#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 2.54 -1.82 1.57 2.00 -1.26 -4.89 117.12 115.27 1hk6 n MET 4 Ca 0.00 0.91 -0.42 0.00 0.00 0.00 0.00 57.70 58.19 1hk6 n MET 4 Cb 0.00 -2.69 -0.03 0.00 0.00 0.00 0.00 33.22 30.50 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 0.19 4.17 0.28 0.03 0.52 -1.26 -4.96 118.95 117.91 1hk6 s ARG 5 Ca 0.70 2.45 -0.29 0.00 -0.52 0.00 0.00 55.73 58.07 1hk6 s ARG 5 Cb -0.55 -3.78 -0.09 0.00 0.52 0.00 0.00 34.95 31.04 1hk6 s ARG 5 CO 0.42 -0.83 1.04 1.14 0.02 0.00 0.00 175.30 177.09 1hk6 s GLN 6 N 3.29 4.68 0.51 3.54 -2.07 -1.26 -4.94 119.66 123.41 1hk6 s GLN 6 Ca 0.79 1.67 -0.23 0.00 -1.82 0.00 0.00 55.36 55.77 1hk6 s GLN 6 Cb -0.41 -3.17 -0.06 0.00 -1.09 0.00 0.00 33.01 28.28 1hk6 s GLN 6 CO 0.35 0.29 1.40 -0.35 -1.32 0.00 0.00 175.29 175.67 1hk6 n PRO 7 N 1.19 1.95 -1.66 9.60 -0.04 -1.26 -4.85 135.00 139.92 1hk6 n PRO 7 Ca -0.01 0.70 -0.53 0.00 -0.04 0.00 0.00 63.50 63.63 1hk6 n PRO 7 Cb 0.46 -2.62 -0.06 0.00 -0.04 0.00 0.00 33.50 31.24 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 -0.69 1.57 -3.72 0.54 -0.02 -1.25 -4.86 135.00 126.57 1hk6 n PRO 8 Ca 0.08 0.56 -0.35 0.00 -2.02 0.00 0.00 63.50 61.77 1hk6 n PRO 8 Cb 0.43 -2.39 -0.08 0.00 -0.02 0.00 0.00 33.50 31.45 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 4.38 4.24 -0.07 2.45 2.96 -0.44 -2.34 118.68 129.87 1hk6 s LEU 9 Ca 0.98 0.30 0.04 0.00 -0.22 0.00 0.00 54.13 55.23 1hk6 s LEU 9 Cb -0.88 -2.13 -0.02 0.00 0.50 0.00 0.00 46.19 43.66 1hk6 s LEU 9 CO 0.58 0.20 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.93 1hk6 s VAL 10 N 0.20 2.63 -0.36 1.68 1.01 -0.61 -0.29 120.40 124.66 1hk6 s VAL 10 Ca 0.10 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.28 1hk6 s VAL 10 Cb -0.11 -2.02 0.24 0.00 0.00 0.00 0.00 36.38 34.49 1hk6 s VAL 10 CO -0.00 0.57 1.22 1.07 0.00 0.00 0.00 175.10 177.95 1hk6 n THR 11 N 2.84 0.00 -3.61 3.92 5.66 -0.97 -2.68 114.28 119.43 1hk6 n THR 11 Ca -0.17 -1.06 -0.10 0.00 -3.05 0.00 0.00 64.05 59.67 1hk6 n THR 11 Cb 0.52 0.90 -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 -0.68 -0.21 -0.28 1.09 0.00 -1.11 -4.90 107.32 101.23 1hk6 s GLY 12 Ca 0.14 2.42 -0.18 0.00 0.00 0.00 0.00 44.72 47.11 1hk6 s GLY 12 CO -0.07 1.55 0.74 -1.50 0.00 0.00 0.00 173.10 173.82 1hk6 s ILE 13 N -0.24 0.00 0.04 0.90 2.07 -1.26 -3.12 121.20 119.59 1hk6 s ILE 13 Ca 0.01 0.00 -0.33 0.00 -1.41 0.00 0.00 60.65 58.92 1hk6 s ILE 13 Cb -0.03 -1.00 -0.18 0.00 0.13 0.00 0.00 42.46 41.37 1hk6 s ILE 13 CO -0.03 0.00 1.38 -1.28 -1.91 0.00 0.00 174.94 173.10 1hk6 h SER 14 N 6.51 -1.00 -0.03 4.50 0.87 -1.96 -3.45 113.55 118.99 1hk6 h SER 14 Ca -0.30 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 1hk6 h SER 14 Cb 1.21 0.26 0.00 0.00 -0.44 0.00 0.00 62.40 63.43 1hk6 h SER 14 CO 0.15 -0.66 0.00 -0.81 -0.53 0.00 0.00 176.83 174.98 1hk6 n PRO 15 N -5.49 0.99 -0.22 2.24 -0.04 -1.26 -5.05 135.00 126.16 1hk6 n PRO 15 Ca -0.15 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1hk6 n PRO 15 Cb 0.47 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.92 1hk6 n PRO 15 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1hk6 n ASN 16 N -0.04 -0.04 0.00 3.54 0.23 -1.26 -5.10 115.26 112.59 1hk6 n ASN 16 Ca 0.00 -0.37 0.00 0.00 -0.53 0.00 0.00 54.58 53.68 1hk6 n ASN 16 Cb 0.00 0.01 0.00 0.00 -2.08 0.00 0.00 39.78 37.71 1hk6 n ASN 16 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1hk6 n GLU 17 N 0.00 0.00 0.00 -3.83 0.28 -1.26 -4.50 120.64 111.33 1hk6 n GLU 17 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.99 1hk6 n GLU 17 Cb 0.19 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.06 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 2.92 3.47 -1.84 0.00 -1.14 -4.99 105.19 103.61 1hk6 n GLY 18 Ca 0.00 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.80 0.12 -0.34 -0.61 -5.35 -1.25 -2.41 119.36 108.73 1hk6 n ILE 19 Ca 0.00 -0.16 0.11 0.00 -0.27 0.00 0.00 62.75 62.43 1hk6 n ILE 19 Cb 0.00 -0.71 0.29 0.00 -1.74 0.00 0.00 39.64 37.49 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 -1.56 0.70 0.00 6.28 0.11 -1.79 0.15 132.00 135.89 1hk6 h PRO 20 Ca -0.43 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1hk6 h PRO 20 Cb 1.28 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1hk6 h PRO 20 CO 0.36 0.46 0.00 0.91 -0.21 0.00 0.00 178.00 179.52 1hk6 n TRP 21 N -4.80 0.00 -2.08 0.65 7.02 -1.26 -2.50 117.44 114.47 1hk6 n TRP 21 Ca 0.22 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.28 1hk6 n TRP 21 Cb 0.54 -0.27 -0.03 0.00 -2.42 0.00 0.00 31.31 29.13 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 -2.54 2.94 0.28 -0.99 2.01 0.53 -4.88 115.64 112.99 1hk6 s THR 22 Ca 0.14 0.72 -0.29 0.00 0.31 0.00 0.00 61.69 62.57 1hk6 s THR 22 Cb 0.10 -3.46 -0.10 0.00 0.01 0.00 0.00 72.50 69.05 1hk6 s THR 22 CO 0.22 0.08 1.23 -0.75 -0.69 0.00 0.00 174.62 174.71 1hk6 s LYS 23 N 0.47 4.47 -0.10 4.92 2.47 -1.26 -3.89 119.74 126.82 1hk6 s LYS 23 Ca 0.63 2.02 -0.05 0.00 -1.56 0.00 0.00 55.97 57.02 1hk6 s LYS 23 Cb -0.40 -3.14 0.05 0.00 -1.46 0.00 0.00 37.83 32.87 1hk6 s LYS 23 CO 0.36 -0.05 0.23 0.14 0.16 0.00 0.00 175.35 176.18 1hk6 s VAL 24 N -0.87 -0.09 -0.23 4.02 -7.23 -1.25 -4.88 120.40 109.87 1hk6 s VAL 24 Ca 0.49 0.18 -0.23 0.00 -1.81 0.00 0.00 61.98 60.61 1hk6 s VAL 24 Cb -0.36 -0.36 -0.01 0.00 0.56 0.00 0.00 36.38 36.21 1hk6 s VAL 24 CO 0.45 0.07 0.73 -0.89 -0.31 0.00 0.00 175.10 175.16 1hk6 s THR 25 N 1.41 4.92 0.23 5.32 2.01 -1.26 -3.83 115.64 124.44 1hk6 s THR 25 Ca -0.08 1.37 -0.30 0.00 0.31 0.00 0.00 61.69 62.99 1hk6 s THR 25 Cb -0.11 -4.03 -0.09 0.00 0.01 0.00 0.00 72.50 68.28 1hk6 s THR 25 CO -0.08 0.00 0.95 -0.63 -0.69 0.00 0.00 174.62 174.17 1hk6 s ILE 26 N 2.50 4.08 -0.02 1.82 1.01 -1.00 -3.98 121.20 125.61 1hk6 s ILE 26 Ca 