#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 3.07 -1.53 -0.41 2.81 -1.26 -4.95 117.12 114.85 1hk6 n MET 4 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1hk6 n MET 4 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 1hk6 n MET 4 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1hk6 n ARG 5 N 0.00 -4.33 -1.95 0.03 1.74 -1.26 -4.77 116.66 106.11 1hk6 n ARG 5 Ca 0.00 3.17 -0.41 0.00 -0.77 0.00 0.00 57.85 59.84 1hk6 n ARG 5 Cb 0.00 -3.53 -0.02 0.00 -1.02 0.00 0.00 32.46 27.88 1hk6 n ARG 5 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 1hk6 s GLN 6 N -3.18 4.23 0.55 5.56 -2.07 -1.26 -4.89 119.66 118.60 1hk6 s GLN 6 Ca 0.00 2.37 -0.21 0.00 -1.82 0.00 0.00 55.36 55.70 1hk6 s GLN 6 Cb 0.00 -3.10 -0.05 0.00 -1.09 0.00 0.00 33.01 28.78 1hk6 s GLN 6 CO 0.00 -0.49 1.29 -1.25 -1.32 0.00 0.00 175.29 173.52 1hk6 s PRO 7 N -0.19 3.16 0.38 9.60 0.04 -1.26 -4.92 135.00 141.81 1hk6 s PRO 7 Ca 0.62 2.05 -0.25 0.00 0.04 0.00 0.00 61.00 63.46 1hk6 s PRO 7 Cb -0.43 -2.18 -0.12 0.00 0.04 0.00 0.00 34.50 31.81 1hk6 s PRO 7 CO 0.42 -1.12 0.82 -2.30 0.04 0.00 0.00 177.00 174.86 1hk6 n PRO 8 N -1.13 0.99 -3.71 0.56 -0.02 -1.26 -4.79 135.00 125.64 1hk6 n PRO 8 Ca 0.11 0.35 -0.27 0.00 -2.02 0.00 0.00 63.50 61.68 1hk6 n PRO 8 Cb 0.47 -1.74 -0.17 0.00 -0.02 0.00 0.00 33.50 32.04 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 0.70 0.91 0.02 2.45 2.96 -0.22 -1.17 118.68 124.31 1hk6 s LEU 9 Ca 0.62 -0.66 -0.30 0.00 -0.22 0.00 0.00 54.13 53.57 1hk6 s LEU 9 Cb -0.63 -0.49 -0.04 0.00 0.50 0.00 0.00 46.19 45.53 1hk6 s LEU 9 CO 0.58 -0.30 1.04 -0.69 -1.32 0.00 0.00 176.35 175.66 1hk6 s VAL 10 N 1.94 4.63 -0.35 1.68 1.01 -0.72 0.35 120.40 128.94 1hk6 s VAL 10 Ca 0.01 1.89 0.14 0.00 0.00 0.00 0.00 61.98 64.02 1hk6 s VAL 10 Cb -0.16 -4.21 0.43 0.00 0.00 0.00 0.00 36.38 32.44 1hk6 s VAL 10 CO -0.08 0.15 1.21 0.35 0.00 0.00 0.00 175.10 176.73 1hk6 n THR 11 N 3.91 0.48 -3.64 3.92 -2.24 -0.44 -4.03 114.28 112.23 1hk6 n THR 11 Ca 0.07 -2.13 -0.03 0.00 -2.27 0.00 0.00 64.05 59.69 1hk6 n THR 11 Cb 0.50 0.91 -0.06 0.00 -2.10 0.00 0.00 70.33 69.59 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 -2.13 0.21 -0.29 3.38 0.00 -0.59 -4.76 107.32 103.13 1hk6 s GLY 12 Ca 0.23 3.15 -0.15 0.00 0.00 0.00 0.00 44.72 47.94 1hk6 s GLY 12 CO -0.04 1.51 0.82 -1.50 0.00 0.00 0.00 173.10 173.88 1hk6 s ILE 13 N -0.52 -0.14 0.02 0.90 2.07 -1.26 -2.39 121.20 119.88 1hk6 s ILE 13 Ca 0.08 0.00 -0.28 0.00 -1.41 0.00 0.00 60.65 59.04 1hk6 s ILE 13 Cb -0.03 -1.00 -0.16 0.00 0.13 0.00 0.00 42.46 41.40 1hk6 s ILE 13 CO -0.11 0.00 1.23 -1.28 -1.91 0.00 0.00 174.94 172.87 1hk6 h SER 14 N 6.79 -0.72 -3.59 4.50 0.87 -1.97 -3.40 113.55 116.02 1hk6 h SER 14 Ca -0.27 -0.02 -0.65 0.00 -1.23 0.00 0.00 61.79 59.63 1hk6 h SER 14 Cb 1.19 0.19 -0.15 0.00 -0.44 0.00 0.00 62.40 63.19 1hk6 h SER 14 CO 0.16 -0.37 0.15 -2.16 -0.53 0.00 0.00 176.83 