#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 2.56 -2.52 -0.41 -0.00 -1.26 -4.94 117.12 110.55 1hk6 n MET 4 Ca 0.00 0.92 -0.41 0.00 -0.00 0.00 0.00 57.70 58.21 1hk6 n MET 4 Cb 0.00 -2.73 -0.04 0.00 -0.00 0.00 0.00 33.22 30.45 1hk6 n MET 4 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 1hk6 s ARG 5 N 0.80 4.60 0.14 3.17 1.81 -1.26 -5.00 118.95 123.21 1hk6 s ARG 5 Ca 0.74 1.71 -0.30 0.00 -1.72 0.00 0.00 55.73 56.16 1hk6 s ARG 5 Cb -0.56 -3.28 -0.07 0.00 -0.45 0.00 0.00 34.95 30.59 1hk6 s ARG 5 CO 0.37 0.08 1.23 -0.65 -0.68 0.00 0.00 175.30 175.65 1hk6 s GLN 6 N -0.37 4.45 0.34 3.54 1.11 -1.26 -4.86 119.66 122.60 1hk6 s GLN 6 Ca 0.49 1.88 -0.27 0.00 0.01 0.00 0.00 55.36 57.47 1hk6 s GLN 6 Cb -0.29 -3.27 -0.09 0.00 -1.01 0.00 0.00 33.01 28.35 1hk6 s GLN 6 CO 0.35 -0.19 1.16 -1.25 0.01 0.00 0.00 175.29 175.37 1hk6 s PRO 7 N 0.29 4.36 0.45 2.91 0.04 -1.26 -4.87 135.00 136.92 1hk6 s PRO 7 Ca 0.56 1.87 -0.25 0.00 0.04 0.00 0.00 61.00 63.23 1hk6 s PRO 7 Cb -0.33 -2.95 -0.09 0.00 0.04 0.00 0.00 34.50 31.18 1hk6 s PRO 7 CO 0.34 -0.06 1.29 -0.35 0.04 0.00 0.00 177.00 178.26 1hk6 n PRO 8 N 0.66 1.90 -3.97 0.56 -0.04 -1.26 -4.87 135.00 127.98 1hk6 n PRO 8 Ca 0.01 0.68 -0.24 0.00 -0.04 0.00 0.00 63.50 63.91 1hk6 n PRO 8 Cb 0.45 -2.44 -0.17 0.00 -0.04 0.00 0.00 33.50 31.30 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 -2.10 1.06 0.13 1.53 1.98 -0.91 -2.28 118.68 118.09 1hk6 s LEU 9 Ca 0.63 -0.20 -0.27 0.00 -2.89 0.00 0.00 54.13 51.40 1hk6 s LEU 9 Cb -0.48 -0.65 -0.07 0.00 0.66 0.00 0.00 46.19 45.65 1hk6 s LEU 9 CO 0.56 -0.12 0.83 -0.69 -1.89 0.00 0.00 176.35 175.04 1hk6 s VAL 10 N 1.57 4.45 -0.33 1.68 1.01 -1.20 -0.67 120.40 126.91 1hk6 s VAL 10 Ca 0.01 1.80 0.16 0.00 0.00 0.00 0.00 61.98 63.94 1hk6 s VAL 10 Cb -0.13 -4.19 0.44 0.00 0.00 0.00 0.00 36.38 32.51 1hk6 s VAL 10 CO -0.05 0.44 1.21 0.35 0.00 0.00 0.00 175.10 177.06 1hk6 n THR 11 N 2.10 0.62 -3.65 3.92 -2.24 0.11 -3.40 114.28 111.74 1hk6 n THR 11 Ca -0.03 -2.23 -0.01 0.00 -2.27 0.00 0.00 64.05 59.51 1hk6 n THR 11 Cb 0.49 0.97 -0.05 0.00 -2.10 0.00 0.00 70.33 69.64 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 -2.42 0.24 -0.29 3.38 0.00 -0.30 -4.76 107.32 103.17 1hk6 s GLY 12 Ca 0.22 3.19 -0.15 0.00 0.00 0.00 0.00 44.72 47.98 1hk6 s GLY 12 CO -0.05 1.43 0.79 -1.50 0.00 0.00 0.00 173.10 173.78 1hk6 s ILE 13 N -0.63 -0.14 -0.01 0.90 2.07 -1.26 -2.51 121.20 119.63 1hk6 s ILE 13 Ca 0.09 0.00 -0.22 0.00 -1.41 0.00 0.00 60.65 59.11 1hk6 s ILE 13 Cb -0.02 -1.00 -0.12 0.00 0.13 0.00 0.00 42.46 41.45 1hk6 s ILE 13 CO -0.12 0.00 0.90 0.28 -1.91 0.00 0.00 174.94 174.09 1hk6 h SER 14 N 6.84 -0.66 -3.35 4.50 0.02 -1.94 -3.41 113.55 115.55 1hk6 h SER 14 Ca -0.27 0.02 -0.69 0.00 -0.84 0.00 0.00 61.79 60.01 1hk6 h SER 14 Cb 1.20 0.17 -0.18 0.00 0.14 0.00 0.00 62.40 63.72 1hk6 h SER 14 CO 0.16 -0.26 -0.04 -2.16 -1.14 0.00 0.00 