#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 0.00 -3.64 -0.41 0.00 -1.26 -4.74 117.12 107.08 1hk6 n MET 4 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.70 57.61 1hk6 n MET 4 Cb 0.00 -0.14 -0.07 0.00 0.00 0.00 0.00 33.22 33.01 1hk6 n MET 4 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 175.97 176.47 1hk6 s ARG 5 N 0.00 0.47 0.26 2.12 3.52 -1.26 -5.12 118.95 118.94 1hk6 s ARG 5 Ca 0.00 0.53 -0.31 0.00 -0.13 0.00 0.00 55.73 55.82 1hk6 s ARG 5 Cb 0.00 0.23 -0.12 0.00 -1.56 0.00 0.00 34.95 33.50 1hk6 s ARG 5 CO 0.00 -0.06 1.62 0.94 -0.81 0.00 0.00 175.30 176.99 1hk6 n GLN 6 N 2.06 2.67 -1.89 5.12 7.27 -1.26 -4.86 117.38 126.49 1hk6 n GLN 6 Ca -0.12 0.95 -0.38 0.00 0.07 0.00 0.00 57.00 57.52 1hk6 n GLN 6 Cb 0.56 -2.75 0.03 0.00 2.41 0.00 0.00 30.24 30.49 1hk6 n GLN 6 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1hk6 s PRO 7 N 0.01 3.23 0.03 3.69 0.04 -1.26 -4.90 135.00 135.84 1hk6 s PRO 7 Ca 0.68 2.11 -0.33 0.00 0.04 0.00 0.00 61.00 63.50 1hk6 s PRO 7 Cb -0.51 -2.25 -0.11 0.00 0.04 0.00 0.00 34.50 31.66 1hk6 s PRO 7 CO 0.44 -1.08 1.83 -0.35 0.04 0.00 0.00 177.00 177.88 1hk6 n PRO 8 N -0.99 2.46 -3.71 0.56 -0.04 -1.26 -4.88 135.00 127.13 1hk6 n PRO 8 Ca 0.10 0.90 -0.37 0.00 -0.04 0.00 0.00 63.50 64.09 1hk6 n PRO 8 Cb 0.46 -2.76 -0.12 0.00 -0.04 0.00 0.00 33.50 31.04 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 3.20 3.73 -0.08 1.53 2.96 -0.96 -2.71 118.68 126.36 1hk6 s LEU 9 Ca 0.87 -0.09 -0.13 0.00 -0.22 0.00 0.00 54.13 54.56 1hk6 s LEU 9 Cb -0.59 -2.01 -0.05 0.00 0.50 0.00 0.00 46.19 44.04 1hk6 s LEU 9 CO 0.44 -0.02 0.33 -0.69 -1.32 0.00 0.00 176.35 175.09 1hk6 s VAL 10 N 1.52 5.21 -0.36 1.68 1.01 -0.56 -0.62 120.40 128.30 1hk6 s VAL 10 Ca 0.06 0.64 0.05 0.00 0.00 0.00 0.00 61.98 62.73 1hk6 s VAL 10 Cb -0.15 -3.64 0.22 0.00 0.00 0.00 0.00 36.38 32.81 1hk6 s VAL 10 CO 0.06 0.52 1.20 1.07 0.00 0.00 0.00 175.10 177.95 1hk6 n THR 11 N 2.48 0.00 -3.63 3.92 5.66 -0.38 -2.58 114.28 119.75 1hk6 n THR 11 Ca -0.14 -1.02 -0.07 0.00 -3.05 0.00 0.00 64.05 59.77 1hk6 n THR 11 Cb 0.53 0.82 -0.06 0.00 -1.55 0.00 0.00 70.33 70.06 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 -0.63 0.02 -0.28 1.09 0.00 -0.50 -4.83 107.32 102.18 1hk6 s GLY 12 Ca 0.13 2.83 -0.17 0.00 0.00 0.00 0.00 44.72 47.51 1hk6 s GLY 12 CO -0.06 1.61 0.69 -1.50 0.00 0.00 0.00 173.10 173.84 1hk6 s ILE 13 N -0.28 0.00 0.01 0.90 2.07 -1.26 -1.69 121.20 120.96 1hk6 s ILE 13 Ca 0.04 0.00 -0.26 0.00 -1.41 0.00 0.00 60.65 59.03 1hk6 s ILE 13 Cb -0.04 -1.00 -0.15 0.00 0.13 0.00 0.00 42.46 41.41 1hk6 s ILE 13 CO -0.08 0.00 1.11 -1.28 -1.91 0.00 0.00 174.94 172.79 1hk6 h SER 14 N 6.84 -0.69 -3.53 4.50 0.87 -1.94 -3.41 113.55 116.18 1hk6 h SER 14 Ca -0.30 -0.02 -0.62 0.00 -1.23 0.00 0.00 61.79 59.62 1hk6 h SER 14 Cb 1.22 0.18 -0.12 0.00 -0.44 0.00 0.00 62.40 63.24 1hk6 h SER 14 CO 0.15 -0.31 0.24 -2.16 -0.53 0.00 0.00 