174.09 1hk6 s PRO 15 N -4.94 3.36 -0.17 2.24 0.04 -1.26 -4.91 135.00 129.36 1hk6 s PRO 15 Ca -0.15 -0.27 0.05 0.00 0.04 0.00 0.00 61.00 60.67 1hk6 s PRO 15 Cb 0.02 -3.92 0.39 0.00 0.04 0.00 0.00 34.50 31.03 1hk6 s PRO 15 CO 0.49 -0.97 1.29 0.09 0.04 0.00 0.00 177.00 177.94 1hk6 n ASN 16 N 6.28 3.43 -3.65 6.66 3.02 -1.26 -4.79 115.26 124.95 1hk6 n ASN 16 Ca -0.01 -2.64 0.02 0.00 -0.03 0.00 0.00 54.58 51.92 1hk6 n ASN 16 Cb 0.48 -0.63 -0.06 0.00 -0.61 0.00 0.00 39.78 38.96 1hk6 n ASN 16 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 1hk6 s GLU 17 N -1.82 0.03 0.00 3.52 1.03 -1.26 -4.40 118.70 115.79 1hk6 s GLU 17 Ca 0.29 0.04 0.00 0.00 0.03 0.00 0.00 54.97 55.33 1hk6 s GLU 17 Cb 0.23 0.01 0.00 0.00 -0.80 0.00 0.00 34.13 33.57 1hk6 s GLU 17 CO 0.07 -0.00 0.00 0.41 -1.33 0.00 0.00 175.26 174.41 1hk6 n GLY 18 N 2.71 2.12 3.45 -3.83 0.00 -1.24 -5.01 105.19 103.40 1hk6 n GLY 18 Ca -0.16 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.39 0.00 -0.15 -0.61 -5.35 -1.26 -2.64 119.36 108.97 1hk6 n ILE 19 Ca 0.00 -0.23 -0.06 0.00 -0.27 0.00 0.00 62.75 62.19 1hk6 n ILE 19 Cb 0.00 -0.78 -0.00 0.00 -1.74 0.00 0.00 39.64 37.12 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 -2.00 -0.19 0.00 6.28 0.11 -1.86 0.65 132.00 134.99 1hk6 h PRO 20 Ca -0.50 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1hk6 h PRO 20 Cb 1.31 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.46 1hk6 h PRO 20 CO 0.40 -0.13 0.00 0.91 -0.21 0.00 0.00 178.00 178.97 1hk6 n TRP 21 N -5.42 0.00 -1.82 0.65 7.02 -1.26 -0.42 117.44 116.20 1hk6 n TRP 21 Ca 0.02 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.08 1hk6 n TRP 21 Cb 0.34 -0.44 -0.03 0.00 -2.42 0.00 0.00 31.31 28.75 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 -2.89 2.56 0.14 -0.99 2.01 0.22 -4.70 115.64 112.00 1hk6 s THR 22 Ca 0.07 0.23 -0.31 0.00 0.31 0.00 0.00 61.69 62.00 1hk6 s THR 22 Cb 0.08 -3.15 -0.08 0.00 0.01 0.00 0.00 72.50 69.36 1hk6 s THR 22 CO 0.21 0.01 1.35 -0.75 -0.69 0.00 0.00 174.62 174.75 1hk6 s LYS 23 N 2.02 4.35 -0.09 4.92 2.20 -1.26 -3.83 119.74 128.05 1hk6 s LYS 23 Ca 0.75 2.06 0.02 0.00 -0.36 0.00 0.00 55.97 58.44 1hk6 s LYS 23 Cb -0.45 -3.23 0.01 0.00 -1.51 0.00 0.00 37.83 32.65 1hk6 s LYS 23 CO 0.33 -0.36 -0.15 0.14 -0.36 0.00 0.00 175.35 174.95 1hk6 s VAL 24 N 0.73 1.43 -0.27 4.02 -7.23 -1.18 -4.87 120.40 113.03 1hk6 s VAL 24 Ca 0.61 -0.63 -0.28 0.00 -1.81 0.00 0.00 61.98 59.88 1hk6 s VAL 24 Cb -0.36 -1.29 0.01 0.00 0.56 0.00 0.00 36.38 35.29 1hk6 s VAL 24 CO 0.33 0.42 1.00 -0.89 -0.31 0.00 0.00 175.10 175.65 1hk6 s THR 25 N 0.78 4.65 0.21 5.32 2.01 -1.26 -3.82 115.64 123.53 1hk6 s THR 25 Ca -0.11 1.78 -0.30 0.00 0.31 0.00 0.00 61.69 63.37 1hk6 s THR 25 Cb -0.16 -4.30 -0.08 0.00 0.01 0.00 0.00 72.50 67.97 1hk6 s THR 25 CO 0.02 -0.27 0.95 -0.63 -0.69 0.00 0.00 174.62 174.00 1hk6 s ILE 26 N 3.28 4.16 -0.10 1.82 1.01 -0.70 -3.83 121.20 126.84 1hk6 s ILE 26 Ca 0.42 2.06 -0.08 0.00 0.00 0.00 0.00 60.65 63.05 1hk6 s ILE 26 Cb -0.14 -4.31 0.03 0.00 0.01 0.00 0.00 42.46 38.05 1hk6 s ILE 26 CO 0.10 0.44 0.26 -0.13 0.00 0.00 0.00 174.94 175.61 1hk6 s ARG 27 N -0.86 0.28 0.00 2.79 1.81 -1.01 -2.90 118.95 119.07 1hk6 s ARG 27 Ca 0.43 0.42 0.00 0.00 -1.72 0.00 0.00 55.73 54.86 1hk6 s ARG 27 Cb -0.26 0.07 0.00 0.00 -0.45 0.00 0.00 34.95 34.31 1hk6 s ARG 27 CO 0.32 -0.07 0.00 0.41 -0.68 0.00 0.00 175.30 175.27 1hk6 n GLY 28 N 3.34 1.79 3.08 -3.53 0.00 -1.25 -1.33 105.19 107.29 1hk6 n GLY 28 Ca -0.17 0.15 -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 4.21 0.23 -1.29 1.61 2.02 0.15 -4.73 118.70 120.90 1hk6 s GLU 29 Ca 0.00 0.52 -0.07 0.00 0.02 0.00 0.00 54.97 55.44 1hk6 s GLU 29 Cb 0.00 -0.08 0.01 0.00 0.10 0.00 0.00 34.13 34.16 1hk6 s GLU 29 CO 0.00 -0.15 1.12 0.09 0.02 0.00 0.00 175.26 176.34 1hk6 n ASN 30 N 4.06 -5.49 -2.37 -0.19 3.02 -1.25 -1.06 115.26 111.98 1hk6 n ASN 30 Ca -0.23 -0.54 -0.20 0.00 -0.03 0.00 0.00 54.58 53.58 1hk6 n ASN 30 Cb 0.54 -4.91 -0.12 0.00 -0.61 0.00 0.00 39.78 34.67 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 -4.72 6.17 -1.29 3.41 4.32 -1.15 -4.08 117.00 119.66 1hk6 n LEU 31 Ca -0.04 -3.59 0.00 0.00 -0.02 0.00 0.00 56.01 52.35 1hk6 n LEU 31 Cb 0.58 -1.42 0.00 0.00 -1.62 0.00 0.00 43.42 40.96 1hk6 n LEU 31 CO 0.62 1.79 -0.25 0.61 -1.22 0.00 0.00 177.39 178.94 1hk6 n GLY 32 N 2.43 -4.54 2.12 -0.72 0.00 -1.26 -4.27 105.19 98.95 1hk6 n GLY 32 Ca 0.51 -0.51 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 0.88 3.13 0.00 2.61 -2.24 -1.26 -3.65 114.28 113.75 1hk6 n THR 33 Ca 0.00 -2.28 0.00 0.00 -2.27 0.00 0.00 64.05 59.50 1hk6 n THR 33 Cb 0.00 -1.30 0.00 0.00 -2.10 0.00 0.00 70.33 66.93 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 -0.05 1.40 0.29 3.38 0.00 -1.26 -4.98 105.19 103.97 1hk6 n GLY 34 Ca 0.43 -0.09 0.03 0.00 0.00 0.00 0.00 46.02 46.39 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 0.66 -0.43 1.61 0.11 -1.94 -1.06 132.00 130.94 1hk6 h PRO 35 Ca 0.00 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.02 1hk6 h PRO 35 Cb 0.00 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 30.94 1hk6 h PRO 35 CO 0.00 0.44 0.05 1.79 -0.21 0.00 0.00 178.00 180.07 1hk6 h THR 36 N 0.68 1.21 -0.45 -1.15 1.35 -1.99 -2.97 112.91 109.59 1hk6 h THR 36 Ca 0.40 -0.82 0.09 0.00 -0.55 0.00 0.00 66.41 65.52 1hk6 h THR 36 Cb 0.43 0.83 -0.08 0.00 -1.73 0.00 0.00 68.15 67.61 1hk6 h THR 36 CO -0.28 0.29 -0.03 0.44 -0.25 0.00 0.00 175.52 175.69 1hk6 h ASP 37 N 0.64 -0.25 -3.16 5.36 3.32 -1.57 -3.41 116.42 117.35 1hk6 h ASP 37 Ca 0.14 0.11 -0.53 0.00 0.02 0.00 0.00 57.03 56.78 1hk6 h ASP 37 Cb 0.33 0.21 0.04 0.00 0.22 0.00 0.00 39.33 40.13 1hk6 h ASP 37 CO 0.01 -0.09 0.75 -0.22 -1.72 0.00 0.00 179.24 177.97 1hk6 s LEU 38 N -10.58 4.39 0.00 1.55 1.98 -1.13 -1.34 118.68 113.56 1hk6 s LEU 