#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 4.26 0.23 -0.41 1.00 -1.26 -4.96 119.30 118.16 1hk6 s MET 4 Ca 0.00 2.24 -0.30 0.00 0.00 0.00 0.00 55.69 57.64 1hk6 s MET 4 Cb 0.00 -3.21 -0.09 0.00 0.00 0.00 0.00 34.83 31.53 1hk6 s MET 4 CO 0.00 -0.54 1.26 0.50 0.00 0.00 0.00 175.02 176.23 1hk6 s ARG 5 N 1.19 4.44 0.31 2.03 3.52 -1.26 -4.97 118.95 124.21 1hk6 s ARG 5 Ca 0.68 2.02 -0.29 0.00 -0.13 0.00 0.00 55.73 58.01 1hk6 s ARG 5 Cb -0.41 -3.18 -0.11 0.00 -1.56 0.00 0.00 34.95 29.69 1hk6 s ARG 5 CO 0.31 -0.14 1.56 -0.65 -0.81 0.00 0.00 175.30 175.57 1hk6 s GLN 6 N -0.67 4.12 0.36 5.12 -0.21 -1.26 -4.53 119.66 122.59 1hk6 s GLN 6 Ca 0.53 2.57 -0.28 0.00 0.02 0.00 0.00 55.36 58.20 1hk6 s GLN 6 Cb -0.36 -3.01 -0.11 0.00 1.00 0.00 0.00 33.01 30.53 1hk6 s GLN 6 CO 0.41 -0.60 1.45 -1.25 -2.12 0.00 0.00 175.29 173.18 1hk6 s PRO 7 N -0.91 4.16 0.05 2.91 0.04 -1.26 -4.91 135.00 135.09 1hk6 s PRO 7 Ca 0.60 2.49 -0.32 0.00 0.04 0.00 0.00 61.00 63.82 1hk6 s PRO 7 Cb -0.47 -2.99 -0.11 0.00 0.04 0.00 0.00 34.50 30.96 1hk6 s PRO 7 CO 0.52 -0.46 1.86 -0.35 0.04 0.00 0.00 177.00 178.60 1hk6 n PRO 8 N 0.65 2.60 -3.34 0.56 -0.04 -1.26 -4.71 135.00 129.46 1hk6 n PRO 8 Ca 0.01 0.95 -0.39 0.00 -0.04 0.00 0.00 63.50 64.03 1hk6 n PRO 8 Cb 0.40 -2.83 -0.08 0.00 -0.04 0.00 0.00 33.50 30.94 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 3.30 4.09 -0.10 1.53 1.98 -0.40 -2.15 118.68 126.92 1hk6 s LEU 9 Ca 0.86 0.45 -0.07 0.00 -2.89 0.00 0.00 54.13 52.47 1hk6 s LEU 9 Cb -0.54 -2.53 -0.04 0.00 0.66 0.00 0.00 46.19 43.74 1hk6 s LEU 9 CO 0.42 -0.17 0.16 -0.69 -1.89 0.00 0.00 176.35 174.18 1hk6 s VAL 10 N 1.85 5.48 -0.37 1.68 1.01 -0.58 -0.09 120.40 129.39 1hk6 s VAL 10 Ca 0.18 0.22 0.06 0.00 0.00 0.00 0.00 61.98 62.44 1hk6 s VAL 10 Cb -0.15 -3.43 0.26 0.00 0.00 0.00 0.00 36.38 33.06 1hk6 s VAL 10 CO 0.09 0.59 1.23 1.07 0.00 0.00 0.00 175.10 178.09 1hk6 n THR 11 N 1.88 0.00 -3.64 3.92 5.66 -1.00 -3.45 114.28 117.65 1hk6 n THR 11 Ca -0.19 -1.15 -0.06 0.00 -3.05 0.00 0.00 64.05 59.60 1hk6 n THR 11 Cb 0.55 0.86 -0.07 0.00 -1.55 0.00 0.00 70.33 70.12 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 -0.78 0.07 -0.28 1.09 0.00 -1.10 -4.88 107.32 101.43 1hk6 s GLY 12 Ca 0.15 3.02 -0.17 0.00 0.00 0.00 0.00 44.72 47.72 1hk6 s GLY 12 CO -0.06 1.84 0.83 -1.50 0.00 0.00 0.00 173.10 174.21 1hk6 s ILE 13 N 0.07 0.00 0.01 0.90 2.07 -1.26 -3.07 121.20 119.92 1hk6 s ILE 13 Ca 0.05 0.00 -0.26 0.00 -1.41 0.00 0.00 60.65 59.03 1hk6 s ILE 13 Cb -0.05 -1.00 -0.15 0.00 0.13 0.00 0.00 42.46 41.40 1hk6 s ILE 13 CO -0.10 0.00 1.10 -1.28 -1.91 0.00 0.00 174.94 172.75 1hk6 h SER 14 N 6.32 -0.72 -3.74 4.50 0.87 -1.98 -3.42 113.55 115.39 1hk6 h SER 14 Ca -0.29 -0.00 -0.63 0.00 -1.23 0.00 0.00 61.79 59.64 1hk6 h SER 14 Cb 1.21 0.19 -0.15 0.00 -0.44 0.00 0.00 62.40 63.20 1hk6 h SER 14 CO 0.17 -0.34 -0.26 -2.16 -0.53 0.00 0.00 176.83 173.70 1hk6 s PRO 15 N -4.60 4.00 -0.32 2.24 0.04 -1.26 -4.95 135.00 130.14 1hk6 s PRO 15 Ca -0.14 0.00 0.03 0.00 0.04 0.00 0.00 61.00 60.94 1hk6 s PRO 15 Cb 0.02 -3.66 0.50 0.00 0.04 0.00 0.00 34.50 31.39 1hk6 s PRO 15 CO 0.43 -0.28 1.66 0.09 0.04 0.00 0.00 177.00 178.95 1hk6 n ASN 16 N 5.31 3.60 0.00 6.66 3.02 -1.26 -4.84 115.26 127.75 1hk6 n ASN 16 Ca -0.09 -3.16 0.00 0.00 -0.03 0.00 0.00 54.58 51.30 1hk6 n ASN 16 Cb 0.51 -0.74 0.00 0.00 -0.61 0.00 0.00 39.78 38.93 1hk6 n ASN 16 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1hk6 n GLU 17 N -0.65 0.00 0.00 3.52 0.28 -1.26 -4.14 120.64 118.39 1hk6 n GLU 17 Ca 0.43 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.43 1hk6 n GLU 17 Cb 1.35 0.00 0.00 0.00 1.43 0.00 0.00 31.44 34.22 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 -0.02 2.75 3.54 -1.84 0.00 -0.93 -4.94 105.19 103.75 1hk6 n GLY 18 Ca 0.00 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.34 1hk6 n GLY 18 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1hk6 n ILE 19 N -0.65 0.30 -0.32 -0.61 -5.35 -1.26 -2.97 119.36 108.52 1hk6 n ILE 19 Ca 0.00 -0.14 0.14 0.00 -0.27 0.00 0.00 62.75 62.49 1hk6 n ILE 19 Cb 0.00 -0.82 0.33 0.00 -1.74 0.00 0.00 39.64 37.41 1hk6 n ILE 19 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 1hk6 h PRO 20 N -1.55 0.44 0.00 6.28 0.13 -1.81 0.24 132.00 135.72 1hk6 h PRO 20 Ca -0.44 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.64 1hk6 h PRO 20 Cb 1.28 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 1hk6 h PRO 20 CO 0.38 0.29 -0.12 -1.49 -0.23 0.00 0.00 178.00 176.84 1hk6 h TRP 21 N 0.46 0.00 -2.15 1.56 4.06 -1.90 -2.35 115.95 115.63 1hk6 h TRP 21 Ca 0.58 0.00 -0.60 0.00 2.06 0.00 0.00 58.89 60.93 1hk6 h TRP 21 Cb 1.10 0.00 0.05 0.00 -1.00 0.00 0.00 29.16 29.31 1hk6 h TRP 21 CO -0.10 0.12 0.82 2.41 -3.56 0.00 0.00 178.44 178.13 1hk6 n THR 22 N -3.39 0.11 -2.41 1.49 -1.04 0.83 -4.79 114.28 105.08 1hk6 n THR 22 Ca -0.01 -0.02 -0.40 0.00 -2.04 0.00 0.00 64.05 61.58 1hk6 n THR 22 Cb 0.30 -1.52 -0.04 0.00 -1.82 0.00 0.00 70.33 67.26 1hk6 n THR 22 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1hk6 s LYS 23 N 1.50 4.57 -0.04 -2.82 2.20 -1.26 -3.88 119.74 120.01 1hk6 s LYS 23 Ca 0.82 1.87 -0.02 0.00 -0.36 0.00 0.00 55.97 58.28 1hk6 s LYS 23 Cb -0.72 -3.15 0.03 0.00 -1.51 0.00 0.00 37.83 32.48 1hk6 s LYS 23 CO 0.42 0.13 0.08 0.14 -0.36 0.00 0.00 175.35 175.76 1hk6 s VAL 24 N -1.17 -0.04 -0.28 4.02 -7.23 -1.25 -4.90 120.40 109.55 1hk6 s VAL 24 Ca 0.46 0.14 -0.22 0.00 -1.81 0.00 0.00 61.98 60.55 1hk6 s VAL 24 Cb -0.33 -0.14 -0.01 0.00 0.56 0.00 0.00 36.38 36.46 1hk6 s VAL 24 CO 0.43 0.06 0.73 -0.89 -0.31 0.00 0.00 175.10 175.12 1hk6 s THR 25 N 0.81 4.87 0.24 5.32 2.01 -1.26 -4.00 115.64 123.63 1hk6 s THR 25 Ca -0.06 1.20 -0.29 0.00 0.31 0.00 0.00 61.69 62.85 1hk6 s THR 25 Cb -0.09 -4.06 -0.09 0.00 0.01 0.00 0.00 72.50 68.27 1hk6 s THR 25 CO -0.03 -0.12 0.93 -0.63 -0.69 0.00 0.00 174.62 174.07 1hk6 s ILE 26 N 2.76 4.11 -0.03 1.82 1.01 -1.20 -4.13 121.20 125.55 1hk6 s ILE 26 Ca 0.30 2.03 -0.01 0.00 0.00 0.00 0.00 60.65 62.97 1hk6 s ILE 26 Cb -0.15 -4.28 0.02 0.00 0.01 0.00 0.00 42.46 38.05 1hk6 s ILE 26 CO 0.10 0.47 0.06 -0.13 0.00 0.00 0.00 174.94 175.44 1hk6 s ARG 27 N -1.26 0.04 0.00 2.79 1.81 -1.18 -3.59 118.95 117.56 1hk6 s ARG 27 Ca 0.41 0.15 0.00 0.00 -1.72 0.00 0.00 55.73 54.58 1hk6 s ARG 27 Cb -0.25 -0.08 0.00 0.00 -0.45 0.00 0.00 34.95 34.17 1hk6 s ARG 27 CO 0.31 -0.08 0.00 0.41 -0.68 0.00 0.00 175.30 175.26 1hk6 n GLY 28 N 3.55 1.12 3.20 -3.53 0.00 -1.26 -2.37 105.19 105.91 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 4.47 0.36 -1.27 1.61 0.41 0.88 -4.76 118.70 120.39 1hk6 s GLU 29 Ca 0.00 0.53 -0.05 0.00 -0.41 0.00 0.00 54.97 55.04 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 -0.08 0.64 0.09 -0.49 0.00 0.00 175.26 175.41 1hk6 n ASN 30 N 3.35 -5.49 -3.40 -0.19 3.02 -1.04 -1.28 115.26 110.23 1hk6 n ASN 30 Ca -0.17 -0.30 -0.40 0.00 -0.03 0.00 0.00 54.58 53.69 1hk6 n ASN 30 Cb 0.57 -4.27 -0.02 0.00 -0.61 0.00 0.00 39.78 35.44 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 -3.65 8.42 -0.44 3.41 4.32 -1.07 -4.00 117.00 123.99 1hk6 n LEU 31 Ca -0.07 -4.48 0.00 0.00 -0.02 0.00 0.00 56.01 51.44 1hk6 n LEU 31 Cb 0.59 -1.52 0.00 0.00 -1.62 0.00 0.00 43.42 40.87 1hk6 n LEU 31 CO 0.44 1.98 -0.00 0.61 -1.22 0.00 0.00 177.39 179.20 1hk6 n GLY 32 N 3.17 -3.62 1.84 -0.72 0.00 -1.26 -4.42 105.19 100.19 1hk6 n GLY 32 Ca 0.72 -0.80 -0.17 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.06 2.59 0.00 2.61 -2.24 -1.26 -3.60 114.28 112.32 1hk6 n THR 33 Ca 0.00 -1.47 0.00 0.00 -2.27 0.00 0.00 64.05 60.31 1hk6 n THR 33 Cb 0.00 -0.90 0.00 0.00 -2.10 0.00 0.00 70.33 67.33 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 -0.31 3.07 0.26 3.38 0.00 -1.26 -4.92 105.19 105.41 1hk6 n GLY 34 Ca 0.37 -0.50 0.03 0.00 0.00 0.00 0.00 46.02 45.93 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 0.40 -0.61 1.61 0.11 -1.93 -0.75 132.00 130.84 1hk6 h PRO 35 Ca 0.00 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.03 1hk6 h PRO 35 Cb 0.00 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 30.99 1hk6 h PRO 35 CO 0.00 0.27 0.14 0.00 -0.21 0.00 0.00 178.00 178.19 1hk6 h THR 36 N 0.41 1.24 0.05 -1.15 1.03 -2.00 -3.09 112.91 109.40 1hk6 h THR 36 Ca 0.37 -0.90 0.03 0.00 -0.01 0.00 0.00 66.41 65.90 1hk6 h THR 36 Cb 0.53 0.63 -0.04 0.00 -1.07 0.00 0.00 68.15 68.20 1hk6 h THR 36 CO -0.38 0.34 -0.26 0.44 -0.01 0.00 0.00 175.52 175.65 1hk6 h ASP 37 N 0.91 -0.75 -2.61 0.00 3.32 -1.50 -3.40 116.42 112.38 1hk6 h ASP 37 Ca 0.19 0.10 -0.52 0.00 0.02 0.00 0.00 57.03 56.82 1hk6 h ASP 37 Cb 0.34 0.30 0.04 0.00 0.22 0.00 0.00 39.33 40.23 1hk6 h ASP 37 CO 0.00 -0.33 1.05 -0.22 -1.72 0.00 0.00 179.24 178.02 1hk6 s LEU 38 N -10.33 4.39 0.00 1.55 1.98 -1.04 -0.41 118.68 114.82 1hk6 