#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hk6 n MET 4 N 0.00 2.92 -3.65 -1.40 2.00 -1.26 -5.11 117.12 110.62 1hk6 n MET 4 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 57.70 57.69 1hk6 n MET 4 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 33.22 33.15 1hk6 n MET 4 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 175.97 176.47 1hk6 s ARG 5 N 0.00 0.16 -0.01 0.03 3.52 -1.26 -5.18 118.95 116.21 1hk6 s ARG 5 Ca 0.00 0.24 -0.01 0.00 -0.13 0.00 0.00 55.73 55.83 1hk6 s ARG 5 Cb 0.00 0.05 0.00 0.00 -1.56 0.00 0.00 34.95 33.44 1hk6 s ARG 5 CO 0.00 -0.03 0.03 -0.65 -0.81 0.00 0.00 175.30 173.84 1hk6 s GLN 6 N 0.70 0.09 0.52 5.12 1.11 -1.26 -5.14 119.66 120.79 1hk6 s GLN 6 Ca -0.02 -0.04 -0.22 0.00 0.01 0.00 0.00 55.36 55.09 1hk6 s GLN 6 Cb -0.04 0.04 -0.07 0.00 -1.01 0.00 0.00 33.01 31.93 1hk6 s GLN 6 CO -0.12 -0.01 1.20 -0.35 0.01 0.00 0.00 175.29 176.01 1hk6 n PRO 7 N 2.84 1.51 -1.67 2.91 -0.04 -1.26 -4.90 135.00 134.39 1hk6 n PRO 7 Ca -0.14 0.55 -0.44 0.00 -0.04 0.00 0.00 63.50 63.44 1hk6 n PRO 7 Cb 0.59 -2.36 -0.01 0.00 -0.04 0.00 0.00 33.50 31.67 1hk6 n PRO 7 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1hk6 n PRO 8 N -0.62 1.91 -3.76 0.54 -0.02 -1.25 -4.82 135.00 126.98 1hk6 n PRO 8 Ca 0.10 0.67 -0.27 0.00 -2.02 0.00 0.00 63.50 61.98 1hk6 n PRO 8 Cb 0.43 -2.22 -0.17 0.00 -0.02 0.00 0.00 33.50 31.53 1hk6 n PRO 8 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1hk6 s LEU 9 N -0.44 1.22 0.18 2.45 0.20 -0.76 -1.01 118.68 120.52 1hk6 s LEU 9 Ca 0.59 -0.73 -0.25 0.00 0.69 0.00 0.00 54.13 54.42 1hk6 s LEU 9 Cb -0.62 -0.63 -0.08 0.00 -0.43 0.00 0.00 46.19 44.42 1hk6 s LEU 9 CO 0.59 -0.28 0.79 -0.69 -0.29 0.00 0.00 176.35 176.47 1hk6 s VAL 10 N 1.83 4.35 -0.35 1.68 1.01 -0.37 -1.24 120.40 127.30 1hk6 s VAL 10 Ca -0.00 1.71 0.09 0.00 0.00 0.00 0.00 61.98 63.77 1hk6 s VAL 10 Cb -0.16 -4.13 0.34 0.00 0.00 0.00 0.00 36.38 32.43 1hk6 s VAL 10 CO -0.07 0.48 1.35 1.07 0.00 0.00 0.00 175.10 177.93 1hk6 n THR 11 N 1.48 0.00 -3.64 3.92 5.66 -0.53 -3.67 114.28 117.49 1hk6 n THR 11 Ca -0.05 -1.18 -0.04 0.00 -3.05 0.00 0.00 64.05 59.73 1hk6 n THR 11 Cb 0.49 0.93 -0.06 0.00 -1.55 0.00 0.00 70.33 70.14 1hk6 n THR 11 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1hk6 s GLY 12 N -1.02 0.18 -0.29 1.09 0.00 -0.93 -4.87 107.32 101.49 1hk6 s GLY 12 Ca 0.15 3.17 -0.15 0.00 0.00 0.00 0.00 44.72 47.88 1hk6 s GLY 12 CO -0.09 1.73 0.81 -1.50 0.00 0.00 0.00 173.10 174.05 1hk6 s ILE 13 N -0.18 -0.14 0.03 0.90 2.07 -1.26 -2.14 121.20 120.48 1hk6 s ILE 13 Ca 0.06 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 59.00 1hk6 s ILE 13 Cb -0.04 -1.00 -0.17 0.00 0.13 0.00 0.00 42.46 41.38 1hk6 s ILE 13 CO -0.12 0.00 1.32 -1.28 -1.91 0.00 0.00 174.94 172.96 1hk6 h SER 14 N 6.80 -0.82 -3.37 4.50 0.87 -1.96 -3.40 113.55 116.18 1hk6 h SER 14 Ca -0.27 0.00 -0.64 0.00 -1.23 0.00 0.00 61.79 59.66 1hk6 h SER 14 Cb 1.19 0.21 -0.14 0.00 -0.44 0.00 0.00 62.40 63.23 1hk6 h SER 14 CO 0.16 -0.48 0.33 -2.16 -0.53 