0.31 2.07 0.01 0.00 0.00 0.00 0.00 60.65 63.04 1hk6 s ILE 26 Cb -0.16 -4.32 0.01 0.00 0.01 0.00 0.00 42.46 38.01 1hk6 s ILE 26 CO 0.09 0.48 -0.02 -0.13 0.00 0.00 0.00 174.94 175.36 1hk6 s ARG 27 N -1.10 0.33 0.00 2.79 1.81 -1.18 -3.14 118.95 118.46 1hk6 s ARG 27 Ca 0.42 -0.03 0.00 0.00 -1.72 0.00 0.00 55.73 54.39 1hk6 s ARG 27 Cb -0.26 -0.40 0.00 0.00 -0.45 0.00 0.00 34.95 33.84 1hk6 s ARG 27 CO 0.32 -0.03 0.00 0.41 -0.68 0.00 0.00 175.30 175.32 1hk6 n GLY 28 N 3.58 1.38 3.31 -3.53 0.00 -1.22 -2.29 105.19 106.42 1hk6 n GLY 28 Ca -0.20 0.12 -0.11 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 4.63 0.46 -1.29 1.61 0.41 0.61 -4.77 118.70 120.35 1hk6 s GLU 29 Ca 0.00 0.73 -0.07 0.00 -0.41 0.00 0.00 54.97 55.22 1hk6 s GLU 29 Cb 0.00 0.10 0.01 0.00 -1.78 0.00 0.00 34.13 32.46 1hk6 s GLU 29 CO 0.00 -0.11 1.12 0.09 -0.49 0.00 0.00 175.26 175.86 1hk6 n ASN 30 N 3.64 -5.42 -2.23 -0.19 3.02 -0.97 -1.32 115.26 111.78 1hk6 n ASN 30 Ca -0.19 -0.54 -0.18 0.00 -0.03 0.00 0.00 54.58 53.64 1hk6 n ASN 30 Cb 0.56 -4.91 -0.12 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 -4.71 5.82 -0.68 3.41 4.32 -1.17 -3.76 117.00 120.22 1hk6 n LEU 31 Ca -0.05 -3.55 0.00 0.00 -0.02 0.00 0.00 56.01 52.39 1hk6 n LEU 31 Cb 0.58 -1.36 0.00 0.00 -1.62 0.00 0.00 43.42 41.02 1hk6 n LEU 31 CO 0.62 1.73 -0.14 0.61 -1.22 0.00 0.00 177.39 178.99 1hk6 n GLY 32 N 1.96 -3.94 2.32 -0.72 0.00 -1.26 -4.59 105.19 98.96 1hk6 n GLY 32 Ca 0.46 -0.75 -0.29 0.00 0.00 0.00 0.00 46.02 45.45 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 0.05 3.31 0.00 2.61 -2.24 -1.26 -4.09 114.28 112.66 1hk6 n THR 33 Ca 0.00 -2.77 0.00 0.00 -2.27 0.00 0.00 64.05 59.01 1hk6 n THR 33 Cb 0.00 -1.31 0.00 0.00 -2.10 0.00 0.00 70.33 66.92 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 -0.12 1.93 0.31 3.38 0.00 -1.26 -4.99 105.19 104.43 1hk6 n GLY 34 Ca 0.49 -0.10 -0.02 0.00 0.00 0.00 0.00 46.02 46.39 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 0.94 -0.71 1.61 0.13 -1.95 -2.17 132.00 129.84 1hk6 h PRO 35 Ca 0.00 -0.06 -0.04 0.00 -0.87 0.00 0.00 66.00 65.03 1hk6 h PRO 35 Cb 0.00 -0.21 -0.03 0.00 0.13 0.00 0.00 31.00 30.89 1hk6 h PRO 35 CO 0.00 0.62 0.28 1.79 -0.23 0.00 0.00 178.00 180.46 1hk6 h THR 36 N 0.96 1.24 -0.83 1.56 1.35 -2.00 -2.51 112.91 112.69 1hk6 h THR 36 Ca 0.33 -0.76 0.09 0.00 -0.55 0.00 0.00 66.41 65.51 1hk6 h THR 36 Cb 0.06 0.39 -0.06 0.00 -1.73 0.00 0.00 68.15 66.81 1hk6 h THR 36 CO -0.13 0.31 0.54 0.44 -0.25 0.00 0.00 175.52 176.43 1hk6 h ASP 37 N 1.03 0.74 0.00 5.36 5.19 -1.78 -3.16 116.42 123.81 1hk6 h ASP 37 Ca 0.24 0.01 -0.56 0.00 -0.62 0.00 0.00 57.03 56.10 1hk6 h ASP 37 Cb 0.20 -0.14 0.02 0.00 0.18 0.00 0.00 39.33 39.58 1hk6 h ASP 37 CO -0.02 0.45 3.08 -0.11 -3.12 0.00 0.00 179.24 179.53 1hk6 n LEU 38 N -4.51 6.44 -0.12 1.55 0.00 -0.95 -2.32 117.00 117.10 1hk6 n LEU 38 Ca 0.13 -3.59 -0.13 0.00 0.00 0.00 