s LEU 38 Ca -0.15 2.76 0.00 0.00 -2.89 0.00 0.00 54.13 53.85 1hk6 s LEU 38 Cb 0.09 -3.58 0.00 0.00 0.66 0.00 0.00 46.19 43.36 1hk6 s LEU 38 CO 0.66 -0.97 0.00 2.30 -1.89 0.00 0.00 176.35 176.44 1hk6 n ILE 39 N 4.43 0.00 -4.63 6.68 -5.35 -1.22 -4.89 119.36 114.39 1hk6 n ILE 39 Ca 0.17 0.00 -0.23 0.00 -0.27 0.00 0.00 62.75 62.42 1hk6 n ILE 39 Cb 0.37 -0.03 -0.15 0.00 -1.74 0.00 0.00 39.64 38.10 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 -0.75 0.83 -0.14 3.28 0.00 -1.05 -5.03 107.32 104.46 1hk6 s GLY 40 Ca 0.00 -0.78 -0.08 0.00 0.00 0.00 0.00 44.72 43.86 1hk6 s GLY 40 CO 0.00 -0.69 0.35 -2.27 0.00 0.00 0.00 173.10 170.48 1hk6 s LEU 41 N -0.70 0.20 -0.07 0.66 1.98 -1.26 -1.63 118.68 117.86 1hk6 s LEU 41 Ca 0.05 0.74 -0.17 0.00 -2.89 0.00 0.00 54.13 51.86 1hk6 s LEU 41 Cb -0.07 1.12 0.04 0.00 0.66 0.00 0.00 46.19 47.94 1hk6 s LEU 41 CO 0.00 -0.17 0.40 0.42 -1.89 0.00 0.00 176.35 175.11 1hk6 s THR 42 N 1.16 0.03 -0.05 3.68 -4.23 -1.10 -2.93 115.64 112.20 1hk6 s THR 42 Ca -0.08 -0.24 -0.01 0.00 -1.18 0.00 0.00 61.69 60.18 1hk6 s THR 42 Cb -0.08 -0.65 0.03 0.00 1.34 0.00 0.00 72.50 73.13 1hk6 s THR 42 CO -0.09 -0.13 0.02 -0.63 -0.54 0.00 0.00 174.62 173.24 1hk6 s ILE 43 N -0.76 0.17 -1.44 2.99 1.01 -0.59 -2.95 121.20 119.64 1hk6 s ILE 43 Ca -0.08 0.19 -0.10 0.00 0.00 0.00 0.00 60.65 60.66 1hk6 s ILE 43 Cb -0.04 -0.34 0.04 0.00 0.01 0.00 0.00 42.46 42.13 1hk6 s ILE 43 CO 0.04 0.20 1.06 0.00 0.00 0.00 0.00 174.94 176.24 1hk6 n GLY 45 N -1.85 2.10 3.72 0.00 0.00 -1.26 -3.11 105.19 104.78 1hk6 n GLY 45 Ca 0.01 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 3.42 0.30 1.61 5.65 -0.70 -5.00 115.29 120.58 1hk6 s HIS 46 Ca 0.00 1.30 -0.29 0.00 0.25 0.00 0.00 55.06 56.32 1hk6 s HIS 46 Cb 0.00 -3.44 -0.10 0.00 -1.18 0.00 0.00 32.58 27.86 1hk6 s HIS 46 CO 0.00 -1.34 1.15 -0.80 -0.65 0.00 0.00 174.74 173.10 1hk6 s ASN 47 N 0.86 7.10 -0.30 9.88 -0.87 -1.26 -1.54 114.94 128.80 1hk6 s ASN 47 Ca 0.58 2.37 0.18 0.00 -1.57 0.00 0.00 52.86 54.41 1hk6 s ASN 47 Cb -0.31 -2.63 0.45 0.00 -0.02 0.00 0.00 41.25 38.75 1hk6 s ASN 47 CO 0.31 -0.27 1.34 0.00 -2.57 0.00 0.00 177.10 175.91 1hk6 h LEU 49 N 1.73 0.74 -0.83 0.00 5.85 -1.93 -2.09 115.31 118.78 1hk6 h LEU 49 Ca -0.31 -0.53 0.16 0.00 0.84 0.00 0.00 57.88 58.05 1hk6 h LEU 49 Cb 1.29 -0.21 -0.10 0.00 0.37 0.00 0.00 40.66 42.01 1hk6 h LEU 49 CO -0.02 1.12 0.38 0.17 -0.34 0.00 0.00 178.44 179.76 1hk6 h LEU 50 N 0.38 0.41 0.05 2.25 -0.00 -1.93 -1.04 115.31 115.43 1hk6 h LEU 50 Ca 0.02 0.11 -0.24 0.00 -0.00 0.00 0.00 57.88 57.77 1hk6 h LEU 50 Cb 0.98 0.06 -0.02 0.00 -0.00 0.00 0.00 40.66 41.68 1hk6 h LEU 50 CO 0.09 0.14 -1.12 0.71 -0.00 0.00 0.00 178.44 178.25 1hk6 h THR 51 N 0.52 1.60 -2.50 0.15 1.35 -1.94 -3.46 112.91 108.64 1hk6 h THR 51 Ca 0.47 -3.26 -0.57 0.00 -0.55 0.00 0.00 66.41 62.50 1hk6 h THR 51 Cb 0.72 2.88 0.06 0.00 -1.73 0.00 0.00 68.15 70.09 1hk6 h THR 51 CO -0.41 