0.53 1.48 -1.26 -4.58 118.94 113.51 2hb3 s TRP 42 Ca 0.44 -0.54 0.10 0.00 -1.06 0.00 0.00 56.10 55.04 2hb3 s TRP 42 Cb -0.10 -0.82 -0.04 0.00 -1.16 0.00 0.00 33.47 31.35 2hb3 s TRP 42 CO 0.39 0.39 -0.21 0.15 -4.06 0.00 0.00 176.95 173.62 2hb3 s LYS 43 N -3.58 1.41 0.45 3.25 1.02 -0.25 -4.91 119.74 117.12 2hb3 s LYS 43 Ca 0.23 -1.49 -0.18 0.00 0.02 0.00 0.00 55.97 54.55 2hb3 s LYS 43 Cb -0.01 -1.57 -0.09 0.00 -0.52 0.00 0.00 37.83 35.63 2hb3 s LYS 43 CO 0.08 0.33 0.93 -1.25 -0.92 0.00 0.00 175.35 174.52 2hb3 s PRO 44 N -2.81 4.09 -0.16 -1.68 0.04 -1.26 -0.68 135.00 132.53 2hb3 s PRO 44 Ca 0.19 0.99 -0.19 0.00 0.04 0.00 0.00 61.00 62.03 2hb3 s PRO 44 Cb -0.06 -2.20 0.05 0.00 0.04 0.00 0.00 34.50 32.33 2hb3 s PRO 44 CO 0.09 -0.10 0.51 0.21 0.04 0.00 0.00 177.00 177.75 2hb3 s LYS 45 N -3.51 0.66 -0.14 4.56 2.47 -1.17 -4.83 119.74 117.77 2hb3 s LYS 45 Ca 0.60 0.56 -0.04 0.00 -1.56 0.00 0.00 55.97 55.53 2hb3 s LYS 45 Cb -0.09 0.32 -0.03 0.00 -1.46 0.00 0.00 37.83 36.56 2hb3 s LYS 45 CO 0.21 -0.11 -0.01 -1.64 0.16 0.00 0.00 175.35 173.95 2hb3 s MET 46 N -0.07 3.56 0.03 4.03 -1.94 -1.26 -1.24 119.30 122.40 2hb3 s MET 46 Ca -0.03 -0.46 0.06 0.00 -1.71 0.00 0.00 55.69 53.55 2hb3 s MET 46 Cb -0.03 -2.94 -0.02 0.00 2.01 0.00 0.00 34.83 33.85 2hb3 s MET 46 CO 0.02 0.36 -0.18 0.96 -0.01 0.00 0.00 175.02 176.17 2hb3 s ILE 47 N 0.06 1.41 -0.40 2.53 -4.36 -0.22 -4.96 121.20 115.27 2hb3 s ILE 47 Ca 0.01 -1.00 -0.09 0.00 -0.26 0.00 0.00 60.65 59.31 2hb3 s ILE 47 Cb -0.13 -1.22 0.06 0.00 1.25 0.00 0.00 42.46 42.42 2hb3 s ILE 47 CO 0.02 0.20 0.22 -0.83 0.24 0.00 0.00 174.94 174.79 2hb3 s GLY 48 N -0.94 1.94 0.00 6.27 0.00 -1.26 -0.86 107.32 112.47 2hb3 s GLY 48 Ca 0.05 -2.01 0.00 0.00 0.00 0.00 0.00 44.72 42.77 2hb3 s GLY 48 CO 0.01 0.91 0.00 0.61 0.00 0.00 0.00 173.10 174.63 2hb3 n GLY 49 N 4.90 1.64 0.30 0.20 0.00 -0.20 -4.94 105.19 107.09 2hb3 n GLY 49 Ca -0.11 -2.07 0.08 0.00 0.00 0.00 0.00 46.02 43.93 2hb3 n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2hb3 h ILE 50 N -0.08 1.00 -0.02 -0.61 2.10 -2.03 -2.69 117.51 115.18 2hb3 h ILE 50 Ca 0.00 -0.09 0.00 0.00 1.08 0.00 0.00 64.86 65.85 2hb3 h ILE 50 Cb 0.00 0.73 0.00 0.00 -1.09 0.00 0.00 36.82 36.46 2hb3 h ILE 50 CO 0.00 0.05 -0.12 0.61 -1.08 0.00 0.00 178.15 177.60 2hb3 n GLY 51 N -1.52 0.62 0.00 8.18 0.00 -1.26 -5.07 105.19 106.14 2hb3 n GLY 51 Ca 0.02 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.40 2hb3 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hb3 n GLY 52 N 