0.00 0.00 176.83 174.15 1hk6 s PRO 15 N -5.23 3.29 -0.21 2.24 0.04 -1.26 -4.90 135.00 128.98 1hk6 s PRO 15 Ca -0.16 -0.39 0.04 0.00 0.04 0.00 0.00 61.00 60.53 1hk6 s PRO 15 Cb 0.02 -4.02 0.40 0.00 0.04 0.00 0.00 34.50 30.94 1hk6 s PRO 15 CO 0.52 -1.27 1.40 0.09 0.04 0.00 0.00 177.00 177.77 1hk6 n ASN 16 N 6.81 3.50 0.00 6.66 4.13 -1.26 -4.79 115.26 130.31 1hk6 n ASN 16 Ca -0.01 -2.76 0.00 0.00 1.68 0.00 0.00 54.58 53.50 1hk6 n ASN 16 Cb 0.47 -0.66 0.00 0.00 -1.54 0.00 0.00 39.78 38.05 1hk6 n ASN 16 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 1hk6 n GLU 17 N -0.14 0.00 0.00 3.52 0.28 -1.26 -4.44 120.64 118.60 1hk6 n GLU 17 Ca 0.27 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.27 1hk6 n GLU 17 Cb 1.02 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.89 1hk6 n GLU 17 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1hk6 n GLY 18 N -0.00 2.72 3.49 -1.84 0.00 -1.25 -5.04 105.19 103.28 1hk6 n GLY 18 Ca 0.00 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.27 1hk6 n GLY 18 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1hk6 n ILE 19 N -0.65 1.83 -0.35 -0.61 -5.35 -1.26 -3.28 119.36 109.69 1hk6 n ILE 19 Ca 0.00 -0.38 0.24 0.00 -0.27 0.00 0.00 62.75 62.34 1hk6 n ILE 19 Cb 0.00 -0.79 0.50 0.00 -1.74 0.00 0.00 39.64 37.61 1hk6 n ILE 19 CO 0.00 0.00 0.00 -0.65 -1.76 0.00 0.00 176.55 174.14 1hk6 h PRO 20 N -0.43 0.37 0.00 6.28 0.11 -1.84 0.21 132.00 136.69 1hk6 h PRO 20 Ca -0.46 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 1hk6 h PRO 20 Cb 1.34 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1hk6 h PRO 20 CO 0.43 0.24 -0.22 -1.49 -0.21 0.00 0.00 178.00 176.75 1hk6 h TRP 21 N 0.38 0.00 -2.45 0.65 4.06 -1.88 0.10 115.95 116.81 1hk6 h TRP 21 Ca 0.66 0.00 -0.55 0.00 2.06 0.00 0.00 58.89 61.06 1hk6 h TRP 21 Cb 1.63 0.00 0.05 0.00 -1.00 0.00 0.00 29.16 29.84 1hk6 h TRP 21 CO -0.00 0.22 0.96 2.41 -3.56 0.00 0.00 178.44 178.47 1hk6 n THR 22 N -3.31 0.10 -2.06 1.49 -1.04 0.72 -4.61 114.28 105.58 1hk6 n THR 22 Ca 0.01 -0.02 -0.42 0.00 -2.04 0.00 0.00 64.05 61.58 1hk6 n THR 22 Cb 0.47 -1.85 -0.03 0.00 -1.82 0.00 0.00 70.33 67.10 1hk6 n THR 22 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1hk6 s LYS 23 N 1.54 4.27 -0.13 -2.82 1.02 -1.26 -3.81 119.74 118.55 1hk6 s LYS 23 Ca 0.79 2.21 0.02 0.00 0.02 0.00 0.00 55.97 59.01 1hk6 s LYS 23 Cb -0.57 -3.22 0.01 0.00 -0.52 0.00 0.00 37.83 33.53 1hk6 s LYS 23 CO 0.36 -0.52 -0.20 0.14 -0.92 0.00 0.00 175.35 174.21 1hk6 s VAL 24 N 1.17 1.91 -0.25 3.17 -7.23 -1.18 -4.87 120.40 113.12 1hk6 s VAL 24 Ca 0.67 -0.89 -0.29 0.00 -1.81 0.00 0.00 61.98 59.66 1hk6 s VAL 24 Cb -0.40 -1.70 -0.00 0.00 0.56 0.00 0.00 36.38 34.84 1hk6 s VAL 24 CO 0.31 0.52 1.28 -0.89 -0.31 0.00 0.00 175.10 176.00 1hk6 s THR 25 N 0.86 4.21 0.11 5.32 2.01 -1.26 -4.09 115.64 122.80 1hk6 s THR 25 Ca -0.07 1.41 -0.27 0.00 0.31 0.00 0.00 61.69 63.07 1hk6 s THR 25 Cb -0.15 -4.11 -0.07 0.00 0.01 0.00 0.00 72.50 68.18 1hk6 s THR 25 CO -0.02 -0.35 0.83 -0.63 -0.69 0.00 0.00 174.62 