176.83 173.38 1hk6 s PRO 15 N -4.10 3.11 -0.28 3.45 0.04 -1.26 -4.92 135.00 131.05 1hk6 s PRO 15 Ca -0.11 -0.88 0.01 0.00 0.04 0.00 0.00 61.00 60.06 1hk6 s PRO 15 Cb 0.01 -4.06 0.34 0.00 0.04 0.00 0.00 34.50 30.83 1hk6 s PRO 15 CO 0.34 -1.10 1.63 0.27 0.04 0.00 0.00 177.00 178.18 1hk6 n ASN 16 N 5.94 4.17 0.00 6.66 6.94 -1.26 -4.77 115.26 132.93 1hk6 n ASN 16 Ca -0.07 -2.96 0.00 0.00 -0.02 0.00 0.00 54.58 51.53 1hk6 n ASN 16 Cb 0.46 -0.77 0.00 0.00 -2.36 0.00 0.00 39.78 37.11 1hk6 n ASN 16 CO 0.00 0.00 0.00 -1.84 -1.03 0.00 0.00 177.26 174.39 1hk6 n GLU 17 N -0.28 0.00 0.00 -3.83 0.28 -1.26 -4.57 120.64 110.98 1hk6 n GLU 17 Ca 0.34 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.34 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 2.41 3.47 -1.84 0.00 -1.24 -5.04 105.19 102.95 1hk6 n GLY 18 Ca 0.00 -0.41 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.55 0.00 -0.34 -0.61 -5.35 -1.26 -2.94 119.36 108.32 1hk6 n ILE 19 Ca 0.00 -0.15 0.18 0.00 -0.27 0.00 0.00 62.75 62.51 1hk6 n ILE 19 Cb 0.00 -0.70 0.42 0.00 -1.74 0.00 0.00 39.64 37.62 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 -1.64 0.53 0.00 6.28 0.11 -1.77 0.22 132.00 135.73 1hk6 h PRO 20 Ca -0.43 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1hk6 h PRO 20 Cb 1.28 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1hk6 h PRO 20 CO 0.36 0.35 0.00 0.91 -0.21 0.00 0.00 178.00 179.41 1hk6 n TRP 21 N -4.77 0.84 -1.88 0.65 7.02 -1.26 -1.97 117.44 116.07 1hk6 n TRP 21 Ca 0.26 0.28 -0.42 0.00 -1.02 0.00 0.00 57.50 56.59 1hk6 n TRP 21 Cb 0.76 -0.95 -0.03 0.00 -2.42 0.00 0.00 31.31 28.67 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 -3.18 2.68 0.16 -0.99 2.01 0.78 -4.67 115.64 112.42 1hk6 s THR 22 Ca 0.08 0.37 -0.30 0.00 0.31 0.00 0.00 61.69 62.15 1hk6 s THR 22 Cb 0.11 -3.24 -0.07 0.00 0.01 0.00 0.00 72.50 69.31 1hk6 s THR 22 CO 0.51 0.02 1.13 -0.54 -0.69 0.00 0.00 174.62 175.04 1hk6 s LYS 23 N 1.80 4.55 -0.10 4.92 1.02 -1.26 -2.94 119.74 127.73 1hk6 s LYS 23 Ca 0.73 1.74 0.03 0.00 0.02 0.00 0.00 55.97 58.49 1hk6 s LYS 23 Cb -0.43 -3.29 0.01 0.00 -0.52 0.00 0.00 37.83 33.60 1hk6 s LYS 23 CO 0.32 -0.01 -0.19 0.14 -0.92 0.00 0.00 175.35 174.70 1hk6 s VAL 24 N 0.02 1.70 -0.22 3.17 -7.23 -0.72 -4.86 120.40 112.26 1hk6 s VAL 24 Ca 0.51 -0.79 -0.29 0.00 -1.81 0.00 0.00 61.98 59.60 1hk6 s VAL 24 Cb -0.30 -1.50 -0.01 0.00 0.56 0.00 0.00 36.38 35.13 1hk6 s VAL 24 CO 0.34 0.48 1.38 -0.89 -0.31 0.00 0.00 175.10 176.10 1hk6 s THR 25 N 0.61 4.05 0.04 5.32 2.01 -1.26 -3.64 115.64 122.77 1hk6 s THR 25 Ca -0.14 1.22 -0.22 0.00 0.31 0.00 0.00 61.69 62.86 1hk6 s THR 25 Cb -0.17 -3.96 -0.06 0.00 0.01 0.00 0.00 72.50 68.33 1hk6 s THR 25 CO 0.04 -0.29 0.67 -0.63 -0.69 0.00 0.00 174.62 173.72 1hk6 s ILE 26 N 4.23 4.76 -0.10 1.82 1.01 -0.91 -3.48 121.20 128.53 1hk6 s ILE 26 Ca 0.60 1.42 -0.07 0.00 0.00 0.00 0.00 60.65 62.61 