#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hk6 s MET 4 N 0.00 0.77 0.30 1.57 0.00 -1.26 -5.12 119.30 115.56 1hk6 s MET 4 Ca 0.00 1.08 0.00 0.00 0.00 0.00 0.00 55.69 56.77 1hk6 s MET 4 Cb 0.00 0.28 0.00 0.00 0.00 0.00 0.00 34.83 35.11 1hk6 s MET 4 CO 0.00 -0.12 0.00 0.54 0.00 0.00 0.00 175.02 175.44 1hk6 n ARG 5 N 3.40 -3.99 -1.94 3.16 5.12 -1.26 -4.37 116.66 116.77 1hk6 n ARG 5 Ca -0.17 2.89 -0.41 0.00 -1.93 0.00 0.00 57.85 58.23 1hk6 n ARG 5 Cb 0.57 -3.18 -0.02 0.00 -1.16 0.00 0.00 32.46 28.67 1hk6 n ARG 5 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1hk6 s GLN 6 N -2.68 4.22 0.34 5.56 1.11 -1.26 -4.69 119.66 122.27 1hk6 s GLN 6 Ca 0.00 2.40 -0.29 0.00 0.01 0.00 0.00 55.36 57.48 1hk6 s GLN 6 Cb 0.00 -3.06 -0.11 0.00 -1.01 0.00 0.00 33.01 28.83 1hk6 s GLN 6 CO 0.00 -0.45 1.54 -1.25 0.01 0.00 0.00 175.29 175.15 1hk6 s PRO 7 N -1.00 4.10 0.24 2.91 0.04 -1.26 -4.80 135.00 135.23 1hk6 s PRO 7 Ca 0.57 2.60 -0.31 0.00 0.04 0.00 0.00 61.00 63.89 1hk6 s PRO 7 Cb -0.44 -2.98 -0.13 0.00 0.04 0.00 0.00 34.50 30.99 1hk6 s PRO 7 CO 0.50 -0.59 1.47 -0.35 0.04 0.00 0.00 177.00 178.07 1hk6 n PRO 8 N 1.15 2.20 -4.11 0.56 -0.04 -1.26 -4.78 135.00 128.72 1hk6 n PRO 8 Ca 0.04 0.79 -0.33 0.00 -0.04 0.00 0.00 63.50 63.96 1hk6 n PRO 8 Cb 0.38 -2.49 -0.16 0.00 -0.04 0.00 0.00 33.50 31.20 1hk6 n PRO 8 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1hk6 s LEU 9 N 0.11 2.44 0.03 1.53 2.96 -0.90 -1.29 118.68 123.56 1hk6 s LEU 9 Ca 0.69 -0.82 -0.27 0.00 -0.22 0.00 0.00 54.13 53.51 1hk6 s LEU 9 Cb -0.62 -1.49 -0.05 0.00 0.50 0.00 0.00 46.19 44.53 1hk6 s LEU 9 CO 0.47 -0.04 0.83 -0.69 -1.32 0.00 0.00 176.35 175.60 1hk6 s VAL 10 N 1.25 4.77 -0.36 1.68 1.01 -1.08 -0.49 120.40 127.18 1hk6 s VAL 10 Ca 0.02 1.76 0.13 0.00 0.00 0.00 0.00 61.98 63.89 1hk6 s VAL 10 Cb -0.15 -4.18 0.42 0.00 0.00 0.00 0.00 36.38 32.48 1hk6 s VAL 10 CO -0.11 0.30 1.20 0.35 0.00 0.00 0.00 175.10 176.84 1hk6 n THR 11 N 3.18 0.44 -3.64 3.92 -2.24 0.01 -4.23 114.28 111.71 1hk6 n THR 11 Ca 0.00 -2.13 -0.03 0.00 -2.27 0.00 0.00 64.05 59.62 1hk6 n THR 11 Cb 0.50 0.89 -0.06 0.00 -2.10 0.00 0.00 70.33 69.57 1hk6 n THR 11 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1hk6 s GLY 12 N -2.06 0.17 -0.28 3.38 0.00 -0.83 -4.81 107.32 102.89 1hk6 s GLY 12 Ca 0.23 3.08 -0.17 0.00 0.00 0.00 0.00 44.72 47.87 1hk6 s GLY 12 CO -0.04 1.53 0.79 -1.50 0.00 0.00 0.00 173.10 173.88 1hk6 s ILE 13 N -0.47 0.00 0.04 0.90 2.07 -1.26 -2.76 121.20 119.72 1hk6 s ILE 13 Ca 0.07 0.00 -0.31 0.00 -1.41 0.00 0.00 60.65 59.00 1hk6 s ILE 13 Cb -0.03 -1.00 -0.18 0.00 0.13 0.00 0.00 42.46 41.38 1hk6 s ILE 13 CO -0.11 0.00 1.34 -1.28 -1.91 0.00 0.00 174.94 172.98 1hk6 h SER 14 N 6.46 -0.89 0.00 4.50 0.87 -1.95 -3.45 113.55 119.09 1hk6 h SER 14 Ca -0.29 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 1hk6 h SER 14 Cb 1.21 0.23 0.00 0.00 -0.44 0.00 0.00 62.40 63.40 1hk6 h SER 14 CO 0.16 -0.55 0.00 -2.65 -0.53 0.00 0.00 176.83 173.26 1hk6 n PRO 15 N -5.49 2.73 0.00 2.24 -0.02 -1.26 -5.04 135.00 128.16 1hk6 n PRO 15 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 1hk6 n PRO 15 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.90 1hk6 n PRO 15 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1hk6 n ASN 16 N 0.00 0.00 -3.64 2.55 2.85 -1.26 -5.10 115.26 110.66 1hk6 n ASN 16 Ca 0.00 0.00 -0.08 0.00 -0.11 0.00 0.00 54.58 54.39 1hk6 n ASN 16 Cb 0.00 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 40.95 1hk6 n ASN 16 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 1hk6 s GLU 17 N -0.09 0.62 0.00 1.20 -1.05 -1.26 -3.68 118.70 114.44 1hk6 s GLU 17 Ca 0.00 0.93 0.00 0.00 -0.15 0.00 0.00 54.97 55.75 1hk6 s GLU 17 Cb 0.00 0.20 0.00 0.00 -0.44 0.00 0.00 34.13 33.89 1hk6 s GLU 17 CO 0.00 -0.11 0.00 0.41 0.95 0.00 0.00 175.26 176.51 1hk6 n GLY 18 N 3.44 1.93 3.44 -3.83 0.00 -0.99 -4.96 105.19 104.22 1hk6 n GLY 18 Ca -0.17 -0.77 -0.36 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.52 1.45 -0.31 -0.61 -5.35 -1.23 -2.13 119.36 110.66 1hk6 n ILE 19 Ca 0.00 -0.37 0.11 0.00 -0.27 0.00 0.00 62.75 62.22 1hk6 n ILE 19 Cb 0.00 -0.69 0.29 0.00 -1.74 0.00 0.00 39.64 37.50 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 -0.55 0.55 0.00 6.28 0.11 -1.82 0.15 132.00 136.72 1hk6 h PRO 20 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1hk6 h PRO 20 Cb 1.34 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1hk6 h PRO 20 CO 0.41 0.36 0.00 0.91 -0.21 0.00 0.00 178.00 179.47 1hk6 n TRP 21 N -4.91 0.00 -2.03 0.65 7.02 -1.26 -3.39 117.44 113.51 1hk6 n TRP 21 Ca 0.21 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.27 1hk6 n TRP 21 Cb 0.57 -0.29 -0.03 0.00 -2.42 0.00 0.00 31.31 29.14 1hk6 n TRP 21 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 1hk6 s THR 22 N -2.59 2.82 0.28 -0.99 2.01 0.52 -4.86 115.64 112.83 1hk6 s THR 22 Ca 0.15 0.63 -0.29 0.00 0.31 0.00 0.00 61.69 62.48 1hk6 s THR 22 Cb 0.11 -3.40 -0.10 0.00 0.01 0.00 0.00 72.50 69.12 1hk6 s THR 22 CO 0.24 0.07 1.34 -0.75 -0.69 0.00 0.00 174.62 174.83 1hk6 s LYS 23 N 0.51 4.35 -0.04 4.92 2.20 -1.26 -3.53 119.74 126.88 1hk6 s LYS 23 Ca 0.64 2.19 -0.01 0.00 -0.36 0.00 0.00 55.97 58.43 1hk6 s LYS 23 Cb -0.41 -3.11 0.03 0.00 -1.51 0.00 0.00 37.83 32.83 1hk6 s LYS 23 CO 0.36 -0.26 0.07 0.14 -0.36 0.00 0.00 175.35 175.30 1hk6 s VAL 24 N -0.54 -0.08 -0.21 4.02 -7.23 -1.17 -4.81 120.40 110.38 1hk6 s VAL 24 Ca 0.53 0.26 -0.28 0.00 -1.81 0.00 0.00 61.98 60.69 1hk6 s VAL 24 Cb -0.39 -0.14 0.00 0.00 0.56 0.00 0.00 36.38 36.41 1hk6 s VAL 24 CO 0.47 0.11 1.00 -0.89 -0.31 0.00 0.00 175.10 175.47 1hk6 s THR 25 N 1.41 4.73 0.08 5.32 2.01 -1.26 -3.73 115.64 124.19 1hk6 s THR 25 Ca -0.05 1.95 -0.25 0.00 0.31 0.00 0.00 61.69 63.65 1hk6 s THR 25 Cb -0.12 -4.28 -0.06 0.00 0.01 0.00 0.00 72.50 68.05 1hk6 s THR 25 CO -0.04 -0.12 0.78 -0.63 -0.69 0.00 0.00 174.62 173.92 1hk6 s ILE 26 