1.29 0.97 3.83 -0.02 0.00 -1.02 -5.11 105.19 105.13 2hb3 n GLY 52 Ca 0.12 -1.97 -0.37 0.00 0.00 0.00 0.00 46.02 43.80 2hb3 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2hb3 s PHE 53 N -1.37 3.71 0.11 1.61 0.40 -1.26 -1.04 117.98 120.14 2hb3 s PHE 53 Ca 0.00 1.18 0.04 0.00 -0.60 0.00 0.00 56.93 57.55 2hb3 s PHE 53 Cb 0.00 -2.44 -0.04 0.00 0.51 0.00 0.00 43.02 41.05 2hb3 s PHE 53 CO 0.00 0.50 -0.09 0.96 0.70 0.00 0.00 175.22 177.29 2hb3 s ILE 54 N -1.29 0.95 0.21 0.64 -4.36 -0.04 -4.96 121.20 112.35 2hb3 s ILE 54 Ca 0.34 -1.79 -0.28 0.00 -0.26 0.00 0.00 60.65 58.65 2hb3 s ILE 54 Cb -0.17 -1.53 -0.09 0.00 1.25 0.00 0.00 42.46 41.92 2hb3 s ILE 54 CO 0.19 -0.66 0.87 -0.54 0.24 0.00 0.00 174.94 175.04 2hb3 s LYS 55 N -3.20 4.73 0.18 0.37 1.02 -1.26 -1.06 119.74 120.52 2hb3 s LYS 55 Ca 0.09 1.34 0.00 0.00 0.02 0.00 0.00 55.97 57.42 2hb3 s LYS 55 Cb -0.00 -3.26 -0.04 0.00 -0.52 0.00 0.00 37.83 34.00 2hb3 s LYS 55 CO -0.01 0.54 0.07 0.14 -0.92 0.00 0.00 175.35 175.17 2hb3 s VAL 56 N -1.18 0.33 -0.26 3.17 -7.23 -0.38 -4.77 120.40 110.09 2hb3 s VAL 56 Ca 0.39 -1.97 -0.11 0.00 -1.81 0.00 0.00 61.98 58.48 2hb3 s VAL 56 Cb -0.25 -2.29 -0.05 0.00 0.56 0.00 0.00 36.38 34.35 2hb3 s VAL 56 CO 0.29 -0.27 0.19 -0.13 -0.31 0.00 0.00 175.10 174.88 2hb3 s ARG 57 N -4.04 4.02 -0.29 4.82 0.52 -0.48 -3.05 118.95 120.45 2hb3 s ARG 57 Ca 0.30 -0.27 -0.12 0.00 -0.52 0.00 0.00 55.73 55.13 2hb3 s ARG 57 Cb 0.07 -3.60 -0.04 0.00 0.52 0.00 0.00 34.95 31.90 2hb3 s ARG 57 CO 0.07 -0.06 0.23 -1.14 0.02 0.00 0.00 175.30 174.41 2hb3 s GLN 58 N 1.42 3.85 -0.19 3.54 0.74 0.14 -0.41 119.66 128.76 2hb3 s GLN 58 Ca 0.08 -0.35 -0.03 0.00 0.05 0.00 0.00 55.36 55.10 2hb3 s GLN 58 Cb -0.15 -3.69 -0.02 0.00 1.10 0.00 0.00 33.01 30.25 2hb3 s GLN 58 CO 0.08 -0.26 -0.05 0.71 -0.55 0.00 0.00 175.29 175.22 2hb3 s TYR 59 N 1.80 2.96 0.20 1.67 1.51 -0.49 -1.09 117.35 123.90 2hb3 s TYR 59 Ca 0.08 -0.68 0.01 0.00 -1.01 0.00 0.00 57.07 55.46 2hb3 s TYR 59 Cb -0.16 -2.03 -0.04 0.00 -0.11 0.00 0.00 41.96 39.62 2hb3 s TYR 59 CO 0.11 -0.34 0.37 -0.51 -1.11 0.00 0.00 175.55 174.07 2hb3 s ASP 60 N 0.99 6.36 -1.19 2.29 1.01 -1.26 -0.91 116.67 123.96 2hb3 s ASP 60 Ca 0.00 0.31 -0.04 0.00 0.71 0.00 0.00 52.55 53.54 2hb3 s ASP 60 Cb -0.15 -1.97 0.00 0.00 1.01 0.00 0.00 42.92 41.82 2hb3 s ASP 60 CO 0.00 -0.03 1.01 1.67 0.21 0.00 0.00 175.17 178.03 2hb3 n GLN 61 N -0.76 -6.76 -3.52 8.23 7.27 -1.11 -4.90 117.38 115.83 2hb3 n GLN 61 Ca -0.06 0.79 -0.37 0.00 0.07 0.00 0.00 57.00 57.43 