0.00 56.01 52.43 1hk6 n LEU 38 Cb 0.28 -1.34 -0.03 0.00 0.00 0.00 0.00 43.42 42.34 1hk6 n LEU 38 CO 0.32 1.07 0.60 0.16 0.00 0.00 0.00 177.39 179.53 1hk6 h ILE 39 N 3.51 1.28 -3.59 1.96 3.07 -1.69 -3.44 117.51 118.61 1hk6 h ILE 39 Ca 0.63 -1.45 -0.68 0.00 1.55 0.00 0.00 64.86 64.91 1hk6 h ILE 39 Cb 0.34 1.39 -0.20 0.00 -0.27 0.00 0.00 36.82 38.08 1hk6 h ILE 39 CO 1.70 0.48 -0.69 -0.83 -1.05 0.00 0.00 178.15 177.76 1hk6 s GLY 40 N -3.72 1.69 -0.14 0.16 0.00 -1.26 -5.04 107.32 99.01 1hk6 s GLY 40 Ca -0.12 -0.88 -0.07 0.00 0.00 0.00 0.00 44.72 43.65 1hk6 s GLY 40 CO 0.85 -0.55 0.33 -2.27 0.00 0.00 0.00 173.10 171.47 1hk6 s LEU 41 N -0.56 0.09 -0.17 0.66 1.98 -1.26 -1.37 118.68 118.06 1hk6 s LEU 41 Ca 0.08 0.71 -0.14 0.00 -2.89 0.00 0.00 54.13 51.90 1hk6 s LEU 41 Cb -0.12 1.04 0.05 0.00 0.66 0.00 0.00 46.19 47.81 1hk6 s LEU 41 CO 0.02 -0.19 0.43 0.42 -1.89 0.00 0.00 176.35 175.15 1hk6 s THR 42 N 1.45 -0.00 -0.09 3.68 -4.23 -1.18 -3.06 115.64 112.21 1hk6 s THR 42 Ca -0.08 0.01 0.02 0.00 -1.18 0.00 0.00 61.69 60.46 1hk6 s THR 42 Cb -0.10 -0.61 0.01 0.00 1.34 0.00 0.00 72.50 73.15 1hk6 s THR 42 CO -0.11 0.01 -0.13 -0.63 -0.54 0.00 0.00 174.62 173.22 1hk6 s ILE 43 N 0.42 1.26 -1.50 2.99 1.01 -0.01 -2.79 121.20 122.57 1hk6 s ILE 43 Ca -0.02 -0.52 -0.06 0.00 0.00 0.00 0.00 60.65 60.05 1hk6 s ILE 43 Cb -0.04 -1.16 0.02 0.00 0.01 0.00 0.00 42.46 41.29 1hk6 s ILE 43 CO -0.02 0.39 0.68 0.00 0.00 0.00 0.00 174.94 176.00 1hk6 n GLY 45 N -1.55 2.30 3.73 0.00 0.00 -1.26 -2.59 105.19 105.82 1hk6 n GLY 45 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.28 3.62 0.21 1.61 5.65 -0.32 -5.00 115.29 120.78 1hk6 s HIS 46 Ca 0.00 1.61 -0.30 0.00 0.25 0.00 0.00 55.06 56.63 1hk6 s HIS 46 Cb 0.00 -3.24 -0.08 0.00 -1.18 0.00 0.00 32.58 28.07 1hk6 s HIS 46 CO 0.00 -0.50 1.17 1.21 -0.65 0.00 0.00 174.74 175.97 1hk6 s ASN 47 N 0.02 7.13 -0.32 9.88 3.04 -1.26 -0.83 114.94 132.59 1hk6 s ASN 47 Ca 0.50 2.23 0.16 0.00 0.04 0.00 0.00 52.86 55.79 1hk6 s ASN 47 Cb -0.28 -2.61 0.44 0.00 -1.54 0.00 0.00 41.25 37.26 1hk6 s ASN 47 CO 0.33 -0.31 1.35 0.00 -3.04 0.00 0.00 177.10 175.43 1hk6 h LEU 49 N 1.75 0.68 -0.91 0.00 5.85 -1.92 -2.25 115.31 118.51 1hk6 h LEU 49 Ca -0.31 -0.55 0.19 0.00 0.84 0.00 0.00 57.88 58.05 1hk6 h LEU 49 Cb 1.28 -0.19 -0.11 0.00 0.37 0.00 0.00 40.66 42.01 1hk6 h LEU 49 CO -0.01 1.10 0.47 0.17 -0.34 0.00 0.00 178.44 179.82 1hk6 h LEU 50 N 0.28 0.52 0.17 2.25 -0.00 -1.93 -1.35 115.31 115.24 1hk6 h LEU 50 Ca 0.01 0.12 -0.30 0.00 -0.00 0.00 0.00 57.88 57.71 1hk6 h LEU 50 Cb 0.98 0.04 0.01 0.00 -0.00 0.00 0.00 40.66 41.70 1hk6 h LEU 50 CO 0.09 0.15 -1.34 0.71 -0.00 0.00 0.00 178.44 178.05 1hk6 h THR 51 N 0.57 1.41 -2.91 0.15 1.35 -1.95 -3.46 112.91 108.08 1hk6 h THR 51 Ca 0.53 -2.94 -0.55 0.00 -0.55 0.00 0.00 66.41 62.90 1hk6 h THR 51 Cb 0.88 2.97 0.08 0.00 -1.73 0.00 0.00 68.15 70.35 1hk6 h THR 51 CO -0.43 0.87 0.82 0.00 -0.25 0.00 0.00 175.52 176.53 1hk6 n ALA 52 N -2.60 2.08 -3.32 6.62 0.00 -0.51 -4.68 120.51 118.10 1hk6 n ALA 52 Ca -0.12 0.40 -0.26 0.00 0.00 0.00 0.00 53.44 53.46 1hk6 n ALA 52 Cb 1.05 -2.41 -0.17 0.00 0.00 0.00 0.00 19.45 17.93 1hk6 n ALA 52 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1hk6 s GLU 53 N -0.06 1.93 0.45 0.00 2.12 0.24 -4.93 118.70 118.44 1hk6 s GLU 53 Ca 0.68 -0.52 -0.23 0.00 0.36 0.00 0.00 54.97 55.27 1hk6 s GLU 53 Cb -0.56 -1.57 -0.08 0.00 0.26 0.00 0.00 34.13 32.19 1hk6 s GLU 53 CO 0.45 0.09 1.15 -0.46 -0.54 0.00 0.00 175.26 175.94 1hk6 s TRP 54 N 0.50 2.93 0.06 5.30 -0.00 -1.26 -2.69 118.94 123.78 1hk6 s TRP 54 Ca -0.13 1.55 0.00 0.00 -0.00 0.00 0.00 56.10 57.52 1hk6 s TRP 54 Cb -0.15 -3.33 0.00 0.00 -0.00 0.00 0.00 33.47 29.98 1hk6 s TRP 54 CO 0.04 -1.37 0.00 -1.33 -0.00 0.00 0.00 176.95 174.30 1hk6 n MET 55 N -0.46 0.00 -1.75 5.86 2.81 -1.22 -4.93 117.12 117.43 1hk6 n MET 55 Ca 0.07 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.94 1hk6 n MET 55 Cb 0.48 -0.09 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 0.43 1.51 0.00 0.00 175.97 177.91 1hk6 n SER 56 N -2.81 -0.60 -1.60 7.83 7.64 -1.13 -4.98 113.62 117.97 1hk6 n SER 56 Ca 0.00 -1.41 -0.03 0.00 1.01 0.00 0.00 58.87 58.44 1hk6 n SER 56 Cb 0.07 1.00 -0.03 0.00 -1.01 0.00 0.00 64.21 64.24 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 -2.36 4.45 0.00 -0.43 0.00 -1.26 -3.90 120.51 117.01 1hk6 n ALA 57 Ca -0.04 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1hk6 n ALA 57 Cb 0.16 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.37 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 1.61 0.00 -4.77 0.00 2.88 -1.26 -2.29 113.62 109.78 1hk6 n SER 58 Ca 0.08 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.23 1hk6 n SER 58 Cb 0.57 0.08 -0.06 0.00 -0.75 0.00 0.00 64.21 64.06 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 -1.71 4.35 -0.19 -1.46 2.20 -1.25 -3.44 119.74 118.23 1hk6 s LYS 59 Ca 0.00 0.83 -0.05 0.00 -0.36 0.00 0.00 55.97 56.39 1hk6 s LYS 59 Cb 0.00 -3.32 0.10 0.00 -1.51 0.00 0.00 37.83 33.10 1hk6 s LYS 59 CO 0.00 0.42 0.37 0.42 -0.36 0.00 0.00 175.35 176.20 1hk6 s ILE 60 N -0.41 -0.58 -0.16 5.43 1.01 -1.19 -2.84 121.20 122.46 1hk6 s ILE 60 Ca 0.32 0.12 -0.25 0.00 0.00 0.00 0.00 60.65 60.85 1hk6 s ILE 60 Cb -0.19 -0.65 -0.02 0.00 0.01 0.00 0.00 42.46 41.61 1hk6 s ILE 60 CO 0.19 0.02 0.80 -0.69 0.00 0.00 0.00 174.94 175.27 1hk6 s VAL 61 N 2.54 4.91 -0.25 2.92 1.01 -1.09 -2.36 120.40 128.08 1hk6 s VAL 61 Ca 0.03 1.57 -0.27 0.00 0.00 0.00 0.00 61.98 63.31 1hk6 s VAL 61 Cb -0.13 -4.11 0.14 0.00 0.00 0.00 0.00 36.38 32.28 1hk6 s VAL 61 CO -0.13 0.05 1.12 0.00 0.00 0.00 0.00 175.10 176.15 1hk6 s ARG 63 N -0.31 4.50 0.16 0.00 0.52 -1.26 -3.82 118.95 118.74 1hk6 s ARG 63 Ca 0.03 1.09 -0.32 0.00 -0.52 0.00 0.00 55.73 56.01 1hk6 s ARG 63 Cb -0.03 -3.40 -0.12 0.00 0.52 0.00 0.00 34.95 31.92 1hk6 s ARG 63 CO -0.06 0.16 1.77 1.33 0.02 0.00 0.00 175.30 178.53 1hk6 n VAL 64 N 3.26 0.18 -1.75 3.52 0.24 -1.04 -4.94 118.33 117.79 1hk6 n VAL 64 Ca -0.00 -0.03 -0.33 0.00 -2.04 0.00 0.00 64.34 61.94 1hk6 n VAL 64 Cb 0.51 -2.02 0.05 0.00 -1.47 0.00 0.00 33.84 30.90 1hk6 n VAL 64 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1hk6 s GLY 65 N 1.92 2.10 0.41 7.63 0.00 -1.23 -4.19 107.32 113.96 1hk6 s GLY 65 Ca 0.79 0.49 -0.24 0.00 0.00 0.00 0.00 44.72 45.76 1hk6 s GLY 65 CO 0.35 0.84 0.94 0.61 0.00 0.00 0.00 173.10 175.84 1hk6 n GLN 66 N -2.47 1.22 -1.76 2.90 10.64 -1.26 -4.53 117.38 122.12 1hk6 n GLN 66 Ca 0.10 0.44 -0.39 0.00 -1.83 0.00 0.00 57.00 55.31 1hk6 n GLN 66 Cb 0.52 -1.94 0.03 0.00 -0.86 0.00 0.00 30.24 27.99 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 -1.28 3.02 0.00 2.61 0.00 -1.26 -4.11 121.76 120.73 1hk6 s ALA 67 Ca 0.63 1.42 0.00 0.00 0.00 0.00 0.00 51.96 54.01 1hk6 s ALA 67 Cb -0.58 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 18.95 1hk6 s ALA 67 CO 0.57 -1.33 0.00 1.63 0.00 0.00 0.00 175.76 176.64 1hk6 n LYS 68 N -0.65 0.00 0.00 0.00 5.02 -1.07 -4.97 118.16 116.49 1hk6 n LYS 68 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 1hk6 n LYS 68 Cb 0.43 -0.19 0.00 0.00 -0.02 0.00 0.00 35.03 35.26 1hk6 n LYS 68 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1hk6 n ASN 69 N -1.89 0.00 -2.23 4.39 4.13 -1.25 -5.05 115.26 113.36 1hk6 n ASN 69 Ca 0.00 0.00 -0.02 0.00 1.68 0.00 0.00 54.58 56.24 1hk6 n ASN 69 Cb 0.00 0.00 0.06 0.00 -1.54 0.00 0.00 39.78 38.30 1hk6 n ASN 69 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 1hk6 n ASP 70 N 0.00 -0.91 0.00 6.41 5.75 -1.26 -5.00 116.55 121.54 1hk6 n ASP 70 Ca 0.00 -1.69 0.00 0.00 -0.01 0.00 0.00 54.79 53.09 1hk6 n ASP 70 Cb 0.00 0.52 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 1hk6 n ASP 70 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1hk6 n LYS 71 N -0.69 0.00 -0.35 0.11 3.00 -1.26 -5.07 118.16 113.90 1hk6 n LYS 71 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.20 1hk6 n LYS 71 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.72 1hk6 n LYS 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1hk6 n GLY 72 N -1.35 0.75 3.71 3.14 0.00 -1.26 -4.44 105.19 105.74 1hk6 n GLY 72 Ca 0.00 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.75 7.14 -0.89 1.61 1.01 -1.26 -3.09 116.67 119.44 1hk6 s ASP 73 Ca 0.00 1.92 -0.21 0.00 0.71 0.00 0.00 52.55 54.98 1hk6 s ASP 73 Cb 0.00 -2.58 0.10 0.00 1.01 0.00 0.00 42.92 41.45 1hk6 s ASP 73 CO 0.00 -0.44 1.18 -0.63 0.21 0.00 0.00 175.17 175.49 1hk6 s ILE 74 N 1.15 4.41 0.12 0.77 1.01 -1.26 -3.67 121.20 123.73 1hk6 s ILE 74 Ca 0.57 -1.06 -0.23 0.00 0.00 0.00 0.00 60.65 59.94 1hk6 s ILE 74 Cb -0.27 -4.83 -0.07 0.00 0.01 0.00 0.00 42.46 37.29 1hk6 s ILE 74 CO 0.28 -1.61 0.68 -0.63 0.00 