N 2.88 4.63 -0.09 1.82 1.01 -0.87 -3.74 121.20 126.83 1hk6 s ILE 26 Ca 0.43 1.67 -0.06 0.00 0.00 0.00 0.00 60.65 62.70 1hk6 s ILE 26 Cb -0.16 -4.13 0.03 0.00 0.01 0.00 0.00 42.46 38.21 1hk6 s ILE 26 CO 0.09 0.40 0.23 -0.13 0.00 0.00 0.00 174.94 175.52 1hk6 s ARG 27 N -0.31 0.22 0.00 2.79 0.52 -1.11 -2.52 118.95 118.54 1hk6 s ARG 27 Ca 0.38 0.42 0.00 0.00 -0.52 0.00 0.00 55.73 56.01 1hk6 s ARG 27 Cb -0.21 -0.01 0.00 0.00 0.52 0.00 0.00 34.95 35.24 1hk6 s ARG 27 CO 0.24 -0.10 0.00 0.41 0.02 0.00 0.00 175.30 175.87 1hk6 n GLY 28 N 3.66 1.97 3.05 -3.53 0.00 -1.26 -0.81 105.19 108.27 1hk6 n GLY 28 Ca -0.20 0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 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 4.26 0.21 -1.32 1.61 0.41 0.35 -4.80 118.70 119.41 1hk6 s GLU 29 Ca 0.00 0.45 -0.06 0.00 -0.41 0.00 0.00 54.97 54.95 1hk6 s GLU 29 Cb 0.00 -0.06 0.01 0.00 -1.78 0.00 0.00 34.13 32.31 1hk6 s GLU 29 CO 0.00 -0.13 1.09 0.09 -0.49 0.00 0.00 175.26 175.82 1hk6 n ASN 30 N 3.86 -4.67 -2.04 -0.19 3.02 -1.25 -2.11 115.26 111.87 1hk6 n ASN 30 Ca -0.22 -0.60 -0.14 0.00 -0.03 0.00 0.00 54.58 53.59 1hk6 n ASN 30 Cb 0.54 -4.92 -0.10 0.00 -0.61 0.00 0.00 39.78 34.69 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 -4.68 5.65 -1.01 3.41 4.32 -1.26 -4.22 117.00 119.21 1hk6 n LEU 31 Ca -0.09 -3.30 0.00 0.00 -0.02 0.00 0.00 56.01 52.60 1hk6 n LEU 31 Cb 0.60 -1.31 0.00 0.00 -1.62 0.00 0.00 43.42 41.09 1hk6 n LEU 31 CO 0.65 1.58 -0.21 0.61 -1.22 0.00 0.00 177.39 178.79 1hk6 n GLY 32 N 1.81 -4.26 2.17 -0.72 0.00 -1.26 -4.79 105.19 98.14 1hk6 n GLY 32 Ca 0.38 -0.63 -0.24 0.00 0.00 0.00 0.00 46.02 45.52 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 0.38 3.12 0.00 2.61 -2.24 -1.26 -4.20 114.28 112.68 1hk6 n THR 33 Ca 0.00 -2.35 0.00 0.00 -2.27 0.00 0.00 64.05 59.43 1hk6 n THR 33 Cb 0.00 -1.36 0.00 0.00 -2.10 0.00 0.00 70.33 66.87 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 0.18 2.04 0.30 3.38 0.00 -1.26 -4.98 105.19 104.85 1hk6 n GLY 34 Ca 0.42 -0.19 0.04 0.00 0.00 0.00 0.00 46.02 46.29 1hk6 n GLY 34 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hk6 h PRO 35 N 0.00 0.66 -0.67 1.61 0.13 -1.95 -0.85 132.00 130.93 1hk6 h PRO 35 Ca 0.00 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.08 1hk6 h PRO 35 Cb 0.00 -0.15 -0.03 0.00 0.13 0.00 0.00 31.00 30.95 1hk6 h PRO 35 CO 0.00 0.43 0.38 0.00 -0.23 0.00 0.00 178.00 178.59 1hk6 h THR 36 N 0.67 1.19 -0.92 1.56 1.03 -1.99 -2.27 112.91 112.18 1hk6 h THR 36 Ca 0.41 -0.46 0.10 0.00 -0.01 0.00 0.00 66.41 66.46 1hk6 h THR 36 Cb 0.48 0.28 -0.07 0.00 -1.07 0.00 0.00 68.15 67.77 1hk6 h THR 36 CO -0.30 0.21 0.59 0.44 -0.01 0.00 0.00 175.52 176.45 1hk6 h ASP 37 N 0.92 0.83 0.00 0.00 5.19 -1.53 -3.09 116.42 118.74 1hk6 h ASP 37 Ca 0.24 0.03 -0.55 0.00 -0.62 0.00 0.00 57.03 56.13 1hk6 h ASP 37 Cb -0.01 -0.14 0.02 0.00 0.18 0.00 0.00 39.33 39.39 1hk6 h ASP 37 CO -0.04 0.47 3.32 -0.11 -3.12 0.00 