173.76 1hk6 s ILE 26 N 4.03 4.52 -0.03 1.82 1.01 -1.10 -3.76 121.20 127.69 1hk6 s ILE 26 Ca 0.55 1.79 -0.01 0.00 0.00 0.00 0.00 60.65 62.98 1hk6 s ILE 26 Cb -0.18 -4.19 0.02 0.00 0.01 0.00 0.00 42.46 38.12 1hk6 s ILE 26 CO 0.19 0.41 0.07 -0.60 0.00 0.00 0.00 174.94 175.01 1hk6 s ARG 27 N -0.43 0.03 0.00 2.79 6.06 -0.91 -3.08 118.95 123.41 1hk6 s ARG 27 Ca 0.40 0.20 0.00 0.00 -2.50 0.00 0.00 55.73 53.83 1hk6 s ARG 27 Cb -0.22 -0.14 0.00 0.00 0.06 0.00 0.00 34.95 34.65 1hk6 s ARG 27 CO 0.26 -0.11 0.00 0.41 -2.50 0.00 0.00 175.30 173.36 1hk6 n GLY 28 N 3.81 1.87 3.23 8.12 0.00 -1.26 -1.46 105.19 119.50 1hk6 n GLY 28 Ca -0.22 0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 1hk6 n GLY 28 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1hk6 s GLU 29 N 4.40 0.36 -1.27 1.61 0.41 -0.37 -4.81 118.70 119.03 1hk6 s GLU 29 Ca 0.00 0.68 -0.03 0.00 -0.41 0.00 0.00 54.97 55.20 1hk6 s GLU 29 Cb 0.00 0.01 0.01 0.00 -1.78 0.00 0.00 34.13 32.36 1hk6 s GLU 29 CO 0.00 -0.14 1.04 0.09 -0.49 0.00 0.00 175.26 175.76 1hk6 n ASN 30 N 3.95 -3.46 -2.35 -0.19 3.02 -1.16 -1.83 115.26 113.23 1hk6 n ASN 30 Ca -0.21 -0.62 -0.20 0.00 -0.03 0.00 0.00 54.58 53.52 1hk6 n ASN 30 Cb 0.55 -4.97 -0.12 0.00 -0.61 0.00 0.00 39.78 34.62 1hk6 n ASN 30 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1hk6 n LEU 31 N -4.44 6.14 -0.71 3.41 4.32 -1.17 -3.83 117.00 120.71 1hk6 n LEU 31 Ca -0.18 -3.57 0.00 0.00 -0.02 0.00 0.00 56.01 52.23 1hk6 n LEU 31 Cb 0.63 -1.42 0.00 0.00 -1.62 0.00 0.00 43.42 41.01 1hk6 n LEU 31 CO 0.63 1.79 -0.15 0.61 -1.22 0.00 0.00 177.39 179.05 1hk6 n GLY 32 N 2.45 -3.97 2.07 -0.72 0.00 -1.26 -4.71 105.19 99.05 1hk6 n GLY 32 Ca 0.51 -0.74 -0.21 0.00 0.00 0.00 0.00 46.02 45.58 1hk6 n GLY 32 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1hk6 n THR 33 N 0.07 2.98 0.00 2.61 -2.24 -1.26 -4.27 114.28 112.18 1hk6 n THR 33 Ca 0.00 -2.08 0.00 0.00 -2.27 0.00 0.00 64.05 59.70 1hk6 n THR 33 Cb 0.00 -1.38 0.00 0.00 -2.10 0.00 0.00 70.33 66.85 1hk6 n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hk6 n GLY 34 N 0.35 2.21 0.19 3.38 0.00 -1.26 -4.96 105.19 105.09 1hk6 n GLY 34 Ca 0.37 -0.25 -0.05 0.00 0.00 0.00 0.00 46.02 46.09 1hk6 n GLY 34 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1hk6 h PRO 35 N 0.00 0.42 -0.53 1.61 0.11 -1.95 -2.02 132.00 129.64 1hk6 h PRO 35 Ca 0.00 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.06 1hk6 h PRO 35 Cb 0.00 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 30.99 1hk6 h PRO 35 CO 0.00 0.28 0.23 0.00 -0.21 0.00 0.00 178.00 178.30 1hk6 h THR 36 N 0.44 1.19 -0.77 -1.15 1.03 -2.00 -2.29 112.91 109.35 1hk6 h THR 36 Ca 0.19 -0.56 0.10 0.00 -0.01 0.00 0.00 66.41 66.13 1hk6 h THR 36 Cb 0.10 0.53 -0.05 0.00 -1.07 0.00 0.00 68.15 67.67 1hk6 h THR 36 CO -0.14 0.23 0.50 0.44 -0.01 0.00 0.00 175.52 176.54 1hk6 h ASP 37 N 0.75 0.62 0.00 0.00 5.19 -1.74 -3.14 116.42 118.10 1hk6 h ASP 37 Ca 0.18 0.02 -0.54 0.00 -0.62 0.00 0.00 57.03 56.07 1hk6 h ASP 37 Cb 0.12 -0.11 0.02 0.00 0.18 0.00 