#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 4.16 0.28 -0.41 0.00 -1.26 -4.93 119.30 117.14 1hk6 s MET 4 Ca 0.00 2.51 -0.30 0.00 0.00 0.00 0.00 55.69 57.91 1hk6 s MET 4 Cb 0.00 -3.07 -0.10 0.00 0.00 0.00 0.00 34.83 31.66 1hk6 s MET 4 CO 0.00 -0.63 1.43 1.03 0.00 0.00 0.00 175.02 176.85 1hk6 s ARG 5 N 0.21 4.25 0.19 3.16 1.81 -1.26 -4.94 118.95 122.38 1hk6 s ARG 5 Ca 0.67 2.34 -0.32 0.00 -1.72 0.00 0.00 55.73 56.70 1hk6 s ARG 5 Cb -0.47 -3.08 -0.11 0.00 -0.45 0.00 0.00 34.95 30.84 1hk6 s ARG 5 CO 0.40 -0.41 1.63 -1.14 -0.68 0.00 0.00 175.30 175.11 1hk6 s GLN 6 N -0.84 4.17 0.49 3.54 2.00 -1.26 -4.46 119.66 123.30 1hk6 s GLN 6 Ca 0.57 2.47 -0.22 0.00 -2.00 0.00 0.00 55.36 56.18 1hk6 s GLN 6 Cb -0.42 -3.11 -0.09 0.00 0.80 0.00 0.00 33.01 30.18 1hk6 s GLN 6 CO 0.48 -0.66 0.87 -2.30 -0.50 0.00 0.00 175.29 173.17 1hk6 n PRO 7 N 3.87 1.02 -1.67 1.67 -0.02 -1.26 -4.81 135.00 133.81 1hk6 n PRO 7 Ca 0.14 0.38 -0.46 0.00 -2.02 0.00 0.00 63.50 61.54 1hk6 n PRO 7 Cb 0.37 -1.96 -0.04 0.00 -0.02 0.00 0.00 33.50 31.85 1hk6 n PRO 7 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1hk6 n PRO 8 N -0.11 2.09 -3.91 0.52 -0.02 -1.25 -4.81 135.00 127.51 1hk6 n PRO 8 Ca 0.11 0.75 -0.35 0.00 -2.02 0.00 0.00 63.50 62.00 1hk6 n PRO 8 Cb 0.42 -2.52 -0.14 0.00 -0.02 0.00 0.00 33.50 31.25 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 1.05 3.96 0.05 2.45 2.96 -0.36 -1.71 118.68 127.08 1hk6 s LEU 9 Ca 0.80 -1.33 -0.30 0.00 -0.22 0.00 0.00 54.13 53.07 1hk6 s LEU 9 Cb -0.70 -1.71 -0.05 0.00 0.50 0.00 0.00 46.19 44.23 1hk6 s LEU 9 CO 0.39 -0.27 1.18 -0.69 -1.32 0.00 0.00 176.35 175.64 1hk6 s VAL 10 N 1.24 4.12 -0.33 1.68 1.01 -0.84 -0.42 120.40 126.85 1hk6 s VAL 10 Ca -0.04 1.52 0.16 0.00 0.00 0.00 0.00 61.98 63.61 1hk6 s VAL 10 Cb -0.20 -3.97 0.44 0.00 0.00 0.00 0.00 36.38 32.65 1hk6 s VAL 10 CO -0.01 0.11 1.18 0.35 0.00 0.00 0.00 175.10 176.73 1hk6 n THR 11 N 3.96 0.64 -3.65 3.92 -2.24 -0.23 -4.21 114.28 112.47 1hk6 n THR 11 Ca 0.09 -2.30 -0.02 0.00 -2.27 0.00 0.00 64.05 59.54 1hk6 n THR 11 Cb 0.47 0.95 -0.07 0.00 -2.10 0.00 0.00 70.33 69.58 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 -2.46 0.34 -0.29 3.38 0.00 -0.32 -4.76 107.32 103.22 1hk6 s GLY 12 Ca 0.23 3.47 -0.16 0.00 0.00 0.00 0.00 44.72 48.26 1hk6 s GLY 12 CO -0.04 1.82 0.83 -1.50 0.00 0.00 0.00 173.10 174.21 1hk6 s ILE 13 N -0.14 -0.06 0.01 0.90 2.07 -1.26 -2.13 121.20 120.58 1hk6 s ILE 13 Ca 0.08 0.00 -0.26 0.00 -1.41 0.00 0.00 60.65 59.06 1hk6 s ILE 13 Cb -0.04 -1.00 -0.15 0.00 0.13 0.00 0.00 42.46 41.40 1hk6 s ILE 13 CO -0.15 0.00 1.14 -1.28 -1.91 0.00 0.00 174.94 172.74 1hk6 h SER 14 N 6.63 -0.70 -3.40 4.50 0.87 -1.97 -3.42 113.55 116.06 1hk6 h SER 14 Ca -0.28 -0.02 -0.59 0.00 -1.23 0.00 0.00 61.79 59.67 1hk6 h SER 14 Cb 1.20 0.18 -0.09 0.00 -0.44 0.00 0.00 62.40 63.25 1hk6 h SER 14 CO 0.17 -0.32 0.12 -2.16 -0.53 0.00 0.00 176.83 174.11 1hk6 s PRO 