0.00 179.24 179.76 1hk6 n LEU 38 N -4.55 7.11 -0.14 1.55 7.94 -0.85 -1.64 117.00 126.42 1hk6 n LEU 38 Ca 0.16 -3.74 -0.12 0.00 -1.11 0.00 0.00 56.01 51.19 1hk6 n LEU 38 Cb 0.33 -1.37 -0.01 0.00 0.53 0.00 0.00 43.42 42.90 1hk6 n LEU 38 CO 0.30 1.43 0.60 0.16 -1.11 0.00 0.00 177.39 178.77 1hk6 h ILE 39 N 3.23 1.27 -4.38 1.96 3.07 -1.69 -3.44 117.51 117.52 1hk6 h ILE 39 Ca 0.71 -1.48 -0.69 0.00 1.55 0.00 0.00 64.86 64.94 1hk6 h ILE 39 Cb 0.25 1.27 -0.31 0.00 -0.27 0.00 0.00 36.82 37.76 1hk6 h ILE 39 CO 1.66 0.50 -0.89 -0.83 -1.05 0.00 0.00 178.15 177.54 1hk6 s GLY 40 N -3.79 1.28 -0.15 0.16 0.00 -1.26 -5.01 107.32 98.55 1hk6 s GLY 40 Ca -0.11 -1.09 -0.07 0.00 0.00 0.00 0.00 44.72 43.44 1hk6 s GLY 40 CO 0.88 -0.82 0.35 -2.27 0.00 0.00 0.00 173.10 171.24 1hk6 s LEU 41 N -0.44 -0.04 -0.16 0.66 1.98 -1.26 -0.65 118.68 118.77 1hk6 s LEU 41 Ca 0.05 0.77 -0.13 0.00 -2.89 0.00 0.00 54.13 51.93 1hk6 s LEU 41 Cb -0.11 1.12 0.05 0.00 0.66 0.00 0.00 46.19 47.90 1hk6 s LEU 41 CO 0.01 -0.20 0.41 0.42 -1.89 0.00 0.00 176.35 175.11 1hk6 s THR 42 N 1.61 -0.01 -0.40 3.68 -4.23 -1.14 -1.61 115.64 113.54 1hk6 s THR 42 Ca -0.07 0.03 -0.08 0.00 -1.18 0.00 0.00 61.69 60.38 1hk6 s THR 42 Cb -0.10 -0.59 0.07 0.00 1.34 0.00 0.00 72.50 73.22 1hk6 s THR 42 CO -0.11 0.01 0.22 -0.63 -0.54 0.00 0.00 174.62 173.57 1hk6 s ILE 43 N 0.61 4.08 -1.31 2.99 -1.09 0.98 -2.00 121.20 125.45 1hk6 s ILE 43 Ca -0.03 -1.38 -0.05 0.00 -2.23 0.00 0.00 60.65 56.96 1hk6 s ILE 43 Cb -0.05 -3.48 0.01 0.00 -1.58 0.00 0.00 42.46 37.37 1hk6 s ILE 43 CO -0.04 -0.45 1.02 0.00 -1.23 0.00 0.00 174.94 174.24 1hk6 n GLY 45 N -1.58 2.36 3.71 0.00 0.00 -1.26 -3.21 105.19 105.20 1hk6 n GLY 45 Ca -0.14 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.77 3.11 0.30 1.61 5.65 -0.96 -4.96 115.29 119.27 1hk6 s HIS 46 Ca 0.00 0.85 -0.29 0.00 0.25 0.00 0.00 55.06 55.87 1hk6 s HIS 46 Cb 0.00 -3.73 -0.09 0.00 -1.18 0.00 0.00 32.58 27.57 1hk6 s HIS 46 CO 0.00 -2.63 1.11 0.54 -0.65 0.00 0.00 174.74 173.11 1hk6 s ASN 47 N 1.30 7.14 -0.30 9.88 4.22 -1.26 -0.01 114.94 135.91 1hk6 s ASN 47 Ca 0.66 2.29 0.18 0.00 -2.14 0.00 0.00 52.86 53.84 1hk6 s ASN 47 Cb -0.37 -2.62 0.46 0.00 1.28 0.00 0.00 41.25 39.99 1hk6 s ASN 47 CO 0.30 -0.23 1.33 0.00 -2.04 0.00 0.00 177.10 176.46 1hk6 h LEU 49 N 1.79 0.06 -1.06 0.00 5.85 -1.90 -1.29 115.31 118.76 1hk6 h LEU 49 Ca -0.30 -0.64 0.13 0.00 0.84 0.00 0.00 57.88 57.91 1hk6 h LEU 49 Cb 1.28 -0.02 -0.09 0.00 0.37 0.00 0.00 40.66 42.21 1hk6 h LEU 49 CO -0.01 0.69 0.62 0.17 -0.34 0.00 0.00 178.44 179.58 1hk6 h LEU 50 N -0.57 0.86 0.21 2.25 -0.00 -1.93 -2.19 115.31 113.95 1hk6 h LEU 50 Ca -0.00 0.05 -0.32 0.00 -0.00 0.00 0.00 57.88 57.61 1hk6 h LEU 50 Cb 0.69 -0.12 0.03 0.00 -0.00 0.00 0.00 40.66 41.26 1hk6 h LEU 50 CO 0.01 0.44 -1.40 0.71 -0.00 0.00 0.00 178.44 178.19 1hk6 h THR 51 N 0.91 1.36 -2.81 0.15 1.35 -1.96 -3.45 112.91 108.46 1hk6 h THR 51 Ca 0.50 -2.83 -0.52 0.00 -0.55 