0.00 39.33 39.54 1hk6 h ASP 37 CO -0.02 0.37 3.18 -0.11 -3.12 0.00 0.00 179.24 179.54 1hk6 n LEU 38 N -4.50 6.70 -0.14 1.55 0.00 -0.86 -2.34 117.00 117.41 1hk6 n LEU 38 Ca 0.13 -3.62 -0.12 0.00 0.00 0.00 0.00 56.01 52.40 1hk6 n LEU 38 Cb 0.34 -1.33 -0.01 0.00 0.00 0.00 0.00 43.42 42.41 1hk6 n LEU 38 CO 0.32 1.24 0.61 0.16 0.00 0.00 0.00 177.39 179.72 1hk6 h ILE 39 N 3.33 1.27 -3.66 1.96 3.07 -1.69 -3.44 117.51 118.35 1hk6 h ILE 39 Ca 0.67 -1.47 -0.68 0.00 1.55 0.00 0.00 64.86 64.92 1hk6 h ILE 39 Cb 0.27 1.25 -0.19 0.00 -0.27 0.00 0.00 36.82 37.88 1hk6 h ILE 39 CO 1.65 0.50 -0.69 -0.83 -1.05 0.00 0.00 178.15 177.72 1hk6 s GLY 40 N -3.78 1.69 -0.12 0.16 0.00 -1.25 -5.02 107.32 99.00 1hk6 s GLY 40 Ca -0.11 -0.89 -0.07 0.00 0.00 0.00 0.00 44.72 43.64 1hk6 s GLY 40 CO 0.88 -0.65 0.30 -2.27 0.00 0.00 0.00 173.10 171.35 1hk6 s LEU 41 N -0.78 0.37 -0.13 0.66 1.98 -1.26 -1.67 118.68 117.85 1hk6 s LEU 41 Ca 0.12 0.64 -0.13 0.00 -2.89 0.00 0.00 54.13 51.87 1hk6 s LEU 41 Cb -0.11 0.96 0.04 0.00 0.66 0.00 0.00 46.19 47.74 1hk6 s LEU 41 CO 0.01 -0.16 0.37 0.42 -1.89 0.00 0.00 176.35 175.11 1hk6 s THR 42 N 1.07 0.00 -0.04 3.68 -4.23 -1.12 -2.59 115.64 112.41 1hk6 s THR 42 Ca -0.07 -0.04 -0.00 0.00 -1.18 0.00 0.00 61.69 60.39 1hk6 s THR 42 Cb -0.08 -0.54 0.03 0.00 1.34 0.00 0.00 72.50 73.24 1hk6 s THR 42 CO -0.08 -0.02 0.01 -0.63 -0.54 0.00 0.00 174.62 173.36 1hk6 s ILE 43 N 0.06 0.20 -1.45 2.99 1.01 0.11 -1.93 121.20 122.18 1hk6 s ILE 43 Ca -0.01 0.14 -0.08 0.00 0.00 0.00 0.00 60.65 60.70 1hk6 s ILE 43 Cb -0.03 -0.33 0.02 0.00 0.01 0.00 0.00 42.46 42.13 1hk6 s ILE 43 CO 0.01 0.18 0.91 0.00 0.00 0.00 0.00 174.94 176.04 1hk6 n GLY 45 N -1.75 0.59 2.91 0.00 0.00 -1.26 -2.05 105.19 103.62 1hk6 n GLY 45 Ca -0.03 -0.29 -0.23 0.00 0.00 0.00 0.00 46.02 45.46 1hk6 n GLY 45 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1hk6 s HIS 46 N -2.65 1.11 0.33 1.61 5.65 -0.33 -4.85 115.29 116.16 1hk6 s HIS 46 Ca 0.00 -0.43 -0.29 0.00 0.25 0.00 0.00 55.06 54.59 1hk6 s HIS 46 Cb 0.00 -0.95 -0.11 0.00 -1.18 0.00 0.00 32.58 30.35 1hk6 s HIS 46 CO 0.00 -0.33 1.45 0.54 -0.65 0.00 0.00 174.74 175.75 1hk6 s ASN 47 N 1.26 6.52 -0.28 9.88 4.22 -1.26 -0.71 114.94 134.57 1hk6 s ASN 47 Ca -0.05 2.86 0.18 0.00 -2.14 0.00 0.00 52.86 53.72 1hk6 s ASN 47 Cb -0.14 -2.65 0.45 0.00 1.28 0.00 0.00 41.25 40.20 1hk6 s ASN 47 CO -0.02 -0.76 1.29 0.00 -2.04 0.00 0.00 177.10 175.57 1hk6 h LEU 49 N 1.82 0.55 -0.78 0.00 5.85 -1.90 -0.67 115.31 120.18 1hk6 h LEU 49 Ca -0.28 -0.47 0.16 0.00 0.84 0.00 0.00 57.88 58.12 1hk6 h LEU 49 Cb 1.31 -0.16 -0.10 0.00 0.37 0.00 0.00 40.66 42.08 1hk6 h LEU 49 CO 0.01 0.91 0.31 0.17 -0.34 0.00 0.00 178.44 179.50 1hk6 h LEU 50 N 0.20 0.27 0.20 2.25 -0.00 -1.95 -1.80 115.31 114.48 1hk6 h LEU 50 Ca 0.04 0.12 -0.31 0.00 -0.00 0.00 0.00 57.88 57.72 1hk6 h LEU 50 Cb 0.75 0.10 0.02 0.00 -0.00 0.00 0.00 40.66 41.54 1hk6 h LEU 50 CO 0.05 0.08 -1.43 0.71 -0.00 0.00 0.00 178.44 177.85 1hk6 h THR 51 N 0.43 1.32 -2.72 0.15 1.35 -1.96 -3.45 