1hk6 s ILE 26 Cb -0.21 -4.01 0.03 0.00 0.01 0.00 0.00 42.46 38.28 1hk6 s ILE 26 CO 0.22 0.43 0.24 -0.13 0.00 0.00 0.00 174.94 175.70 1hk6 s ARG 27 N -0.38 0.24 0.00 2.79 1.81 -1.04 -2.25 118.95 120.11 1hk6 s ARG 27 Ca 0.34 0.43 0.00 0.00 -1.72 0.00 0.00 55.73 54.77 1hk6 s ARG 27 Cb -0.20 0.00 0.00 0.00 -0.45 0.00 0.00 34.95 34.31 1hk6 s ARG 27 CO 0.20 -0.10 0.00 0.41 -0.68 0.00 0.00 175.30 175.14 1hk6 n GLY 28 N 3.60 1.74 3.07 -3.53 0.00 -1.23 -0.71 105.19 108.12 1hk6 n GLY 28 Ca -0.19 0.17 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 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 4.10 0.22 -1.25 1.61 2.02 0.16 -4.79 118.70 120.77 1hk6 s GLU 29 Ca 0.00 0.48 -0.07 0.00 0.02 0.00 0.00 54.97 55.40 1hk6 s GLU 29 Cb 0.00 -0.06 0.01 0.00 0.10 0.00 0.00 34.13 34.18 1hk6 s GLU 29 CO 0.00 -0.13 1.08 0.09 0.02 0.00 0.00 175.26 176.32 1hk6 n ASN 30 N 3.92 -5.41 -2.50 -0.19 3.02 -1.21 -2.13 115.26 110.76 1hk6 n ASN 30 Ca -0.22 -0.52 -0.23 0.00 -0.03 0.00 0.00 54.58 53.58 1hk6 n ASN 30 Cb 0.54 -4.77 -0.11 0.00 -0.61 0.00 0.00 39.78 34.84 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 -4.59 6.52 -0.00 3.41 4.32 -1.18 -4.18 117.00 121.30 1hk6 n LEU 31 Ca -0.04 -3.71 0.00 0.00 -0.02 0.00 0.00 56.01 52.24 1hk6 n LEU 31 Cb 0.57 -1.43 0.00 0.00 -1.62 0.00 0.00 43.42 40.94 1hk6 n LEU 31 CO 0.60 1.83 -0.00 0.61 -1.22 0.00 0.00 177.39 179.21 1hk6 n GLY 32 N 2.56 -3.17 0.28 -0.72 0.00 -1.26 -4.50 105.19 98.37 1hk6 n GLY 32 Ca 0.55 -1.06 -0.06 0.00 0.00 0.00 0.00 46.02 45.45 1hk6 n GLY 32 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1hk6 h THR 33 N 0.00 1.26 -2.66 2.61 1.35 -1.92 -3.37 112.91 110.18 1hk6 h THR 33 Ca 0.00 -1.17 -0.07 0.00 -0.55 0.00 0.00 66.41 64.62 1hk6 h THR 33 Cb 0.00 1.03 -0.01 0.00 -1.73 0.00 0.00 68.15 67.43 1hk6 h THR 33 CO 0.00 0.40 0.04 0.61 -0.25 0.00 0.00 175.52 176.32 1hk6 n GLY 34 N -0.43 2.06 0.22 5.82 0.00 -1.26 -4.67 105.19 106.92 1hk6 n GLY 34 Ca 0.01 -1.29 -0.09 0.00 0.00 0.00 0.00 46.02 44.66 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 0.72 -0.96 1.61 0.13 -1.94 -2.56 132.00 129.00 1hk6 h PRO 35 Ca -0.14 -0.15 0.08 0.00 -0.87 0.00 0.00 66.00 64.93 1hk6 h PRO 35 Cb 0.55 -0.11 -0.07 0.00 0.13 0.00 0.00 31.00 31.50 1hk6 h PRO 35 CO 0.18 0.67 0.60 1.79 -0.23 0.00 0.00 178.00 181.02 1hk6 h THR 36 N 0.62 1.02 -0.42 1.56 1.35 -2.01 -1.13 112.91 113.90 1hk6 h THR 36 Ca 0.15 -0.36 -0.09 0.00 -0.55 0.00 0.00 66.41 65.56 1hk6 h THR 36 Cb 0.24 -0.12 -0.02 0.00 -1.73 0.00 0.00 68.15 66.52 1hk6 h THR 36 CO -0.01 0.19 -0.10 -0.78 -0.25 0.00 0.00 175.52 174.57 1hk6 h ASP 37 N 1.05 0.73 0.00 5.36 3.58 -1.92 -3.31 116.42 121.91 1hk6 h ASP 37 Ca 0.43 -0.21 -0.55 0.00 0.42 0.00 0.00 57.03 57.12 1hk6 h ASP 37 Cb 0.27 -0.20 0.02 0.00 1.72 0.00 0.00 39.33 41.14 1hk6 h ASP 37 CO -0.20 0.86 2.96 -0.11 -2.88 0.00 0.00 179.24 179.87 1hk6 n LEU 38 N -4.17 6.07 0.01 