0.00 0.00 66.41 63.00 1hk6 h THR 51 Cb 0.58 3.01 0.05 0.00 -1.73 0.00 0.00 68.15 70.06 1hk6 h THR 51 CO -0.27 0.84 0.93 0.00 -0.25 0.00 0.00 175.52 176.77 1hk6 s ALA 52 N -2.62 3.84 -0.07 6.62 0.00 -0.49 -4.68 121.76 124.36 1hk6 s ALA 52 Ca -0.07 1.47 0.03 0.00 0.00 0.00 0.00 51.96 53.38 1hk6 s ALA 52 Cb 0.05 -3.65 0.01 0.00 0.00 0.00 0.00 23.12 19.53 1hk6 s ALA 52 CO 0.92 -0.85 -0.15 -2.00 0.00 0.00 0.00 175.76 173.69 1hk6 s GLU 53 N 1.02 1.94 0.58 0.00 2.56 -0.55 -4.90 118.70 119.34 1hk6 s GLU 53 Ca 0.71 -0.52 -0.19 0.00 0.00 0.00 0.00 54.97 54.97 1hk6 s GLU 53 Cb -0.46 -1.58 -0.04 0.00 2.00 0.00 0.00 34.13 34.05 1hk6 s GLU 53 CO 0.33 0.09 1.20 -0.46 -0.56 0.00 0.00 175.26 175.85 1hk6 s TRP 54 N 0.51 2.44 0.00 5.30 -0.00 -1.26 -2.81 118.94 123.12 1hk6 s TRP 54 Ca -0.14 1.52 0.00 0.00 -0.00 0.00 0.00 56.10 57.48 1hk6 s TRP 54 Cb -0.15 -3.46 0.00 0.00 -0.00 0.00 0.00 33.47 29.85 1hk6 s TRP 54 CO 0.04 -2.12 0.00 -1.33 -0.00 0.00 0.00 176.95 173.54 1hk6 n MET 55 N -1.49 0.00 -3.79 5.86 2.81 -1.20 -4.86 117.12 114.46 1hk6 n MET 55 Ca 0.13 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 56.01 1hk6 n MET 55 Cb 0.50 -0.31 0.00 0.00 -0.71 0.00 0.00 33.22 32.70 1hk6 n MET 55 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1hk6 s SER 56 N -3.31 -0.07 0.00 7.83 0.15 -0.75 -4.97 113.70 112.59 1hk6 s SER 56 Ca 0.00 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.25 1hk6 s SER 56 Cb 0.00 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 1hk6 s SER 56 CO 0.00 -0.71 1.26 0.00 1.20 0.00 0.00 173.24 175.00 1hk6 n ALA 57 N -0.60 2.93 -1.24 5.45 0.00 -1.26 -2.93 120.51 122.85 1hk6 n ALA 57 Ca -0.05 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.39 1hk6 n ALA 57 Cb 0.61 -1.02 -0.00 0.00 0.00 0.00 0.00 19.45 19.03 1hk6 n ALA 57 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1hk6 n SER 58 N 0.87 -0.03 -3.64 0.00 3.41 -1.26 -3.93 113.62 109.04 1hk6 n SER 58 Ca 0.00 -0.09 -0.05 0.00 -0.26 0.00 0.00 58.87 58.47 1hk6 n SER 58 Cb 0.47 0.01 -0.07 0.00 -0.26 0.00 0.00 64.21 64.36 1hk6 n SER 58 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1hk6 s LYS 59 N 0.00 0.52 -0.16 4.33 2.20 -1.15 -4.23 119.74 121.25 1hk6 s LYS 59 Ca 0.00 0.86 -0.06 0.00 -0.36 0.00 0.00 55.97 56.41 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 -0.10 0.34 0.42 -0.36 0.00 0.00 175.35 175.65 1hk6 s ILE 60 N 1.31 -0.50 -0.10 5.43 1.01 -1.05 -1.80 121.20 125.49 1hk6 s ILE 60 Ca -0.08 0.22 -0.28 0.00 0.00 0.00 0.00 60.65 60.51 1hk6 s ILE 60 Cb -0.04 -0.55 -0.02 0.00 0.01 0.00 0.00 42.46 41.86 1hk6 s ILE 60 CO -0.15 0.09 0.92 -0.69 0.00 0.00 0.00 174.94 175.11 1hk6 s VAL 61 N 2.46 4.85 -0.19 2.92 1.01 -1.12 -2.06 120.40 128.26 1hk6 s VAL 61 Ca -0.01 1.88 -0.30 0.00 0.00 0.00 0.00 61.98 63.56 1hk6 s VAL 61 Cb -0.12 -4.24 0.14 0.00 0.00 0.00 0.00 36.38 32.16 1hk6 s VAL 61 CO -0.11 0.07 1.08 0.00 0.00 0.00 0.00 175.10 176.14 1hk6 s ARG 63 N -1.05 4.48 0.29 