176.83 174.22 1hk6 s PRO 15 N -4.62 3.79 -0.38 2.24 0.04 -1.26 -4.92 135.00 129.89 1hk6 s PRO 15 Ca -0.14 0.25 0.06 0.00 0.04 0.00 0.00 61.00 61.21 1hk6 s PRO 15 Cb 0.02 -3.78 0.68 0.00 0.04 0.00 0.00 34.50 31.45 1hk6 s PRO 15 CO 0.44 -0.72 1.84 0.09 0.04 0.00 0.00 177.00 178.69 1hk6 n ASN 16 N 6.13 4.17 0.00 6.66 4.13 -1.26 -4.86 115.26 130.23 1hk6 n ASN 16 Ca 0.01 -3.38 0.00 0.00 1.68 0.00 0.00 54.58 52.89 1hk6 n ASN 16 Cb 0.48 -0.79 0.00 0.00 -1.54 0.00 0.00 39.78 37.94 1hk6 n ASN 16 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 1hk6 n GLU 17 N -0.66 0.00 0.00 3.52 0.28 -1.26 -4.56 120.64 117.96 1hk6 n GLU 17 Ca 0.50 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.50 1hk6 n GLU 17 Cb 1.51 0.00 0.00 0.00 1.43 0.00 0.00 31.44 34.38 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 -0.01 2.37 3.53 -1.84 0.00 -1.24 -5.05 105.19 102.95 1hk6 n GLY 18 Ca 0.00 -0.45 -0.31 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.24 -0.61 -5.35 -1.26 -2.81 119.36 108.54 1hk6 n ILE 19 Ca 0.00 -0.16 0.04 0.00 -0.27 0.00 0.00 62.75 62.36 1hk6 n ILE 19 Cb 0.00 -0.85 0.16 0.00 -1.74 0.00 0.00 39.64 37.21 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 -1.95 0.20 0.00 6.28 0.11 -1.82 0.12 132.00 134.94 1hk6 h PRO 20 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1hk6 h PRO 20 Cb 1.29 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1hk6 h PRO 20 CO 0.40 0.13 0.00 0.91 -0.21 0.00 0.00 178.00 179.23 1hk6 n TRP 21 N -5.21 0.00 -2.35 0.65 7.02 -1.26 -2.63 117.44 113.66 1hk6 n TRP 21 Ca 0.13 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.18 1hk6 n TRP 21 Cb 0.43 -0.30 -0.03 0.00 -2.42 0.00 0.00 31.31 29.00 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 -2.60 3.92 -0.04 -0.99 2.01 0.43 -4.79 115.64 113.58 1hk6 s THR 22 Ca 0.14 1.33 -0.30 0.00 0.31 0.00 0.00 61.69 63.17 1hk6 s THR 22 Cb 0.10 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 1hk6 s THR 22 CO 0.23 0.05 1.24 -1.59 -0.69 0.00 0.00 174.62 173.87 1hk6 s LYS 23 N 1.70 4.34 -0.18 4.92 -2.85 -1.26 -3.23 119.74 123.17 1hk6 s LYS 23 Ca 0.60 1.74 -0.05 0.00 -1.00 0.00 0.00 55.97 57.26 1hk6 s LYS 23 Cb -0.30 -3.56 -0.03 0.00 -2.06 0.00 0.00 37.83 31.89 1hk6 s LYS 23 CO 0.27 -0.47 -0.01 0.14 0.10 0.00 0.00 175.35 175.37 1hk6 s VAL 24 N 2.24 3.99 -0.23 1.79 -7.23 -0.36 -4.87 120.40 115.74 1hk6 s VAL 24 Ca 0.58 -0.31 -0.29 0.00 -1.81 0.00 0.00 61.98 60.14 1hk6 s VAL 24 Cb -0.26 -2.78 0.01 0.00 0.56 0.00 0.00 36.38 33.91 1hk6 s VAL 24 CO 0.23 0.46 1.10 -0.89 -0.31 0.00 0.00 175.10 175.69 1hk6 s THR 25 N 0.64 4.56 0.16 5.32 2.01 -1.26 -3.31 115.64 123.76 1hk6 s THR 25 Ca -0.01 1.88 -0.23 0.00 0.31 0.00 0.00 61.69 63.63 1hk6 s THR 25 Cb -0.14 -4.25 -0.08 0.00 0.01 0.00 0.00 72.50 68.04 1hk6 s THR 25 CO 0.02 -0.21 0.73 -0.63 -0.69 0.00 0.00 174.62 173.84 1hk6 s ILE 26 N 3.34 4.46 -0.09 1.82 1.01 -0.37 -3.35 121.20 128.03 1hk6 