2hb3 n GLN 61 Cb 0.54 -5.66 -0.07 0.00 2.41 0.00 0.00 30.24 27.46 2hb3 n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2hb3 s ILE 62 N -3.32 5.26 -0.06 1.69 -1.09 0.02 -4.71 121.20 118.99 2hb3 s ILE 62 Ca 0.24 0.63 -0.30 0.00 -2.23 0.00 0.00 60.65 58.99 2hb3 s ILE 62 Cb -0.11 -3.66 -0.03 0.00 -1.58 0.00 0.00 42.46 37.09 2hb3 s ILE 62 CO 0.68 0.43 1.11 -0.63 -1.23 0.00 0.00 174.94 175.30 2hb3 s ILE 63 N 0.14 4.50 -0.09 2.92 1.01 -1.26 -1.34 121.20 127.08 2hb3 s ILE 63 Ca 0.19 1.80 -0.05 0.00 0.00 0.00 0.00 60.65 62.59 2hb3 s ILE 63 Cb -0.14 -4.15 0.04 0.00 0.01 0.00 0.00 42.46 38.22 2hb3 s ILE 63 CO 0.06 0.02 0.20 -0.51 0.00 0.00 0.00 174.94 174.72 2hb3 s ILE 64 N 1.96 -0.04 -0.10 2.92 2.07 -0.48 -4.45 121.20 123.09 2hb3 s ILE 64 Ca 0.53 0.13 -0.12 0.00 -1.41 0.00 0.00 60.65 59.78 2hb3 s ILE 64 Cb -0.22 -0.32 -0.05 0.00 0.13 0.00 0.00 42.46 42.01 2hb3 s ILE 64 CO 0.21 0.05 0.28 -0.70 -1.91 0.00 0.00 174.94 172.88 2hb3 s GLU 65 N 1.01 3.90 -0.19 3.50 2.12 -0.15 -1.32 118.70 127.58 2hb3 s GLU 65 Ca -0.07 0.13 -0.01 0.00 0.36 0.00 0.00 54.97 55.37 2hb3 s GLU 65 Cb -0.09 -3.29 0.05 0.00 0.26 0.00 0.00 34.13 31.06 2hb3 s GLU 65 CO -0.06 0.55 -0.04 0.42 -0.54 0.00 0.00 175.26 175.59 2hb3 s ILE 66 N -0.49 1.10 -1.66 -3.70 1.01 0.47 -0.95 121.20 116.98 2hb3 s ILE 66 Ca 0.18 -0.75 -0.17 0.00 0.00 0.00 0.00 60.65 59.91 2hb3 s ILE 66 Cb -0.14 -1.36 0.14 0.00 0.01 0.00 0.00 42.46 41.11 2hb3 s ILE 66 CO 0.07 0.01 0.83 0.00 0.00 0.00 0.00 174.94 175.85 2hb3 n ALA 67 N 4.86 -1.29 -0.93 9.38 0.00 -0.43 -0.79 120.51 131.31 2hb3 n ALA 67 Ca -0.11 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2hb3 n ALA 67 Cb 0.47 -3.68 0.00 0.00 0.00 0.00 0.00 19.45 16.24 2hb3 n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hb3 n GLY 68 N -1.49 0.83 3.65 0.00 0.00 -1.26 -5.03 105.19 101.90 2hb3 n GLY 68 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 2hb3 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2hb3 s HIS 69 N -3.28 3.16 -0.01 1.61 4.02 0.03 -5.09 115.29 115.72 2hb3 s HIS 69 Ca 0.00 0.12 -0.23 0.00 1.02 0.00 0.00 55.06 55.97 2hb3 s HIS 69 Cb 0.00 -1.85 -0.05 0.00 -1.02 0.00 0.00 32.58 29.66 2hb3 s HIS 69 CO 0.00 0.37 0.68 0.21 1.02 0.00 0.00 174.74 177.01 2hb3 s LYS 70 N -0.57 4.41 0.10 1.40 2.47 -1.26 -0.40 119.74 125.89 2hb3 s LYS 70 Ca 0.10 0.87 0.05 0.00 -1.56 0.00 0.00 55.97 55.42 2hb3 s LYS 70 Cb -0.12 -3.39 -0.03 0.00 -1.46 0.00 0.00 37.83 32.83 2hb3 s LYS 70 CO 0.02 0.23 -0.12 0.00 0.16 0.00 0.00 175.35 175.64 2hb3 