#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 1.28 -3.54 -0.41 2.81 -1.26 -4.68 117.12 111.32 1hk6 n MET 4 Ca 0.00 -0.34 -0.20 0.00 -1.81 0.00 0.00 57.70 55.36 1hk6 n MET 4 Cb 0.00 -1.36 0.06 0.00 -0.71 0.00 0.00 33.22 31.21 1hk6 n MET 4 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1hk6 n ARG 5 N 1.88 -5.00 -1.76 0.03 1.74 -1.26 -4.92 116.66 107.38 1hk6 n ARG 5 Ca 0.14 0.73 -0.40 0.00 -0.77 0.00 0.00 57.85 57.55 1hk6 n ARG 5 Cb 0.61 -5.45 0.01 0.00 -1.02 0.00 0.00 32.46 26.61 1hk6 n ARG 5 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1hk6 n GLN 6 N -4.08 2.34 -1.59 5.56 1.13 -1.26 -4.54 117.38 114.93 1hk6 n GLN 6 Ca -0.26 0.83 -0.37 0.00 -1.94 0.00 0.00 57.00 55.26 1hk6 n GLN 6 Cb 0.66 -2.61 0.07 0.00 0.11 0.00 0.00 30.24 28.47 1hk6 n GLN 6 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1hk6 n PRO 7 N 0.02 0.86 -1.53 -1.09 -0.04 -1.26 -4.83 135.00 127.13 1hk6 n PRO 7 Ca 0.04 0.35 -0.43 0.00 -0.04 0.00 0.00 63.50 63.42 1hk6 n PRO 7 Cb 0.40 -2.31 -0.00 0.00 -0.04 0.00 0.00 33.50 31.56 1hk6 n PRO 7 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1hk6 n PRO 8 N -1.56 0.95 -3.52 0.54 -0.02 -1.07 -4.85 135.00 125.48 1hk6 n PRO 8 Ca 0.15 0.34 -0.18 0.00 -2.02 0.00 0.00 63.50 61.78 1hk6 n PRO 8 Cb 0.48 -1.70 -0.13 0.00 -0.02 0.00 0.00 33.50 32.13 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 0.86 -0.11 0.16 2.45 0.20 0.02 -1.81 118.68 120.45 1hk6 s LEU 9 Ca 0.62 -0.14 -0.28 0.00 0.69 0.00 0.00 54.13 55.02 1hk6 s LEU 9 Cb -0.65 0.38 -0.07 0.00 -0.43 0.00 0.00 46.19 45.42 1hk6 s LEU 9 CO 0.58 -0.32 0.87 -0.69 -0.29 0.00 0.00 176.35 176.50 1hk6 s VAL 10 N 2.33 4.35 -0.34 1.68 1.01 -1.03 0.02 120.40 128.41 1hk6 s VAL 10 Ca 0.06 1.90 0.14 0.00 0.00 0.00 0.00 61.98 64.08 1hk6 s VAL 10 Cb -0.15 -4.24 0.43 0.00 0.00 0.00 0.00 36.38 32.41 1hk6 s VAL 10 CO -0.11 0.45 1.34 0.35 0.00 0.00 0.00 175.10 177.12 1hk6 n THR 11 N 2.01 0.33 -3.65 3.92 -2.24 -0.21 -3.99 114.28 110.45 1hk6 n THR 11 Ca -0.02 -1.73 -0.03 0.00 -2.27 0.00 0.00 64.05 60.00 1hk6 n THR 11 Cb 0.48 1.01 -0.06 0.00 -2.10 0.00 0.00 70.33 69.66 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 -1.83 0.25 -0.29 3.38 0.00 0.03 -4.75 107.32 104.11 1hk6 s GLY 12 Ca 0.18 3.25 -0.16 0.00 0.00 0.00 0.00 44.72 48.00 1hk6 s GLY 12 CO -0.08 1.63 0.82 -1.50 0.00 0.00 0.00 173.10 173.97 1hk6 s ILE 13 N -0.37 -0.04 0.02 0.90 2.07 -1.26 -2.49 121.20 120.03 1hk6 s ILE 13 Ca 0.08 0.00 -0.28 0.00 -1.41 0.00 0.00 60.65 59.04 1hk6 s ILE 13 Cb -0.03 -1.00 -0.16 0.00 0.13 0.00 0.00 42.46 