2.28 7.94 -0.43 -2.29 117.00 126.42 1hk6 n LEU 38 Ca 0.01 -3.45 -0.13 0.00 -1.11 0.00 0.00 56.01 51.34 1hk6 n LEU 38 Cb 0.36 -1.30 -0.01 0.00 0.53 0.00 0.00 43.42 43.00 1hk6 n LEU 38 CO 0.43 0.90 0.35 0.16 -1.11 0.00 0.00 177.39 178.11 1hk6 h ILE 39 N 3.58 1.33 -3.88 1.96 3.07 -1.73 -3.45 117.51 118.39 1hk6 h ILE 39 Ca 0.59 -2.01 -0.69 0.00 1.55 0.00 0.00 64.86 64.31 1hk6 h ILE 39 Cb 0.34 1.99 -0.21 0.00 -0.27 0.00 0.00 36.82 38.67 1hk6 h ILE 39 CO 1.69 0.62 -0.76 -0.83 -1.05 0.00 0.00 178.15 177.82 1hk6 s GLY 40 N -4.20 1.61 -0.14 0.16 0.00 -1.26 -5.02 107.32 98.48 1hk6 s GLY 40 Ca -0.08 -1.03 -0.10 0.00 0.00 0.00 0.00 44.72 43.51 1hk6 s GLY 40 CO 0.87 -0.86 0.35 -2.27 0.00 0.00 0.00 173.10 171.18 1hk6 s LEU 41 N -1.08 0.37 -0.00 0.66 1.98 -1.26 -2.02 118.68 117.33 1hk6 s LEU 41 Ca 0.14 0.73 -0.16 0.00 -2.89 0.00 0.00 54.13 51.95 1hk6 s LEU 41 Cb -0.11 1.15 0.03 0.00 0.66 0.00 0.00 46.19 47.92 1hk6 s LEU 41 CO 0.03 -0.15 0.33 0.42 -1.89 0.00 0.00 176.35 175.09 1hk6 s THR 42 N 0.80 0.06 -0.10 3.68 -4.23 -1.19 -1.81 115.64 112.86 1hk6 s THR 42 Ca -0.05 -0.49 -0.02 0.00 -1.18 0.00 0.00 61.69 59.95 1hk6 s THR 42 Cb -0.06 -0.71 0.04 0.00 1.34 0.00 0.00 72.50 73.10 1hk6 s THR 42 CO -0.06 -0.27 0.02 -0.63 -0.54 0.00 0.00 174.62 173.14 1hk6 s ILE 43 N -1.61 0.32 0.00 2.99 1.01 -0.97 -3.21 121.20 119.73 1hk6 s ILE 43 Ca -0.11 0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.55 1hk6 s ILE 43 Cb -0.04 -0.58 0.00 0.00 0.01 0.00 0.00 42.46 41.85 1hk6 s ILE 43 CO 0.03 0.13 0.00 0.00 0.00 0.00 0.00 174.94 175.10 1hk6 n GLY 45 N 0.00 1.21 3.76 0.00 0.00 -1.26 -4.35 105.19 104.55 1hk6 n GLY 45 Ca 0.00 -0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 1hk6 n GLY 45 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1hk6 s HIS 46 N 0.00 3.94 0.50 1.61 0.00 -1.19 -4.98 115.29 115.17 1hk6 s HIS 46 Ca 0.00 1.88 -0.23 0.00 -3.00 0.00 0.00 55.06 53.71 1hk6 s HIS 46 Cb 0.00 -2.96 -0.07 0.00 -4.00 0.00 0.00 32.58 25.56 1hk6 s HIS 46 CO 0.00 0.42 1.40 -1.71 -1.00 0.00 0.00 174.74 173.85 1hk6 n ASN 47 N 1.35 3.00 -2.50 7.38 5.15 -1.26 -2.29 115.26 126.09 1hk6 n ASN 47 Ca -0.02 1.04 -0.01 0.00 -0.60 0.00 0.00 54.58 55.00 1hk6 n ASN 47 Cb 0.48 -1.59 0.07 0.00 -0.53 0.00 0.00 39.78 38.20 1hk6 n ASN 47 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1hk6 h LEU 49 N 1.58 0.22 -0.82 0.00 5.85 -1.91 -1.98 115.31 118.27 1hk6 h LEU 49 Ca -0.31 -0.68 0.19 0.00 0.84 0.00 0.00 57.88 57.92 1hk6 h LEU 49 Cb 1.35 -0.07 -0.12 0.00 0.37 0.00 0.00 40.66 42.19 1hk6 h LEU 49 CO -0.02 0.87 0.27 0.17 -0.34 0.00 0.00 178.44 179.38 1hk6 h LEU 50 N -0.41 0.13 0.20 2.25 -0.00 -1.94 -1.39 115.31 114.16 1hk6 h LEU 50 Ca -0.02 0.15 -0.31 0.00 -0.00 0.00 0.00 57.88 57.71 1hk6 h LEU 50 Cb 0.87 0.18 0.02 0.00 -0.00 0.00 0.00 40.66 41.73 1hk6 h LEU 50 CO 0.04 -0.03 -1.39 0.71 -0.00 0.00 0.00 178.44 177.77 1hk6 h THR 51 N 0.32 