s ALA 71 N 0.21 1.21 -0.14 3.13 0.00 -0.43 -4.80 121.76 120.94 2hb3 s ALA 71 Ca 0.35 -1.15 -0.04 0.00 0.00 0.00 0.00 51.96 51.12 2hb3 s ALA 71 Cb -0.19 -0.03 0.06 0.00 0.00 0.00 0.00 23.12 22.96 2hb3 s ALA 71 CO 0.19 0.05 0.10 0.42 0.00 0.00 0.00 175.76 176.52 2hb3 s ILE 72 N -2.03 -0.13 0.00 0.00 1.01 -1.26 -1.38 121.20 117.41 2hb3 s ILE 72 Ca 0.04 0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.71 2hb3 s ILE 72 Cb -0.05 -0.46 0.00 0.00 0.01 0.00 0.00 42.46 41.95 2hb3 s ILE 72 CO 0.01 -0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.43 2hb3 n GLY 73 N 5.29 1.22 3.71 6.18 0.00 -0.45 -4.78 105.19 116.37 2hb3 n GLY 73 Ca -0.06 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 2hb3 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hb3 s THR 74 N -2.32 4.88 -0.11 2.61 2.01 -1.26 -0.80 115.64 120.66 2hb3 s THR 74 Ca 0.00 1.98 0.03 0.00 0.31 0.00 0.00 61.69 64.01 2hb3 s THR 74 Cb 0.00 -4.28 0.01 0.00 0.01 0.00 0.00 72.50 68.24 2hb3 s THR 74 CO 0.00 0.15 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.20 2hb3 s VAL 75 N 1.10 1.78 -0.11 3.82 1.01 -0.09 -4.49 120.40 123.42 2hb3 s VAL 75 Ca 0.50 -0.84 -0.13 0.00 0.00 0.00 0.00 61.98 61.51 2hb3 s VAL 75 Cb -0.20 -1.58 -0.05 0.00 0.00 0.00 0.00 36.38 34.55 2hb3 s VAL 75 CO 0.26 0.50 0.29 -0.76 0.00 0.00 0.00 175.10 175.39 2hb3 s LEU 76 N 0.66 4.33 -0.17 3.92 1.43 0.18 -1.39 118.68 127.63 2hb3 s LEU 76 Ca -0.12 0.61 -0.02 0.00 -1.03 0.00 0.00 54.13 53.57 2hb3 s LEU 76 Cb -0.16 -2.37 -0.01 0.00 0.03 0.00 0.00 46.19 43.68 2hb3 s LEU 76 CO 0.03 0.21 -0.10 -0.69 0.23 0.00 0.00 176.35 176.03 2hb3 s VAL 77 N -0.19 3.12 -0.78 -1.59 1.01 0.46 -0.55 120.40 121.88 2hb3 s VAL 77 Ca 0.18 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.55 2hb3 s VAL 77 Cb -0.14 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 33.88 2hb3 s VAL 77 CO 0.06 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.26 2hb3 n GLY 78 N 4.14 -1.32 3.57 4.51 0.00 -0.68 -1.38 105.19 114.02 2hb3 n GLY 78 Ca -0.18 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.45 2hb3 n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2hb3 s PRO 79 N -1.22 3.38 0.06 1.61 0.04 -1.26 -4.07 135.00 133.53 2hb3 s PRO 79 Ca 0.00 0.05 0.08 0.00 0.04 0.00 0.00 61.00 61.17 2hb3 s PRO 79 Cb 0.00 -4.08 -0.03 0.00 0.04 0.00 0.00 34.50 30.43 2hb3 s PRO 79 CO 0.00 -1.87 -0.21 -0.08 0.04 0.00 0.00 177.00 174.88 2hb3 s THR 80 N 5.29 1.69 0.53 1.26 -1.32 -1.26 -5.03 115.64 116.80 2hb3 s THR 80 Ca 0.40 -1.28 0.18 