41.40 1hk6 s ILE 13 CO -0.13 0.00 1.18 -1.28 -1.91 0.00 0.00 174.94 172.80 1hk6 h SER 14 N 6.62 -0.81 -3.67 4.50 0.87 -1.97 -3.42 113.55 115.67 1hk6 h SER 14 Ca -0.28 0.01 -0.63 0.00 -1.23 0.00 0.00 61.79 59.66 1hk6 h SER 14 Cb 1.21 0.21 -0.15 0.00 -0.44 0.00 0.00 62.40 63.23 1hk6 h SER 14 CO 0.17 -0.44 -0.17 -2.16 -0.53 0.00 0.00 176.83 173.71 1hk6 s PRO 15 N -4.85 3.93 -0.46 2.24 0.04 -1.26 -4.95 135.00 129.69 1hk6 s PRO 15 Ca -0.15 0.03 0.04 0.00 0.04 0.00 0.00 61.00 60.96 1hk6 s PRO 15 Cb 0.02 -3.69 0.65 0.00 0.04 0.00 0.00 34.50 31.52 1hk6 s PRO 15 CO 0.46 -0.36 1.92 0.09 0.04 0.00 0.00 177.00 179.14 1hk6 n ASN 16 N 5.44 3.97 0.00 6.66 4.13 -1.26 -4.86 115.26 129.33 1hk6 n ASN 16 Ca -0.07 -3.62 0.00 0.00 1.68 0.00 0.00 54.58 52.57 1hk6 n ASN 16 Cb 0.50 -0.84 0.00 0.00 -1.54 0.00 0.00 39.78 37.90 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 -1.14 0.00 0.00 3.52 0.28 -1.26 -4.51 120.64 117.53 1hk6 n GLU 17 Ca 0.60 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.60 1hk6 n GLU 17 Cb 1.61 0.00 0.00 0.00 1.43 0.00 0.00 31.44 34.48 1hk6 n GLU 17 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1hk6 n GLY 18 N 0.00 2.82 3.50 -1.84 0.00 -1.21 -5.01 105.19 103.44 1hk6 n GLY 18 Ca 0.00 -0.56 -0.32 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.75 0.00 -0.24 -0.61 -5.35 -1.26 -2.49 119.36 108.67 1hk6 n ILE 19 Ca 0.00 -0.17 0.05 0.00 -0.27 0.00 0.00 62.75 62.35 1hk6 n ILE 19 Cb 0.00 -0.81 0.16 0.00 -1.74 0.00 0.00 39.64 37.26 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 -1.92 0.23 0.00 6.28 0.11 -1.76 0.15 132.00 135.09 1hk6 h PRO 20 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1hk6 h PRO 20 Cb 1.30 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1hk6 h PRO 20 CO 0.39 0.15 0.00 0.91 -0.21 0.00 0.00 178.00 179.24 1hk6 n TRP 21 N -5.19 0.00 -1.87 0.65 7.02 -1.26 -1.12 117.44 115.68 1hk6 n TRP 21 Ca 0.13 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.19 1hk6 n TRP 21 Cb 0.44 -0.25 -0.03 0.00 -2.42 0.00 0.00 31.31 29.05 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 -2.50 2.72 0.26 -0.99 2.01 0.52 -4.89 115.64 112.77 1hk6 s THR 22 Ca 0.18 0.34 -0.30 0.00 0.31 0.00 0.00 61.69 62.22 1hk6 s THR 22 Cb 0.12 -3.22 -0.10 0.00 0.01 0.00 0.00 72.50 69.31 1hk6 s THR 22 CO 0.26 0.01 1.36 -0.75 -0.69 0.00 0.00 174.62 174.81 1hk6 s LYS 23 N 2.09 4.33 -0.02 4.92 2.47 -1.26 -4.15 119.74 128.12 1hk6 s LYS 23 Ca 0.74 2.20 -0.01 0.00 -1.56 0.00 0.00 55.97 57.35 1hk6 s LYS 23 Cb -0.43 -3.12 0.03 0.00 -1.46 0.00 0.00 37.83 32.84 1hk6 