38 Ca -0.14 2.50 0.00 0.00 -2.89 0.00 0.00 54.13 53.61 1hk6 s LEU 38 Cb 0.15 -3.60 0.00 0.00 0.66 0.00 0.00 46.19 43.40 1hk6 s LEU 38 CO 0.72 -0.67 0.00 2.30 -1.89 0.00 0.00 176.35 176.80 1hk6 n ILE 39 N 3.18 0.00 -5.28 6.68 -5.35 -1.23 -4.97 119.36 112.39 1hk6 n ILE 39 Ca 0.09 0.00 -0.31 0.00 -0.27 0.00 0.00 62.75 62.26 1hk6 n ILE 39 Cb 0.41 0.00 -0.16 0.00 -1.74 0.00 0.00 39.64 38.15 1hk6 n ILE 39 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1hk6 s GLY 40 N -0.45 1.29 -0.14 3.28 0.00 -1.24 -5.00 107.32 105.06 1hk6 s GLY 40 Ca 0.00 -1.08 -0.08 0.00 0.00 0.00 0.00 44.72 43.56 1hk6 s GLY 40 CO 0.00 -0.76 0.35 -2.27 0.00 0.00 0.00 173.10 170.42 1hk6 s LEU 41 N -0.35 0.19 -0.16 0.66 1.98 -1.26 -2.14 118.68 117.60 1hk6 s LEU 41 Ca 0.02 0.74 -0.18 0.00 -2.89 0.00 0.00 54.13 51.83 1hk6 s LEU 41 Cb -0.12 1.13 0.05 0.00 0.66 0.00 0.00 46.19 47.90 1hk6 s LEU 41 CO 0.02 -0.17 0.49 0.42 -1.89 0.00 0.00 176.35 175.21 1hk6 s THR 42 N 1.15 0.01 -0.06 3.68 -4.23 -1.16 -2.35 115.64 112.68 1hk6 s THR 42 Ca -0.08 -0.05 -0.01 0.00 -1.18 0.00 0.00 61.69 60.37 1hk6 s THR 42 Cb -0.08 -0.70 0.03 0.00 1.34 0.00 0.00 72.50 73.08 1hk6 s THR 42 CO -0.09 -0.03 -0.00 -0.63 -0.54 0.00 0.00 174.62 173.33 1hk6 s ILE 43 N -0.01 0.34 -1.40 2.99 1.01 -0.19 -2.90 121.20 121.05 1hk6 s ILE 43 Ca -0.02 0.09 -0.10 0.00 0.00 0.00 0.00 60.65 60.62 1hk6 s ILE 43 Cb -0.03 -0.47 0.03 0.00 0.01 0.00 0.00 42.46 41.99 1hk6 s ILE 43 CO 0.02 0.23 1.14 0.00 0.00 0.00 0.00 174.94 176.33 1hk6 n GLY 45 N -1.94 1.88 3.73 0.00 0.00 -1.26 -1.20 105.19 106.40 1hk6 n GLY 45 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 3.31 0.36 1.61 5.65 -0.71 -4.98 115.29 120.53 1hk6 s HIS 46 Ca 0.00 1.22 -0.26 0.00 0.25 0.00 0.00 55.06 56.27 1hk6 s HIS 46 Cb 0.00 -3.56 -0.09 0.00 -1.18 0.00 0.00 32.58 27.75 1hk6 s HIS 46 CO 0.00 -1.77 1.07 0.54 -0.65 0.00 0.00 174.74 173.93 1hk6 s ASN 47 N 0.55 6.90 -0.35 9.88 4.22 -1.26 -1.03 114.94 133.85 1hk6 s ASN 47 Ca 0.58 2.13 0.13 0.00 -2.14 0.00 0.00 52.86 53.56 1hk6 s ASN 47 Cb -0.35 -2.60 0.42 0.00 1.28 0.00 0.00 41.25 40.00 1hk6 s ASN 47 CO 0.35 -0.39 1.31 0.00 -2.04 0.00 0.00 177.10 176.32 1hk6 h LEU 49 N 1.99 0.11 -1.74 0.00 5.85 -1.92 -1.80 115.31 117.79 1hk6 h LEU 49 Ca -0.28 -0.64 -0.02 0.00 0.84 0.00 0.00 57.88 57.78 1hk6 h LEU 49 Cb 1.27 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.27 1hk6 h LEU 49 CO 0.03 0.73 -0.09 0.17 -0.34 0.00 0.00 178.44 178.94 1hk6 h LEU 50 N -0.51 0.04 0.21 2.25 8.10 -1.94 -2.61 115.31 120.85 1hk6 h LEU 50 Ca -0.00 -0.00 -0.32 0.00 0.11 0.00 0.00 57.88 57.66 1hk6 h LEU 50 Cb 0.73 -0.01 0.03 0.00 -0.44 0.00 0.00 40.66 40.96 1hk6 h LEU 50 CO 0.02 0.14 -1.40 0.71 -4.11 0.00 0.00 178.44 173.80 1hk6 h THR 51 N 0.05 1.35 -3.70 0.15 1.35 -1.95 -3.45 112.91 106.70 1hk6 h THR 51 Ca 0.01 -2.81 -0.53 0.00 -0.55 0.00 0.00 66.41 62.53 1hk6 h THR 51 Cb 0.19 3.01 0.07 0.00 -1.73 