s ILE 26 Ca 0.47 1.55 -0.07 0.00 0.00 0.00 0.00 60.65 62.60 1hk6 s ILE 26 Cb -0.16 -4.05 0.03 0.00 0.01 0.00 0.00 42.46 38.29 1hk6 s ILE 26 CO 0.09 0.48 0.24 -0.13 0.00 0.00 0.00 174.94 175.62 1hk6 s ARG 27 N -1.28 0.25 0.00 2.79 0.52 -0.68 -2.02 118.95 118.53 1hk6 s ARG 27 Ca 0.36 0.39 0.00 0.00 -0.52 0.00 0.00 55.73 55.96 1hk6 s ARG 27 Cb -0.21 0.05 0.00 0.00 0.52 0.00 0.00 34.95 35.31 1hk6 s ARG 27 CO 0.24 -0.08 0.00 0.41 0.02 0.00 0.00 175.30 175.90 1hk6 n GLY 28 N 3.37 1.31 2.94 -3.53 0.00 -1.25 -1.25 105.19 106.77 1hk6 n GLY 28 Ca -0.17 0.26 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 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 3.84 0.11 -1.27 1.61 2.02 0.21 -4.83 118.70 120.40 1hk6 s GLU 29 Ca 0.00 0.40 -0.02 0.00 0.02 0.00 0.00 54.97 55.37 1hk6 s GLU 29 Cb 0.00 -0.18 0.01 0.00 0.10 0.00 0.00 34.13 34.06 1hk6 s GLU 29 CO 0.00 -0.17 0.99 0.09 0.02 0.00 0.00 175.26 176.18 1hk6 n ASN 30 N 4.26 -2.88 -2.46 -0.19 3.02 -1.23 -2.26 115.26 113.52 1hk6 n ASN 30 Ca -0.26 -0.65 -0.22 0.00 -0.03 0.00 0.00 54.58 53.43 1hk6 n ASN 30 Cb 0.52 -4.87 -0.12 0.00 -0.61 0.00 0.00 39.78 34.70 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 -4.35 6.44 0.00 3.41 4.32 -1.23 -4.20 117.00 121.39 1hk6 n LEU 31 Ca -0.22 -3.65 0.00 0.00 -0.02 0.00 0.00 56.01 52.13 1hk6 n LEU 31 Cb 0.64 -1.44 0.00 0.00 -1.62 0.00 0.00 43.42 41.00 1hk6 n LEU 31 CO 0.64 1.82 0.00 0.61 -1.22 0.00 0.00 177.39 179.24 1hk6 n GLY 32 N 2.66 -2.16 0.32 -0.72 0.00 -1.26 -4.74 105.19 99.29 1hk6 n GLY 32 Ca 0.54 -1.16 -0.06 0.00 0.00 0.00 0.00 46.02 45.35 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 1.25 -0.88 2.61 1.35 -1.93 -3.38 112.91 111.92 1hk6 h THR 33 Ca 0.00 -0.77 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 1hk6 h THR 33 Cb 0.00 0.34 0.00 0.00 -1.73 0.00 0.00 68.15 66.76 1hk6 h THR 33 CO 0.00 0.31 0.00 0.61 -0.25 0.00 0.00 175.52 176.19 1hk6 n GLY 34 N -0.90 2.88 0.10 5.82 0.00 -1.26 -4.69 105.19 107.13 1hk6 n GLY 34 Ca 0.07 -0.73 -0.12 0.00 0.00 0.00 0.00 46.02 45.23 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 0.20 -0.94 1.61 0.11 -1.92 -2.62 132.00 128.43 1hk6 h PRO 35 Ca 0.00 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1hk6 h PRO 35 Cb 0.00 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 31.04 1hk6 h PRO 35 CO 0.00 0.43 0.60 0.00 -0.21 0.00 0.00 178.00 178.82 1hk6 h THR 36 N -0.06 1.25 -0.24 -1.15 1.03 -2.01 -2.76 112.91 108.97 1hk6 h THR 36 Ca 0.03 -0.48 -0.01 0.00 -0.01 0.00 0.00 66.41 65.94 1hk6 h THR 36 Cb 0.33 -0.12 -0.01 0.00 -1.07 0.00 0.00 68.15 67.28 1hk6 h THR 36 CO 0.00 0.25 0.09 -0.78 -0.01 0.00 0.00 175.52 175.08 1hk6 h ASP 37 N 1.29 0.32 -2.90 0.00 3.58 -1.94 -3.42 116.42 113.35 1hk6 h ASP 37 Ca 0.34 -0.16 -0.53 0.00 0.42 0.00 0.00 57.03 57.10 1hk6 h ASP 37 Cb -0.12 -0.08 0.03 0.00 1.72 0.00 0.00 39.33 40.88 1hk6 h ASP 37 CO -0.07 0.40 0.82 -0.22 -2.88 0.00 