1.37 -3.58 0.15 1.35 -1.97 -3.46 112.91 107.09 1hk6 h THR 51 Ca 0.48 -2.85 -0.53 0.00 -0.55 0.00 0.00 66.41 62.96 1hk6 h THR 51 Cb 0.88 3.00 0.09 0.00 -1.73 0.00 0.00 68.15 70.39 1hk6 h THR 51 CO -0.53 0.85 0.85 0.00 -0.25 0.00 0.00 175.52 176.43 1hk6 s ALA 52 N -2.62 3.68 -0.07 6.62 0.00 -0.52 -4.75 121.76 124.09 1hk6 s ALA 52 Ca -0.07 1.59 0.03 0.00 0.00 0.00 0.00 51.96 53.51 1hk6 s ALA 52 Cb 0.05 -3.64 0.01 0.00 0.00 0.00 0.00 23.12 19.54 1hk6 s ALA 52 CO 0.92 -1.03 -0.15 -2.00 0.00 0.00 0.00 175.76 173.50 1hk6 s GLU 53 N -1.17 1.96 0.60 0.00 2.56 -0.26 -4.89 118.70 117.50 1hk6 s GLU 53 Ca 0.59 -0.53 -0.18 0.00 0.00 0.00 0.00 54.97 54.85 1hk6 s GLU 53 Cb -0.48 -1.59 -0.03 0.00 2.00 0.00 0.00 34.13 34.03 1hk6 s GLU 53 CO 0.55 0.08 1.18 -0.46 -0.56 0.00 0.00 175.26 176.05 1hk6 s TRP 54 N 0.52 2.45 0.00 5.30 -0.00 -1.26 -2.90 118.94 123.04 1hk6 s TRP 54 Ca -0.14 1.53 0.00 0.00 -0.00 0.00 0.00 56.10 57.49 1hk6 s TRP 54 Cb -0.16 -3.41 0.00 0.00 -0.00 0.00 0.00 33.47 29.91 1hk6 s TRP 54 CO 0.05 -2.05 0.00 -1.33 -0.00 0.00 0.00 176.95 173.62 1hk6 n MET 55 N -1.69 0.00 -2.63 5.86 2.81 -1.18 -4.90 117.12 115.40 1hk6 n MET 55 Ca 0.13 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 56.00 1hk6 n MET 55 Cb 0.50 -0.12 0.01 0.00 -0.71 0.00 0.00 33.22 32.91 1hk6 n MET 55 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1hk6 n SER 56 N -2.25 -0.97 -1.46 7.83 2.88 -1.02 -4.94 113.62 113.69 1hk6 n SER 56 Ca 0.00 -1.56 0.00 0.00 -1.33 0.00 0.00 58.87 55.98 1hk6 n SER 56 Cb 0.00 1.59 0.00 0.00 -0.75 0.00 0.00 64.21 65.05 1hk6 n SER 56 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1hk6 n ALA 57 N -1.82 3.48 0.00 -1.46 0.00 -1.26 -3.67 120.51 115.78 1hk6 n ALA 57 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1hk6 n ALA 57 Cb 0.30 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 1.38 0.00 -4.72 0.00 3.41 -1.26 -3.13 113.62 109.29 1hk6 n SER 58 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.20 1hk6 n SER 58 Cb 0.44 0.04 -0.04 0.00 -0.26 0.00 0.00 64.21 64.39 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 -1.35 4.54 -0.26 4.33 2.20 -1.24 -3.47 119.74 124.47 1hk6 s LYS 59 Ca 0.00 1.20 -0.01 0.00 -0.36 0.00 0.00 55.97 56.80 1hk6 s LYS 59 Cb 0.00 -3.42 0.15 0.00 -1.51 0.00 0.00 37.83 33.05 1hk6 s LYS 59 CO 0.00 0.11 0.39 0.42 -0.36 0.00 0.00 175.35 175.91 1hk6 s ILE 60 N 0.51 -0.62 0.01 5.43 1.01 -0.96 -2.43 121.20 124.15 1hk6 s ILE 60 Ca 0.44 -0.17 -0.30 0.00 0.00 0.00 0.00 60.65 60.63 1hk6 s ILE 60 Cb -0.20 -0.89 -0.03 0.00 0.01 0.00 0.00 42.46 41.34 1hk6 s ILE 60 CO 0.25 -0.19 0.97 0.54 0.00 0.00 0.00 174.94 176.50 1hk6 s VAL 61 N 2.55 4.82 -0.27 2.92 0.11 -1.14 -2.15 120.40 127.24 1hk6 s VAL 61 Ca 0.12 2.04 -0.26 0.00 -2.93 0.00 0.00 61.98 60.95 1hk6 s VAL 61 Cb -0.14 -4.31 0.14 0.00 -1.53 0.00 0.00 36.38 30.54 1hk6 s VAL 61 CO -0.22 0.19 1.13 0.00 -3.33 0.00 0.00 