112.91 108.03 1hk6 h THR 51 Ca 0.44 -2.83 -0.52 0.00 -0.55 0.00 0.00 66.41 62.95 1hk6 h THR 51 Cb 0.71 2.97 0.06 0.00 -1.73 0.00 0.00 68.15 70.15 1hk6 h THR 51 CO -0.43 0.84 1.00 0.00 -0.25 0.00 0.00 175.52 176.68 1hk6 s ALA 52 N -2.62 3.92 -0.08 6.62 0.00 -0.26 -4.68 121.76 124.66 1hk6 s ALA 52 Ca -0.08 1.58 0.02 0.00 0.00 0.00 0.00 51.96 53.48 1hk6 s ALA 52 Cb 0.05 -3.69 0.01 0.00 0.00 0.00 0.00 23.12 19.50 1hk6 s ALA 52 CO 0.91 -0.92 -0.15 -2.00 0.00 0.00 0.00 175.76 173.61 1hk6 s GLU 53 N 1.07 1.99 0.50 0.00 2.56 -0.86 -4.87 118.70 119.10 1hk6 s GLU 53 Ca 0.74 -0.51 -0.23 0.00 0.00 0.00 0.00 54.97 54.97 1hk6 s GLU 53 Cb -0.49 -1.62 -0.06 0.00 2.00 0.00 0.00 34.13 33.96 1hk6 s GLU 53 CO 0.33 0.04 1.28 -0.46 -0.56 0.00 0.00 175.26 175.89 1hk6 s TRP 54 N 0.66 2.56 0.00 5.30 -0.00 -1.26 -3.37 118.94 122.83 1hk6 s TRP 54 Ca -0.14 1.43 0.00 0.00 -0.00 0.00 0.00 56.10 57.39 1hk6 s TRP 54 Cb -0.16 -3.63 0.00 0.00 -0.00 0.00 0.00 33.47 29.68 1hk6 s TRP 54 CO 0.04 -2.30 0.00 -1.33 -0.00 0.00 0.00 176.95 173.36 1hk6 n MET 55 N -0.69 0.00 -3.48 5.86 2.81 -1.23 -4.91 117.12 115.49 1hk6 n MET 55 Ca 0.08 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.88 1hk6 n MET 55 Cb 0.46 -0.21 -0.02 0.00 -0.71 0.00 0.00 33.22 32.74 1hk6 n MET 55 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1hk6 s SER 56 N -4.13 -0.45 0.00 7.83 0.01 -0.25 -4.97 113.70 111.74 1hk6 s SER 56 Ca 0.00 -0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.25 1hk6 s SER 56 Cb 0.00 0.48 0.00 0.00 0.21 0.00 0.00 66.02 66.71 1hk6 s SER 56 CO 0.00 -0.78 0.59 0.00 0.41 0.00 0.00 173.24 173.46 1hk6 n ALA 57 N -0.31 2.13 -1.58 1.44 0.00 -1.26 -1.98 120.51 118.95 1hk6 n ALA 57 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1hk6 n ALA 57 Cb 0.63 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.08 1hk6 n ALA 57 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1hk6 n SER 58 N 0.54 0.00 -3.64 0.00 7.64 -1.26 -3.01 113.62 113.89 1hk6 n SER 58 Ca 0.00 -0.60 -0.05 0.00 1.01 0.00 0.00 58.87 59.23 1hk6 n SER 58 Cb 0.29 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.43 1hk6 n SER 58 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1hk6 s LYS 59 N 0.00 0.53 -0.16 1.43 2.20 -0.84 -4.02 119.74 118.88 1hk6 s LYS 59 Ca 0.00 0.90 -0.05 0.00 -0.36 0.00 0.00 55.97 56.45 1hk6 s LYS 59 Cb 0.00 0.12 0.08 0.00 -1.51 0.00 0.00 37.83 36.52 1hk6 s LYS 59 CO 0.00 -0.11 0.32 0.42 -0.36 0.00 0.00 175.35 175.62 1hk6 s ILE 60 N 1.38 -0.50 0.04 5.43 1.01 -1.18 -1.09 121.20 126.29 1hk6 s ILE 60 Ca -0.09 0.21 -0.24 0.00 0.00 0.00 0.00 60.65 60.53 1hk6 s ILE 60 Cb -0.04 -0.55 -0.05 0.00 0.01 0.00 0.00 42.46 41.83 1hk6 s ILE 60 CO -0.16 0.08 0.74 0.54 0.00 0.00 0.00 174.94 176.14 1hk6 s VAL 61 N 2.49 4.75 -0.16 2.92 0.11 -1.22 -2.70 120.40 126.60 1hk6 s VAL 61 Ca 0.01 1.58 -0.30 0.00 -2.93 0.00 0.00 61.98 60.33 1hk6 s VAL 61 Cb -0.12 -4.09 0.13 0.00 -1.53 0.00 0.00 36.38 30.77 1hk6 s VAL 61 CO -0.10 0.37 1.05 0.00 -3.33 0.00 0.00 175.10 173.09 1hk6 s ARG 63 N -1.58 4.54 0.28 0.00 0.52 -1.26 -3.10 118.95 118.35 1hk6 s ARG 63 Ca 0.02 1.15 -0.30 0.00 -0.52 0.00 0.00 55.73 56.08 1hk6 s ARG 63 Cb -0.01 -3.35 -0.13 0.00 0.52 0.00 0.00 34.95 31.98 1hk6 s ARG 63 CO -0.02 0.31 1.45 0.28 0.02 0.00 0.00 175.30 177.34 1hk6 n VAL 64 N 2.65 1.16 0.00 3.52 0.31 0.36 -4.93 118.33 121.40 1hk6 n VAL 64 Ca -0.02 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 1hk6 n VAL 64 Cb 0.50 -1.66 0.00 0.00 -0.91 0.00 0.00 33.84 31.76 1hk6 n VAL 64 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1hk6 n GLY 65 N 1.90 -0.40 3.64 2.92 0.00 -1.26 -4.32 105.19 107.66 1hk6 n GLY 65 Ca 0.09 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 1hk6 n GLY 65 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1hk6 s GLN 66 N 0.00 0.59 -0.91 1.61 -2.07 -1.26 -4.76 119.66 112.86 1hk6 s GLN 66 Ca 0.00 0.72 -0.27 0.00 -1.82 0.00 0.00 55.36 53.99 1hk6 s GLN 66 Cb 0.00 0.28 -0.24 0.00 -1.09 0.00 0.00 33.01 31.95 1hk6 s GLN 66 CO 0.00 -0.07 2.00 0.00 -1.32 0.00 0.00 175.29 175.90 1hk6 n ALA 67 N 2.45 0.58 0.03 2.60 0.00 -1.26 -4.59 120.51 120.32 1hk6 n ALA 67 Ca -0.13 -2.44 -0.13 0.00 0.00 0.00 0.00 53.44 50.74 1hk6 n ALA 67 Cb 0.56 -3.44 -0.09 0.00 0.00 0.00 0.00 19.45 16.48 1hk6 n ALA 67 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1hk6 h LYS 68 N 11.06 -0.07 0.00 0.00 1.63 -1.74 -3.38 116.57 124.06 1hk6 h LYS 68 Ca 0.08 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.89 1hk6 h LYS 68 Cb 0.93 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.58 1hk6 h LYS 68 CO 1.23 0.26 0.00 0.09 -3.45 0.00 0.00 179.45 177.59 1hk6 n ASN 69 N -4.96 0.00 0.00 4.20 3.02 -1.25 -5.04 115.26 111.23 1hk6 n ASN 69 Ca -0.08 0.46 0.00 0.00 -0.03 0.00 0.00 54.58 54.93 1hk6 n ASN 69 Cb 0.20 -0.41 0.00 0.00 -0.61 0.00 0.00 39.78 38.96 1hk6 n ASN 69 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1hk6 n ASP 70 N -1.72 0.00 0.00 6.41 -0.08 -1.26 -5.12 116.55 114.78 1hk6 n ASP 70 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1hk6 n ASP 70 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1hk6 n ASP 70 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1hk6 n LYS 71 N 0.00 0.00 0.00 -0.67 4.01 -1.26 -4.97 118.16 115.27 1hk6 n LYS 71 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1hk6 n LYS 71 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 1hk6 n LYS 71 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1hk6 n GLY 72 N 4.55 0.00 3.72 0.72 0.00 -1.26 -4.80 105.19 108.13 1hk6 n GLY 72 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1hk6 n GLY 72 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1hk6 s ASP 73 N 0.00 6.68 -0.02 1.61 1.01 -1.26 -2.13 116.67 122.56 1hk6 s ASP 73 Ca 0.00 2.53 -0.25 0.00 0.71 0.00 0.00 52.55 55.54 1hk6 s ASP 73 Cb 0.00 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 1hk6 s ASP 73 CO 0.00 -0.75 0.76 -0.63 0.21 0.00 0.00 175.17 174.76 1hk6 s ILE 74 N 0.97 4.91 -0.01 0.77 1.01 -1.26 -3.11 121.20 124.49 1hk6 s ILE 74 Ca 0.67 1.59 0.05 0.00 0.00 