15 N -4.68 4.24 -0.37 2.24 0.04 -1.26 -4.94 135.00 130.27 1hk6 s PRO 15 Ca -0.14 0.65 0.08 0.00 0.04 0.00 0.00 61.00 61.62 1hk6 s PRO 15 Cb 0.02 -3.56 0.72 0.00 0.04 0.00 0.00 34.50 31.72 1hk6 s PRO 15 CO 0.45 -0.20 1.85 -1.71 0.04 0.00 0.00 177.00 177.43 1hk6 n ASN 16 N 4.90 4.49 0.00 6.66 4.05 -1.26 -4.87 115.26 129.23 1hk6 n ASN 16 Ca -0.01 -3.35 0.00 0.00 0.45 0.00 0.00 54.58 51.67 1hk6 n ASN 16 Cb 0.50 -0.78 0.00 0.00 1.23 0.00 0.00 39.78 40.73 1hk6 n ASN 16 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 177.26 172.37 1hk6 n GLU 17 N -0.48 0.00 0.00 1.20 0.28 -1.26 -4.49 120.64 115.89 1hk6 n GLU 17 Ca 0.48 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.48 1hk6 n GLU 17 Cb 1.50 0.00 0.00 0.00 1.43 0.00 0.00 31.44 34.37 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 2.68 3.53 -1.84 0.00 -1.25 -4.98 105.19 103.32 1hk6 n GLY 18 Ca 0.00 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 1hk6 n GLY 18 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1hk6 n ILE 19 N -0.55 0.00 -0.34 -0.61 -5.35 -1.25 -2.99 119.36 108.27 1hk6 n ILE 19 Ca 0.00 -0.17 0.19 0.00 -0.27 0.00 0.00 62.75 62.50 1hk6 n ILE 19 Cb 0.00 -0.87 0.41 0.00 -1.74 0.00 0.00 39.64 37.44 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 -2.01 0.52 0.00 6.28 0.11 -1.75 0.27 132.00 135.42 1hk6 h PRO 20 Ca -0.48 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.55 1hk6 h PRO 20 Cb 1.29 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1hk6 h PRO 20 CO 0.41 0.34 -0.23 -1.49 -0.21 0.00 0.00 178.00 176.82 1hk6 h TRP 21 N 0.54 0.00 -2.44 0.65 4.06 -1.90 -2.65 115.95 114.21 1hk6 h TRP 21 Ca 0.65 0.00 -0.55 0.00 2.06 0.00 0.00 58.89 61.05 1hk6 h TRP 21 Cb 1.31 0.00 0.05 0.00 -1.00 0.00 0.00 29.16 29.52 1hk6 h TRP 21 CO -0.01 0.23 0.93 2.41 -3.56 0.00 0.00 178.44 178.45 1hk6 n THR 22 N -3.46 0.07 -2.44 1.49 -1.04 0.96 -4.82 114.28 105.05 1hk6 n THR 22 Ca -0.00 -0.01 -0.41 0.00 -2.04 0.00 0.00 64.05 61.59 1hk6 n THR 22 Cb 0.41 -1.80 -0.04 0.00 -1.82 0.00 0.00 70.33 67.08 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 1.38 4.57 -0.03 -2.82 2.20 -1.26 -3.73 119.74 120.05 1hk6 s LYS 23 Ca 0.78 1.82 0.01 0.00 -0.36 0.00 0.00 55.97 58.23 1hk6 s LYS 23 Cb -0.59 -3.22 0.02 0.00 -1.51 0.00 0.00 37.83 32.53 1hk6 s LYS 23 CO 0.36 0.07 -0.05 0.14 -0.36 0.00 0.00 175.35 175.52 1hk6 s VAL 24 N -0.60 0.51 -0.38 4.02 -7.23 -1.21 -4.87 120.40 110.63 1hk6 s VAL 24 Ca 0.48 -0.16 -0.23 0.00 -1.81 0.00 0.00 61.98 60.26 1hk6 s VAL 24 Cb -0.32 -0.51 0.01 0.00 0.56 0.00 0.00 36.38 36.12 1hk6 s VAL 24 CO 0.39 0.20 0.79 -0.89 -0.31 0.00 0.00 175.10 175.28 1hk6 s THR 25 N 0.62 4.70 0.26 5.32 2.01 -1.26 -3.67 115.64 123.62 1hk6 s THR 25 Ca -0.08 0.82 -0.30 0.00 0.31 0.00 0.00 61.69 62.44 1hk6 s THR 25 Cb -0.11 -4.24 -0.09 0.00 0.01 0.00 0.00 72.50 68.06 1hk6 s THR 25 CO 0.00 -0.50 1.08 -0.63 -0.69 0.00 0.00 174.62 173.88 1hk6 s ILE 26 N 3.17 