0.00 179.24 177.29 1hk6 s LEU 38 N -9.83 4.37 0.00 2.28 0.20 -0.99 -2.32 118.68 112.38 1hk6 s LEU 38 Ca -0.13 2.44 0.00 0.00 0.69 0.00 0.00 54.13 57.12 1hk6 s LEU 38 Cb 0.08 -3.58 0.00 0.00 -0.43 0.00 0.00 46.19 42.25 1hk6 s LEU 38 CO 0.72 -0.75 0.00 2.30 -0.29 0.00 0.00 176.35 178.33 1hk6 n ILE 39 N 4.09 0.00 -3.76 6.68 -5.35 -1.16 -4.91 119.36 114.95 1hk6 n ILE 39 Ca 0.13 0.00 -0.37 0.00 -0.27 0.00 0.00 62.75 62.24 1hk6 n ILE 39 Cb 0.41 -0.34 -0.07 0.00 -1.74 0.00 0.00 39.64 37.91 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 -4.01 2.18 -0.14 3.28 0.00 -1.21 -4.98 107.32 102.45 1hk6 s GLY 40 Ca 0.00 -0.57 -0.09 0.00 0.00 0.00 0.00 44.72 44.06 1hk6 s GLY 40 CO 0.00 -0.10 0.34 -2.27 0.00 0.00 0.00 173.10 171.07 1hk6 s LEU 41 N -0.55 0.26 -0.04 0.66 1.98 -1.26 -1.70 118.68 118.03 1hk6 s LEU 41 Ca 0.15 0.73 -0.18 0.00 -2.89 0.00 0.00 54.13 51.94 1hk6 s LEU 41 Cb -0.12 1.11 0.03 0.00 0.66 0.00 0.00 46.19 47.87 1hk6 s LEU 41 CO 0.04 -0.17 0.39 0.42 -1.89 0.00 0.00 176.35 175.14 1hk6 s THR 42 N 1.06 0.04 -0.15 3.68 -4.23 -1.11 -1.95 115.64 112.98 1hk6 s THR 42 Ca -0.07 -0.34 -0.02 0.00 -1.18 0.00 0.00 61.69 60.09 1hk6 s THR 42 Cb -0.08 -0.68 0.05 0.00 1.34 0.00 0.00 72.50 73.13 1hk6 s THR 42 CO -0.08 -0.18 -0.00 -0.63 -0.54 0.00 0.00 174.62 173.18 1hk6 s ILE 43 N -1.12 0.66 0.00 2.99 1.01 -0.85 -2.93 121.20 120.96 1hk6 s ILE 43 Ca -0.12 -0.40 0.00 0.00 0.00 0.00 0.00 60.65 60.14 1hk6 s ILE 43 Cb -0.04 -0.97 0.00 0.00 0.01 0.00 0.00 42.46 41.45 1hk6 s ILE 43 CO 0.05 0.02 0.00 0.00 0.00 0.00 0.00 174.94 175.01 1hk6 n GLY 45 N 0.00 0.76 3.73 0.00 0.00 -1.26 -4.32 105.19 104.10 1hk6 n GLY 45 Ca 0.00 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 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 3.78 0.41 1.61 0.00 -1.18 -4.98 115.29 114.94 1hk6 s HIS 46 Ca 0.00 1.76 -0.27 0.00 -3.00 0.00 0.00 55.06 53.56 1hk6 s HIS 46 Cb 0.00 -3.11 -0.09 0.00 -4.00 0.00 0.00 32.58 25.38 1hk6 s HIS 46 CO 0.00 0.02 1.44 -0.80 -1.00 0.00 0.00 174.74 174.39 1hk6 s ASN 47 N -0.20 6.12 -0.22 7.38 -0.87 -1.26 -2.01 114.94 123.87 1hk6 s ASN 47 Ca 0.47 2.94 0.23 0.00 -1.57 0.00 0.00 52.86 54.93 1hk6 s ASN 47 Cb -0.25 -2.66 0.50 0.00 -0.02 0.00 0.00 41.25 38.82 1hk6 s ASN 47 CO 0.32 -1.01 1.12 0.00 -2.57 0.00 0.00 177.10 174.95 1hk6 h LEU 49 N 2.36 0.62 -0.81 0.00 5.85 -1.90 -1.28 115.31 120.14 1hk6 h LEU 49 Ca -0.15 -0.55 0.12 0.00 0.84 0.00 0.00 57.88 58.13 1hk6 h LEU 49 Cb 1.37 -0.18 -0.08 0.00 0.37 0.00 0.00 40.66 42.14 1hk6 h LEU 49 CO 0.17 1.06 0.42 0.17 -0.34 0.00 0.00 178.44 179.91 1hk6 h LEU 50 N 0.20 0.54 0.20 2.25 -0.00 -1.94 -2.36 115.31 114.20 1hk6 h LEU 50 Ca 0.00 0.07 -0.31 0.00 -0.00 0.00 0.00 57.88 57.64 1hk6 h LEU 50 Cb 0.96 -0.02 0.02 0.00 -0.00 0.00 0.00 40.66 41.62 1hk6 h LEU 50 CO 0.08 0.27 -1.41 0.71 -0.00 0.00 0.00 178.44 178.09 1hk6 h THR 51 N 0.66 1.34 -2.65 0.15 1.35 -1.95 -3.45 112.91 108.35 