175.10 172.87 1hk6 s ARG 63 N 0.01 4.46 0.00 0.00 1.70 -1.26 -1.76 118.95 122.10 1hk6 s ARG 63 Ca 0.04 1.00 0.00 0.00 -0.47 0.00 0.00 55.73 56.29 1hk6 s ARG 63 Cb -0.04 -3.41 0.00 0.00 -0.57 0.00 0.00 34.95 30.92 1hk6 s ARG 63 CO -0.08 0.15 0.00 1.33 -1.08 0.00 0.00 175.30 175.62 1hk6 n VAL 64 N 3.39 0.00 -0.43 4.99 0.24 -1.10 -4.95 118.33 120.47 1hk6 n VAL 64 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 1hk6 n VAL 64 Cb 0.51 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.88 1hk6 n VAL 64 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1hk6 n GLY 65 N 1.67 1.09 0.00 7.63 0.00 -0.83 -4.50 105.19 110.25 1hk6 n GLY 65 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1hk6 n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hk6 n GLN 66 N 0.00 3.55 -3.52 1.61 10.64 -1.26 -4.42 117.38 123.98 1hk6 n GLN 66 Ca 0.00 0.00 -0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1hk6 n GLN 66 Cb 0.00 0.00 -0.05 0.00 -0.86 0.00 0.00 30.24 29.33 1hk6 n GLN 66 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1hk6 s ALA 67 N -3.72 -2.49 -0.04 2.61 0.00 -1.26 -4.82 121.76 112.04 1hk6 s ALA 67 Ca 0.00 2.13 -0.24 0.00 0.00 0.00 0.00 51.96 53.85 1hk6 s ALA 67 Cb 0.00 -1.89 -0.18 0.00 0.00 0.00 0.00 23.12 21.05 1hk6 s ALA 67 CO 0.00 -0.69 1.09 0.87 0.00 0.00 0.00 175.76 177.02 1hk6 h LYS 68 N 6.92 -0.14 0.00 0.00 1.79 -1.92 -3.40 116.57 119.83 1hk6 h LYS 68 Ca -0.21 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.27 1hk6 h LYS 68 Cb 1.15 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 1hk6 h LYS 68 CO 0.13 0.33 0.00 0.09 -1.08 0.00 0.00 179.45 178.92 1hk6 n ASN 69 N -4.91 0.00 0.00 0.86 3.02 -1.26 -5.04 115.26 107.93 1hk6 n ASN 69 Ca -0.08 0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 1hk6 n ASN 69 Cb 0.27 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.44 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 -0.38 0.00 0.00 6.41 2.03 -1.26 -5.11 116.55 118.24 1hk6 n ASP 70 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1hk6 n ASP 70 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 -4.98 118.16 116.06 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 2.18 0.00 3.71 3.14 0.00 -1.26 -4.86 105.19 108.10 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 -0.35 0.00 0.00 0.00 173.32 172.97 1hk6 s ASP 73 N 0.00 6.56 -0.04 1.61 2.15 -1.26 -2.95 116.67 122.74 1hk6 s ASP 73 Ca 0.00 2.62 -0.24 0.00 0.43 0.00 0.00 52.55 55.36 1hk6 s ASP 73 Cb 0.00 -2.59 -0.04 0.00 -0.30 0.00 0.00 42.92 40.00 1hk6 s ASP 73 CO 0.00 -0.86 0.73 -0.63 -0.17 0.00 0.00 175.17 174.24 1hk6 s ILE 74 N 1.57 4.99 0.03 4.11 1.01 -1.25 -2.46 121.20 129.19 1hk6 s ILE 74 Ca 0.72 1.52 0.03 0.00 0.00 0.00 0.00 60.65 62.92 1hk6 s ILE 74 Cb -0.44 -4.07 -0.02 0.00 0.01 0.00 0.00 42.46 37.94 1hk6 s ILE 74 CO 0.32 0.26 -0.09 -0.63 0.00 0.00 0.00 174.94 174.80 1hk6 s ILE 75 N 0.68 