s LYS 23 CO 0.33 -0.30 0.04 0.14 0.16 0.00 0.00 175.35 175.72 1hk6 s VAL 24 N -0.31 -0.05 -0.33 4.02 -7.23 -1.23 -4.85 120.40 110.43 1hk6 s VAL 24 Ca 0.55 0.18 -0.21 0.00 -1.81 0.00 0.00 61.98 60.69 1hk6 s VAL 24 Cb -0.40 -0.10 -0.00 0.00 0.56 0.00 0.00 36.38 36.45 1hk6 s VAL 24 CO 0.44 0.07 0.66 -0.89 -0.31 0.00 0.00 175.10 175.08 1hk6 s THR 25 N 0.92 4.89 0.30 5.32 2.01 -1.26 -3.62 115.64 124.19 1hk6 s THR 25 Ca -0.08 0.82 -0.28 0.00 0.31 0.00 0.00 61.69 62.46 1hk6 s THR 25 Cb -0.11 -4.06 -0.09 0.00 0.01 0.00 0.00 72.50 68.25 1hk6 s THR 25 CO -0.03 -0.23 1.09 -0.63 -0.69 0.00 0.00 174.62 174.12 1hk6 s ILE 26 N 2.73 3.54 -0.12 1.82 1.01 -0.48 -3.94 121.20 125.76 1hk6 s ILE 26 Ca 0.26 1.48 -0.06 0.00 0.00 0.00 0.00 60.65 62.33 1hk6 s ILE 26 Cb -0.15 -3.91 0.05 0.00 0.01 0.00 0.00 42.46 38.46 1hk6 s ILE 26 CO 0.13 0.30 0.28 -0.60 0.00 0.00 0.00 174.94 175.05 1hk6 s ARG 27 N -1.64 0.25 0.00 2.79 6.06 -1.04 -3.10 118.95 122.27 1hk6 s ARG 27 Ca 0.47 0.56 0.00 0.00 -2.50 0.00 0.00 55.73 54.26 1hk6 s ARG 27 Cb -0.30 -0.08 0.00 0.00 0.06 0.00 0.00 34.95 34.63 1hk6 s ARG 27 CO 0.38 -0.15 0.00 0.41 -2.50 0.00 0.00 175.30 173.44 1hk6 n GLY 28 N 4.14 1.08 3.64 8.12 0.00 -1.26 -0.79 105.19 120.12 1hk6 n GLY 28 Ca -0.24 0.37 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 1hk6 n GLY 28 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1hk6 s GLU 29 N 3.26 0.68 -1.30 1.61 -1.05 0.10 -4.76 118.70 117.25 1hk6 s GLU 29 Ca 0.00 1.01 -0.08 0.00 -0.15 0.00 0.00 54.97 55.74 1hk6 s GLU 29 Cb 0.00 0.23 0.01 0.00 -0.44 0.00 0.00 34.13 33.93 1hk6 s GLU 29 CO 0.00 -0.11 1.13 0.09 0.95 0.00 0.00 175.26 177.32 1hk6 n ASN 30 N 3.49 -6.13 -0.09 0.83 3.02 -1.23 -0.80 115.26 114.35 1hk6 n ASN 30 Ca -0.17 -0.52 -0.14 0.00 -0.03 0.00 0.00 54.58 53.72 1hk6 n ASN 30 Cb 0.57 -4.85 -0.04 0.00 -0.61 0.00 0.00 39.78 34.85 1hk6 n ASN 30 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1hk6 h LEU 31 N -2.59 0.81 0.00 3.41 4.07 -1.91 -2.83 115.31 116.27 1hk6 h LEU 31 Ca -0.55 -0.49 0.00 0.00 0.08 0.00 0.00 57.88 56.92 1hk6 h LEU 31 Cb 1.35 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.86 1hk6 h LEU 31 CO 0.53 1.14 0.00 0.61 -1.08 0.00 0.00 178.44 179.65 1hk6 n GLY 32 N 0.23 1.22 0.35 0.83 0.00 -1.26 -4.78 105.19 101.78 1hk6 n GLY 32 Ca -0.04 0.20 -0.05 0.00 0.00 0.00 0.00 46.02 46.13 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 1.26 -1.15 2.61 1.35 -1.92 -3.34 112.91 111.72 1hk6 h THR 33 Ca 0.00 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 1hk6 h THR 33 Cb 0.00 