0.00 0.52 -1.26 -3.02 118.95 118.91 1hk6 s ARG 63 Ca 0.01 1.05 -0.30 0.00 -0.52 0.00 0.00 55.73 55.97 1hk6 s ARG 63 Cb -0.01 -3.42 -0.12 0.00 0.52 0.00 0.00 34.95 31.92 1hk6 s ARG 63 CO -0.01 0.11 1.43 1.55 0.02 0.00 0.00 175.30 178.41 1hk6 n VAL 64 N 3.50 1.31 0.00 3.52 3.14 -1.22 -4.97 118.33 123.61 1hk6 n VAL 64 Ca -0.00 -0.33 0.00 0.00 -2.96 0.00 0.00 64.34 61.05 1hk6 n VAL 64 Cb 0.51 -1.66 0.00 0.00 -1.06 0.00 0.00 33.84 31.62 1hk6 n VAL 64 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1hk6 n GLY 65 N 1.68 -1.32 3.12 7.55 0.00 -1.26 -4.40 105.19 110.55 1hk6 n GLY 65 Ca 0.08 -0.28 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 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 0.29 -0.85 1.61 -2.07 -1.24 -4.63 119.66 112.77 1hk6 s GLN 66 Ca 0.00 0.28 -0.24 0.00 -1.82 0.00 0.00 55.36 53.59 1hk6 s GLN 66 Cb 0.00 0.14 -0.16 0.00 -1.09 0.00 0.00 33.01 31.90 1hk6 s GLN 66 CO 0.00 -0.04 1.90 0.00 -1.32 0.00 0.00 175.29 175.83 1hk6 n ALA 67 N 2.86 2.34 0.00 2.60 0.00 -1.26 -4.41 120.51 122.64 1hk6 n ALA 67 Ca -0.13 -3.08 -0.12 0.00 0.00 0.00 0.00 53.44 50.10 1hk6 n ALA 67 Cb 0.58 -3.58 -0.08 0.00 0.00 0.00 0.00 19.45 16.38 1hk6 n ALA 67 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1hk6 h LYS 68 N 8.97 0.06 0.37 0.00 1.57 -1.84 -3.33 116.57 122.36 1hk6 h LYS 68 Ca 0.31 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.06 1hk6 h LYS 68 Cb 0.79 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1hk6 h LYS 68 CO 1.66 0.26 -0.18 -0.91 -0.57 0.00 0.00 179.45 179.71 1hk6 h ASN 69 N -0.15 -0.42 0.00 0.86 2.35 -1.84 -3.49 115.58 112.89 1hk6 h ASN 69 Ca 0.01 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1hk6 h ASN 69 Cb 0.22 0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.70 1hk6 h ASN 69 CO -0.00 -0.17 0.00 -0.67 -1.65 0.00 0.00 177.43 174.94 1hk6 n ASP 70 N -4.04 0.00 0.00 5.81 2.03 -1.25 -5.11 116.55 113.99 1hk6 n ASP 70 Ca -0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.25 1hk6 n ASP 70 Cb 0.19 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.59 1hk6 n ASP 70 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1hk6 n LYS 71 N 0.00 0.00 0.00 -0.67 4.81 -1.26 -4.87 118.16 116.17 1hk6 n LYS 71 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1hk6 n LYS 71 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1hk6 n LYS 71 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1hk6 n GLY 72 N 3.81 0.00 3.73 3.14 0.00 -1.26 -4.57 105.19 110.04 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 6.58 -0.90 1.61 1.01 -1.26 -3.26 116.67 120.46 1hk6 s ASP 73 Ca 0.00 2.68 -0.21 0.00 0.71 0.00 0.00 52.55 55.73 1hk6 s ASP 73 Cb 0.00 -2.61 0.09 0.00 1.01 0.00 0.00 42.92 41.41 1hk6 s ASP 73 CO 0.00 -0.79 1.21 -0.63 0.21 0.00 0.00 175.17 175.18 1hk6 s ILE 74 N 0.54 4.32 0.19 0.77 1.01 -1.26 -1.92 121.20 124.85 1hk6 s ILE 74 Ca 0.65 -0.96 -0.29 0.00 0.00 0.00 0.00 60.65 60.05 1hk6 s ILE 74 Cb -0.44 -4.86 -0.08 0.00 0.01 0.00 0.00 42.46 37.09 1hk6 s ILE 74 CO 0.38 -1.66 0.90 -0.63 0.00 0.00 0.00 174.94 173.93 1hk6 s ILE 75 N 3.89 4.25 -0.14 2.92 -1.09 -0.85 -4.52 121.20 125.66 1hk6 s ILE 75 Ca 0.35 1.99 -0.04 0.00 -2.23 0.00 0.00 60.65 60.72 1hk6 s ILE 75 Cb -0.06 -4.28 0.06 0.00 -1.58 0.00 0.00 42.46 36.60 1hk6 s ILE 75 CO -0.04 0.46 0.12 -0.69 -1.23 0.00 0.00 174.94 173.56 1hk6 s VAL 76 N -0.87 -0.17 0.20 2.92 1.01 -1.24 -2.89 120.40 119.37 1hk6 s VAL 76 Ca 0.41 0.04 -0.23 0.00 0.00 0.00 0.00 61.98 62.20 1hk6 s VAL 76 Cb -0.25 -0.47 -0.08 0.00 0.00 0.00 0.00 36.38 35.58 1hk6 s VAL 76 CO 0.30 -0.11 0.77 -0.89 0.00 0.00 0.00 175.10 175.17 1hk6 s THR 77 N 2.21 4.44 -0.01 3.92 2.01 0.18 0.03 115.64 128.41 1hk6 s THR 77 Ca 0.04 1.54 0.01 0.00 0.31 0.00 0.00 61.69 63.58 1hk6 s THR 77 Cb -0.15 -4.01 0.01 0.00 0.01 0.00 0.00 72.50 68.37 1hk6 s THR 77 CO -0.08 0.36 -0.02 0.42 -0.69 0.00 0.00 174.62 174.62 1hk6 s THR 78 N -1.34 0.21 0.15 -0.82 -4.23 -0.79 -4.08 115.64 104.74 1hk6 s THR 78 Ca 0.40 -0.03 -0.17 0.00 -1.18 0.00 0.00 61.69 60.71 1hk6 s THR 78 Cb -0.20 -0.23 0.00 0.00 1.34 0.00 0.00 72.50 73.41 1hk6 s THR 78 CO 0.24 0.10 1.79 0.11 -0.54 0.00 0.00 174.62 176.32 1hk6 h LYS 79 N 6.59 0.42 0.22 3.99 1.57 -1.63 -2.98 116.57 124.75 1hk6 h LYS 79 Ca -0.34 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.41 1hk6 h LYS 79 Cb 1.17 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.39 1hk6 h LYS 79 CO 0.49 0.28 -0.11 0.66 -0.57 0.00 0.00 179.45 180.20 1hk6 h SER 80 N 0.43 -0.26 0.00 0.86 4.64 -1.94 -3.44 113.55 113.84 1hk6 h SER 80 Ca 0.14 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1hk6 h SER 80 Cb -0.01 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1hk6 h SER 80 CO -0.06 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.52 1hk6 n GLY 81 N -0.61 0.65 0.00 -0.77 0.00 -1.14 -4.55 105.19 98.76 1hk6 n GLY 81 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 5.00 3.60 3.70 -0.02 0.00 -1.14 -4.77 105.19 111.55 1hk6 n GLY 82 Ca 0.00 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 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 4.77 4.25 0.03 1.61 2.36 -1.26 -1.88 119.74 129.63 1hk6 s LYS 83 Ca 0.00 2.17 -0.30 0.00 -2.55 0.00 0.00 55.97 55.29 1hk6 s LYS 83 Cb 0.00 -3.43 -0.04 0.00 -1.05 0.00 0.00 37.83 33.31 1hk6 s LYS 83 CO 0.00 -0.60 1.05 0.20 1.55 0.00 0.00 175.35 177.55 1hk6 s GLY 84 N 1.74 2.77 -0.00 5.54 0.00 0.10 -4.51 107.32 112.96 1hk6 s GLY 84 Ca 0.68 0.64 0.02 0.00 0.00 0.00 0.00 44.72 46.06 1hk6 s GLY 84 CO 0.30 1.77 -0.01 -0.51 0.00 0.00 0.00 173.10 174.65 1hk6 s THR 85 N 0.89 4.11 -0.17 0.90 -4.23 -0.41 -3.66 115.64 113.07 1hk6 s THR 85 Ca 0.53 -0.62 -0.10 0.00 -1.18 0.00 0.00 61.69 60.33 1hk6 s THR 85 Cb -0.24 -2.83 0.06 0.00 1.34 0.00 0.00 72.50 70.83 1hk6 s THR 85 CO 0.29 0.38 0.40 -0.55 -0.54 0.00 0.00 174.62 174.60 1hk6 s SER 86 N -1.54 -0.50 0.21 3.99 0.15 -1.26 -2.63 113.70 112.11 