3.61 -0.11 1.82 1.01 -1.10 -3.91 121.20 125.69 1hk6 s ILE 26 Ca 0.32 1.59 -0.07 0.00 0.00 0.00 0.00 60.65 62.49 1hk6 s ILE 26 Cb -0.13 -4.01 0.04 0.00 0.01 0.00 0.00 42.46 38.37 1hk6 s ILE 26 CO 0.18 0.37 0.27 -0.60 0.00 0.00 0.00 174.94 175.16 1hk6 s ARG 27 N -1.27 0.25 0.00 2.79 6.06 -0.91 -3.10 118.95 122.78 1hk6 s ARG 27 Ca 0.45 0.50 0.00 0.00 -2.50 0.00 0.00 55.73 54.18 1hk6 s ARG 27 Cb -0.31 -0.03 0.00 0.00 0.06 0.00 0.00 34.95 34.67 1hk6 s ARG 27 CO 0.39 -0.12 0.00 0.41 -2.50 0.00 0.00 175.30 173.48 1hk6 n GLY 28 N 3.83 1.97 3.11 8.12 0.00 -1.20 -1.07 105.19 119.95 1hk6 n GLY 28 Ca -0.21 0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 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 4.28 0.27 -1.28 1.61 2.02 0.44 -4.74 118.70 121.29 1hk6 s GLU 29 Ca 0.00 0.47 -0.08 0.00 0.02 0.00 0.00 54.97 55.38 1hk6 s GLU 29 Cb 0.00 0.02 0.01 0.00 0.10 0.00 0.00 34.13 34.25 1hk6 s GLU 29 CO 0.00 -0.10 1.11 0.09 0.02 0.00 0.00 175.26 176.38 1hk6 n ASN 30 N 3.61 -5.74 -1.98 -0.19 3.02 -0.91 -1.22 115.26 111.85 1hk6 n ASN 30 Ca -0.19 -0.52 -0.13 0.00 -0.03 0.00 0.00 54.58 53.71 1hk6 n ASN 30 Cb 0.56 -4.82 -0.09 0.00 -0.61 0.00 0.00 39.78 34.81 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 5.63 -1.06 3.41 4.32 -0.76 -3.95 117.00 119.89 1hk6 n LEU 31 Ca -0.02 -3.20 0.00 0.00 -0.02 0.00 0.00 56.01 52.76 1hk6 n LEU 31 Cb 0.57 -1.28 0.00 0.00 -1.62 0.00 0.00 43.42 41.08 1hk6 n LEU 31 CO 0.61 1.51 -0.19 0.61 -1.22 0.00 0.00 177.39 178.71 1hk6 n GLY 32 N 1.75 -4.30 1.78 -0.72 0.00 -1.26 -4.49 105.19 97.95 1hk6 n GLY 32 Ca 0.34 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.64 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 0.61 2.55 0.00 2.61 -2.24 -1.26 -3.69 114.28 112.85 1hk6 n THR 33 Ca 0.00 -1.36 0.00 0.00 -2.27 0.00 0.00 64.05 60.42 1hk6 n THR 33 Cb 0.00 -1.32 0.00 0.00 -2.10 0.00 0.00 70.33 66.91 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 0.52 2.26 0.34 3.38 0.00 -1.26 -4.94 105.19 105.49 1hk6 n GLY 34 Ca 0.24 -0.27 0.03 0.00 0.00 0.00 0.00 46.02 46.02 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 0.99 -0.99 1.61 0.13 -1.94 -1.89 132.00 129.91 1hk6 h PRO 35 Ca 0.00 -0.06 0.01 0.00 -0.87 0.00 0.00 66.00 65.08 1hk6 h PRO 35 Cb 0.00 -0.22 -0.05 0.00 0.13 0.00 0.00 31.00 30.86 1hk6 h PRO 35 CO 0.00 0.65 0.65 1.79 -0.23 0.00 0.00 178.00 180.87 1hk6 h THR 36 N 1.02 1.25 -0.54 1.56 1.35 -1.99 -2.56 112.91 112.99 1hk6 h THR 36 Ca 0.42 -0.46 0.03 0.00 -0.55 0.00 0.00 66.41 65.86 1hk6 h THR 36 Cb 0.26 -0.20 -0.04 0.00 -1.73 0.00 0.00 68.15 66.44 1hk6 h THR 36 CO -0.20 0.24 0.31 0.44 -0.25 0.00 0.00 175.52 176.06 1hk6 h ASP 37 N 1.33 0.49 -3.19 5.36 5.19 -1.73 -3.42 116.42 120.45 1hk6 h ASP 37 Ca 0.36 0.01 -0.53 0.00 -0.62 0.00 0.00 57.03 56.26 1hk6 h ASP 37 Cb -0.15 -0.09 0.07 0.00 0.18 0.00 0.00 39.33 39.35 1hk6 h ASP 37 CO -0.08 0.34 0.89 -0.22 -3.12 0.00 0.00 179.24 177.05 1hk6 s