0.24 0.00 0.00 -1.73 0.00 0.00 68.15 66.66 1hk6 h THR 33 CO 0.00 0.32 0.00 0.61 -0.25 0.00 0.00 175.52 176.20 1hk6 n GLY 34 N -0.97 2.06 0.13 5.82 0.00 -1.26 -4.75 105.19 106.22 1hk6 n GLY 34 Ca 0.08 -0.81 -0.11 0.00 0.00 0.00 0.00 46.02 45.18 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 0.34 -0.91 1.61 0.11 -1.94 -2.65 132.00 128.56 1hk6 h PRO 35 Ca 0.00 -0.08 0.01 0.00 0.11 0.00 0.00 66.00 66.04 1hk6 h PRO 35 Cb 0.00 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 31.02 1hk6 h PRO 35 CO 0.00 0.44 0.60 1.79 -0.21 0.00 0.00 178.00 180.62 1hk6 h THR 36 N 0.17 1.24 -0.71 -1.15 1.35 -2.01 -2.62 112.91 109.17 1hk6 h THR 36 Ca 0.07 -0.44 -0.03 0.00 -0.55 0.00 0.00 66.41 65.46 1hk6 h THR 36 Cb 0.25 -0.10 -0.03 0.00 -1.73 0.00 0.00 68.15 66.54 1hk6 h THR 36 CO -0.00 0.23 0.32 -0.78 -0.25 0.00 0.00 175.52 175.04 1hk6 h ASP 37 N 1.24 0.95 0.00 5.36 3.58 -1.94 -3.25 116.42 122.36 1hk6 h ASP 37 Ca 0.33 -0.15 -0.63 0.00 0.42 0.00 0.00 57.03 57.00 1hk6 h ASP 37 Cb -0.13 -0.24 0.02 0.00 1.72 0.00 0.00 39.33 40.69 1hk6 h ASP 37 CO -0.07 0.83 3.49 -0.11 -2.88 0.00 0.00 179.24 180.50 1hk6 n LEU 38 N -4.40 7.70 -0.12 2.28 0.00 -0.99 -2.40 117.00 119.07 1hk6 n LEU 38 Ca 0.06 -4.05 -0.12 0.00 0.00 0.00 0.00 56.01 51.89 1hk6 n LEU 38 Cb 0.15 -1.49 -0.03 0.00 0.00 0.00 0.00 43.42 42.05 1hk6 n LEU 38 CO 0.39 1.60 0.62 0.16 0.00 0.00 0.00 177.39 180.16 1hk6 h ILE 39 N 3.30 1.28 -3.82 1.96 3.07 -1.69 -3.44 117.51 118.17 1hk6 h ILE 39 Ca 0.75 -1.39 -0.69 0.00 1.55 0.00 0.00 64.86 65.08 1hk6 h ILE 39 Cb 0.34 1.39 -0.21 0.00 -0.27 0.00 0.00 36.82 38.07 1hk6 h ILE 39 CO 1.76 0.46 -0.73 -0.83 -1.05 0.00 0.00 178.15 177.76 1hk6 s GLY 40 N -3.66 1.63 -0.10 0.16 0.00 -1.25 -5.02 107.32 99.07 1hk6 s GLY 40 Ca -0.12 -0.95 -0.07 0.00 0.00 0.00 0.00 44.72 43.58 1hk6 s GLY 40 CO 0.84 -0.75 0.25 -2.27 0.00 0.00 0.00 173.10 171.18 1hk6 s LEU 41 N -0.86 0.70 -0.02 0.66 1.98 -1.26 -1.34 118.68 118.54 1hk6 s LEU 41 Ca 0.13 0.53 -0.16 0.00 -2.89 0.00 0.00 54.13 51.73 1hk6 s LEU 41 Cb -0.11 0.81 0.03 0.00 0.66 0.00 0.00 46.19 47.58 1hk6 s LEU 41 CO 0.02 -0.13 0.34 0.42 -1.89 0.00 0.00 176.35 175.11 1hk6 s THR 42 N 0.72 0.05 -0.11 3.68 -4.23 -1.13 -2.17 115.64 112.44 1hk6 s THR 42 Ca -0.05 -0.43 -0.02 0.00 -1.18 0.00 0.00 61.69 60.01 1hk6 s THR 42 Cb -0.06 -0.64 0.04 0.00 1.34 0.00 0.00 72.50 73.18 1hk6 s THR 42 CO -0.04 -0.24 0.02 -0.63 -0.54 0.00 0.00 174.62 173.19 1hk6 s ILE 43 N -1.29 0.37 0.00 2.99 1.01 -1.02 -3.02 121.20 120.23 1hk6 s ILE 43 Ca -0.13 -0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.45 