0.00 -1.21 0.00 0.00 61.69 59.78 2hb3 s THR 80 Cb -0.08 -1.48 0.28 0.00 -1.51 0.00 0.00 72.50 69.71 2hb3 s THR 80 CO 0.21 0.15 2.17 1.55 -2.21 0.00 0.00 174.62 176.49 2hb3 h PRO 81 N 4.69 0.00 -2.97 7.08 0.13 -1.98 -3.44 132.00 135.50 2hb3 h PRO 81 Ca -0.43 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.62 2hb3 h PRO 81 Cb 1.16 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.12 2hb3 h PRO 81 CO 0.43 0.00 -0.10 0.14 -0.23 0.00 0.00 178.00 178.24 2hb3 s VAL 82 N -4.99 0.05 0.21 1.56 -7.23 -1.26 -5.13 120.40 103.61 2hb3 s VAL 82 Ca -0.05 -0.43 -0.31 0.00 -1.81 0.00 0.00 61.98 59.38 2hb3 s VAL 82 Cb 0.17 -0.92 -0.11 0.00 0.56 0.00 0.00 36.38 36.08 2hb3 s VAL 82 CO 0.65 -0.24 1.63 0.20 -0.31 0.00 0.00 175.10 177.03 2hb3 s ASN 83 N -1.89 6.47 -0.06 4.85 0.01 -1.26 -4.87 114.94 118.19 2hb3 s ASN 83 Ca -0.06 2.77 0.04 0.00 -0.71 0.00 0.00 52.86 54.90 2hb3 s ASN 83 Cb -0.01 -2.60 0.00 0.00 0.41 0.00 0.00 41.25 39.05 2hb3 s ASN 83 CO -0.01 -0.89 -0.17 0.27 -1.51 0.00 0.00 177.10 174.79 2hb3 s ILE 84 N 0.92 1.42 -0.43 0.60 -4.36 -0.09 -0.70 121.20 118.56 2hb3 s ILE 84 Ca 0.70 -0.69 -0.17 0.00 -0.26 0.00 0.00 60.65 60.24 2hb3 s ILE 84 Cb -0.47 -1.24 0.03 0.00 1.25 0.00 0.00 42.46 42.03 2hb3 s ILE 84 CO 0.35 0.41 0.42 -0.63 0.24 0.00 0.00 174.94 175.73 2hb3 s ILE 85 N 0.25 5.12 0.47 8.37 -1.09 0.11 -1.39 121.20 133.04 2hb3 s ILE 85 Ca -0.09 -0.46 0.02 0.00 -2.23 0.00 0.00 60.65 57.89 2hb3 s ILE 85 Cb -0.14 -4.04 0.09 0.00 -1.58 0.00 0.00 42.46 36.80 2hb3 s ILE 85 CO 0.03 -0.43 0.65 0.61 -1.23 0.00 0.00 174.94 174.57 2hb3 n GLY 86 N 5.13 1.00 0.21 6.18 0.00 -1.22 -1.10 105.19 115.40 2hb3 n GLY 86 Ca -0.08 -2.05 0.05 0.00 0.00 0.00 0.00 46.02 43.94 2hb3 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2hb3 h ARG 87 N 0.00 0.00 -0.86 1.61 3.08 -1.00 -0.70 114.38 116.52 2hb3 h ARG 87 Ca -0.21 0.00 0.14 0.00 0.07 0.00 0.00 59.98 59.98 2hb3 h ARG 87 Cb 0.84 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.82 2hb3 h ARG 87 CO 0.25 0.24 0.56 -2.95 -1.07 0.00 0.00 179.97 177.00 2hb3 h ASN 88 N 0.00 0.60 0.05 7.04 -0.00 -1.76 -1.10 115.58 120.42 2hb3 h ASN 88 Ca -0.00 0.03 -0.26 0.00 -0.00 0.00 0.00 56.30 56.07 2hb3 h ASN 88 Cb 0.45 -0.08 -0.05 0.00 -0.00 0.00 0.00 38.32 38.64 2hb3 h ASN 88 CO 0.03 0.31 -2.22 0.18 -0.00 0.00 0.00 177.43 175.73 2hb3 n LEU 89 N -4.54 0.07 -0.28 6.14 4.77 -0.73 -4.06 117.00 118.36 2hb3 n LEU 89 Ca 0.16 0.03 -0.00 0.00 -0.03 0.00 0.00 56.01 56.17 2hb3 n LEU 89 Cb 0.47 0.34 0.19 0.00 -2.33 0.00 