0.68 -0.03 2.92 -1.09 -1.20 -3.32 121.20 119.84 1hk6 s ILE 75 Ca 0.39 -0.80 -0.00 0.00 -2.23 0.00 0.00 60.65 58.00 1hk6 s ILE 75 Cb -0.18 -0.65 0.03 0.00 -1.58 0.00 0.00 42.46 40.07 1hk6 s ILE 75 CO 0.20 -0.12 0.03 0.54 -1.23 0.00 0.00 174.94 174.36 1hk6 s VAL 76 N -0.85 -0.02 0.06 2.92 0.11 -1.26 -3.16 120.40 118.20 1hk6 s VAL 76 Ca -0.03 0.23 -0.11 0.00 -2.93 0.00 0.00 61.98 59.13 1hk6 s VAL 76 Cb -0.07 -0.13 -0.06 0.00 -1.53 0.00 0.00 36.38 34.59 1hk6 s VAL 76 CO 0.00 0.11 0.41 -0.89 -3.33 0.00 0.00 175.10 171.41 1hk6 s THR 77 N 1.24 5.06 -0.01 5.04 2.01 -0.86 -1.68 115.64 126.44 1hk6 s THR 77 Ca -0.07 0.58 0.01 0.00 0.31 0.00 0.00 61.69 62.52 1hk6 s THR 77 Cb -0.13 -3.67 0.00 0.00 0.01 0.00 0.00 72.50 68.72 1hk6 s THR 77 CO -0.03 0.36 -0.03 0.42 -0.69 0.00 0.00 174.62 174.65 1hk6 s THR 78 N -1.32 0.30 0.16 -0.82 -4.23 -1.14 -4.03 115.64 104.54 1hk6 s THR 78 Ca 0.31 -0.12 -0.16 0.00 -1.18 0.00 0.00 61.69 60.54 1hk6 s THR 78 Cb -0.15 -0.28 0.03 0.00 1.34 0.00 0.00 72.50 73.45 1hk6 s THR 78 CO 0.17 0.11 1.73 0.11 -0.54 0.00 0.00 174.62 176.19 1hk6 h LYS 79 N 6.35 0.18 0.39 3.99 1.57 -1.80 -2.95 116.57 124.30 1hk6 h LYS 79 Ca -0.31 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.44 1hk6 h LYS 79 Cb 1.18 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1hk6 h LYS 79 CO 0.50 0.12 -0.19 0.77 -0.57 0.00 0.00 179.45 180.08 1hk6 h SER 80 N 0.19 -0.45 0.00 0.86 0.02 -1.97 -3.44 113.55 108.76 1hk6 h SER 80 Ca 0.17 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1hk6 h SER 80 Cb 0.19 0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1hk6 h SER 80 CO -0.23 -0.11 0.00 0.61 -1.14 0.00 0.00 176.83 175.97 1hk6 n GLY 81 N -0.50 0.84 0.00 -3.77 0.00 -1.13 -4.80 105.19 95.83 1hk6 n GLY 81 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 2.56 3.60 -0.02 0.00 -1.16 -4.77 105.19 110.40 1hk6 n GLY 82 Ca 0.00 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 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 4.09 3.37 0.00 1.61 2.47 -1.26 -2.90 119.74 127.11 1hk6 s LYS 83 Ca 0.00 1.34 0.00 0.00 -1.56 0.00 0.00 55.97 55.75 1hk6 s LYS 83 Cb 0.00 -4.17 0.00 0.00 -1.46 0.00 0.00 37.83 32.20 1hk6 s LYS 83 CO 0.00 -1.82 0.00 0.41 0.16 0.00 0.00 175.35 174.10 1hk6 n GLY 84 N 5.37 -1.62 0.00 5.54 0.00 -0.68 -4.89 105.19 108.91 1hk6 n GLY 84 Ca 0.22 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.74 1hk6 n GLY 84 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1hk6 n THR 85 N -0.55 0.00 -3.64 2.61 -2.24 -0.97 -4.66 114.28 104.83 1hk6 n THR 85 Ca 0.00 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.75 1hk6 n THR 85 Cb 0.00 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.16 1hk6 n THR 85 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1hk6 s SER 86 N -0.74 -0.40 -0.26 3.42 0.15 -1.21 -3.22 113.70 111.45 1hk6 s SER 86 Ca 0.00 0.67 0.02 0.00 0.70 0.00 0.00 55.95 