1hk6 h THR 51 Ca 0.42 -2.84 -0.52 0.00 -0.55 0.00 0.00 66.41 62.92 1hk6 h THR 51 Cb 0.50 2.98 0.05 0.00 -1.73 0.00 0.00 68.15 69.96 1hk6 h THR 51 CO -0.31 0.85 1.02 0.00 -0.25 0.00 0.00 175.52 176.83 1hk6 s ALA 52 N -2.62 3.90 -0.06 6.62 0.00 -0.48 -4.67 121.76 124.45 1hk6 s ALA 52 Ca -0.07 1.55 0.03 0.00 0.00 0.00 0.00 51.96 53.47 1hk6 s ALA 52 Cb 0.05 -3.70 0.01 0.00 0.00 0.00 0.00 23.12 19.47 1hk6 s ALA 52 CO 0.92 -0.97 -0.15 -2.00 0.00 0.00 0.00 175.76 173.55 1hk6 s GLU 53 N 1.45 1.89 0.60 0.00 2.12 -0.25 -4.89 118.70 119.62 1hk6 s GLU 53 Ca 0.76 -0.54 -0.19 0.00 0.36 0.00 0.00 54.97 55.36 1hk6 s GLU 53 Cb -0.49 -1.56 -0.03 0.00 0.26 0.00 0.00 34.13 32.31 1hk6 s GLU 53 CO 0.33 0.13 1.23 -0.46 -0.54 0.00 0.00 175.26 175.95 1hk6 s TRP 54 N 0.38 2.32 0.00 5.30 -0.00 -1.26 -2.99 118.94 122.68 1hk6 s TRP 54 Ca -0.11 1.50 0.00 0.00 -0.00 0.00 0.00 56.10 57.49 1hk6 s TRP 54 Cb -0.14 -3.54 0.00 0.00 -0.00 0.00 0.00 33.47 29.79 1hk6 s TRP 54 CO 0.04 -2.40 0.00 -1.33 -0.00 0.00 0.00 176.95 173.26 1hk6 n MET 55 N -1.64 0.00 -3.53 5.86 2.81 -1.23 -4.91 117.12 114.48 1hk6 n MET 55 Ca 0.14 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.94 1hk6 n MET 55 Cb 0.49 -0.17 -0.02 0.00 -0.71 0.00 0.00 33.22 32.81 1hk6 n MET 55 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1hk6 s SER 56 N -3.69 -0.41 0.00 7.83 0.01 -0.94 -4.99 113.70 111.50 1hk6 s SER 56 Ca 0.00 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.16 1hk6 s SER 56 Cb 0.00 0.51 0.00 0.00 0.21 0.00 0.00 66.02 66.74 1hk6 s SER 56 CO 0.00 -0.86 1.18 0.00 0.41 0.00 0.00 173.24 173.97 1hk6 n ALA 57 N -0.34 2.90 -1.26 1.44 0.00 -1.26 -2.16 120.51 119.83 1hk6 n ALA 57 Ca -0.11 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.33 1hk6 n ALA 57 Cb 0.63 -1.17 -0.00 0.00 0.00 0.00 0.00 19.45 18.90 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 1.27 -0.01 -3.64 0.00 3.41 -1.26 -3.57 113.62 109.81 1hk6 n SER 58 Ca 0.00 -0.25 -0.05 0.00 -0.26 0.00 0.00 58.87 58.30 1hk6 n SER 58 Cb 0.36 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.25 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 0.54 -0.13 4.33 2.20 -0.92 -3.96 119.74 121.80 1hk6 s LYS 59 Ca 0.00 0.88 -0.05 0.00 -0.36 0.00 0.00 55.97 56.44 1hk6 s LYS 59 Cb 0.00 0.14 0.06 0.00 -1.51 0.00 0.00 37.83 36.52 1hk6 s LYS 59 CO 0.00 -0.10 0.28 0.42 -0.36 0.00 0.00 175.35 175.59 1hk6 s ILE 60 N 1.27 -0.36 0.04 5.43 1.01 -0.86 -2.22 121.20 125.52 1hk6 s ILE 60 Ca -0.08 0.24 -0.26 0.00 0.00 0.00 0.00 60.65 60.55 1hk6 s ILE 60 Cb -0.04 -0.46 -0.05 0.00 0.01 0.00 0.00 42.46 41.91 1hk6 s ILE 60 CO -0.15 0.10 0.81 -0.69 0.00 0.00 0.00 174.94 175.01 1hk6 s VAL 61 N 2.19 4.74 -0.29 2.92 1.01 -1.16 -1.23 120.40 128.57 1hk6 s VAL 61 Ca -0.01 1.71 -0.19 0.00 0.00 0.00 0.00 61.98 63.49 1hk6 s VAL 61 Cb -0.12 -4.16 0.15 0.00 0.00 0.00 0.00 36.38 32.26 1hk6 s VAL 61 CO -0.09 0.33 1.05 0.00 0.00 0.00 