1hk6 s ILE 43 Cb -0.05 -0.66 0.00 0.00 0.01 0.00 0.00 42.46 41.76 1hk6 s ILE 43 CO 0.05 0.09 0.00 0.00 0.00 0.00 0.00 174.94 175.08 1hk6 n GLY 45 N 0.00 1.36 3.75 0.00 0.00 -1.26 -0.13 105.19 108.91 1hk6 n GLY 45 Ca 0.00 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 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 3.93 0.42 1.61 0.00 -1.19 -4.98 115.29 115.08 1hk6 s HIS 46 Ca 0.00 1.84 -0.27 0.00 -3.00 0.00 0.00 55.06 53.63 1hk6 s HIS 46 Cb 0.00 -2.97 -0.09 0.00 -4.00 0.00 0.00 32.58 25.52 1hk6 s HIS 46 CO 0.00 0.40 1.45 1.21 -1.00 0.00 0.00 174.74 176.80 1hk6 s ASN 47 N -0.85 6.10 -0.22 7.38 2.47 -1.26 -2.43 114.94 126.12 1hk6 s ASN 47 Ca 0.42 2.98 0.21 0.00 0.42 0.00 0.00 52.86 56.88 1hk6 s ASN 47 Cb -0.25 -2.66 0.46 0.00 -1.45 0.00 0.00 41.25 37.36 1hk6 s ASN 47 CO 0.30 -1.03 1.18 0.00 -3.72 0.00 0.00 177.10 173.84 1hk6 h LEU 49 N 2.03 0.77 -0.80 0.00 5.85 -1.90 -0.70 115.31 120.56 1hk6 h LEU 49 Ca -0.22 -0.55 0.05 0.00 0.84 0.00 0.00 57.88 58.00 1hk6 h LEU 49 Cb 1.37 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 42.13 1hk6 h LEU 49 CO 0.09 1.18 0.49 0.17 -0.34 0.00 0.00 178.44 180.03 1hk6 h LEU 50 N 0.39 0.77 0.21 2.25 -0.00 -1.94 -2.82 115.31 114.17 1hk6 h LEU 50 Ca 0.00 0.01 -0.32 0.00 -0.00 0.00 0.00 57.88 57.58 1hk6 h LEU 50 Cb 1.05 -0.15 0.03 0.00 -0.00 0.00 0.00 40.66 41.59 1hk6 h LEU 50 CO 0.10 0.51 -1.41 0.71 -0.00 0.00 0.00 178.44 178.35 1hk6 h THR 51 N 0.91 1.35 -3.11 0.15 1.35 -1.93 -3.45 112.91 108.17 1hk6 h THR 51 Ca 0.34 -2.82 -0.53 0.00 -0.55 0.00 0.00 66.41 62.85 1hk6 h THR 51 Cb 0.13 3.00 0.06 0.00 -1.73 0.00 0.00 68.15 69.61 1hk6 h THR 51 CO -0.16 0.84 0.86 0.00 -0.25 0.00 0.00 175.52 176.82 1hk6 s ALA 52 N -2.62 3.75 -0.09 6.62 0.00 -0.27 -4.62 121.76 124.53 1hk6 s ALA 52 Ca -0.07 1.44 0.02 0.00 0.00 0.00 0.00 51.96 53.35 1hk6 s ALA 52 Cb 0.05 -3.62 0.01 0.00 0.00 0.00 0.00 23.12 19.57 1hk6 s ALA 52 CO 0.92 -0.84 -0.14 -2.00 0.00 0.00 0.00 175.76 173.70 1hk6 s GLU 53 N 0.25 2.05 0.57 0.00 2.12 -0.45 -4.87 118.70 118.36 1hk6 s GLU 53 Ca 0.66 -0.51 -0.19 0.00 0.36 0.00 0.00 54.97 55.28 1hk6 s GLU 53 Cb -0.45 -1.72 -0.05 0.00 0.26 0.00 0.00 34.13 32.18 1hk6 s GLU 53 CO 0.39 -0.01 1.17 -0.46 -0.54 0.00 0.00 175.26 175.81 1hk6 s TRP 54 N 0.84 2.53 0.00 5.30 -0.00 -1.26 -3.07 118.94 123.27 1hk6 s TRP 54 Ca -0.10 1.53 0.00 0.00 -0.00 0.00 0.00 56.10 57.52 1hk6 s TRP 54 Cb -0.15 -3.39 0.00 0.00 -0.00 0.00 0.00 33.47 29.93 1hk6 s TRP 54 CO 0.01 -1.90 0.00 -1.33 -0.00 0.00 0.00 176.95 173.73 1hk6 n