#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 4.17 0.29 -0.41 -2.45 -1.26 -4.92 119.30 114.72 1hk6 s MET 4 Ca 0.00 2.48 -0.30 0.00 -1.25 0.00 0.00 55.69 56.62 1hk6 s MET 4 Cb 0.00 -3.06 -0.12 0.00 1.25 0.00 0.00 34.83 32.90 1hk6 s MET 4 CO 0.00 -0.57 1.61 0.54 1.05 0.00 0.00 175.02 177.65 1hk6 n ARG 5 N 2.42 2.73 -2.00 4.11 5.12 -1.26 -4.93 116.66 122.85 1hk6 n ARG 5 Ca 0.08 0.97 -0.41 0.00 -1.93 0.00 0.00 57.85 56.56 1hk6 n ARG 5 Cb 0.38 -2.76 -0.02 0.00 -1.16 0.00 0.00 32.46 28.90 1hk6 n ARG 5 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1hk6 s GLN 6 N -0.41 4.26 0.48 5.56 1.11 -1.26 -4.65 119.66 124.75 1hk6 s GLN 6 Ca 0.65 2.32 -0.24 0.00 0.01 0.00 0.00 55.36 58.10 1hk6 s GLN 6 Cb -0.49 -3.08 -0.07 0.00 -1.01 0.00 0.00 33.01 28.35 1hk6 s GLN 6 CO 0.47 -0.39 1.36 -1.25 0.01 0.00 0.00 175.29 175.49 1hk6 s PRO 7 N -0.82 3.55 0.19 2.91 0.04 -1.26 -4.88 135.00 134.73 1hk6 s PRO 7 Ca 0.57 2.26 -0.33 0.00 0.04 0.00 0.00 61.00 63.54 1hk6 s PRO 7 Cb -0.42 -2.52 -0.15 0.00 0.04 0.00 0.00 34.50 31.46 1hk6 s PRO 7 CO 0.47 -0.87 1.34 -2.30 0.04 0.00 0.00 177.00 175.68 1hk6 n PRO 8 N -0.45 1.64 -4.03 0.56 -0.02 -1.24 -4.75 135.00 126.72 1hk6 n PRO 8 Ca 0.07 0.59 -0.31 0.00 -2.02 0.00 0.00 63.50 61.83 1hk6 n PRO 8 Cb 0.44 -2.20 -0.16 0.00 -0.02 0.00 0.00 33.50 31.55 1hk6 n PRO 8 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1hk6 s LEU 9 N 0.44 2.00 0.05 2.45 0.20 -0.45 -1.00 118.68 122.37 1hk6 s LEU 9 Ca 0.73 -0.67 -0.29 0.00 0.69 0.00 0.00 54.13 54.60 1hk6 s LEU 9 Cb -0.76 -1.26 -0.05 0.00 -0.43 0.00 0.00 46.19 43.70 1hk6 s LEU 9 CO 0.49 -0.08 0.91 -0.69 -0.29 0.00 0.00 176.35 176.69 1hk6 s VAL 10 N 1.41 4.71 -0.32 1.68 1.01 -0.89 -0.07 120.40 127.93 1hk6 s VAL 10 Ca 0.03 1.94 0.17 0.00 0.00 0.00 0.00 61.98 64.12 1hk6 s VAL 10 Cb -0.14 -4.26 0.45 0.00 0.00 0.00 0.00 36.38 32.43 1hk6 s VAL 10 CO -0.10 0.27 1.18 0.35 0.00 0.00 0.00 175.10 176.79 1hk6 n THR 11 N 3.24 0.73 0.00 3.92 -2.24 0.57 -2.88 114.28 117.62 1hk6 n THR 11 Ca 0.02 -2.38 0.00 0.00 -2.27 0.00 0.00 64.05 59.42 1hk6 n THR 11 Cb 0.50 0.99 0.00 0.00 -2.10 0.00 0.00 70.33 69.72 1hk6 n THR 11 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hk6 n GLY 12 N -0.58 1.29 3.64 3.38 0.00 -0.27 -4.76 105.19 107.90 1hk6 n GLY 12 Ca 0.02 -0.22 -0.07 0.00 0.00 0.00 0.00 46.02 45.75 1hk6 n GLY 12 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1hk6 s ILE 13 N -1.75 0.00 -0.01 -0.61 2.07 -1.26 -2.42 121.20 117.22 1hk6 s ILE 13 Ca 0.00 0.00 -0.22 0.00 -1.41 0.00 0.00 60.65 59.02 1hk6 s ILE 13 Cb 0.00 -1.00 -0.13 0.00 0.13 0.00 0.00 42.46 41.46 1hk6 s ILE 13 CO 0.00 0.00 0.96 -1.28 -1.91 0.00 0.00 174.94 172.71 1hk6 h SER 14 N 6.82 -0.54 -3.60 4.50 0.87 -1.95 -3.42 113.55 116.23 1hk6 h SER 14 Ca -0.30 -0.06 -0.64 0.00 -1.23 0.00 0.00 61.79 59.56 1hk6 h SER 14 Cb 1.22 0.14 -0.15 0.00 -0.44 0.00 0.00 62.40 63.18 1hk6 h SER 14 