LEU 38 N -10.22 4.36 0.00 1.55 0.20 -0.97 -1.99 118.68 111.60 1hk6 s LEU 38 Ca -0.13 2.88 0.00 0.00 0.69 0.00 0.00 54.13 57.57 1hk6 s LEU 38 Cb 0.14 -3.62 0.00 0.00 -0.43 0.00 0.00 46.19 42.27 1hk6 s LEU 38 CO 0.74 -0.89 0.00 2.30 -0.29 0.00 0.00 176.35 178.21 1hk6 n ILE 39 N 2.61 0.00 -4.03 6.68 -5.35 -1.18 -4.95 119.36 113.14 1hk6 n ILE 39 Ca 0.10 0.00 -0.36 0.00 -0.27 0.00 0.00 62.75 62.22 1hk6 n ILE 39 Cb 0.37 -0.19 -0.08 0.00 -1.74 0.00 0.00 39.64 38.00 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 -3.56 1.99 -0.14 3.28 0.00 -1.22 -4.96 107.32 102.72 1hk6 s GLY 40 Ca 0.00 -0.72 -0.07 0.00 0.00 0.00 0.00 44.72 43.93 1hk6 s GLY 40 CO 0.00 -0.25 0.33 -2.27 0.00 0.00 0.00 173.10 170.91 1hk6 s LEU 41 N -0.45 0.03 -0.28 0.66 1.98 -1.26 -1.44 118.68 117.92 1hk6 s LEU 41 Ca 0.10 0.73 -0.21 0.00 -2.89 0.00 0.00 54.13 51.86 1hk6 s LEU 41 Cb -0.12 1.05 0.08 0.00 0.66 0.00 0.00 46.19 47.87 1hk6 s LEU 41 CO 0.02 -0.19 0.76 -0.89 -1.89 0.00 0.00 176.35 174.16 1hk6 s THR 42 N 1.55 0.00 -0.06 3.68 2.01 -1.20 -3.07 115.64 118.55 1hk6 s THR 42 Ca -0.08 0.00 0.02 0.00 0.31 0.00 0.00 61.69 61.94 1hk6 s THR 42 Cb -0.10 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.43 1hk6 s THR 42 CO -0.11 0.00 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.08 1hk6 s ILE 43 N 0.86 1.02 -1.45 1.82 1.01 -0.20 -3.39 121.20 120.86 1hk6 s ILE 43 Ca -0.04 -0.42 -0.11 0.00 0.00 0.00 0.00 60.65 60.09 1hk6 s ILE 43 Cb -0.05 -0.94 0.05 0.00 0.01 0.00 0.00 42.46 41.53 1hk6 s ILE 43 CO -0.08 0.33 1.06 0.00 0.00 0.00 0.00 174.94 176.25 1hk6 n GLY 45 N -1.81 -0.16 2.99 0.00 0.00 -1.26 -2.31 105.19 102.64 1hk6 n GLY 45 Ca 0.01 -0.15 -0.22 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.86 1.16 0.20 1.61 5.65 -0.30 -4.83 115.29 115.92 1hk6 s HIS 46 Ca 0.00 -0.38 -0.31 0.00 0.25 0.00 0.00 55.06 54.63 1hk6 s HIS 46 Cb 0.00 -0.88 -0.10 0.00 -1.18 0.00 0.00 32.58 30.43 1hk6 s HIS 46 CO 0.00 -0.21 1.44 1.21 -0.65 0.00 0.00 174.74 176.54 1hk6 s ASN 47 N 0.60 6.70 -0.26 9.88 3.04 -1.26 -1.04 114.94 132.60 1hk6 s ASN 47 Ca -0.11 2.56 0.16 0.00 0.04 0.00 0.00 52.86 55.51 1hk6 s ASN 47 Cb -0.14 -2.61 0.40 0.00 -1.54 0.00 0.00 41.25 37.37 1hk6 s ASN 47 CO 0.02 -0.70 1.33 0.00 -3.04 0.00 0.00 177.10 174.71 1hk6 h LEU 49 N 1.42 0.71 -0.96 0.00 5.85 -1.91 -2.54 115.31 117.89 1hk6 h LEU 49 Ca -0.35 -0.68 0.13 0.00 0.84 0.00 0.00 57.88 57.83 1hk6 h LEU 49 Cb 1.34 -0.21 -0.09 0.00 0.37 0.00 0.00 40.66 42.07 1hk6 h LEU 49 CO -0.06 1.28 0.58 0.17 -0.34 0.00 0.00 178.44 180.07 1hk6 h LEU 50 N 0.20 0.81 0.11 2.25 -0.00 -1.94 -2.03 115.31 114.72 1hk6 h LEU 50 Ca -0.06 0.06 -0.27 0.00 -0.00 0.00 0.00 57.88 57.61 1hk6 h LEU 50 Cb 1.31 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.88 1hk6 h LEU 50 CO 0.13 0.40 -1.23 0.71 -0.00 0.00 0.00 178.44 178.46 1hk6 h THR 51 N 0.88 1.49 -2.66 0.15 1.35 -1.95 -3.46 112.91 108.72 1hk6 h THR 51 Ca 0.49 -3.03 -0.59 0.00 -0.55 0.00 0.00 66.41 62.74 1hk6 h THR 51 Cb 0.56 2.92 0.08 0.00 -1.73 0.00 0.00 68.15 69.98 1hk6 h THR 51 CO -0.29 0.88 0.59 0.00 -0.25 0.00 0.00 175.52 176.45 1hk6 n ALA 52 N -2.54 1.00 -3.14 6.62 0.00 -0.77 -4.68 120.51 117.01 1hk6 n ALA 52 Ca -0.08 0.41 -0.26 0.00 0.00 0.00 0.00 53.44 53.51 1hk6 n ALA 52 Cb 1.01 -2.26 -0.16 0.00 0.00 0.00 0.00 19.45 18.04 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 -0.48 1.85 0.58 0.00 2.56 0.57 -4.97 118.70 118.81 1hk6 s GLU 53 Ca 0.68 -0.55 -0.18 0.00 0.00 0.00 0.00 54.97 54.92 1hk6 s GLU 53 Cb -0.66 -1.55 -0.04 0.00 2.00 0.00 0.00 34.13 33.89 1hk6 s GLU 53 CO 0.50 0.15 1.11 -0.46 -0.56 0.00 0.00 175.26 176.01 1hk6 s TRP 54 N 0.30 2.70 0.00 5.30 -0.00 -1.26 -2.18 118.94 123.80 1hk6 s TRP 54 Ca -0.09 1.55 0.00 0.00 -0.00 0.00 0.00 56.10 57.55 1hk6 s TRP 54 Cb -0.14 -3.22 0.00 0.00 -0.00 0.00 0.00 33.47 30.11 1hk6 s TRP 54 CO 0.03 -1.53 0.00 -1.33 -0.00 0.00 0.00 176.95 174.13 1hk6 n MET 55 N -1.65 0.00 -0.79 5.86 2.81 -1.18 -4.89 117.12 117.28 1hk6 n MET 55 Ca 0.11 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.00 1hk6 n MET 55 Cb 0.51 -0.24 0.00 0.00 -0.71 0.00 0.00 33.22 32.78 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 -1.93 0.00 -1.51 7.83 3.41 -1.21 -4.99 113.62 115.21 1hk6 n SER 56 Ca 0.00 -0.61 -0.10 0.00 -0.26 0.00 0.00 58.87 57.90 1hk6 n SER 56 Cb 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.02 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 3.82 0.00 7.33 0.00 -1.24 -3.87 120.51 123.55 1hk6 n ALA 57 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 53.44 52.26 1hk6 n ALA 57 Cb 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.26 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 -0.12 0.00 -3.64 0.00 3.41 -1.26 -1.82 113.62 110.19 1hk6 n SER 58 Ca 0.24 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.79 1hk6 n SER 58 Cb 0.95 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.83 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 0.56 -0.21 4.33 2.20 -1.25 -3.25 119.74 122.12 1hk6 s LYS 59 Ca 0.00 0.91 -0.05 0.00 -0.36 0.00 0.00 55.97 56.47 1hk6 s LYS 59 Cb 0.00 0.14 0.11 0.00 -1.51 0.00 0.00 37.83 36.57 1hk6 s LYS 59 CO 0.00 -0.11 0.37 0.42 -0.36 0.00 0.00 175.35 175.67 1hk6 s ILE 60 N 1.27 -0.58 0.01 5.43 1.01 -1.18 -3.07 121.20 124.08 1hk6 s ILE 60 Ca -0.07 0.07 -0.30 0.00 0.00 0.00 0.00 60.65 60.34 1hk6 s ILE 60 Cb -0.04 -0.70 -0.03 0.00 0.01 0.00 0.00 42.46 41.69 1hk6 s ILE 60 CO -0.15 -0.02 0.98 -0.69 0.00 0.00 0.00 174.94 175.06 1hk6 s VAL 61 N 2.54 4.83 -0.16 2.92 1.01 -0.93 -2.71 120.40 127.90 1hk6 s VAL 61 Ca 0.05 2.05 -0.30 0.00 0.00 0.00 0.00 61.98 63.79 1hk6 s VAL 61 Cb -0.14 -4.32 0.13 0.00 0.00 0.00 0.00 36.38 32.06 1hk6 s VAL 61 CO -0.13 0.17 1.05 0.00 0.00 0.00 0.00 175.10 176.18 1hk6 s ARG 63 N -1.42 4.49 0.15 0.00 1.70 -1.26 -3.35 118.95 119.26 1hk6 s ARG 63 Ca 0.01 1.09 -0.32 