MET 55 N -1.44 0.00 -3.81 5.86 2.81 -1.22 -4.97 117.12 114.36 1hk6 n MET 55 Ca 0.13 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 55.97 1hk6 n MET 55 Cb 0.50 -0.30 0.00 0.00 -0.71 0.00 0.00 33.22 32.71 1hk6 n MET 55 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1hk6 s SER 56 N -2.62 -0.11 0.00 7.83 0.15 -1.19 -4.99 113.70 112.78 1hk6 s SER 56 Ca 0.00 -0.62 0.00 0.00 0.70 0.00 0.00 55.95 56.03 1hk6 s SER 56 Cb 0.00 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 64.88 1hk6 s SER 56 CO 0.00 -1.10 0.44 0.00 1.20 0.00 0.00 173.24 173.78 1hk6 n ALA 57 N -0.55 2.17 -2.23 5.45 0.00 -1.25 -2.98 120.51 121.12 1hk6 n ALA 57 Ca -0.05 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.36 1hk6 n ALA 57 Cb 0.60 -1.00 0.02 0.00 0.00 0.00 0.00 19.45 19.07 1hk6 n ALA 57 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1hk6 n SER 58 N 0.19 -0.77 -3.62 0.00 7.64 -1.26 -3.53 113.62 112.28 1hk6 n SER 58 Ca 0.00 -1.50 -0.03 0.00 1.01 0.00 0.00 58.87 58.34 1hk6 n SER 58 Cb 0.22 0.31 -0.06 0.00 -1.01 0.00 0.00 64.21 63.67 1hk6 n SER 58 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1hk6 s LYS 59 N 0.04 0.51 -0.17 1.43 2.20 -1.16 -4.28 119.74 118.31 1hk6 s LYS 59 Ca 0.03 0.95 -0.08 0.00 -0.36 0.00 0.00 55.97 56.51 1hk6 s LYS 59 Cb 0.15 0.22 0.07 0.00 -1.51 0.00 0.00 37.83 36.75 1hk6 s LYS 59 CO -0.04 -0.12 0.38 0.42 -0.36 0.00 0.00 175.35 175.63 1hk6 s ILE 60 N 1.72 -0.27 -0.16 5.43 1.01 -1.18 -3.17 121.20 124.58 1hk6 s ILE 60 Ca -0.08 0.14 -0.17 0.00 0.00 0.00 0.00 60.65 60.54 1hk6 s ILE 60 Cb -0.05 -0.59 -0.04 0.00 0.01 0.00 0.00 42.46 41.79 1hk6 s ILE 60 CO -0.17 0.06 0.42 -0.69 0.00 0.00 0.00 174.94 174.56 1hk6 s VAL 61 N 1.89 5.21 -0.12 2.92 1.01 -1.17 -1.38 120.40 128.76 1hk6 s VAL 61 Ca -0.06 0.80 -0.31 0.00 0.00 0.00 0.00 61.98 62.41 1hk6 s VAL 61 Cb -0.10 -3.76 0.12 0.00 0.00 0.00 0.00 36.38 32.65 1hk6 s VAL 61 CO -0.12 0.30 1.05 0.00 0.00 0.00 0.00 175.10 176.34 1hk6 s ARG 63 N -2.41 4.50 0.44 0.00 1.70 -1.26 -3.56 118.95 118.36 1hk6 s ARG 63 Ca 0.06 1.08 0.20 0.00 -0.47 0.00 0.00 55.73 56.60 1hk6 s ARG 63 Cb -0.01 -3.36 1.00 0.00 -0.57 0.00 0.00 34.95 32.01 1hk6 s ARG 63 CO -0.06 0.29 1.90 -0.39 -1.08 0.00 0.00 175.30 175.97 1hk6 h VAL 64 N 4.09 0.86 -0.56 4.99 -1.51 -1.69 -3.48 116.25 118.95 1hk6 h VAL 64 Ca -0.44 -1.03 0.00 0.00 -1.23 0.00 0.00 66.70 64.00 1hk6 h VAL 64 Cb 1.21 1.61 0.00 0.00 -2.13 0.00 0.00 31.29 31.98 1hk6 h VAL 64 CO 0.71 0.26 0.00 0.61 -1.23 0.00 0.00 177.57 177.91 1hk6 n GLY 65 N -0.35 0.85 0.00 5.19 0.00 -0.27 -4.70 