0.00 0.00 68.15 69.70 1hk6 h THR 51 CO 0.01 0.83 0.73 0.00 -0.25 0.00 0.00 175.52 176.85 1hk6 s ALA 52 N -2.63 3.58 -0.09 6.62 0.00 -0.68 -4.71 121.76 123.85 1hk6 s ALA 52 Ca -0.07 1.39 0.02 0.00 0.00 0.00 0.00 51.96 53.30 1hk6 s ALA 52 Cb 0.05 -3.55 0.01 0.00 0.00 0.00 0.00 23.12 19.63 1hk6 s ALA 52 CO 0.93 -0.81 -0.14 -2.00 0.00 0.00 0.00 175.76 173.73 1hk6 s GLU 53 N -1.33 2.05 0.44 0.00 2.56 -0.42 -4.93 118.70 117.07 1hk6 s GLU 53 Ca 0.54 -0.51 -0.25 0.00 0.00 0.00 0.00 54.97 54.75 1hk6 s GLU 53 Cb -0.43 -1.72 -0.08 0.00 2.00 0.00 0.00 34.13 33.91 1hk6 s GLU 53 CO 0.52 -0.01 1.34 -0.46 -0.56 0.00 0.00 175.26 176.09 1hk6 s TRP 54 N 0.83 2.63 0.03 5.30 -0.00 -1.26 -3.01 118.94 123.47 1hk6 s TRP 54 Ca -0.10 1.37 0.00 0.00 -0.00 0.00 0.00 56.10 57.37 1hk6 s TRP 54 Cb -0.15 -3.74 0.00 0.00 -0.00 0.00 0.00 33.47 29.58 1hk6 s TRP 54 CO 0.01 -2.42 0.00 -1.33 -0.00 0.00 0.00 176.95 173.22 1hk6 n MET 55 N -0.19 0.00 -1.65 5.86 2.81 -1.19 -4.92 117.12 117.83 1hk6 n MET 55 Ca 0.05 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.93 1hk6 n MET 55 Cb 0.44 -0.18 0.01 0.00 -0.71 0.00 0.00 33.22 32.78 1hk6 n MET 55 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1hk6 n SER 56 N -2.77 -0.48 -1.47 7.83 7.64 -0.94 -4.96 113.62 118.46 1hk6 n SER 56 Ca 0.00 -1.32 -0.01 0.00 1.01 0.00 0.00 58.87 58.55 1hk6 n SER 56 Cb 0.16 0.80 0.00 0.00 -1.01 0.00 0.00 64.21 64.16 1hk6 n SER 56 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1hk6 n ALA 57 N -2.48 3.91 0.00 -0.43 0.00 -1.24 -3.88 120.51 116.40 1hk6 n ALA 57 Ca -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1hk6 n ALA 57 Cb 0.13 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1hk6 n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1hk6 n SER 58 N 1.38 0.00 -4.75 0.00 2.88 -1.26 -2.94 113.62 108.93 1hk6 n SER 58 Ca 0.01 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.16 1hk6 n SER 58 Cb 0.50 0.01 -0.05 0.00 -0.75 0.00 0.00 64.21 63.93 1hk6 n SER 58 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1hk6 s LYS 59 N -1.37 4.41 -0.19 -1.46 2.20 -1.24 -3.27 119.74 118.83 1hk6 s LYS 59 Ca 0.00 0.89 -0.07 0.00 -0.36 0.00 0.00 55.97 56.44 1hk6 s LYS 59 Cb 0.00 -3.37 0.09 0.00 -1.51 0.00 0.00 37.83 33.04 1hk6 s LYS 59 CO 0.00 0.29 0.39 0.42 -0.36 0.00 0.00 175.35 176.09 1hk6 s ILE 60 N 0.01 -0.59 -0.04 5.43 1.01 -1.14 -2.21 121.20 123.66 1hk6 s ILE 60 Ca 0.35 0.19 -0.21 0.00 0.00 0.00 0.00 60.65 60.97 1hk6 s ILE 60 Cb -0.19 -0.63 -0.05 0.00 0.01 0.00 0.00 42.46 41.61 1hk6 s ILE 60 CO 0.20 0.08 0.63 -0.69 0.00 0.00 0.00 174.94 175.15 1hk6 s VAL 61 N 2.55 4.99 -0.27 2.92 1.01 -1.16 -1.72 120.40 128.71 1hk6 s VAL 61 Ca -0.01 1.30 -0.26 0.00 0.00 0.00 0.00 61.98 63.01 1hk6 s VAL 61 Cb -0.12 -3.97 0.14 0.00 0.00 0.00 0.00 36.38 32.43 1hk6 s VAL 61 CO -0.12 0.34 1.12 0.00 0.00 0.00 0.00 175.10 176.44 1hk6 s ARG 63 N 0.00 4.46 0.21 0.00 1.70 -1.26 -3.13 118.95 120.93 1hk6 s ARG 63 Ca 0.04 1.04 -0.10 0.00 -0.47 0.00 0.00 55.73 56.23 1hk6 s ARG 63 Cb -0.04 -3.22 0.16 0.00 -0.57 0.00 0.00 34.95 31.28 1hk6 s ARG 63 CO -0.07 0.57 1.88 0.28 -1.08 0.00 0.00 175.30 176.87 1hk6 h VAL 64 N 3.31 1.18 0.00 4.99 2.07 -1.13 -3.46 116.25 123.21 1hk6 h VAL 64 Ca -0.48 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 66.70 1hk6 h VAL 64 Cb 1.21 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1hk6 h VAL 64 CO 0.65 0.18 0.00 0.61 0.02 0.00 0.00 177.57 179.03 1hk6 n GLY 65 N -1.30 1.14 0.00 2.17 0.00 0.45 -4.71 105.19 102.93 1hk6 n GLY 65 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 -3.64 1.61 10.64 -1.26 -4.55 117.38 120.17 1hk6 n GLN 66 Ca 0.00 0.00 -0.04 0.00 -1.83 0.00 0.00 57.00 55.13 1hk6 n GLN 66 Cb 0.00 0.00 -0.07 0.00 -0.86 0.00 0.00 30.24 29.31 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 -1.00 -2.25 -0.03 2.61 0.00 -1.26 -4.88 121.76 114.96 1hk6 s ALA 67 Ca 0.00 1.94 -0.00 0.00 0.00 0.00 0.00 51.96 53.89 1hk6 s ALA 67 Cb 0.00 -1.70 -0.02 0.00 0.00 0.00 0.00 23.12 21.40 1hk6 s ALA 67 CO 0.00 -0.25 -0.03 1.17 0.00 0.00 0.00 175.76 176.66 1hk6 n LYS 68 N 2.62 0.07 0.00 0.00 0.00 -0.34 -5.00 118.16 115.51 1hk6 n LYS 68 Ca -0.14 0.02 0.00 0.00 0.00 0.00 0.00 58.31 58.19 1hk6 n LYS 68 Cb 0.57 -0.90 0.00 0.00 0.00 0.00 0.00 35.03 34.70 1hk6 n LYS 68 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1hk6 n ASN 69 N -2.78 0.00 0.00 3.14 2.85 -0.48 -5.01 115.26 112.98 1hk6 n ASN 69 Ca -0.05 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.42 1hk6 n ASN 69 Cb 0.55 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.57 1hk6 n ASN 69 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1hk6 n ASP 70 N 0.00 0.00 -0.05 1.20 2.03 -1.26 -4.97 116.55 113.50 1hk6 n ASP 70 Ca 0.00 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.18 1hk6 n ASP 70 Cb 0.00 0.25 -0.07 0.00 -0.72 0.00 0.00 41.12 40.58 1hk6 n ASP 70 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1hk6 h LYS 71 N 0.00 0.33 -0.86 -0.67 1.63 -1.97 -3.49 116.57 111.54 1hk6 h LYS 71 Ca 0.00 -0.18 0.00 0.00 -0.85 0.00 0.00 60.65 59.62 1hk6 h LYS 71 Cb 0.00 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.64 1hk6 h LYS 71 CO 0.00 0.73 0.00 0.41 -3.45 0.00 0.00 179.45 177.14 1hk6 n GLY 72 N 0.24 0.75 3.72 5.01 0.00 -1.26 -4.34 105.19 109.31 1hk6 n GLY 72 Ca -0.06 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.42 6.97 -0.68 1.61 1.01 -1.26 -2.93 116.67 118.97 1hk6 s ASP 73 Ca 0.00 2.23 -0.24 0.00 0.71 0.00 0.00 52.55 55.25 1hk6 s ASP 73 Cb 0.00 -2.59 0.06 0.00 1.01 0.00 0.00 42.92 41.39 1hk6 s ASP 73 CO 0.00 -0.52 1.06 -0.63 0.21 0.00 0.00 175.17 175.29 1hk6 s ILE 74 N 0.66 4.15 -0.10 0.77 1.01 -1.26 -3.92 121.20 122.51 1hk6 s ILE 74 Ca 0.59 -0.10 -0.09 0.00 0.00 0.00 0.00 60.65 61.05 1hk6 s ILE 74 Cb -0.34 -4.75 -0.04 0.00 0.01 0.00 0.00 42.46 37.34 