0.00 175.10 176.38 1hk6 s ARG 63 N 0.97 4.48 0.00 0.00 0.52 -1.26 -1.22 118.95 122.45 1hk6 s ARG 63 Ca -0.05 1.04 0.00 0.00 -0.52 0.00 0.00 55.73 56.20 1hk6 s ARG 63 Cb -0.04 -3.36 0.00 0.00 0.52 0.00 0.00 34.95 32.07 1hk6 s ARG 63 CO -0.13 0.29 0.00 1.33 0.02 0.00 0.00 175.30 176.82 1hk6 n VAL 64 N 2.79 0.00 0.00 3.52 0.24 -1.08 -4.94 118.33 118.87 1hk6 n VAL 64 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 1hk6 n VAL 64 Cb 0.50 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.87 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 2.73 -0.88 3.65 7.63 0.00 -1.17 -4.56 105.19 112.59 1hk6 n GLY 65 Ca 0.00 0.18 -0.02 0.00 0.00 0.00 0.00 46.02 46.18 1hk6 n GLY 65 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1hk6 s GLN 66 N 0.00 0.11 -0.17 1.61 -2.07 -1.26 -4.63 119.66 113.25 1hk6 s GLN 66 Ca 0.00 0.15 -0.26 0.00 -1.82 0.00 0.00 55.36 53.43 1hk6 s GLN 66 Cb 0.00 0.05 -0.01 0.00 -1.09 0.00 0.00 33.01 31.95 1hk6 s GLN 66 CO 0.00 -0.02 0.87 0.00 -1.32 0.00 0.00 175.29 174.82 1hk6 s ALA 67 N 0.38 3.52 -0.14 2.60 0.00 -1.26 -4.65 121.76 122.21 1hk6 s ALA 67 Ca 0.02 0.08 -0.16 0.00 0.00 0.00 0.00 51.96 51.90 1hk6 s ALA 67 Cb -0.04 -3.28 -0.14 0.00 0.00 0.00 0.00 23.12 19.66 1hk6 s ALA 67 CO -0.13 -0.69 0.30 0.87 0.00 0.00 0.00 175.76 176.11 1hk6 h LYS 68 N 7.33 0.00 0.11 0.00 1.57 -1.90 -3.41 116.57 120.27 1hk6 h LYS 68 Ca -0.28 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.49 1hk6 h LYS 68 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1hk6 h LYS 68 CO 0.85 0.55 -0.05 -0.91 -0.57 0.00 0.00 179.45 179.32 1hk6 h ASN 69 N -1.00 -0.13 0.00 0.86 2.35 -1.93 -3.49 115.58 112.24 1hk6 h ASN 69 Ca -0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 1hk6 h ASN 69 Cb 0.68 0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.08 1hk6 h ASN 69 CO -0.04 -0.06 0.00 -0.67 -1.65 0.00 0.00 177.43 175.01 1hk6 n ASP 70 N -2.57 0.00 0.00 5.81 2.03 -1.26 -5.12 116.55 115.45 1hk6 n ASP 70 Ca -0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.29 1hk6 n ASP 70 Cb 0.06 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.46 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 -4.94 118.16 116.10 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 4.17 0.00 3.71 3.14 0.00 -1.26 -4.79 105.19 110.16 1hk6 n GLY 72 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1hk6 n GLY 72 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1hk6 s ASP 73 N 0.00 6.56 0.08 1.61 1.11 -1.26 -3.87 116.67 120.90 1hk6 s ASP 73 Ca 0.00 2.61 -0.23 0.00 0.18 0.00 0.00 52.55 55.11 1hk6 s ASP 73 Cb 0.00 -2.59 -0.06 0.00 1.07 0.00 0.00 42.92 41.34 1hk6 s ASP 73 CO 0.00 -0.86 0.71 -0.63 1.18 0.00 0.00 175.17 175.57 1hk6 s ILE 74 N 1.60 4.64 0.01 0.77 1.01 -1.26 -3.22 121.20 124.76 1hk6 s ILE 74 Ca 0.72 1.53 0.03 0.00 0.00 0.00 0.00 60.65 62.92 1hk6 s ILE 74 Cb -0.43 -4.06 -0.01 0.00 0.01 0.00 0.00 42.46 37.97 