105.19 105.91 1hk6 n GLY 65 Ca -0.01 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.21 1hk6 n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hk6 n GLN 66 N 0.00 3.65 -3.49 1.61 10.64 -1.26 -4.36 117.38 124.16 1hk6 n GLN 66 Ca 0.00 0.00 -0.10 0.00 -1.83 0.00 0.00 57.00 55.07 1hk6 n GLN 66 Cb 0.00 0.00 -0.02 0.00 -0.86 0.00 0.00 30.24 29.36 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 -3.46 -1.78 0.00 2.61 0.00 -1.26 -4.75 121.76 113.12 1hk6 s ALA 67 Ca 0.00 0.96 0.00 0.00 0.00 0.00 0.00 51.96 52.92 1hk6 s ALA 67 Cb 0.00 0.42 0.00 0.00 0.00 0.00 0.00 23.12 23.54 1hk6 s ALA 67 CO 0.00 -0.66 0.00 1.63 0.00 0.00 0.00 175.76 176.73 1hk6 n LYS 68 N -0.15 0.00 0.12 0.00 5.02 -1.23 -4.94 118.16 116.98 1hk6 n LYS 68 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 1hk6 n LYS 68 Cb 0.62 -0.35 0.00 0.00 -0.02 0.00 0.00 35.03 35.28 1hk6 n LYS 68 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1hk6 n ASN 69 N -1.78 0.15 -0.34 4.39 3.02 -0.96 -4.87 115.26 114.86 1hk6 n ASN 69 Ca 0.00 0.40 -0.02 0.00 -0.03 0.00 0.00 54.58 54.93 1hk6 n ASN 69 Cb 0.00 0.22 0.13 0.00 -0.61 0.00 0.00 39.78 39.52 1hk6 n ASN 69 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1hk6 h ASP 70 N 0.00 1.10 -3.80 6.41 3.32 -0.85 -3.45 116.42 119.15 1hk6 h ASP 70 Ca 0.00 -0.04 -0.12 0.00 0.02 0.00 0.00 57.03 56.89 1hk6 h ASP 70 Cb 0.01 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 1hk6 h ASP 70 CO 0.00 0.81 -0.14 2.29 -1.72 0.00 0.00 179.24 180.49 1hk6 n LYS 71 N -4.38 -2.27 0.00 3.56 2.85 -1.18 -2.74 118.16 113.99 1hk6 n LYS 71 Ca 0.11 0.29 0.00 0.00 -1.05 0.00 0.00 58.31 57.66 1hk6 n LYS 71 Cb 0.03 -4.73 0.00 0.00 -0.65 0.00 0.00 35.03 29.68 1hk6 n LYS 71 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1hk6 n GLY 72 N -0.51 1.86 3.66 2.58 0.00 -1.26 -4.78 105.19 106.74 1hk6 n GLY 72 Ca -0.07 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 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 6.49 -0.08 1.61 1.01 -1.11 -2.94 116.67 121.65 1hk6 s ASP 73 Ca 0.00 2.60 -0.24 0.00 0.71 0.00 0.00 52.55 55.62 1hk6 s ASP 73 Cb 0.00 -2.53 -0.03 0.00 1.01 0.00 0.00 42.92 41.36 1hk6 s ASP 73 CO 0.00 -1.03 0.73 -0.63 0.21 0.00 0.00 175.17 174.45 1hk6 s ILE 74 N 4.29 5.01 0.01 0.77 1.01 -1.26 -3.36 121.20 127.66 1hk6 s ILE 74 Ca 0.85 1.50 0.05 0.00 0.00 0.00 0.00 60.65 63.05 1hk6 s ILE 74 Cb -0.41 -4.07 -0.02 0.00 0.01 0.00 0.00 42.46 37.97 1hk6 s ILE 74 CO 0.39 0.20 -0.17 -0.63 0.00 0.00 0.00 174.94 174.74 1hk6 s ILE 75 N 1.08 1.33 -0.04 2.92 -1.09 -1.17 -3.74 