CO 0.16 -0.12 -0.01 -2.16 -0.53 0.00 0.00 176.83 174.17 1hk6 s PRO 15 N -4.12 3.66 -0.34 2.24 0.04 -1.26 -4.93 135.00 130.28 1hk6 s PRO 15 Ca -0.12 -0.09 0.05 0.00 0.04 0.00 0.00 61.00 60.88 1hk6 s PRO 15 Cb 0.01 -3.80 0.60 0.00 0.04 0.00 0.00 34.50 31.35 1hk6 s PRO 15 CO 0.40 -0.65 1.73 0.27 0.04 0.00 0.00 177.00 178.79 1hk6 n ASN 16 N 5.79 3.95 -3.65 6.66 2.04 -1.26 -4.84 115.26 123.95 1hk6 n ASN 16 Ca -0.04 -3.24 0.02 0.00 -0.44 0.00 0.00 54.58 50.88 1hk6 n ASN 16 Cb 0.49 -0.76 -0.06 0.00 -2.53 0.00 0.00 39.78 36.92 1hk6 n ASN 16 CO 0.00 0.00 0.00 -1.83 -0.44 0.00 0.00 177.26 174.99 1hk6 s GLU 17 N -2.73 0.01 0.00 -3.83 -1.05 -1.26 -4.25 118.70 105.59 1hk6 s GLU 17 Ca 0.48 0.02 0.00 0.00 -0.15 0.00 0.00 54.97 55.32 1hk6 s GLU 17 Cb 0.40 0.00 0.00 0.00 -0.44 0.00 0.00 34.13 34.09 1hk6 s GLU 17 CO 0.10 -0.00 0.00 0.41 0.95 0.00 0.00 175.26 176.72 1hk6 n GLY 18 N 2.87 2.15 3.43 -3.83 0.00 -1.01 -4.93 105.19 103.87 1hk6 n GLY 18 Ca -0.16 -0.25 -0.32 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.41 0.00 -0.34 -0.61 -5.35 -1.25 -1.99 119.36 109.42 1hk6 n ILE 19 Ca 0.00 -0.20 0.22 0.00 -0.27 0.00 0.00 62.75 62.49 1hk6 n ILE 19 Cb 0.00 -0.71 0.47 0.00 -1.74 0.00 0.00 39.64 37.66 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 -1.82 0.43 0.00 6.28 0.11 -1.74 0.28 132.00 135.53 1hk6 h PRO 20 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1hk6 h PRO 20 Cb 1.30 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1hk6 h PRO 20 CO 0.37 0.28 0.00 -1.49 -0.21 0.00 0.00 178.00 176.96 1hk6 h TRP 21 N 0.44 0.00 -2.52 0.65 4.06 -1.86 0.14 115.95 116.85 1hk6 h TRP 21 Ca 0.63 0.00 -0.53 0.00 2.06 0.00 0.00 58.89 61.06 1hk6 h TRP 21 Cb 1.48 0.00 0.04 0.00 -1.00 0.00 0.00 29.16 29.68 1hk6 h TRP 21 CO -0.00 0.00 1.12 0.99 -3.56 0.00 0.00 178.44 176.98 1hk6 s THR 22 N -3.18 2.60 -0.03 1.49 2.01 0.98 -4.61 115.64 114.89 1hk6 s THR 22 Ca 0.09 0.07 -0.30 0.00 0.31 0.00 0.00 61.69 61.85 1hk6 s THR 22 Cb 0.11 -3.04 -0.03 0.00 0.01 0.00 0.00 72.50 69.54 1hk6 s THR 22 CO 0.57 -0.00 1.11 -1.59 -0.69 0.00 0.00 174.62 174.02 1hk6 s LYS 23 N 2.90 4.42 -0.19 4.92 -2.85 -1.26 -2.56 119.74 125.12 1hk6 s LYS 23 Ca 0.81 1.57 -0.04 0.00 -1.00 0.00 0.00 55.97 57.32 1hk6 s LYS 23 Cb -0.45 -3.50 -0.02 0.00 -2.06 0.00 0.00 37.83 31.80 1hk6 s LYS 23 CO 0.37 -0.30 -0.02 0.14 0.10 0.00 0.00 175.35 175.63 1hk6 s VAL 24 N 1.72 3.80 -0.11 1.79 -7.23 -0.44 -4.88 120.40 115.05 1hk6 s VAL 24 Ca 0.54 -0.37 -0.30 0.00 -1.81 0.00 0.00 61.98 60.04 1hk6 s VAL 24 Cb -0.23 -2.70 -0.03 0.00 0.56 0.00 0.00 36.38 33.97 1hk6 s VAL 24 CO 0.23 0.45 1.38 -0.89 -0.31 0.00 0.00 175.10 175.97 1hk6 s THR 25 N 0.87 4.02 0.20 5.32 2.01 -1.26 -3.78 115.64 123.01 1hk6 s THR 25 Ca -0.00 1.26 -0.29 0.00 0.31 0.00 0.00 61.69 62.97 1hk6 s THR 25 Cb -0.14 -3.81 -0.08 0.00 0.01 0.00 0.00 72.50 68.47 1hk6 s THR 25 CO 0.02 -0.09 0.91 -0.63 -0.69 0.00 