0.00 0.00 174.94 173.66 1hk6 s ILE 75 N 3.63 4.55 -0.13 2.92 -1.09 -1.12 -4.37 121.20 125.59 1hk6 s ILE 75 Ca 0.34 1.48 -0.04 0.00 -2.23 0.00 0.00 60.65 60.20 1hk6 s ILE 75 Cb -0.06 -4.03 0.05 0.00 -1.58 0.00 0.00 42.46 36.84 1hk6 s ILE 75 CO -0.05 0.53 0.08 -0.69 -1.23 0.00 0.00 174.94 173.58 1hk6 s VAL 76 N -1.09 -0.05 0.29 2.92 1.01 -1.23 -3.11 120.40 119.13 1hk6 s VAL 76 Ca 0.33 0.01 -0.24 0.00 0.00 0.00 0.00 61.98 62.08 1hk6 s VAL 76 Cb -0.21 -0.46 -0.09 0.00 0.00 0.00 0.00 36.38 35.61 1hk6 s VAL 76 CO 0.23 -0.12 0.87 -0.89 0.00 0.00 0.00 175.10 175.19 1hk6 s THR 77 N 2.13 4.32 -0.03 3.92 2.01 -0.47 0.55 115.64 128.07 1hk6 s THR 77 Ca 0.03 1.66 -0.01 0.00 0.31 0.00 0.00 61.69 63.67 1hk6 s THR 77 Cb -0.15 -3.97 0.02 0.00 0.01 0.00 0.00 72.50 68.41 1hk6 s THR 77 CO -0.07 0.17 0.06 0.42 -0.69 0.00 0.00 174.62 174.52 1hk6 s THR 78 N -1.57 -0.03 0.18 -0.82 -4.23 -0.55 -4.01 115.64 104.60 1hk6 s THR 78 Ca 0.48 0.10 -0.14 0.00 -1.18 0.00 0.00 61.69 60.95 1hk6 s THR 78 Cb -0.18 -0.11 0.07 0.00 1.34 0.00 0.00 72.50 73.62 1hk6 s THR 78 CO 0.23 0.04 1.83 0.11 -0.54 0.00 0.00 174.62 176.29 1hk6 h LYS 79 N 6.68 0.64 -0.65 3.99 1.57 -1.80 -2.31 116.57 124.70 1hk6 h LYS 79 Ca -0.35 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.38 1hk6 h LYS 79 Cb 1.17 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 33.30 1hk6 h LYS 79 CO 0.47 0.42 0.35 0.77 -0.57 0.00 0.00 179.45 180.90 1hk6 h SER 80 N 0.66 0.81 0.00 0.86 0.02 -1.97 -3.44 113.55 110.49 1hk6 h SER 80 Ca 0.20 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1hk6 h SER 80 Cb -0.02 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.31 1hk6 h SER 80 CO -0.07 0.67 0.00 0.61 -1.14 0.00 0.00 176.83 176.90 1hk6 n GLY 81 N -1.06 1.37 0.00 -3.77 0.00 -0.89 -5.00 105.19 95.84 1hk6 n GLY 81 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 3.76 3.72 -0.02 0.00 -1.06 -4.63 105.19 111.96 1hk6 n GLY 82 Ca 0.00 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 1hk6 n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hk6 s LYS 83 N 4.27 4.37 0.13 1.61 1.02 -1.26 -1.48 119.74 128.40 1hk6 s LYS 83 Ca 0.00 1.98 -0.27 0.00 0.02 0.00 0.00 55.97 57.70 1hk6 s LYS 83 Cb 0.00 -3.26 -0.07 0.00 -0.52 0.00 0.00 37.83 33.98 1hk6 s LYS 83 CO 0.00 -0.34 0.85 0.20 -0.92 0.00 0.00 175.35 175.14 1hk6 s GLY 84 N 0.92 2.94 -0.10 -3.33 0.00 0.19 -4.71 107.32 103.22 1hk6 s GLY 84 Ca 0.61 0.44 -0.08 0.00 0.00 0.00 0.00 44.72 45.69 1hk6 s GLY 84 CO 0.32 1.16 0.18 -0.51 0.00 0.00 0.00 173.10 174.25 1hk6 s THR 85 N -0.49 5.43 -0.07 0.90 -4.23 -0.99 -3.56 115.64 112.63 1hk6 s THR 85 Ca 0.41 0.30 0.02 0.00 -1.18 0.00 0.00 61.69 61.24 1hk6 s THR 85 Cb -0.23 -3.45 0.02 0.00 1.34 0.00 0.00 72.50 70.17 1hk6 s THR 85 CO 0.27 0.61 -0.11 -0.55 -0.54 0.00 0.00 174.62 174.30 1hk6 s SER 86 N -1.06 1.75 0.13 3.99 0.15 -1.26 -1.58 113.70 115.82 1hk6 s SER 86 Ca 0.17 -0.28 -0.04 0.00 0.70 0.00 0.00 55.95 56.49 1hk6 s SER 86 Cb -0.13 -0.79 -0.08 0.00 -1.71 0.00 0.00 66.02 63.31 1hk6 s SER 86 CO 0.06 0.01 1.32 0.71 1.20 0.00 0.00 173.24 176.54 1hk6 h THR 87 N 6.01 1.39 -3.79 6.45 1.35 -1.92 -3.44 112.91 118.96 1hk6 h THR 87 Ca -0.31 -2.37 -0.50 0.00 -0.55 0.00 0.00 66.41 62.68 1hk6 h THR 87 Cb 1.18 2.35 0.04 0.00 -1.73 0.00 0.00 68.15 69.98 1hk6 h THR 87 CO 0.47 0.71 0.19 0.68 -0.25 0.00 0.00 175.52 177.32 1hk6 s VAL 88 N -3.35 4.84 -0.09 6.82 -7.23 -1.26 -5.10 120.40 115.03 1hk6 s VAL 88 Ca -0.06 0.42 -0.07 0.00 -1.81 0.00 0.00 61.98 60.46 1hk6 s VAL 88 Cb 0.09 -3.85 0.03 0.00 0.56 0.00 0.00 36.38 33.21 1hk6 s VAL 88 CO 0.87 -0.89 0.23 -0.44 -0.31 0.00 0.00 175.10 174.56 1hk6 s SER 89 N -4.02 -0.24 -0.08 4.85 0.01 -1.26 -4.45 113.70 108.51 1hk6 s SER 89 Ca 0.50 0.47 -0.24 0.00 1.31 0.00 0.00 55.95 57.99 1hk6 s SER 89 Cb -0.10 0.45 -0.03 0.00 0.21 0.00 0.00 66.02 66.54 1hk6 s SER 89 CO 0.46 -0.10 0.72 0.12 0.41 0.00 0.00 173.24 174.85 1hk6 s PHE 90 N 0.45 3.56 -0.29 2.43 5.36 -1.18 -4.98 117.98 123.32 1hk6 s PHE 90 Ca -0.03 1.26 -0.26 0.00 -0.96 0.00 0.00 56.93 56.94 1hk6 s PHE 90 Cb -0.04 -2.84 0.01 0.00 -0.34 0.00 0.00 43.02 39.80 1hk6 s PHE 90 CO -0.02 0.04 0.92 0.21 -1.46 0.00 0.00 175.22 174.90 1hk6 s LYS 91 N 1.00 4.08 -0.06 10.12 2.20 -1.26 -4.66 119.74 131.16 1hk6 s LYS 91 Ca 0.38 0.91 -0.27 0.00 -0.36 0.00 0.00 55.97 56.64 1hk6 s LYS 91 Cb -0.18 -3.70 -0.03 0.00 -1.51 0.00 0.00 37.83 32.41 1hk6 s LYS 91 CO 0.18 -0.71 0.86 -0.51 -0.36 0.00 0.00 175.35 174.81 1hk6 s LEU 92 N 3.17 4.31 -0.04 5.43 1.43 -1.26 -2.90 118.68 128.83 1hk6 s LEU 92 Ca 0.38 1.40 -0.05 0.00 -1.03 0.00 0.00 54.13 54.84 1hk6 s LEU 92 Cb -0.14 -3.34 -0.04 0.00 0.03 0.00 0.00 46.19 42.70 1hk6 s LEU 92 CO 0.11 -0.25 0.18 -0.76 0.23 0.00 0.00 176.35 175.86 1hk6 s LEU 93 N 1.23 4.38 0.35 1.79 1.43 -1.01 -4.91 118.68 121.94 1hk6 s LEU 93 Ca 0.44 0.41 -0.28 0.00 -1.03 0.00 0.00 54.13 53.67 1hk6 s LEU 93 Cb -0.19 -2.47 -0.12 0.00 0.03 0.00 0.00 46.19 43.44 1hk6 s LEU 93 CO 0.21 0.30 1.42 0.29 0.23 0.00 0.00 176.35 178.80 1hk6 n LYS 94 N 1.26 2.44 -1.61 1.70 5.02 -1.26 -3.80 118.16 121.90 1hk6 n LYS 94 Ca -0.13 0.86 -0.47 0.00 -2.02 0.00 0.00 58.31 56.54 1hk6 n LYS 94 Cb 0.53 -2.53 -0.03 0.00 -0.02 0.00 0.00 35.03 32.97 1hk6 n LYS 94 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1hk6 n PRO 95 N 0.79 1.50 -2.39 1.97 -0.02 -1.26 -4.82 135.00 130.77 1hk6 n PRO 95 Ca 0.04 0.53 -0.43 0.00 -2.02 0.00 0.00 63.50 61.63 1hk6 n PRO 95 Cb 0.37 -2.09 -0.02 0.00 -0.02 0.00 0.00 33.50 31.74 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 -0.43 4.14 0.00 -0.52 2.12 -1.26 -5.16 118.70 117.60 1hk6 s GLU 96 Ca 0.71 1.61 0.00 0.00 0.36 0.00 0.00 54.97 57.64 1hk6 s GLU 96 Cb -0.77 -3.81 0.00 0.00 0.26 0.00 0.00 34.13 29.81 1hk6 s GLU 96 CO 0.51 -0.83 0.00 1.17 -0.54 0.00 0.00 175.26 175.58