0.93 0.81 0.00 -0.25 0.00 0.00 175.52 176.60 1hk6 n ALA 52 N -2.43 1.68 -3.24 6.62 0.00 -0.40 -4.56 120.51 118.18 1hk6 n ALA 52 Ca -0.04 0.43 -0.26 0.00 0.00 0.00 0.00 53.44 53.57 1hk6 n ALA 52 Cb 0.98 -2.38 -0.16 0.00 0.00 0.00 0.00 19.45 17.89 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 0.60 1.83 0.45 0.00 2.12 0.10 -4.95 118.70 118.85 1hk6 s GLU 53 Ca 0.75 -0.52 -0.23 0.00 0.36 0.00 0.00 54.97 55.33 1hk6 s GLU 53 Cb -0.63 -1.52 -0.08 0.00 0.26 0.00 0.00 34.13 32.16 1hk6 s GLU 53 CO 0.40 0.12 1.11 -0.46 -0.54 0.00 0.00 175.26 175.89 1hk6 s TRP 54 N 0.41 3.01 0.01 5.30 -0.00 -1.26 -2.44 118.94 123.97 1hk6 s TRP 54 Ca -0.11 1.58 0.00 0.00 -0.00 0.00 0.00 56.10 57.57 1hk6 s TRP 54 Cb -0.14 -3.26 0.00 0.00 -0.00 0.00 0.00 33.47 30.07 1hk6 s TRP 54 CO 0.04 -1.14 0.00 -1.33 -0.00 0.00 0.00 176.95 174.51 1hk6 n MET 55 N -0.43 0.00 0.00 5.86 2.81 -1.15 -4.91 117.12 119.30 1hk6 n MET 55 Ca 0.07 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.96 1hk6 n MET 55 Cb 0.49 -0.15 0.00 0.00 -0.71 0.00 0.00 33.22 32.85 1hk6 n MET 55 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1hk6 n SER 56 N -2.67 0.00 -2.00 7.83 3.41 -1.14 -4.98 113.62 114.06 1hk6 n SER 56 Ca 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.41 1hk6 n SER 56 Cb 0.15 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.24 1hk6 n SER 56 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hk6 n ALA 57 N -3.00 5.08 -1.72 7.33 0.00 -1.24 -4.13 120.51 122.83 1hk6 n ALA 57 Ca 0.00 -2.37 -0.00 0.00 0.00 0.00 0.00 53.44 51.07 1hk6 n ALA 57 Cb 0.00 -1.39 -0.00 0.00 0.00 0.00 0.00 19.45 18.06 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 -0.78 -0.07 -3.62 0.00 3.41 -1.26 -2.51 113.62 108.78 1hk6 n SER 58 Ca 0.48 -0.31 -0.04 0.00 -0.26 0.00 0.00 58.87 58.75 1hk6 n SER 58 Cb 1.36 0.02 -0.06 0.00 -0.26 0.00 0.00 64.21 65.28 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 -0.22 4.33 2.20 -1.25 -3.99 119.74 121.33 1hk6 s LYS 59 Ca 0.00 0.95 -0.05 0.00 -0.36 0.00 0.00 55.97 56.51 1hk6 s LYS 59 Cb 0.01 0.19 0.11 0.00 -1.51 0.00 0.00 37.83 36.63 1hk6 s LYS 59 CO -0.00 -0.12 0.39 0.42 -0.36 0.00 0.00 175.35 175.69 1hk6 s ILE 60 N 1.67 -0.62 0.04 5.43 1.01 -1.24 -2.91 121.20 124.58 1hk6 s ILE 60 Ca -0.09 0.05 -0.30 0.00 0.00 0.00 0.00 60.65 60.31 1hk6 s ILE 60 Cb -0.05 -0.74 -0.04 0.00 0.01 0.00 0.00 42.46 41.64 1hk6 s ILE 60 CO -0.17 -0.03 0.96 -0.69 0.00 0.00 0.00 174.94 175.01 1hk6 s VAL 61 N 2.58 4.73 -0.11 2.92 1.01 -1.02 -3.23 120.40 127.28 1hk6 s VAL 61 Ca 0.06 2.04 -0.30 0.00 0.00 0.00 0.00 61.98 63.78 1hk6 s VAL 61 Cb -0.14 -4.31 0.12 0.00 0.00 0.00 0.00 36.38 32.05 1hk6 s VAL 61 CO -0.14 0.23 0.98 0.00 0.00 0.00 0.00 175.10 176.17 1hk6 s ARG 63 N -2.03 4.38 0.10 0.00 3.52 -1.26 -3.76 118.95 119.89 1hk6 s ARG 63 Ca 0.02 1.07 -0.31 0.00 -0.13 0.00 0.00 55.73 56.38 1hk6 s ARG 63 Cb -0.01 -3.52 -0.09 0.00 -1.56 0.00 0.00 34.95 29.76 