1hk6 s SER 86 Ca 0.19 0.87 0.11 0.00 0.70 0.00 0.00 55.95 57.82 1hk6 s SER 86 Cb -0.11 0.76 0.02 0.00 -1.71 0.00 0.00 66.02 64.98 1hk6 s SER 86 CO 0.10 -0.19 1.41 0.71 1.20 0.00 0.00 173.24 176.47 1hk6 h THR 87 N 5.44 1.39 -3.93 6.45 1.35 -1.97 -3.43 112.91 118.21 1hk6 h THR 87 Ca -0.36 -2.76 -0.48 0.00 -0.55 0.00 0.00 66.41 62.26 1hk6 h THR 87 Cb 1.18 2.56 0.00 0.00 -1.73 0.00 0.00 68.15 70.16 1hk6 h THR 87 CO 0.29 0.75 0.24 0.68 -0.25 0.00 0.00 175.52 177.23 1hk6 s VAL 88 N -2.99 4.64 -0.12 6.82 -7.23 -1.26 -5.03 120.40 115.23 1hk6 s VAL 88 Ca 0.01 0.97 -0.11 0.00 -1.81 0.00 0.00 61.98 61.04 1hk6 s VAL 88 Cb 0.10 -3.70 0.03 0.00 0.56 0.00 0.00 36.38 33.37 1hk6 s VAL 88 CO 0.78 -0.54 0.32 -0.94 -0.31 0.00 0.00 175.10 174.42 1hk6 s SER 89 N -2.95 -0.34 -0.02 4.85 1.04 -1.26 -4.03 113.70 110.98 1hk6 s SER 89 Ca 0.55 0.66 -0.25 0.00 0.48 0.00 0.00 55.95 57.40 1hk6 s SER 89 Cb -0.10 0.65 -0.04 0.00 0.10 0.00 0.00 66.02 66.63 1hk6 s SER 89 CO 0.28 -0.12 0.75 0.12 0.98 0.00 0.00 173.24 175.26 1hk6 s PHE 90 N 0.33 3.64 -0.24 5.02 5.36 -1.20 -4.94 117.98 125.94 1hk6 s PHE 90 Ca -0.01 1.38 -0.29 0.00 -0.96 0.00 0.00 56.93 57.04 1hk6 s PHE 90 Cb -0.03 -2.85 0.01 0.00 -0.34 0.00 0.00 43.02 39.81 1hk6 s PHE 90 CO -0.01 0.14 1.08 0.21 -1.46 0.00 0.00 175.22 175.18 1hk6 s LYS 91 N 0.53 4.21 -0.47 10.12 2.36 -1.24 -4.70 119.74 130.55 1hk6 s LYS 91 Ca 0.40 1.33 -0.26 0.00 -2.55 0.00 0.00 55.97 54.89 1hk6 s LYS 91 Cb -0.19 -3.68 0.03 0.00 -1.05 0.00 0.00 37.83 32.94 1hk6 s LYS 91 CO 0.21 -0.71 0.95 -0.51 1.55 0.00 0.00 175.35 176.84 1hk6 s LEU 92 N 3.36 3.97 0.07 5.43 2.01 -1.26 -2.36 118.68 129.90 1hk6 s LEU 92 Ca 0.46 0.12 -0.24 0.00 0.01 0.00 0.00 54.13 54.48 1hk6 s LEU 92 Cb -0.15 -3.20 -0.06 0.00 0.01 0.00 0.00 46.19 42.78 1hk6 s LEU 92 CO 0.09 -1.09 0.71 -0.76 1.01 0.00 0.00 176.35 176.32 1hk6 s LEU 93 N 3.86 4.49 0.29 1.79 1.43 -0.90 -4.92 118.68 124.72 1hk6 s LEU 93 Ca 0.38 1.43 -0.29 0.00 -1.03 0.00 0.00 54.13 54.61 1hk6 s LEU 93 Cb -0.10 -3.15 -0.10 0.00 0.03 0.00 0.00 46.19 42.87 1hk6 s LEU 93 CO 0.26 0.11 1.40 -0.54 0.23 0.00 0.00 176.35 177.81 1hk6 s LYS 94 N -0.49 4.28 0.16 1.70 -0.14 -1.26 -3.49 119.74 120.51 1hk6 s LYS 94 Ca 0.35 2.29 -0.30 0.00 -1.36 0.00 0.00 55.97 56.95 1hk6 s LYS 94 Cb -0.21 -3.09 -0.08 0.00 -1.68 0.00 0.00 37.83 32.78 1hk6 s LYS 94 CO 0.22 -0.35 1.33 -1.25 -0.76 0.00 0.00 175.35 174.54 1hk6 s PRO 95 N -1.00 4.37 -1.16 -1.68 0.04 -1.26 -4.90 135.00 129.42 1hk6 s PRO 95 Ca 0.55 2.04 -0.21 0.00 0.04 0.00 0.00 61.00 63.43 1hk6 s PRO 95 Cb -0.41 -3.22 -0.05 0.00 0.04 0.00 0.00 34.50 30.85 1hk6 s PRO 95 CO 0.48 -0.31 1.91 0.39 0.04 0.00 0.00 177.00 179.51 1hk6 n GLU 96 N 3.11 2.07 0.00 4.56 1.02 -1.26 -5.20 120.64 124.94 1hk6 n GLU 96 Ca 0.08 -2.56 0.00 0.00 -0.02 0.00 0.00 57.16 54.65 1hk6 n GLU 96 Cb 0.43 -3.49 0.00 0.00 -0.02 0.00 0.00 31.44 28.36 1hk6 n GLU 96 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48