0.00 43.42 42.09 2hb3 n LEU 89 CO 0.30 0.35 1.26 -0.07 -1.33 0.00 0.00 177.39 177.91 2hb3 h LEU 90 N 0.00 0.98 -1.07 2.23 3.38 -0.95 -1.52 115.31 118.36 2hb3 h LEU 90 Ca -0.38 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.50 2hb3 h LEU 90 Cb 1.88 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 42.38 2hb3 h LEU 90 CO 0.02 0.70 -0.05 0.71 0.09 0.00 0.00 178.44 179.92 2hb3 h THR 91 N 1.15 1.23 -0.05 0.22 1.35 -1.38 -1.27 112.91 114.15 2hb3 h THR 91 Ca 0.32 -0.95 -0.07 0.00 -0.55 0.00 0.00 66.41 65.15 2hb3 h THR 91 Cb -0.11 1.00 -0.01 0.00 -1.73 0.00 0.00 68.15 67.30 2hb3 h THR 91 CO -0.07 0.32 -0.31 1.56 -0.25 0.00 0.00 175.52 176.77 2hb3 h GLN 92 N 0.56 0.09 -0.10 4.72 4.20 -1.44 -2.30 115.11 120.86 2hb3 h GLN 92 Ca 0.11 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.79 2hb3 h GLN 92 Cb 0.43 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.21 2hb3 h GLN 92 CO 0.02 0.40 0.00 0.44 -0.67 0.00 0.00 178.83 179.02 2hb3 n ILE 93 N -4.14 0.11 -1.29 2.54 -5.35 -0.95 -4.94 119.36 105.33 2hb3 n ILE 93 Ca -0.02 -0.35 0.00 0.00 -0.27 0.00 0.00 62.75 62.11 2hb3 n ILE 93 Cb 0.37 0.63 0.00 0.00 -1.74 0.00 0.00 39.64 38.91 2hb3 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2hb3 n GLY 94 N 1.21 0.57 3.76 3.28 0.00 -0.86 -5.03 105.19 108.11 2hb3 n GLY 94 Ca 0.17 -0.82 -0.39 0.00 0.00 0.00 0.00 46.02 44.98 2hb3 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hb3 s ALA 95 N -2.00 3.33 0.14 4.61 0.00 -0.51 -5.03 121.76 122.30 2hb3 s ALA 95 Ca 0.00 0.58 0.03 0.00 0.00 0.00 0.00 51.96 52.57 2hb3 s ALA 95 Cb 0.00 -3.18 -0.04 0.00 0.00 0.00 0.00 23.12 19.89 2hb3 s ALA 95 CO 0.00 0.21 -0.05 0.95 0.00 0.00 0.00 175.76 176.87 2hb3 s THR 96 N -1.24 0.85 -0.09 0.00 -4.23 -1.26 -4.71 115.64 104.95 2hb3 s THR 96 Ca 0.42 -1.99 -0.07 0.00 -1.18 0.00 0.00 61.69 58.87 2hb3 s THR 96 Cb -0.25 -1.89 -0.04 0.00 1.34 0.00 0.00 72.50 71.67 2hb3 s THR 96 CO 0.30 -0.70 0.17 -0.76 -0.54 0.00 0.00 174.62 173.09 2hb3 s LEU 97 N -3.13 4.39 -0.01 4.79 1.43 -1.26 -5.10 118.68 119.79 2hb3 s LEU 97 Ca 0.17 0.49 0.01 0.00 -1.03 0.00 0.00 54.13 53.77 2hb3 s LEU 97 Cb 0.05 -2.22 0.01 0.00 0.03 0.00 0.00 46.19 44.05 2hb3 s LEU 97 CO -0.00 0.37 -0.01 0.20 0.23 0.00 0.00 176.35 177.14 2hb3 s ASN 98 N -1.21 0.26 0.00 2.29 0.01 -1.26 -5.29 114.94 109.74 2hb3 s ASN 98 Ca 0.18 -0.03 0.00 0.00 -0.71 0.00 0.00 52.86 52.31 2hb3 s ASN 98 Cb -0.12 -0.08 0.00 0.00 0.41 0.00 0.00 41.25 41.46 2hb3 s ASN 98 CO 0.08 -0.02 0.00 2.22 -1.51 0.00 0.00 177.10 177.86