0.00 174.62 174.13 1hk6 s ILE 26 N 3.46 4.21 -0.12 1.82 1.01 -0.48 -3.73 121.20 127.37 1hk6 s ILE 26 Ca 0.61 2.00 -0.06 0.00 0.00 0.00 0.00 60.65 63.20 1hk6 s ILE 26 Cb -0.26 -4.28 0.05 0.00 0.01 0.00 0.00 42.46 37.98 1hk6 s ILE 26 CO 0.21 0.47 0.28 -0.60 0.00 0.00 0.00 174.94 175.29 1hk6 s ARG 27 N -0.96 0.22 0.00 2.79 6.06 -1.01 -2.89 118.95 123.15 1hk6 s ARG 27 Ca 0.41 0.63 0.00 0.00 -2.50 0.00 0.00 55.73 54.27 1hk6 s ARG 27 Cb -0.25 -0.08 0.00 0.00 0.06 0.00 0.00 34.95 34.69 1hk6 s ARG 27 CO 0.30 -0.19 0.00 0.41 -2.50 0.00 0.00 175.30 173.32 1hk6 n GLY 28 N 4.54 2.08 3.22 8.12 0.00 -1.26 -0.31 105.19 121.58 1hk6 n GLY 28 Ca -0.20 0.08 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 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 4.46 0.38 -1.31 1.61 2.02 0.89 -4.75 118.70 122.00 1hk6 s GLU 29 Ca 0.00 0.53 -0.08 0.00 0.02 0.00 0.00 54.97 55.43 1hk6 s GLU 29 Cb 0.00 0.13 0.01 0.00 0.10 0.00 0.00 34.13 34.37 1hk6 s GLU 29 CO 0.00 -0.08 1.14 0.09 0.02 0.00 0.00 175.26 176.44 1hk6 n ASN 30 N 3.23 -6.02 -2.62 -0.19 3.02 -1.22 -1.35 115.26 110.11 1hk6 n ASN 30 Ca -0.16 -0.53 -0.26 0.00 -0.03 0.00 0.00 54.58 53.61 1hk6 n ASN 30 Cb 0.57 -4.91 -0.09 0.00 -0.61 0.00 0.00 39.78 34.75 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 -4.83 6.71 -0.27 3.41 4.32 -1.24 -3.62 117.00 121.48 1hk6 n LEU 31 Ca -0.01 -3.92 0.00 0.00 -0.02 0.00 0.00 56.01 52.06 1hk6 n LEU 31 Cb 0.56 -1.39 0.00 0.00 -1.62 0.00 0.00 43.42 40.98 1hk6 n LEU 31 CO 0.63 1.84 -0.06 0.61 -1.22 0.00 0.00 177.39 179.18 1hk6 n GLY 32 N 2.15 -3.57 2.39 -0.72 0.00 -1.26 -4.67 105.19 99.51 1hk6 n GLY 32 Ca 0.55 -0.89 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.33 3.49 0.00 2.61 -2.24 -1.26 -4.05 114.28 112.49 1hk6 n THR 33 Ca 0.00 -3.02 0.00 0.00 -2.27 0.00 0.00 64.05 58.76 1hk6 n THR 33 Cb 0.00 -1.23 0.00 0.00 -2.10 0.00 0.00 70.33 67.00 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 -0.55 1.87 0.17 3.38 0.00 -1.26 -4.98 105.19 103.82 1hk6 n GLY 34 Ca 0.55 -0.07 -0.05 0.00 0.00 0.00 0.00 46.02 46.45 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 0.30 -0.27 1.61 0.11 -1.96 -2.09 132.00 129.70 1hk6 h PRO 35 Ca 0.00 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.03 1hk6 h PRO 35 Cb 0.00 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.03 1hk6 h PRO 35 CO 0.00 0.20 -0.12 1.79 -0.21 0.00 0.00 178.00 179.66 1hk6 h THR 36 N 0.31 1.22 -0.84 -1.15 1.35 -2.01 -2.92 112.91 108.88 1hk6 h THR 36 Ca 0.18 -0.97 0.16 0.00 -0.55 0.00 0.00 66.41 65.24 1hk6 h THR 36 Cb 0.16 1.15 -0.10 0.00 -1.73 0.00 0.00 68.15 67.63 1hk6 h THR 36 CO -0.18 0.31 0.41 0.44 -0.25 0.00 0.00 175.52 176.25 1hk6 h ASP 37 N 0.42 0.45 -2.79 5.36 5.19 -1.76 -3.40 116.42 119.89 1hk6 h ASP 37 Ca 0.08 0.11 -0.53 0.00 -0.62 0.00 0.00 57.03 56.06 1hk6 h ASP 37 Cb 0.46 0.04 0.02 0.00 0.18 0.00 0.00 39.33 40.04 1hk6 h ASP 37 CO 0.03 0.16 0.91 -0.22 -3.12 0.00 0.00 179.24 177.00 1hk6 s LEU 38 N -10.40 4.36 0.00 1.55 0.20 -1.10 -2.44 118.68 110.85 1hk6 s LEU 38 Ca -0.12 2.46 0.00 0.00 0.69 0.00 0.00 54.13 57.16 1hk6 s LEU 38 Cb 0.22 -3.57 0.00 0.00 -0.43 0.00 0.00 46.19 42.41 1hk6 s LEU 38 CO 0.78 -0.82 0.00 2.30 -0.29 0.00 0.00 176.35 178.32 1hk6 n ILE 39 N 4.40 0.00 -3.89 6.68 -5.35 -1.24 -5.01 119.36 114.96 1hk6 n ILE 39 Ca 0.14 0.00 -0.36 0.00 -0.27 0.00 0.00 62.75 62.26 1hk6 n ILE 39 Cb 0.41 -0.45 -0.07 0.00 -1.74 0.00 0.00 39.64 37.78 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 -4.13 2.08 -0.14 3.28 0.00 -1.25 -5.00 107.32 102.17 1hk6 s GLY 40 Ca 0.00 -0.68 -0.07 0.00 0.00 0.00 0.00 44.72 43.98 1hk6 s GLY 40 CO 0.00 -0.22 0.32 -2.27 0.00 0.00 0.00 173.10 170.93 1hk6 s LEU 41 N -0.53 -0.02 -0.18 0.66 1.98 -1.26 -1.17 118.68 118.16 1hk6 s LEU 41 Ca 0.12 0.71 -0.20 0.00 -2.89 0.00 0.00 54.13 51.87 1hk6 s LEU 41 Cb -0.12 0.99 0.05 0.00 0.66 0.00 0.00 46.19 47.77 1hk6 s LEU 41 CO 0.02 -0.20 0.55 0.42 -1.89 0.00 0.00 176.35 175.25 1hk6 s THR 42 N 1.71 0.00 -0.09 3.68 -4.23 -1.16 -2.75 115.64 112.80 1hk6 s THR 42 Ca -0.06 -0.04 0.01 0.00 -1.18 0.00 0.00 61.69 60.42 1hk6 s THR 42 Cb -0.10 -0.78 0.02 0.00 1.34 0.00 0.00 72.50 72.98 1hk6 s THR 42 CO -0.10 -0.02 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.24 1hk6 s ILE 43 N 0.02 0.99 -1.48 2.99 1.01 0.42 -2.55 121.20 122.61 1hk6 s ILE 43 Ca -0.02 -0.32 -0.12 0.00 0.00 0.00 0.00 60.65 60.20 1hk6 s ILE 43 Cb -0.04 -0.98 0.06 0.00 0.01 0.00 0.00 42.46 41.52 1hk6 s ILE 43 CO 0.02 0.35 1.00 0.00 0.00 0.00 0.00 174.94 176.30 1hk6 n GLY 45 N -1.75 2.07 3.71 0.00 0.00 -1.26 -3.09 105.19 104.87 1hk6 n GLY 45 Ca 0.02 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1hk6 n GLY 45 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1hk6 s HIS 46 N -0.01 3.36 0.32 1.61 5.65 -0.28 -4.99 115.29 120.94 1hk6 s HIS 46 Ca 0.00 1.18 -0.29 0.00 0.25 0.00 0.00 55.06 56.20 1hk6 s HIS 46 Cb 0.00 -3.51 -0.10 0.00 -1.18 0.00 0.00 32.58 27.79 1hk6 s HIS 46 CO 0.00 -1.65 1.20 -0.80 -0.65 0.00 0.00 174.74 172.84 1hk6 s ASN 47 N 1.11 6.96 -0.30 9.88 -0.87 -1.26 -0.43 114.94 130.02 1hk6 s ASN 47 Ca 0.61 2.48 0.18 0.00 -1.57 0.00 0.00 52.86 54.55 1hk6 s ASN 47 Cb -0.32 -2.64 0.46 0.00 -0.02 0.00 0.00 41.25 38.73 1hk6 s ASN 47 CO 0.29 -0.38 1.33 0.00 -2.57 0.00 0.00 177.10 175.77 1hk6 h LEU 49 N 1.80 0.60 -1.14 0.00 5.85 -1.92 -1.81 115.31 118.68 1hk6 h LEU 49 Ca -0.30 -0.60 0.09 0.00 0.84 0.00 0.00 57.88 57.91 1hk6 h LEU 49 Cb 1.28 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 42.07 1hk6 h LEU 49 CO -0.00 1.09 0.59 0.17 -0.34 0.00 0.00 178.44 179.95 1hk6 h LEU 50 N 0.14 0.87 0.16 2.25 -0.00 -1.93 -2.31 115.31 114.48 1hk6 h LEU 50 Ca -0.01 0.02 -0.29 0.00 -0.00 0.00 0.00 57.88 57.60 1hk6 h LEU 50 Cb 1.03 -0.16 0.01 0.00 -0.00 0.00 0.00 40.66 41.54 1hk6 h LEU 50 CO 0.09 0.53 -1.30 0.71 -0.00 0.00 0.00 178.44 178.46 1hk6 h THR 51 N 0.97 1.44 -3.01 0.15 1.35 -1.94 -3.45 112.91 108.41 1hk6 h THR 51 Ca 0.42 -2.94 -0.53 0.00 -0.55 0.00 0.00 66.41 62.81 1hk6 h THR 51 Cb 0.33 2.96 0.07 0.00 -1.73 0.00 0.00 68.15 69.78 1hk6 h THR 51 CO -0.18 0.87 0.93 0.00 -0.25 0.00 0.00 175.52 176.89 1hk6 n ALA 52 N -2.59 2.64 -3.61 6.62 0.00 -0.68 -4.58 120.51 118.32 1hk6 n ALA 52 Ca -0.11 0.39 -0.27 0.00 0.00 0.00 0.00 53.44 53.45 1hk6 n ALA 52 Cb 1.04 -2.49 -0.17 0.00 0.00 0.00 0.00 19.45 17.84 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 0.19 1.96 0.61 0.00 2.12 0.45 -4.93 118.70 119.10 1hk6 s GLU 53 Ca 0.69 -0.48 -0.17 0.00 0.36 0.00 0.00 54.97 55.37 1hk6 s GLU 53 Cb -0.50 -1.69 -0.02 0.00 0.26 0.00 0.00 34.13 32.18 1hk6 s GLU 53 CO 0.42 -0.05 1.12 -0.46 -0.54 0.00 0.00 175.26 175.75 1hk6 s TRP 54 N 0.95 2.62 0.00 5.30 -0.00 -1.26 -2.70 118.94 123.85 1hk6 s TRP 54 Ca -0.08 1.55 0.00 0.00 -0.00 0.00 0.00 56.10 57.57 1hk6 s TRP 54 Cb -0.15 -3.23 0.00 0.00 -0.00 0.00 0.00 33.47 30.09 1hk6 s TRP 54 CO -0.00 -1.68 0.00 -1.33 -0.00 0.00 0.00 176.95 173.94 1hk6 n MET 55 N -1.95 0.00 -3.79 5.86 2.81 -1.21 -4.94 117.12 113.90 1hk6 n MET 55 Ca 0.11 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.98 1hk6 n MET 55 Cb 0.51 -0.17 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 -1.54 1.51 0.00 0.00 175.97 175.94 1hk6 s SER 56 N -2.96 -0.08 0.00 7.83 1.04 -1.16 -4.99 113.70 113.38 1hk6 s SER 56 Ca 0.00 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.00 1hk6 s SER 56 Cb 0.00 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1hk6 s SER 56 CO 0.00 -0.78 1.47 0.00 0.98 0.00 0.00 173.24 174.91 1hk6 n ALA 57 N -0.58 3.27 -1.35 5.32 0.00 -1.26 -2.81 120.51 123.11 1hk6 n ALA 57 Ca -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.39 1hk6 n ALA 57 Cb 0.61 -1.11 -0.01 0.00 0.00 0.00 0.00 19.45 18.94 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 1.31 -0.07 -3.63 0.00 3.41 -1.26 -3.44 113.62 109.93 1hk6 n SER 58 Ca 0.00 -0.24 -0.04 0.00 -0.26 0.00 0.00 58.87 58.33 1hk6 n SER 58 Cb 0.42 0.02 -0.06 0.00 -0.26 0.00 0.00 64.21 64.33 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 0.51 -0.20 4.33 2.20 -1.12 -4.05 119.74 121.40 1hk6 s LYS 59 Ca 0.00 0.92 -0.07 0.00 -0.36 0.00 0.00 55.97 56.47 1hk6 s LYS 59 Cb 0.00 0.17 0.09 0.00 -1.51 0.00 0.00 37.83 36.58 1hk6 s LYS 59 CO 0.00 -0.11 0.42 0.42 -0.36 0.00 0.00 175.35 175.71 1hk6 s ILE 60 N 1.61 -0.65 0.01 5.43 1.01 -1.14 -3.01 121.20 124.46 1hk6 s ILE 60 Ca -0.09 0.16 -0.23 0.00 0.00 0.00 0.00 60.65 60.49 1hk6 s ILE 60 Cb -0.05 -0.68 -0.05 0.00 0.01 0.00 0.00 42.46 41.69 1hk6 s ILE 60 CO -0.17 0.06 0.70 -0.69 0.00 0.00 0.00 174.94 174.84 1hk6 s VAL 61 N 2.61 4.83 -0.21 2.92 1.01 -1.10 -1.38 120.40 129.09 1hk6 s VAL 61 Ca -0.01 1.48 -0.28 0.00 0.00 0.00 0.00 61.98 63.16 1hk6 s VAL 61 Cb -0.12 -4.04 0.13 0.00 0.00 0.00 0.00 36.38 