1hk6 s ILE 74 CO 0.33 -1.56 0.20 -0.63 0.00 0.00 0.00 174.94 173.27 1hk6 s ILE 75 N 4.55 5.41 -0.06 2.92 -1.09 -1.14 -4.22 121.20 127.57 1hk6 s ILE 75 Ca 0.26 0.34 -0.03 0.00 -2.23 0.00 0.00 60.65 59.00 1hk6 s ILE 75 Cb -0.14 -3.47 0.04 0.00 -1.58 0.00 0.00 42.46 37.31 1hk6 s ILE 75 CO 0.12 0.59 0.10 0.54 -1.23 0.00 0.00 174.94 175.07 1hk6 s VAL 76 N -0.89 -0.18 0.15 2.92 0.11 -1.23 -3.00 120.40 118.28 1hk6 s VAL 76 Ca 0.16 0.39 -0.13 0.00 -2.93 0.00 0.00 61.98 59.48 1hk6 s VAL 76 Cb -0.13 -0.21 -0.07 0.00 -1.53 0.00 0.00 36.38 34.44 1hk6 s VAL 76 CO 0.05 0.16 0.53 -0.89 -3.33 0.00 0.00 175.10 171.63 1hk6 s THR 77 N 2.21 4.90 0.00 5.04 2.01 -0.91 0.29 115.64 129.18 1hk6 s THR 77 Ca 0.04 0.72 -0.01 0.00 0.31 0.00 0.00 61.69 62.75 1hk6 s THR 77 Cb -0.12 -3.70 -0.00 0.00 0.01 0.00 0.00 72.50 68.68 1hk6 s THR 77 CO -0.04 0.19 0.01 0.42 -0.69 0.00 0.00 174.62 174.51 1hk6 s THR 78 N -1.52 0.03 0.18 -0.82 -4.23 -1.26 -3.58 115.64 104.44 1hk6 s THR 78 Ca 0.39 -0.26 -0.15 0.00 -1.18 0.00 0.00 61.69 60.49 1hk6 s THR 78 Cb -0.14 -0.11 0.12 0.00 1.34 0.00 0.00 72.50 73.71 1hk6 s THR 78 CO 0.19 -0.14 1.68 0.11 -0.54 0.00 0.00 174.62 175.92 1hk6 h LYS 79 N 5.68 0.07 -0.15 3.99 1.79 -1.52 -2.26 116.57 124.17 1hk6 h LYS 79 Ca -0.26 -0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.17 1hk6 h LYS 79 Cb 1.21 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.84 1hk6 h LYS 79 CO 0.47 0.05 -0.02 1.03 -1.08 0.00 0.00 179.45 179.90 1hk6 h SER 80 N 0.07 0.27 0.00 0.86 0.87 -1.97 -3.44 113.55 110.22 1hk6 h SER 80 Ca 0.23 -0.35 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 1hk6 h SER 80 Cb 0.35 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 1hk6 h SER 80 CO -0.42 0.56 0.00 0.61 -0.53 0.00 0.00 176.83 177.05 1hk6 n GLY 81 N -0.18 -0.14 0.00 5.77 0.00 -0.86 -4.71 105.19 105.07 1hk6 n GLY 81 Ca -0.05 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 3.72 0.16 3.48 -0.02 0.00 -1.19 -4.84 105.19 106.51 1hk6 n GLY 82 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.99 0.36 -0.07 1.61 2.20 -1.26 -4.59 119.74 117.00 1hk6 s LYS 83 Ca 0.00 0.85 -0.30 0.00 -0.36 0.00 0.00 55.97 56.16 1hk6 s LYS 83 Cb 0.00 0.45 -0.02 0.00 -1.51 0.00 0.00 37.83 36.75 1hk6 s LYS 83 CO 0.00 -0.11 1.00 0.20 -0.36 0.00 0.00 175.35 176.07 1hk6 s GLY 84 N 2.34 2.55 -0.03 5.54 0.00 0.15 -4.43 107.32 113.43 1hk6 s GLY 84 Ca -0.04 0.44 -0.04 0.00 0.00 0.00 0.00 44.72 45.07 1hk6 s GLY 84 CO -0.17 1.84 0.18 -0.51 0.00 0.00 0.00 173.10 174.44 1hk6 s THR 85 N 1.66 5.44 -0.08 0.90 -4.23 -0.32 -3.54 115.64 115.47 1hk6 s THR 85 Ca 0.50 -0.04 -0.03 0.00 -1.18 0.00 0.00 61.69 60.94 1hk6 s THR 85 Cb -0.19 -3.51 0.04 0.00 1.34 0.00 0.00 72.50 70.18 1hk6 s THR 85 CO 0.22 0.39 0.15 -0.94 -0.54 0.00 0.00 174.62 173.90 1hk6 s SER 86 N -1.71 0.40 0.14 3.99 1.04 -1.26 -1.76 113.70 114.54 1hk6 s SER 86 Ca 0.25 0.31 0.10 0.00 0.48 0.00 0.00 