0.00 -0.47 0.00 0.00 55.73 56.04 1hk6 s ARG 63 Cb -0.01 -3.45 -0.12 0.00 -0.57 0.00 0.00 34.95 30.80 1hk6 s ARG 63 CO -0.01 0.02 1.75 1.33 -1.08 0.00 0.00 175.30 177.31 1hk6 n VAL 64 N 3.82 0.16 -2.39 4.99 0.24 -1.00 -4.94 118.33 119.21 1hk6 n VAL 64 Ca 0.02 -0.03 -0.34 0.00 -2.04 0.00 0.00 64.34 61.94 1hk6 n VAL 64 Cb 0.51 -1.95 -0.02 0.00 -1.47 0.00 0.00 33.84 30.92 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 1.83 2.55 0.27 7.63 0.00 -1.24 -4.27 107.32 114.09 1hk6 s GLY 65 Ca 0.79 0.70 -0.30 0.00 0.00 0.00 0.00 44.72 45.91 1hk6 s GLY 65 CO 0.36 1.04 1.22 0.61 0.00 0.00 0.00 173.10 176.32 1hk6 n GLN 66 N -1.17 1.70 -1.98 2.90 10.64 -1.26 -4.48 117.38 123.73 1hk6 n GLN 66 Ca 0.10 0.60 -0.41 0.00 -1.83 0.00 0.00 57.00 55.46 1hk6 n GLN 66 Cb 0.52 -2.13 -0.02 0.00 -0.86 0.00 0.00 30.24 27.75 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 -0.63 3.66 0.00 2.61 0.00 -1.26 -4.41 121.76 121.73 1hk6 s ALA 67 Ca 0.63 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.94 1hk6 s ALA 67 Cb -0.68 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 18.87 1hk6 s ALA 67 CO 0.56 -0.77 0.00 1.63 0.00 0.00 0.00 175.76 177.18 1hk6 n LYS 68 N 2.58 0.00 0.00 0.00 5.02 -0.98 -5.05 118.16 119.73 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 0.40 -0.29 0.00 0.00 -0.02 0.00 0.00 35.03 35.11 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 -2.24 0.00 -2.63 4.39 3.02 -1.26 -5.05 115.26 111.49 1hk6 n ASN 69 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.50 1hk6 n ASN 69 Cb 0.10 0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.34 1hk6 n ASN 69 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1hk6 n ASP 70 N 0.00 -1.54 0.00 6.41 2.03 -1.26 -4.98 116.55 117.21 1hk6 n ASP 70 Ca 0.00 -2.11 0.00 0.00 0.52 0.00 0.00 54.79 53.20 1hk6 n ASP 70 Cb 0.00 0.94 0.00 0.00 -0.72 0.00 0.00 41.12 41.34 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 -0.64 0.00 -2.75 -0.67 3.00 -1.26 -5.06 118.16 110.79 1hk6 n LYS 71 Ca -0.12 0.00 -0.06 0.00 -0.00 0.00 0.00 58.31 58.13 1hk6 n LYS 71 Cb 0.77 -0.05 0.02 0.00 0.00 0.00 0.00 35.03 35.77 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 -1.14 0.56 3.73 3.14 0.00 -1.26 -4.55 105.19 105.67 1hk6 n GLY 72 Ca 0.00 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 1hk6 n GLY 72 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hk6 s ASP 73 N -3.10 7.43 -0.02 1.61 -1.08 -1.26 -1.42 116.67 118.83 1hk6 s ASP 73 Ca 0.14 1.72 -0.24 0.00 -0.52 0.00 0.00 52.55 53.64 1hk6 s ASP 73 Cb -0.06 -2.56 -0.04 0.00 -1.46 0.00 0.00 42.92 38.80 1hk6 s ASP 73 CO 0.18 -0.04 0.73 -0.63 0.52 0.00 0.00 175.17 175.94 1hk6 s ILE 74 N -0.04 4.93 -0.02 4.11 1.01 -1.26 -4.20 121.20 125.72 1hk6 s ILE 74 Ca 0.45 1.53 0.02 0.00 0.00 0.00 0.00 60.65 62.65 1hk6 s ILE 74 Cb -0.23 -4.08 0.01 0.00 0.01 0.00 0.00 42.46 38.17 1hk6 s ILE 74 CO 0.28 0.29 -0.07 -0.63 0.00 0.00 0.00 174.94 