32.35 1hk6 s VAL 61 CO -0.13 0.37 1.05 0.00 0.00 0.00 0.00 175.10 176.39 1hk6 s ARG 63 N -0.61 4.50 0.00 0.00 0.52 -1.26 -1.33 118.95 120.77 1hk6 s ARG 63 Ca 0.01 1.10 0.00 0.00 -0.52 0.00 0.00 55.73 56.32 1hk6 s ARG 63 Cb -0.02 -3.42 0.00 0.00 0.52 0.00 0.00 34.95 32.03 1hk6 s ARG 63 CO -0.02 0.11 0.00 1.55 0.02 0.00 0.00 175.30 176.96 1hk6 n VAL 64 N 3.46 0.00 0.00 3.52 3.14 -1.06 -4.92 118.33 122.47 1hk6 n VAL 64 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1hk6 n VAL 64 Cb 0.51 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.29 1hk6 n VAL 64 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1hk6 n GLY 65 N 1.94 -0.75 3.79 7.55 0.00 0.03 -4.71 105.19 113.05 1hk6 n GLY 65 Ca 0.00 -0.22 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.11 4.33 -1.37 1.61 -2.07 -1.26 -4.15 119.66 115.63 1hk6 s GLN 66 Ca 0.00 0.85 -0.13 0.00 -1.82 0.00 0.00 55.36 54.26 1hk6 s GLN 66 Cb 0.00 -3.28 -0.03 0.00 -1.09 0.00 0.00 33.01 28.61 1hk6 s GLN 66 CO 0.00 0.54 2.39 0.00 -1.32 0.00 0.00 175.29 176.90 1hk6 n ALA 67 N 2.00 5.78 -0.28 2.60 0.00 -1.26 -4.70 120.51 124.65 1hk6 n ALA 67 Ca -0.08 -3.54 0.06 0.00 0.00 0.00 0.00 53.44 49.88 1hk6 n ALA 67 Cb 0.50 -3.46 0.21 0.00 0.00 0.00 0.00 19.45 16.70 1hk6 n ALA 67 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1hk6 h LYS 68 N 5.98 0.52 0.00 0.00 1.57 -1.89 -3.39 116.57 119.37 1hk6 h LYS 68 Ca 0.63 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.38 1hk6 h LYS 68 Cb 0.50 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1hk6 h LYS 68 CO 1.83 0.35 0.00 0.09 -0.57 0.00 0.00 179.45 181.15 1hk6 n ASN 69 N -4.93 0.00 -2.27 0.86 3.02 -1.25 -5.03 115.26 105.66 1hk6 n ASN 69 Ca 0.16 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.69 1hk6 n ASN 69 Cb 0.43 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.69 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 -1.17 0.00 6.41 5.75 -1.26 -4.97 116.55 121.31 1hk6 n ASP 70 Ca 0.00 -1.97 0.00 0.00 -0.01 0.00 0.00 54.79 52.81 1hk6 n ASP 70 Cb 0.00 0.53 0.00 0.00 -1.03 0.00 0.00 41.12 40.62 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 -1.13 0.00 -0.25 0.11 4.81 -1.26 -5.06 118.16 115.38 1hk6 n LYS 71 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.28 1hk6 n LYS 71 Cb 0.79 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.84 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 -1.04 0.62 3.72 3.14 0.00 -1.26 -4.39 105.19 105.98 1hk6 n GLY 72 Ca 0.00 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.47 7.05 0.05 1.61 1.01 -1.26 -3.45 116.67 120.20 1hk6 s ASP 73 Ca 0.00 2.10 -0.24 0.00 0.71 0.00 0.00 52.55 55.12 1hk6 s ASP 73 Cb 0.00 -2.58 -0.06 0.00 1.01 0.00 0.00 42.92 41.29 1hk6 s ASP 73 CO 0.00 -0.47 0.73 -0.63 0.21 0.00 0.00 175.17 175.00 1hk6 s ILE 74 N 0.86 4.74 -0.02 0.77 1.01 -1.26 -3.48 121.20 123.81 1hk6 s ILE 74 Ca 0.58 1.55 0.03 0.00 0.00 0.00 0.00 