1hk6 s ARG 63 CO -0.03 -0.19 1.72 0.14 -0.81 0.00 0.00 175.30 176.12 1hk6 s VAL 64 N 1.65 2.78 0.54 7.11 -7.23 -0.88 -4.87 120.40 119.50 1hk6 s VAL 64 Ca 0.41 0.30 -0.19 0.00 -1.81 0.00 0.00 61.98 60.69 1hk6 s VAL 64 Cb -0.18 -3.19 -0.06 0.00 0.56 0.00 0.00 36.38 33.51 1hk6 s VAL 64 CO 0.16 0.00 1.08 -0.83 -0.31 0.00 0.00 175.10 175.21 1hk6 s GLY 65 N 2.38 2.47 0.53 2.32 0.00 -1.26 -4.24 107.32 109.52 1hk6 s GLY 65 Ca 0.76 0.65 -0.19 0.00 0.00 0.00 0.00 44.72 45.95 1hk6 s GLY 65 CO 0.34 0.99 0.46 0.61 0.00 0.00 0.00 173.10 175.50 1hk6 n GLN 66 N -1.39 0.48 -0.90 2.90 10.64 -1.26 -4.63 117.38 123.22 1hk6 n GLN 66 Ca 0.10 0.18 -0.29 0.00 -1.83 0.00 0.00 57.00 55.16 1hk6 n GLN 66 Cb 0.52 -1.59 -0.03 0.00 -0.86 0.00 0.00 30.24 28.28 1hk6 n GLN 66 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1hk6 n ALA 67 N -1.49 4.37 0.09 2.61 0.00 -1.26 -4.51 120.51 120.31 1hk6 n ALA 67 Ca 0.11 -2.47 -0.12 0.00 0.00 0.00 0.00 53.44 50.95 1hk6 n ALA 67 Cb 0.46 -3.21 -0.06 0.00 0.00 0.00 0.00 19.45 16.63 1hk6 n ALA 67 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1hk6 h LYS 68 N 6.75 -0.19 0.00 0.00 1.63 -1.83 -3.41 116.57 119.51 1hk6 h LYS 68 Ca 0.48 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.30 1hk6 h LYS 68 Cb 0.33 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.00 1hk6 h LYS 68 CO 1.62 -0.13 0.00 0.09 -3.45 0.00 0.00 179.45 177.58 1hk6 n ASN 69 N -5.21 0.00 0.00 4.20 3.02 -1.20 -5.06 115.26 111.01 1hk6 n ASN 69 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 1hk6 n ASN 69 Cb 0.13 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 1hk6 n ASN 69 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1hk6 n ASP 70 N 0.00 0.00 -0.15 6.41 5.68 -1.26 -4.95 116.55 122.28 1hk6 n ASP 70 Ca 0.00 0.00 -0.11 0.00 -0.50 0.00 0.00 54.79 54.18 1hk6 n ASP 70 Cb 0.00 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 39.97 1hk6 n ASP 70 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 1hk6 h LYS 71 N 0.00 0.81 -1.51 0.11 3.64 -1.97 -3.48 116.57 114.17 1hk6 h LYS 71 Ca 0.00 -0.29 -0.08 0.00 -1.27 0.00 0.00 60.65 59.01 1hk6 h LYS 71 Cb 0.00 -0.06 0.02 0.00 -0.41 0.00 0.00 32.23 31.78 1hk6 h LYS 71 CO 0.00 0.91 -0.13 0.41 -2.27 0.00 0.00 179.45 178.37 1hk6 n GLY 72 N -0.26 0.48 3.74 5.01 0.00 -1.26 -4.64 105.19 108.26 1hk6 n GLY 72 Ca -0.00 -0.56 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 1hk6 n GLY 72 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1hk6 s ASP 73 N -2.97 7.40 -0.09 1.61 -4.77 -1.26 -1.59 116.67 115.00 1hk6 s ASP 73 Ca 0.08 2.03 -0.25 0.00 -3.30 0.00 0.00 52.55 51.11 1hk6 s ASP 73 Cb -0.03 -2.61 -0.03 0.00 -1.09 0.00 0.00 42.92 39.16 1hk6 s ASP 73 CO 0.10 -0.09 0.78 -0.63 0.70 0.00 0.00 175.17 176.03 1hk6 s ILE 74 N -0.57 4.97 -0.02 2.11 1.01 -1.26 -3.87 121.20 123.57 1hk6 s ILE 74 Ca 0.46 1.58 0.04 0.00 0.00 0.00 0.00 60.65 62.73 1hk6 s ILE 74 Cb -0.28 -4.11 -0.01 0.00 