174.82 1hk6 s ILE 75 N 0.48 0.59 -0.10 2.92 -1.09 -1.22 -3.95 121.20 118.84 1hk6 s ILE 75 Ca 0.38 -0.25 -0.03 0.00 -2.23 0.00 0.00 60.65 58.52 1hk6 s ILE 75 Cb -0.19 -0.54 0.05 0.00 -1.58 0.00 0.00 42.46 40.20 1hk6 s ILE 75 CO 0.20 0.20 0.11 -0.69 -1.23 0.00 0.00 174.94 173.53 1hk6 s VAL 76 N 0.25 -0.17 0.32 2.92 1.01 -1.26 -3.23 120.40 120.23 1hk6 s VAL 76 Ca -0.03 0.23 -0.22 0.00 0.00 0.00 0.00 61.98 61.96 1hk6 s VAL 76 Cb -0.08 -0.33 -0.10 0.00 0.00 0.00 0.00 36.38 35.87 1hk6 s VAL 76 CO 0.00 0.04 0.87 -0.89 0.00 0.00 0.00 175.10 175.12 1hk6 s THR 77 N 2.22 4.39 -0.02 3.92 2.01 -0.52 -2.56 115.64 125.08 1hk6 s THR 77 Ca 0.04 1.52 -0.02 0.00 0.31 0.00 0.00 61.69 63.54 1hk6 s THR 77 Cb -0.13 -3.84 0.01 0.00 0.01 0.00 0.00 72.50 68.54 1hk6 s THR 77 CO -0.06 0.03 0.06 0.42 -0.69 0.00 0.00 174.62 174.37 1hk6 s THR 78 N -1.75 -0.00 0.11 -0.82 -4.23 -1.00 -3.09 115.64 104.86 1hk6 s THR 78 Ca 0.51 0.00 -0.23 0.00 -1.18 0.00 0.00 61.69 60.80 1hk6 s THR 78 Cb -0.15 -0.09 -0.08 0.00 1.34 0.00 0.00 72.50 73.53 1hk6 s THR 78 CO 0.20 0.00 1.70 0.11 -0.54 0.00 0.00 174.62 176.09 1hk6 h LYS 79 N 6.08 -0.12 0.25 3.99 1.79 -1.74 -3.04 116.57 123.78 1hk6 h LYS 79 Ca -0.25 0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.22 1hk6 h LYS 79 Cb 1.21 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 1hk6 h LYS 79 CO 0.47 -0.08 -0.12 1.03 -1.08 0.00 0.00 179.45 179.67 1hk6 h SER 80 N -0.13 -0.29 0.00 0.86 0.87 -1.97 -3.44 113.55 109.45 1hk6 h SER 80 Ca 0.05 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 1hk6 h SER 80 Cb 0.20 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 1hk6 h SER 80 CO -0.13 0.03 0.00 0.61 -0.53 0.00 0.00 176.83 176.81 1hk6 n GLY 81 N -0.45 0.42 0.00 5.77 0.00 -1.16 -4.16 105.19 105.61 1hk6 n GLY 81 Ca -0.09 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 4.44 2.74 3.73 -0.02 0.00 -1.16 -4.81 105.19 110.11 1hk6 n GLY 82 Ca 0.00 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1hk6 n GLY 82 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1hk6 s LYS 83 N 4.91 4.24 0.70 1.61 2.20 -1.26 -2.38 119.74 129.75 1hk6 s LYS 83 Ca 0.00 2.33 -0.16 0.00 -0.36 0.00 0.00 55.97 57.78 1hk6 s LYS 83 Cb 0.00 -3.14 0.02 0.00 -1.51 0.00 0.00 37.83 33.20 1hk6 s LYS 83 CO 0.00 -0.53 1.22 0.20 -0.36 0.00 0.00 175.35 175.88 1hk6 s GLY 84 N 0.84 2.48 -0.08 5.54 0.00 -1.06 -4.55 107.32 110.49 1hk6 s GLY 84 Ca 0.66 0.95 -0.11 0.00 0.00 0.00 0.00 44.72 46.22 1hk6 s GLY 84 CO 0.36 1.36 0.28 -0.51 0.00 0.00 0.00 173.10 174.59 1hk6 s THR 85 N -1.84 0.02 -0.28 0.90 -4.23 -0.69 -4.63 115.64 104.88 1hk6 s THR 85 Ca 0.76 -0.14 -0.15 0.00 -1.18 0.00 0.00 61.69 60.98 1hk6 s THR 85 Cb -0.31 -0.44 0.09 0.00 1.34 0.00 0.00 72.50 73.19 1hk6 s THR 85 CO 0.43 -0.08 0.71 -0.55 -0.54 0.00 0.00 174.62 174.59 1hk6 s SER 86 N -0.24 -0.95 0.22 3.99 0.15 -1.25 -1.99 113.70 113.63 1hk6 s SER 86 Ca -0.04 1.47 0.08 0.00 0.70 0.00 