55.95 57.09 1hk6 s SER 86 Cb -0.13 0.23 -0.14 0.00 0.10 0.00 0.00 66.02 66.08 1hk6 s SER 86 CO 0.15 -0.20 1.26 0.71 0.98 0.00 0.00 173.24 176.14 1hk6 h THR 87 N 6.25 1.42 -3.61 2.02 1.35 -1.94 -3.43 112.91 114.97 1hk6 h THR 87 Ca -0.26 -3.05 -0.51 0.00 -0.55 0.00 0.00 66.41 62.04 1hk6 h THR 87 Cb 1.13 2.69 -0.03 0.00 -1.73 0.00 0.00 68.15 70.21 1hk6 h THR 87 CO 0.26 0.81 0.20 0.68 -0.25 0.00 0.00 175.52 177.22 1hk6 s VAL 88 N -2.77 4.38 -0.01 6.82 -7.23 -1.26 -5.07 120.40 115.25 1hk6 s VAL 88 Ca 0.01 1.64 0.04 0.00 -1.81 0.00 0.00 61.98 61.86 1hk6 s VAL 88 Cb 0.09 -4.06 -0.01 0.00 0.56 0.00 0.00 36.38 32.97 1hk6 s VAL 88 CO 0.80 0.38 -0.13 -0.94 -0.31 0.00 0.00 175.10 174.90 1hk6 s SER 89 N -1.36 1.56 -0.07 4.85 1.04 -1.26 -4.12 113.70 114.35 1hk6 s SER 89 Ca 0.40 -0.24 -0.24 0.00 0.48 0.00 0.00 55.95 56.35 1hk6 s SER 89 Cb -0.21 -0.22 -0.03 0.00 0.10 0.00 0.00 66.02 65.66 1hk6 s SER 89 CO 0.25 0.15 0.74 0.12 0.98 0.00 0.00 173.24 175.48 1hk6 s PHE 90 N -0.24 3.57 -0.36 5.02 5.36 -1.15 -5.01 117.98 125.17 1hk6 s PHE 90 Ca 0.04 1.29 -0.27 0.00 -0.96 0.00 0.00 56.93 57.03 1hk6 s PHE 90 Cb -0.06 -2.85 0.02 0.00 -0.34 0.00 0.00 43.02 39.78 1hk6 s PHE 90 CO -0.00 0.05 0.99 0.21 -1.46 0.00 0.00 175.22 175.01 1hk6 s LYS 91 N 0.93 3.90 0.04 10.12 2.20 -1.26 -4.71 119.74 130.96 1hk6 s LYS 91 Ca 0.39 0.73 -0.30 0.00 -0.36 0.00 0.00 55.97 56.43 1hk6 s LYS 91 Cb -0.18 -3.79 -0.04 0.00 -1.51 0.00 0.00 37.83 32.31 1hk6 s LYS 91 CO 0.19 -0.98 1.02 -1.17 -0.36 0.00 0.00 175.35 174.05 1hk6 s LEU 92 N 3.63 4.40 -0.08 5.43 2.96 -1.26 -3.61 118.68 130.15 1hk6 s LEU 92 Ca 0.41 1.76 -0.07 0.00 -0.22 0.00 0.00 54.13 56.01 1hk6 s LEU 92 Cb -0.11 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 1hk6 s LEU 92 CO 0.19 -0.26 0.20 -0.76 -1.32 0.00 0.00 176.35 174.40 1hk6 s LEU 93 N 0.78 4.40 0.07 -0.68 1.43 -1.08 -4.94 118.68 118.66 1hk6 s LEU 93 Ca 0.52 0.53 -0.31 0.00 -1.03 0.00 0.00 54.13 53.85 1hk6 s LEU 93 Cb -0.23 -2.27 -0.09 0.00 0.03 0.00 0.00 46.19 43.62 1hk6 s LEU 93 CO 0.29 0.36 1.81 -0.54 0.23 0.00 0.00 176.35 178.50 1hk6 s LYS 94 N -1.23 4.16 0.15 1.70 1.02 -1.26 -3.98 119.74 120.29 1hk6 s LYS 94 Ca 0.19 2.51 -0.30 0.00 0.02 0.00 0.00 55.97 58.39 1hk6 s LYS 94 Cb -0.13 -3.78 -0.07 0.00 -0.52 0.00 0.00 37.83 33.33 1hk6 s LYS 94 CO 0.08 -0.85 1.17 -1.25 -0.92 0.00 0.00 175.35 173.58 1hk6 s PRO 95 N 3.30 4.51 -1.06 -1.68 0.04 -1.26 -4.90 135.00 133.95 1hk6 s PRO 95 Ca 0.81 1.80 -0.23 0.00 0.04 0.00 0.00 61.00 63.42 1hk6 s PRO 95 Cb -0.43 -3.28 -0.12 0.00 0.04 0.00 0.00 34.50 30.72 1hk6 s PRO 95 CO 0.36 -0.08 1.93 0.39 0.04 0.00 0.00 177.00 179.64 1hk6 n GLU 96 N 2.81 1.49 0.00 4.56 1.02 -1.26 -5.13 120.64 124.12 1hk6 n GLU 96 Ca 0.05 -2.27 0.03 0.00 -0.02 0.00 0.00 57.16 54.95 1hk6 n GLU 96 Cb 0.46 -3.52 0.19 0.00 -0.02 0.00 0.00 31.44 28.54 1hk6 n GLU 96 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94