0.01 0.00 0.00 42.46 38.08 1hk6 s ILE 74 CO 0.34 0.16 -0.15 -0.63 0.00 0.00 0.00 174.94 174.67 1hk6 s ILE 75 N 1.29 1.22 -0.05 2.92 -1.09 -1.15 -4.02 121.20 120.30 1hk6 s ILE 75 Ca 0.39 -0.64 -0.02 0.00 -2.23 0.00 0.00 60.65 58.15 1hk6 s ILE 75 Cb -0.18 -1.03 0.03 0.00 -1.58 0.00 0.00 42.46 39.71 1hk6 s ILE 75 CO 0.17 0.35 0.06 0.54 -1.23 0.00 0.00 174.94 174.83 1hk6 s VAL 76 N -0.20 -0.09 -0.09 2.92 0.11 -1.26 -2.72 120.40 119.07 1hk6 s VAL 76 Ca 0.03 0.36 -0.21 0.00 -2.93 0.00 0.00 61.98 59.23 1hk6 s VAL 76 Cb -0.08 -0.21 -0.04 0.00 -1.53 0.00 0.00 36.38 34.53 1hk6 s VAL 76 CO 0.00 0.14 0.59 -0.89 -3.33 0.00 0.00 175.10 171.62 1hk6 s THR 77 N 2.16 5.11 -0.02 5.04 2.01 -0.65 -0.66 115.64 128.64 1hk6 s THR 77 Ca 0.05 1.21 0.01 0.00 0.31 0.00 0.00 61.69 63.27 1hk6 s THR 77 Cb -0.12 -3.93 -0.03 0.00 0.01 0.00 0.00 72.50 68.42 1hk6 s THR 77 CO -0.04 0.29 -0.00 0.42 -0.69 0.00 0.00 174.62 174.60 1hk6 s THR 78 N 0.71 4.16 0.22 -0.82 -4.23 -0.79 -2.51 115.64 112.37 1hk6 s THR 78 Ca 0.32 -0.52 -0.08 0.00 -1.18 0.00 0.00 61.69 60.23 1hk6 s THR 78 Cb -0.16 -2.82 0.16 0.00 1.34 0.00 0.00 72.50 71.01 1hk6 s THR 78 CO 0.14 0.44 1.81 0.50 -0.54 0.00 0.00 174.62 176.97 1hk6 h LYS 79 N 4.56 0.67 0.24 3.99 1.63 -1.05 -3.04 116.57 123.57 1hk6 h LYS 79 Ca -0.49 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.25 1hk6 h LYS 79 Cb 1.18 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.66 1hk6 h LYS 79 CO 0.56 0.45 -0.12 0.66 -3.45 0.00 0.00 179.45 177.55 1hk6 h SER 80 N 0.69 -0.28 0.00 4.20 4.64 -1.96 -3.46 113.55 117.39 1hk6 h SER 80 Ca 0.32 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1hk6 h SER 80 Cb 0.23 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1hk6 h SER 80 CO -0.20 0.23 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 1hk6 n GLY 81 N 0.61 0.73 0.00 -0.77 0.00 -1.15 -4.59 105.19 100.01 1hk6 n GLY 81 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 3.63 3.70 -0.02 0.00 -1.22 -4.58 105.19 111.69 1hk6 n GLY 82 Ca 0.00 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 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 4.96 4.20 0.31 1.61 1.02 -1.26 -1.89 119.74 128.68 1hk6 s LYS 83 Ca 0.00 2.36 -0.27 0.00 0.02 0.00 0.00 55.97 58.08 1hk6 s LYS 83 Cb 0.00 -3.51 -0.10 0.00 -0.52 0.00 0.00 37.83 33.70 1hk6 s LYS 83 CO 0.00 -0.72 0.95 0.20 -0.92 0.00 0.00 175.35 174.86 1hk6 s GLY 84 N 2.18 2.87 -0.10 -3.33 0.00 0.17 -4.73 107.32 104.38 1hk6 s GLY 84 Ca 0.74 0.55 -0.09 0.00 0.00 0.00 0.00 44.72 45.92 1hk6 s GLY 84 CO 0.32 1.02 0.19 -0.51 0.00 0.00 0.00 173.10 174.13 1hk6 s THR 85 N -1.52 5.41 -0.03 0.90 -4.23 -0.91 -4.15 115.64 111.10 1hk6 s THR 85 Ca 0.48 0.34 0.01 0.00 -1.18 0.00 0.00 61.69 61.34 1hk6 s THR 85 Cb -0.20 -3.47 0.02 0.00 1.34 0.00 0.00 72.50 70.19 1hk6 s THR 85 CO 0.26 0.60 -0.03 -0.94 -0.54 0.00 0.00 174.62 173.97 1hk6 s SER 86 N -0.92 0.62 0.08 3.99 1.04 -1.26 -1.53 113.70 