0.00 0.00 60.65 62.96 1hk6 s ILE 74 Cb -0.41 -4.10 -0.01 0.00 0.01 0.00 0.00 42.46 37.94 1hk6 s ILE 74 CO 0.32 0.28 -0.16 -0.63 0.00 0.00 0.00 174.94 174.75 1hk6 s ILE 75 N 0.52 1.29 -0.04 2.92 -1.09 -0.81 -4.09 121.20 119.90 1hk6 s ILE 75 Ca 0.40 -0.70 -0.02 0.00 -2.23 0.00 0.00 60.65 58.10 1hk6 s ILE 75 Cb -0.19 -1.08 0.03 0.00 -1.58 0.00 0.00 42.46 39.64 1hk6 s ILE 75 CO 0.21 0.37 0.05 -0.69 -1.23 0.00 0.00 174.94 173.65 1hk6 s VAL 76 N -0.38 -0.06 0.03 2.92 1.01 -1.26 -2.81 120.40 119.85 1hk6 s VAL 76 Ca 0.06 0.38 -0.12 0.00 0.00 0.00 0.00 61.98 62.31 1hk6 s VAL 76 Cb -0.06 -0.18 -0.06 0.00 0.00 0.00 0.00 36.38 36.08 1hk6 s VAL 76 CO -0.01 0.18 0.39 -0.89 0.00 0.00 0.00 175.10 174.77 1hk6 s THR 77 N 2.05 5.09 -0.01 3.92 2.01 -0.67 -0.49 115.64 127.53 1hk6 s THR 77 Ca 0.04 0.62 0.01 0.00 0.31 0.00 0.00 61.69 62.67 1hk6 s THR 77 Cb -0.12 -3.66 0.01 0.00 0.01 0.00 0.00 72.50 68.73 1hk6 s THR 77 CO -0.03 0.44 -0.03 0.42 -0.69 0.00 0.00 174.62 174.73 1hk6 s THR 78 N -1.23 0.30 0.13 -0.82 -4.23 -1.07 -3.89 115.64 104.83 1hk6 s THR 78 Ca 0.28 -0.10 -0.21 0.00 -1.18 0.00 0.00 61.69 60.47 1hk6 s THR 78 Cb -0.15 -0.30 -0.04 0.00 1.34 0.00 0.00 72.50 73.36 1hk6 s THR 78 CO 0.15 0.11 1.69 0.11 -0.54 0.00 0.00 174.62 176.15 1hk6 h LYS 79 N 6.45 -0.07 0.29 3.99 1.57 -1.81 -3.04 116.57 123.95 1hk6 h LYS 79 Ca -0.32 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.45 1hk6 h LYS 79 Cb 1.18 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1hk6 h LYS 79 CO 0.50 -0.04 -0.14 0.77 -0.57 0.00 0.00 179.45 179.96 1hk6 h SER 80 N -0.07 -0.33 0.00 0.86 0.02 -1.97 -3.44 113.55 108.62 1hk6 h SER 80 Ca 0.09 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1hk6 h SER 80 Cb 0.20 0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1hk6 h SER 80 CO -0.20 0.05 0.00 0.61 -1.14 0.00 0.00 176.83 176.16 1hk6 n GLY 81 N -0.21 0.72 0.00 -3.77 0.00 -1.16 -5.08 105.19 95.68 1hk6 n GLY 81 Ca -0.09 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1hk6 n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hk6 n GLY 82 N 4.80 2.76 3.71 -0.02 0.00 -1.17 -4.76 105.19 110.52 1hk6 n GLY 82 Ca 0.00 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 1hk6 n GLY 82 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1hk6 s LYS 83 N 4.49 4.20 -0.07 1.61 2.20 -1.26 -2.58 119.74 128.34 1hk6 s LYS 83 Ca 0.00 2.39 -0.27 0.00 -0.36 0.00 0.00 55.97 57.73 1hk6 s LYS 83 Cb 0.00 -3.24 -0.03 0.00 -1.51 0.00 0.00 37.83 33.05 1hk6 s LYS 83 CO 0.00 -0.65 0.86 0.20 -0.36 0.00 0.00 175.35 175.40 1hk6 s GLY 84 N 1.42 2.60 0.05 5.54 0.00 0.35 -4.51 107.32 112.77 1hk6 s GLY 84 Ca 0.71 0.29 0.01 0.00 0.00 0.00 0.00 44.72 45.73 1hk6 s GLY 84 CO 0.32 1.53 0.11 -0.51 0.00 0.00 0.00 173.10 174.55 1hk6 s THR 85 N 1.26 4.83 -0.21 0.90 -4.23 -0.18 -4.00 115.64 114.01 1hk6 s THR 85 Ca 0.44 -0.55 -0.11 0.00 -1.18 0.00 0.00 61.69 60.29 1hk6 s THR 85 Cb -0.19 -3.30 0.07 0.00 1.34 0.00 0.00 72.50 70.43 1hk6 s THR 85 CO 0.21 0.20 0.50 -0.55 -0.54 0.00 0.00 174.62 