57.33 1hk6 s SER 86 Cb 0.00 1.07 0.33 0.00 -1.71 0.00 0.00 66.02 65.72 1hk6 s SER 86 CO 0.00 -0.11 1.57 0.35 1.20 0.00 0.00 173.24 176.26 1hk6 n THR 87 N 3.29 2.28 -3.72 6.45 -2.24 -1.22 -4.73 114.28 114.39 1hk6 n THR 87 Ca -0.17 -1.14 -0.14 0.00 -2.27 0.00 0.00 64.05 60.34 1hk6 n THR 87 Cb 0.57 -0.82 -0.09 0.00 -2.10 0.00 0.00 70.33 67.89 1hk6 n THR 87 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1hk6 s VAL 88 N -1.87 0.01 -0.06 2.28 -7.23 -1.26 -5.05 120.40 107.23 1hk6 s VAL 88 Ca 0.31 -0.09 0.04 0.00 -1.81 0.00 0.00 61.98 60.43 1hk6 s VAL 88 Cb 0.25 -0.63 -0.00 0.00 0.56 0.00 0.00 36.38 36.56 1hk6 s VAL 88 CO 0.05 -0.05 -0.18 -0.94 -0.31 0.00 0.00 175.10 173.67 1hk6 s SER 89 N -0.15 2.31 -0.09 4.85 1.04 -1.26 -3.92 113.70 116.47 1hk6 s SER 89 Ca -0.03 -0.39 -0.24 0.00 0.48 0.00 0.00 55.95 55.77 1hk6 s SER 89 Cb -0.03 -0.77 -0.03 0.00 0.10 0.00 0.00 66.02 65.29 1hk6 s SER 89 CO 0.02 0.14 0.75 0.12 0.98 0.00 0.00 173.24 175.25 1hk6 s PHE 90 N 0.16 3.53 -0.17 5.02 5.36 -1.15 -4.94 117.98 125.79 1hk6 s PHE 90 Ca -0.08 1.26 -0.27 0.00 -0.96 0.00 0.00 56.93 56.89 1hk6 s PHE 90 Cb -0.13 -2.88 -0.01 0.00 -0.34 0.00 0.00 43.02 39.66 1hk6 s PHE 90 CO 0.03 -0.01 0.92 0.21 -1.46 0.00 0.00 175.22 174.91 1hk6 s LYS 91 N 1.20 4.31 -0.04 10.12 2.20 -1.26 -4.54 119.74 131.72 1hk6 s LYS 91 Ca 0.38 1.17 -0.28 0.00 -0.36 0.00 0.00 55.97 56.88 1hk6 s LYS 91 Cb -0.18 -3.58 -0.03 0.00 -1.51 0.00 0.00 37.83 32.53 1hk6 s LYS 91 CO 0.17 -0.40 0.91 -0.51 -0.36 0.00 0.00 175.35 175.16 1hk6 s LEU 92 N 2.37 4.32 -0.16 5.43 1.43 -1.26 -3.68 118.68 127.13 1hk6 s LEU 92 Ca 0.42 1.50 -0.10 0.00 -1.03 0.00 0.00 54.13 54.91 1hk6 s LEU 92 Cb -0.17 -3.43 -0.05 0.00 0.03 0.00 0.00 46.19 42.58 1hk6 s LEU 92 CO 0.12 -0.27 0.18 -0.76 0.23 0.00 0.00 176.35 175.85 1hk6 s LEU 93 N 1.20 4.28 0.16 1.79 1.43 -1.15 -4.97 118.68 121.43 1hk6 s LEU 93 Ca 0.47 0.39 -0.30 0.00 -1.03 0.00 0.00 54.13 53.66 1hk6 s LEU 93 Cb -0.19 -2.17 -0.07 0.00 0.03 0.00 0.00 46.19 43.78 1hk6 s LEU 93 CO 0.23 0.24 1.15 -0.54 0.23 0.00 0.00 176.35 177.65 1hk6 s LYS 94 N -0.09 4.53 0.18 1.70 -0.14 -1.26 -4.11 119.74 120.55 1hk6 s LYS 94 Ca 0.12 1.78 -0.33 0.00 -1.36 0.00 0.00 55.97 56.18 1hk6 s LYS 94 Cb -0.12 -3.27 -0.14 0.00 -1.68 0.00 0.00 37.83 32.62 1hk6 s LYS 94 CO 0.02 -0.03 1.57 -2.30 -0.76 0.00 0.00 175.35 173.85 1hk6 n PRO 95 N 2.63 2.21 -2.40 -1.68 -0.02 -1.26 -4.91 135.00 129.58 1hk6 n PRO 95 Ca 0.04 0.80 -0.43 0.00 -2.02 0.00 0.00 63.50 61.89 1hk6 n PRO 95 Cb 0.46 -2.56 -0.02 0.00 -0.02 0.00 0.00 33.50 31.35 1hk6 n PRO 95 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1hk6 s GLU 96 N 0.72 3.97 0.00 -0.52 8.01 -1.26 -5.23 118.70 124.39 1hk6 s GLU 96 Ca 0.77 1.36 0.06 0.00 0.01 0.00 0.00 54.97 57.17 1hk6 s GLU 96 Cb -0.65 -3.87 0.35 0.00 -4.31 0.00 0.00 34.13 25.65 1hk6 s GLU 96 CO 0.39 -1.06 0.82 1.17 0.01 0.00 0.00 175.26 176.60