115.73 1hk6 s SER 86 Ca 0.16 -0.08 0.03 0.00 0.48 0.00 0.00 55.95 56.54 1hk6 s SER 86 Cb -0.13 -0.26 -0.24 0.00 0.10 0.00 0.00 66.02 65.49 1hk6 s SER 86 CO 0.05 -0.04 1.16 0.71 0.98 0.00 0.00 173.24 176.10 1hk6 h THR 87 N 5.93 1.54 -3.47 2.02 1.35 -1.93 -3.45 112.91 114.90 1hk6 h THR 87 Ca -0.38 -3.21 -0.45 0.00 -0.55 0.00 0.00 66.41 61.82 1hk6 h THR 87 Cb 1.15 2.85 0.13 0.00 -1.73 0.00 0.00 68.15 70.55 1hk6 h THR 87 CO 0.48 0.91 0.31 0.68 -0.25 0.00 0.00 175.52 177.65 1hk6 s VAL 88 N -2.68 2.07 -0.23 6.82 -7.23 -1.26 -5.09 120.40 112.80 1hk6 s VAL 88 Ca -0.02 -0.21 -0.20 0.00 -1.81 0.00 0.00 61.98 59.75 1hk6 s VAL 88 Cb 0.09 -2.86 0.06 0.00 0.56 0.00 0.00 36.38 34.22 1hk6 s VAL 88 CO 0.84 0.00 0.60 -0.44 -0.31 0.00 0.00 175.10 175.80 1hk6 s SER 89 N -4.79 -0.66 -0.05 4.85 0.01 -1.26 -4.29 113.70 107.51 1hk6 s SER 89 Ca 0.69 1.24 -0.21 0.00 1.31 0.00 0.00 55.95 58.98 1hk6 s SER 89 Cb -0.05 1.23 -0.05 0.00 0.21 0.00 0.00 66.02 67.36 1hk6 s SER 89 CO 0.49 -0.21 0.60 0.12 0.41 0.00 0.00 173.24 174.65 1hk6 s PHE 90 N 0.55 3.62 -0.23 2.43 5.36 -0.62 -4.99 117.98 124.10 1hk6 s PHE 90 Ca -0.02 1.15 -0.18 0.00 -0.96 0.00 0.00 56.93 56.92 1hk6 s PHE 90 Cb -0.05 -2.65 -0.03 0.00 -0.34 0.00 0.00 43.02 39.95 1hk6 s PHE 90 CO -0.03 0.24 0.52 0.21 -1.46 0.00 0.00 175.22 174.70 1hk6 s LYS 91 N 0.27 4.13 -0.10 10.12 2.20 -1.26 -4.68 119.74 130.42 1hk6 s LYS 91 Ca 0.32 0.37 -0.25 0.00 -0.36 0.00 0.00 55.97 56.05 1hk6 s LYS 91 Cb -0.17 -3.60 -0.03 0.00 -1.51 0.00 0.00 37.83 32.52 1hk6 s LYS 91 CO 0.16 -0.24 0.81 -0.51 -0.36 0.00 0.00 175.35 175.21 1hk6 s LEU 92 N 1.94 4.26 0.01 5.43 2.01 -1.26 -2.18 118.68 128.89 1hk6 s LEU 92 Ca 0.23 1.26 -0.17 0.00 0.01 0.00 0.00 54.13 55.45 1hk6 s LEU 92 Cb -0.15 -3.23 -0.06 0.00 0.01 0.00 0.00 46.19 42.75 1hk6 s LEU 92 CO 0.09 -0.27 0.49 -0.76 1.01 0.00 0.00 176.35 176.91 1hk6 s LEU 93 N 1.46 4.46 0.20 1.79 1.43 -1.16 -4.87 118.68 122.00 1hk6 s LEU 93 Ca 0.40 1.06 -0.32 0.00 -1.03 0.00 0.00 54.13 54.24 1hk6 s LEU 93 Cb -0.18 -2.73 -0.12 0.00 0.03 0.00 0.00 46.19 43.19 1hk6 s LEU 93 CO 0.17 0.25 1.71 0.29 0.23 0.00 0.00 176.35 179.00 1hk6 n LYS 94 N 2.10 2.69 -1.66 1.70 4.76 -1.26 -4.00 118.16 122.49 1hk6 n LYS 94 Ca -0.11 0.97 -0.47 0.00 -2.87 0.00 0.00 58.31 55.83 1hk6 n LYS 94 Cb 0.52 -2.81 -0.04 0.00 -1.84 0.00 0.00 35.03 30.85 1hk6 n LYS 94 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1hk6 n PRO 95 N 3.95 2.00 -2.81 1.97 -0.02 -1.26 -4.93 135.00 133.90 1hk6 n PRO 95 Ca 0.16 0.72 -0.42 0.00 -2.02 0.00 0.00 63.50 61.94 1hk6 n PRO 95 Cb 0.34 -2.48 -0.03 0.00 -0.02 0.00 0.00 33.50 31.31 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 1.11 4.21 0.00 -0.52 2.02 -1.26 -5.20 118.70 119.06 1hk6 s GLU 96 Ca 0.81 1.08 0.00 0.00 0.02 0.00 0.00 54.97 56.88 1hk6 s GLU 96 Cb -0.72 -3.64 0.00 0.00 0.10 0.00 0.00 34.13 29.86 1hk6 s GLU 96 CO 0.40 -0.56 0.00 0.36 0.02 0.00 0.00 175.26 175.49