60.65 62.81 1hk6 s ILE 74 Cb -0.31 -4.08 -0.00 0.00 0.01 0.00 0.00 42.46 38.08 1hk6 s ILE 74 CO 0.31 0.39 -0.10 -0.63 0.00 0.00 0.00 174.94 174.91 1hk6 s ILE 75 N -0.20 0.86 -0.09 2.92 -1.09 -1.05 -3.50 121.20 119.05 1hk6 s ILE 75 Ca 0.37 -0.42 -0.03 0.00 -2.23 0.00 0.00 60.65 58.34 1hk6 s ILE 75 Cb -0.20 -0.75 0.04 0.00 -1.58 0.00 0.00 42.46 39.98 1hk6 s ILE 75 CO 0.22 0.26 0.11 -0.69 -1.23 0.00 0.00 174.94 173.61 1hk6 s VAL 76 N 0.05 -0.17 0.27 2.92 1.01 -1.23 -3.01 120.40 120.24 1hk6 s VAL 76 Ca -0.01 0.28 -0.17 0.00 0.00 0.00 0.00 61.98 62.08 1hk6 s VAL 76 Cb -0.07 -0.30 -0.09 0.00 0.00 0.00 0.00 36.38 35.92 1hk6 s VAL 76 CO 0.00 0.07 0.72 -0.89 0.00 0.00 0.00 175.10 175.01 1hk6 s THR 77 N 2.22 4.64 0.01 3.92 2.01 -0.32 -0.20 115.64 127.92 1hk6 s THR 77 Ca 0.04 1.08 0.00 0.00 0.31 0.00 0.00 61.69 63.12 1hk6 s THR 77 Cb -0.13 -3.73 -0.01 0.00 0.01 0.00 0.00 72.50 68.65 1hk6 s THR 77 CO -0.05 0.01 -0.02 0.42 -0.69 0.00 0.00 174.62 174.29 1hk6 s THR 78 N -1.75 0.10 0.12 -0.82 -4.23 -1.05 -3.59 115.64 104.42 1hk6 s THR 78 Ca 0.48 -0.36 -0.27 0.00 -1.18 0.00 0.00 61.69 60.36 1hk6 s THR 78 Cb -0.13 -0.15 -0.07 0.00 1.34 0.00 0.00 72.50 73.49 1hk6 s THR 78 CO 0.19 -0.17 1.62 0.11 -0.54 0.00 0.00 174.62 175.84 1hk6 h LYS 79 N 5.58 -0.47 0.34 3.99 1.79 -1.84 -3.15 116.57 122.81 1hk6 h LYS 79 Ca -0.27 0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.21 1hk6 h LYS 79 Cb 1.21 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.97 1hk6 h LYS 79 CO 0.47 -0.31 -0.16 1.03 -1.08 0.00 0.00 179.45 179.40 1hk6 h SER 80 N -0.48 -0.39 0.00 0.86 0.87 -1.97 -3.44 113.55 108.99 1hk6 h SER 80 Ca 0.05 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 1hk6 h SER 80 Cb 0.54 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 1hk6 h SER 80 CO -0.22 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.70 1hk6 n GLY 81 N -0.22 0.34 0.00 5.77 0.00 -1.19 -4.75 105.19 105.14 1hk6 n GLY 81 Ca -0.09 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 4.32 3.01 3.67 -0.02 0.00 -1.22 -4.72 105.19 110.22 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 4.73 4.18 -0.02 1.61 2.20 -1.26 -2.53 119.74 128.64 1hk6 s LYS 83 Ca 0.00 2.31 -0.30 0.00 -0.36 0.00 0.00 55.97 57.62 1hk6 s LYS 83 Cb 0.00 -3.91 -0.04 0.00 -1.51 0.00 0.00 37.83 32.37 1hk6 s LYS 83 CO 0.00 -0.83 1.18 0.20 -0.36 0.00 0.00 175.35 175.54 1hk6 s GLY 84 N 3.29 2.24 -0.04 5.54 0.00 0.71 -4.67 107.32 114.40 1hk6 s GLY 84 Ca 0.76 0.67 -0.05 0.00 0.00 0.00 0.00 44.72 46.10 1hk6 s GLY 84 CO 0.33 2.13 0.19 -0.51 0.00 0.00 0.00 173.10 175.23 1hk6 s THR 85 N 1.83 5.43 -0.07 0.90 -4.23 -0.17 -3.51 115.64 115.82 1hk6 s THR 85 Ca 0.56 0.02 0.01 0.00 -1.18 0.00 0.00 61.69 61.10 1hk6 s THR 85 Cb -0.26 -3.51 0.02 0.00 1.34 0.00 0.00 72.50 70.10 1hk6 s THR 85 CO 0.24 0.42 -0.07 -0.94 -0.54 0.00 0.00 174.62 173.73 1hk6 s SER 86 N -1.63 1.49 -0.34 3.99 1.04 -1.23 -2.09 113.70 114.94 1hk6 s SER 86 Ca 0.24 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.47 1hk6 s SER 86 Cb -0.13 -0.63 0.32 0.00 0.10 0.00 0.00 66.02 65.68 1hk6 s SER 86 CO 0.14 -0.06 1.82 0.35 0.98 0.00 0.00 173.24 176.47 1hk6 n THR 87 N 4.28 2.67 -3.74 2.02 -2.24 -1.14 -4.70 114.28 111.43 1hk6 n THR 87 Ca -0.20 -1.58 -0.11 0.00 -2.27 0.00 0.00 64.05 59.89 1hk6 n THR 87 Cb 0.51 -1.04 -0.07 0.00 -2.10 0.00 0.00 70.33 67.63 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 -2.43 0.09 -0.01 2.28 -7.23 -1.26 -4.98 120.40 106.84 1hk6 s VAL 88 Ca 0.36 -0.70 0.00 0.00 -1.81 0.00 0.00 61.98 59.83 1hk6 s VAL 88 Cb 0.29 -1.03 0.01 0.00 0.56 0.00 0.00 36.38 36.22 1hk6 s VAL 88 CO 0.02 -0.39 -0.00 -0.94 -0.31 0.00 0.00 175.10 173.48 1hk6 s SER 89 N -2.28 0.26 -0.03 4.85 1.04 -1.26 -4.20 113.70 112.08 1hk6 s SER 89 Ca -0.02 -0.02 -0.24 0.00 0.48 0.00 0.00 55.95 56.15 1hk6 s SER 89 Cb 0.00 -0.10 -0.04 0.00 0.10 0.00 0.00 66.02 65.98 1hk6 s SER 89 CO -0.06 -0.05 0.72 0.12 0.98 0.00 0.00 173.24 174.96 1hk6 s PHE 90 N 0.53 3.63 -0.14 5.02 5.36 -1.22 -5.02 117.98 126.13 1hk6 s PHE 90 Ca -0.05 1.32 -0.26 0.00 -0.96 0.00 0.00 56.93 56.98 1hk6 s PHE 90 Cb -0.08 -2.81 -0.02 0.00 -0.34 0.00 0.00 43.02 39.78 1hk6 s PHE 90 CO -0.01 0.15 0.84 0.21 -1.46 0.00 0.00 175.22 174.95 1hk6 s LYS 91 N 0.54 4.34 -0.14 10.12 2.20 -1.26 -4.76 119.74 130.77 1hk6 s LYS 91 Ca 0.38 1.06 -0.20 0.00 -0.36 0.00 0.00 55.97 56.85 1hk6 s LYS 91 Cb -0.19 -3.55 -0.04 0.00 -1.51 0.00 0.00 37.83 32.55 1hk6 s LYS 91 CO 0.20 -0.27 0.57 -0.51 -0.36 0.00 0.00 175.35 174.97 1hk6 s LEU 92 N 1.94 4.24 0.01 5.43 1.43 -1.26 -2.40 118.68 128.07 1hk6 s LEU 92 Ca 0.40 0.89 -0.16 0.00 -1.03 0.00 0.00 54.13 54.23 1hk6 s LEU 92 Cb -0.17 -2.83 -0.06 0.00 0.03 0.00 0.00 46.19 43.16 1hk6 s LEU 92 CO 0.14 -0.11 0.44 -0.76 0.23 0.00 0.00 176.35 176.29 1hk6 s LEU 93 N 1.10 4.49 0.10 1.79 1.43 -0.84 -4.85 118.68 121.89 1hk6 s LEU 93 Ca 0.29 1.02 -0.33 0.00 -1.03 0.00 0.00 54.13 54.08 1hk6 s LEU 93 Cb -0.16 -2.64 -0.13 0.00 0.03 0.00 0.00 46.19 43.29 1hk6 s LEU 93 CO 0.12 0.32 1.71 0.29 0.23 0.00 0.00 176.35 179.01 1hk6 n LYS 94 N 1.80 2.34 -1.65 1.70 4.76 -1.26 -3.78 118.16 122.06 1hk6 n LYS 94 Ca -0.13 0.85 -0.44 0.00 -2.87 0.00 0.00 58.31 55.71 1hk6 n LYS 94 Cb 0.52 -2.66 -0.02 0.00 -1.84 0.00 0.00 35.03 31.03 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 4.61 1.84 -2.17 1.97 -0.02 -1.26 -4.89 135.00 135.08 1hk6 n PRO 95 Ca 0.18 0.65 -0.43 0.00 -2.02 0.00 0.00 63.50 61.89 1hk6 n PRO 95 Cb 0.31 -2.20 -0.02 0.00 -0.02 0.00 0.00 33.50 31.57 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 -1.18 4.04 0.00 -0.52 -6.30 -1.26 -5.17 118.70 108.31 1hk6 s GLU 96 Ca 0.62 1.82 0.00 0.00 -2.50 0.00 0.00 54.97 54.91 1hk6 s GLU 96 Cb -0.65 -3.94 0.00 0.00 0.00 0.00 0.00 34.13 29.54 1hk6 s GLU 96 CO 0.57 -0.99 0.00 1.17 0.02 0.00 0.00 175.26 176.03