0.00 55.95 58.17 1hk6 s SER 86 Cb -0.03 1.54 0.18 0.00 -1.71 0.00 0.00 66.02 65.99 1hk6 s SER 86 CO 0.01 -0.23 1.51 0.71 1.20 0.00 0.00 173.24 176.44 1hk6 h THR 87 N 5.18 1.51 -3.87 6.45 1.35 -1.94 -3.44 112.91 118.15 1hk6 h THR 87 Ca -0.28 -2.48 -0.48 0.00 -0.55 0.00 0.00 66.41 62.62 1hk6 h THR 87 Cb 1.20 2.34 -0.00 0.00 -1.73 0.00 0.00 68.15 69.96 1hk6 h THR 87 CO 0.15 0.71 0.20 0.68 -0.25 0.00 0.00 175.52 177.02 1hk6 s VAL 88 N -3.36 4.65 0.00 6.82 -7.23 -1.26 -5.09 120.40 114.93 1hk6 s VAL 88 Ca -0.01 0.96 0.00 0.00 -1.81 0.00 0.00 61.98 61.13 1hk6 s VAL 88 Cb 0.12 -3.68 -0.00 0.00 0.56 0.00 0.00 36.38 33.37 1hk6 s VAL 88 CO 0.78 -0.45 -0.02 -0.44 -0.31 0.00 0.00 175.10 174.67 1hk6 s SER 89 N -2.78 0.21 -0.10 4.85 0.01 -1.26 -4.21 113.70 110.41 1hk6 s SER 89 Ca 0.55 -0.09 -0.24 0.00 1.31 0.00 0.00 55.95 57.48 1hk6 s SER 89 Cb -0.10 -0.01 -0.03 0.00 0.21 0.00 0.00 66.02 66.09 1hk6 s SER 89 CO 0.25 -0.02 0.74 0.12 0.41 0.00 0.00 173.24 174.75 1hk6 s PHE 90 N -0.21 3.52 -1.04 2.43 5.36 -0.51 -4.99 117.98 122.54 1hk6 s PHE 90 Ca -0.01 1.24 -0.21 0.00 -0.96 0.00 0.00 56.93 56.99 1hk6 s PHE 90 Cb -0.02 -2.88 0.08 0.00 -0.34 0.00 0.00 43.02 39.86 1hk6 s PHE 90 CO -0.00 -0.03 1.41 0.21 -1.46 0.00 0.00 175.22 175.35 1hk6 s LYS 91 N 1.27 3.67 0.11 10.12 2.20 -1.26 -4.61 119.74 131.23 1hk6 s LYS 91 Ca 0.38 -1.45 -0.31 0.00 -0.36 0.00 0.00 55.97 54.22 1hk6 s LYS 91 Cb -0.17 -5.27 -0.09 0.00 -1.51 0.00 0.00 37.83 30.79 1hk6 s LYS 91 CO 0.16 -2.09 1.61 -1.17 -0.36 0.00 0.00 175.35 173.51 1hk6 s LEU 92 N 4.18 4.37 -0.03 5.43 2.96 -1.26 -3.85 118.68 130.47 1hk6 s LEU 92 Ca 0.44 2.54 -0.17 0.00 -0.22 0.00 0.00 54.13 56.72 1hk6 s LEU 92 Cb -0.01 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 43.05 1hk6 s LEU 92 CO -0.07 -0.86 0.46 -0.76 -1.32 0.00 0.00 176.35 173.80 1hk6 s LEU 93 N 1.97 4.41 0.10 -0.68 1.43 -1.16 -4.93 118.68 119.82 1hk6 s LEU 93 Ca 0.72 0.95 -0.31 0.00 -1.03 0.00 0.00 54.13 54.46 1hk6 s LEU 93 Cb -0.41 -2.67 -0.07 0.00 0.03 0.00 0.00 46.19 43.07 1hk6 s LEU 93 CO 0.32 0.20 1.27 -0.75 0.23 0.00 0.00 176.35 177.61 1hk6 s LYS 94 N -0.44 4.40 0.21 1.70 2.20 -1.26 -3.89 119.74 122.66 1hk6 s LYS 94 Ca 0.25 1.89 -0.32 0.00 -0.36 0.00 0.00 55.97 57.43 1hk6 s LYS 94 Cb -0.16 -3.30 -0.14 0.00 -1.51 0.00 0.00 37.83 32.72 1hk6 s LYS 94 CO 0.13 -0.30 1.39 -2.30 -0.36 0.00 0.00 175.35 173.91 1hk6 n PRO 95 N 3.76 1.85 -4.00 4.03 -0.02 -1.26 -4.98 135.00 134.39 1hk6 n PRO 95 Ca 0.09 0.66 -0.35 0.00 -2.02 0.00 0.00 63.50 61.89 1hk6 n PRO 95 Cb 0.45 -2.31 -0.10 0.00 -0.02 0.00 0.00 33.50 31.52 1hk6 n PRO 95 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1hk6 s GLU 96 N -0.14 3.97 0.00 -0.52 4.04 -1.26 -5.20 118.70 119.59 1hk6 s GLU 96 Ca 0.72 -0.35 0.05 0.00 0.04 0.00 0.00 54.97 55.42 1hk6 s GLU 96 Cb -0.71 -3.22 0.27 0.00 0.02 0.00 0.00 34.13 30.49 1hk6 s GLU 96 CO 0.48 0.26 0.74 1.63 -1.84 0.00 0.00 175.26 176.53