174.44 1hk6 s SER 86 N -2.22 -0.64 0.14 3.99 0.15 -1.26 -1.24 113.70 112.63 1hk6 s SER 86 Ca 0.29 1.12 0.01 0.00 0.70 0.00 0.00 55.95 58.07 1hk6 s SER 86 Cb -0.12 1.13 -0.10 0.00 -1.71 0.00 0.00 66.02 65.21 1hk6 s SER 86 CO 0.21 -0.21 1.31 0.71 1.20 0.00 0.00 173.24 176.45 1hk6 h THR 87 N 5.53 1.53 -3.76 6.45 1.35 -1.94 -3.44 112.91 118.63 1hk6 h THR 87 Ca -0.30 -2.84 -0.49 0.00 -0.55 0.00 0.00 66.41 62.23 1hk6 h THR 87 Cb 1.18 2.63 -0.03 0.00 -1.73 0.00 0.00 68.15 70.20 1hk6 h THR 87 CO 0.22 0.82 0.15 0.68 -0.25 0.00 0.00 175.52 177.15 1hk6 s VAL 88 N -3.01 4.58 0.00 6.82 -7.23 -1.26 -5.06 120.40 115.24 1hk6 s VAL 88 Ca -0.03 1.15 0.00 0.00 -1.81 0.00 0.00 61.98 61.30 1hk6 s VAL 88 Cb 0.09 -3.68 -0.00 0.00 0.56 0.00 0.00 36.38 33.36 1hk6 s VAL 88 CO 0.84 -0.12 -0.01 -0.44 -0.31 0.00 0.00 175.10 175.06 1hk6 s SER 89 N -2.11 0.12 -0.02 4.85 0.01 -1.26 -4.07 113.70 111.23 1hk6 s SER 89 Ca 0.53 -0.03 -0.25 0.00 1.31 0.00 0.00 55.95 57.51 1hk6 s SER 89 Cb -0.12 -0.01 -0.04 0.00 0.21 0.00 0.00 66.02 66.06 1hk6 s SER 89 CO 0.18 0.00 0.76 0.12 0.41 0.00 0.00 173.24 174.71 1hk6 s PHE 90 N -0.07 3.65 -0.20 2.43 5.36 -0.91 -4.92 117.98 123.33 1hk6 s PHE 90 Ca -0.00 1.39 -0.25 0.00 -0.96 0.00 0.00 56.93 57.11 1hk6 s PHE 90 Cb -0.01 -2.85 -0.01 0.00 -0.34 0.00 0.00 43.02 39.81 1hk6 s PHE 90 CO -0.00 0.15 0.84 0.21 -1.46 0.00 0.00 175.22 174.96 1hk6 s LYS 91 N 0.50 4.26 0.05 10.12 2.20 -1.26 -4.43 119.74 131.18 1hk6 s LYS 91 Ca 0.40 1.01 -0.30 0.00 -0.36 0.00 0.00 55.97 56.72 1hk6 s LYS 91 Cb -0.19 -3.60 -0.05 0.00 -1.51 0.00 0.00 37.83 32.48 1hk6 s LYS 91 CO 0.21 -0.41 1.02 -0.51 -0.36 0.00 0.00 175.35 175.31 1hk6 s LEU 92 N 2.43 4.41 -0.10 5.43 2.01 -1.26 -3.76 118.68 127.84 1hk6 s LEU 92 Ca 0.37 1.79 -0.02 0.00 0.01 0.00 0.00 54.13 56.29 1hk6 s LEU 92 Cb -0.16 -3.58 -0.03 0.00 0.01 0.00 0.00 46.19 42.43 1hk6 s LEU 92 CO 0.10 -0.25 -0.02 -0.76 1.01 0.00 0.00 176.35 176.43 1hk6 s LEU 93 N 0.65 3.40 0.17 1.79 1.43 -1.21 -4.95 118.68 119.96 1hk6 s LEU 93 Ca 0.52 0.04 -0.32 0.00 -1.03 0.00 0.00 54.13 53.34 1hk6 s LEU 93 Cb -0.24 -1.78 -0.11 0.00 0.03 0.00 0.00 46.19 44.10 1hk6 s LEU 93 CO 0.29 0.32 1.70 -0.75 0.23 0.00 0.00 176.35 178.15 1hk6 s LYS 94 N -0.55 4.15 0.21 1.70 2.20 -1.26 -4.06 119.74 122.13 1hk6 s LYS 94 Ca 0.09 2.52 -0.32 0.00 -0.36 0.00 0.00 55.97 57.90 1hk6 s LYS 94 Cb -0.12 -3.25 -0.13 0.00 -1.51 0.00 0.00 37.83 32.83 1hk6 s LYS 94 CO 0.02 -0.74 1.61 -2.30 -0.36 0.00 0.00 175.35 173.58 1hk6 n PRO 95 N 4.48 2.44 -2.23 4.03 -0.02 -1.26 -4.88 135.00 137.55 1hk6 n PRO 95 Ca 0.16 0.88 -0.43 0.00 -2.02 0.00 0.00 63.50 62.09 1hk6 n PRO 95 Cb 0.37 -2.66 -0.02 0.00 -0.02 0.00 0.00 33.50 31.16 1hk6 n PRO 95 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1hk6 s GLU 96 N 0.59 3.83 0.00 -0.52 2.12 -1.26 -5.17 118.70 118.29 1hk6 s GLU 96 Ca 0.74 1.49 0.00 0.00 0.36 0.00 0.00 54.97 57.55 1hk6 s GLU 96 Cb -0.58 -3.98 0.00 0.00 0.26 0.00 0.00 34.13 29.83 1hk6 s GLU 96 CO 0.39 -1.24 0.00 0.36 -0.54 0.00 0.00 175.26 174.23