1hk6 s ILE 74 CO 0.32 0.45 -0.08 -0.63 0.00 0.00 0.00 174.94 175.00 1hk6 s ILE 75 N -0.59 0.62 -0.03 2.92 -1.09 -1.15 -3.94 121.20 117.94 1hk6 s ILE 75 Ca 0.35 -0.51 -0.01 0.00 -2.23 0.00 0.00 60.65 58.25 1hk6 s ILE 75 Cb -0.21 -0.56 0.03 0.00 -1.58 0.00 0.00 42.46 40.15 1hk6 s ILE 75 CO 0.22 0.06 0.06 0.54 -1.23 0.00 0.00 174.94 174.59 1hk6 s VAL 76 N -0.44 -0.07 -0.11 2.92 0.11 -1.26 -2.76 120.40 118.79 1hk6 s VAL 76 Ca 0.01 0.24 -0.05 0.00 -2.93 0.00 0.00 61.98 59.24 1hk6 s VAL 76 Cb -0.04 -0.13 -0.04 0.00 -1.53 0.00 0.00 36.38 34.64 1hk6 s VAL 76 CO 0.00 0.10 0.10 -0.89 -3.33 0.00 0.00 175.10 171.07 1hk6 s THR 77 N 1.24 5.12 0.11 5.04 2.01 -0.69 -2.80 115.64 125.68 1hk6 s THR 77 Ca -0.07 0.06 0.10 0.00 0.31 0.00 0.00 61.69 62.08 1hk6 s THR 77 Cb -0.13 -3.21 -0.04 0.00 0.01 0.00 0.00 72.50 69.13 1hk6 s THR 77 CO -0.04 0.61 -0.25 0.42 -0.69 0.00 0.00 174.62 174.68 1hk6 s THR 78 N -0.99 2.03 0.16 -0.82 -4.23 -1.21 -2.97 115.64 107.62 1hk6 s THR 78 Ca 0.15 -1.63 -0.19 0.00 -1.18 0.00 0.00 61.69 58.84 1hk6 s THR 78 Cb -0.12 -1.81 0.08 0.00 1.34 0.00 0.00 72.50 72.00 1hk6 s THR 78 CO 0.04 0.06 1.65 0.11 -0.54 0.00 0.00 174.62 175.94 1hk6 h LYS 79 N 4.07 -0.10 0.23 3.99 1.79 -1.80 -2.89 116.57 121.85 1hk6 h LYS 79 Ca -0.49 0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 57.98 1hk6 h LYS 79 Cb 1.17 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 1hk6 h LYS 79 CO 0.40 -0.07 -0.11 0.77 -1.08 0.00 0.00 179.45 179.36 1hk6 h SER 80 N -0.11 -0.26 0.00 0.86 0.02 -1.97 -3.45 113.55 108.64 1hk6 h SER 80 Ca 0.18 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1hk6 h SER 80 Cb 0.38 0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.99 1hk6 h SER 80 CO -0.43 0.20 0.00 0.61 -1.14 0.00 0.00 176.83 176.07 1hk6 n GLY 81 N 0.15 0.82 0.00 -3.77 0.00 -1.10 -4.96 105.19 96.34 1hk6 n GLY 81 Ca -0.09 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 2.02 3.65 -0.02 0.00 -1.21 -4.49 105.19 110.13 1hk6 n GLY 82 Ca 0.00 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 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 4.09 4.00 0.00 1.61 1.02 -1.26 -3.31 119.74 125.89 1hk6 s LYS 83 Ca 0.00 1.99 0.00 0.00 0.02 0.00 0.00 55.97 57.98 1hk6 s LYS 83 Cb 0.00 -4.02 0.00 0.00 -0.52 0.00 0.00 37.83 33.29 1hk6 s LYS 83 CO 0.00 -1.06 0.00 0.41 -0.92 0.00 0.00 175.35 173.78 1hk6 n GLY 84 N 4.38 0.91 2.52 -3.33 0.00 -1.12 -4.92 105.19 103.63 1hk6 n GLY 84 Ca 0.18 -0.49 -0.06 0.00 0.00 0.00 0.00 46.02 45.65 1hk6 n GLY 84 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1hk6 n THR 85 N 0.00 0.00 -3.51 2.61 5.66 -1.10 -4.89 114.28 113.05 1hk6 n THR 85 Ca 0.00 -0.66 -0.00 0.00 -3.05 0.00 0.00 64.05 60.34 1hk6 n THR 85 Cb 0.00 0.66 -0.05 0.00 -1.55 0.00 0.00 70.33 69.39 1hk6 n THR 85 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1hk6 s SER 86 N -2.39 -0.58 -0.40 1.09 1.04 -1.25 -1.49 113.70 109.72 1hk6 s SER 86 Ca 0.11 0.83 0.01 0.00 0.48 0.00 0.00 55.95 57.39 1hk6 s SER 86 Cb -0.03 1.51 0.44 0.00 0.10 0.00 0.00 66.02 68.04 1hk6 s SER 86 CO 0.08 -0.12 1.81 0.35 0.98 0.00 0.00 173.24 176.34 1hk6 n THR 87 N 4.50 2.86 -3.69 2.02 -2.24 -1.06 -4.73 114.28 111.94 1hk6 n THR 87 Ca -0.13 -1.76 -0.13 0.00 -2.27 0.00 0.00 64.05 59.76 1hk6 n THR 87 Cb 0.54 -0.83 -0.07 0.00 -2.10 0.00 0.00 70.33 67.87 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 -2.89 0.06 -0.04 2.28 -7.23 -1.26 -5.00 120.40 106.31 1hk6 s VAL 88 Ca 0.45 -0.45 -0.05 0.00 -1.81 0.00 0.00 61.98 60.11 1hk6 s VAL 88 Cb 0.37 -0.85 0.01 0.00 0.56 0.00 0.00 36.38 36.47 1hk6 s VAL 88 CO 0.05 -0.25 0.14 -0.94 -0.31 0.00 0.00 175.10 173.79 1hk6 s SER 89 N -1.72 -0.11 -0.01 4.85 1.04 -1.26 -4.14 113.70 112.35 1hk6 s SER 89 Ca -0.08 0.18 -0.25 0.00 0.48 0.00 0.00 55.95 56.28 1hk6 s SER 89 Cb -0.02 0.27 -0.04 0.00 0.10 0.00 0.00 66.02 66.32 1hk6 s SER 89 CO 0.01 -0.11 0.76 0.12 0.98 0.00 0.00 173.24 175.00 1hk6 s PHE 90 N -0.22 3.65 -0.22 5.02 5.36 -1.25 -4.95 117.98 125.38 1hk6 s PHE 90 Ca -0.03 1.40 -0.28 0.00 -0.96 0.00 0.00 56.93 57.06 1hk6 s PHE 90 Cb -0.02 -2.85 0.00 0.00 -0.34 0.00 0.00 43.02 39.81 1hk6 s PHE 90 CO 0.00 0.16 0.97 0.21 -1.46 0.00 0.00 175.22 175.10 1hk6 s LYS 91 N 0.46 4.26 0.00 10.12 2.20 -1.26 -4.76 119.74 130.76 1hk6 s LYS 91 Ca 0.40 1.23 -0.28 0.00 -0.36 0.00 0.00 55.97 56.96 1hk6 s LYS 91 Cb -0.19 -3.63 -0.04 0.00 -1.51 0.00 0.00 37.83 32.46 1hk6 s LYS 91 CO 0.21 -0.55 0.90 -0.51 -0.36 0.00 0.00 175.35 175.05 1hk6 s LEU 92 N 2.92 4.38 0.00 5.43 2.01 -1.26 -3.64 118.68 128.52 1hk6 s LEU 92 Ca 0.42 1.56 0.01 0.00 0.01 0.00 0.00 54.13 56.13 1hk6 s LEU 92 Cb -0.15 -3.45 -0.04 0.00 0.01 0.00 0.00 46.19 42.56 1hk6 s LEU 92 CO 0.08 -0.18 0.02 -0.76 1.01 0.00 0.00 176.35 176.52 1hk6 s LEU 93 N 0.76 3.61 0.23 1.79 1.43 -1.12 -4.96 118.68 120.41 1hk6 s LEU 93 Ca 0.47 0.02 -0.31 0.00 -1.03 0.00 0.00 54.13 53.28 1hk6 s LEU 93 Cb -0.21 -2.09 -0.11 0.00 0.03 0.00 0.00 46.19 43.81 1hk6 s LEU 93 CO 0.26 0.27 1.64 -0.75 0.23 0.00 0.00 176.35 178.01 1hk6 s LYS 94 N -1.65 4.15 0.25 1.70 2.20 -1.26 -4.02 119.74 121.11 1hk6 s LYS 94 Ca 0.21 2.54 -0.30 0.00 -0.36 0.00 0.00 55.97 58.06 1hk6 s LYS 94 Cb -0.12 -3.07 -0.10 0.00 -1.51 0.00 0.00 37.83 33.03 1hk6 s LYS 94 CO 0.12 -0.68 1.41 -1.25 -0.36 0.00 0.00 175.35 174.59 1hk6 s PRO 95 N 0.61 4.29 -1.08 4.03 0.04 -1.26 -4.88 135.00 136.75 1hk6 s PRO 95 Ca 0.70 2.27 -0.22 0.00 0.04 0.00 0.00 61.00 63.78 1hk6 s PRO 95 Cb -0.48 -3.11 -0.10 0.00 0.04 0.00 0.00 34.50 30.85 1hk6 s PRO 95 CO 0.37 -0.38 1.92 0.39 0.04 0.00 0.00 177.00 179.34 1hk6 n GLU 96 N 2.20 1.66 0.00 4.56 1.02 -1.26 -5.17 120.64 123.65 1hk6 n GLU 96 Ca 0.06 -2.34 0.01 0.00 -0.02 0.00 0.00 57.16 54.87 1hk6 n GLU 96 Cb 0.41 -3.49 0.08 0.00 -0.02 0.00 0.00 31.44 28.41 1hk6 n GLU 96 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48