121.20 120.49 1hk6 s ILE 75 Ca 0.38 -0.85 -0.02 0.00 -2.23 0.00 0.00 60.65 57.93 1hk6 s ILE 75 Cb -0.18 -1.14 0.03 0.00 -1.58 0.00 0.00 42.46 39.60 1hk6 s ILE 75 CO 0.17 0.27 0.07 -0.69 -1.23 0.00 0.00 174.94 173.53 1hk6 s VAL 76 N -0.55 -0.12 0.16 2.92 1.01 -1.26 -2.85 120.40 119.70 1hk6 s VAL 76 Ca 0.06 0.36 -0.21 0.00 0.00 0.00 0.00 61.98 62.19 1hk6 s VAL 76 Cb -0.07 -0.16 -0.08 0.00 0.00 0.00 0.00 36.38 36.07 1hk6 s VAL 76 CO 0.00 0.15 0.69 -0.89 0.00 0.00 0.00 175.10 175.05 1hk6 s THR 77 N 1.90 4.57 -0.02 3.92 2.01 -0.45 -1.48 115.64 126.09 1hk6 s THR 77 Ca 0.01 1.38 0.01 0.00 0.31 0.00 0.00 61.69 63.40 1hk6 s THR 77 Cb -0.12 -3.96 0.01 0.00 0.01 0.00 0.00 72.50 68.44 1hk6 s THR 77 CO -0.04 0.41 -0.04 0.42 -0.69 0.00 0.00 174.62 174.69 1hk6 s THR 78 N -1.28 0.38 0.16 -0.82 -4.23 -1.01 -3.81 115.64 105.05 1hk6 s THR 78 Ca 0.36 -0.14 -0.15 0.00 -1.18 0.00 0.00 61.69 60.58 1hk6 s THR 78 Cb -0.20 -0.37 0.04 0.00 1.34 0.00 0.00 72.50 73.32 1hk6 s THR 78 CO 0.22 0.14 1.77 0.11 -0.54 0.00 0.00 174.62 176.32 1hk6 h LYS 79 N 6.49 0.35 0.18 3.99 1.57 -1.80 -2.94 116.57 124.41 1hk6 h LYS 79 Ca -0.33 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.42 1hk6 h LYS 79 Cb 1.17 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1hk6 h LYS 79 CO 0.49 0.23 -0.09 0.77 -0.57 0.00 0.00 179.45 180.29 1hk6 h SER 80 N 0.36 -0.21 0.00 0.86 0.02 -1.97 -3.44 113.55 109.17 1hk6 h SER 80 Ca 0.18 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1hk6 h SER 80 Cb 0.13 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.72 1hk6 h SER 80 CO -0.16 0.20 0.00 0.61 -1.14 0.00 0.00 176.83 176.35 1hk6 n GLY 81 N -0.04 0.84 0.00 -3.77 0.00 -1.12 -5.08 105.19 96.01 1hk6 n GLY 81 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 2.91 3.73 -0.02 0.00 -1.15 -4.77 105.19 110.89 1hk6 n GLY 82 Ca 0.00 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 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 4.77 4.20 0.79 1.61 2.47 -1.26 -2.39 119.74 129.92 1hk6 s LYS 83 Ca 0.00 2.42 -0.11 0.00 -1.56 0.00 0.00 55.97 56.72 1hk6 s LYS 83 Cb 0.00 -3.11 0.07 0.00 -1.46 0.00 0.00 37.83 33.33 1hk6 s LYS 83 CO 0.00 -0.58 1.10 0.20 0.16 0.00 0.00 175.35 176.24 1hk6 s GLY 84 N 0.80 1.73 -0.02 5.54 0.00 -0.55 -4.66 107.32 110.17 1hk6 s GLY 84 Ca 0.66 0.36 -0.05 0.00 0.00 0.00 0.00 44.72 45.69 1hk6 s GLY 84 CO 0.38 0.72 0.10 -0.51 0.00 0.00 0.00 173.10 173.79 1hk6 s THR 85 N -2.80 0.05 -0.24 0.90 -4.23 -0.75 -4.55 115.64 104.02 1hk6 s THR 85 Ca 0.63 -0.43 -0.15 0.00 -1.18 0.00 0.00 61.69 60.56 1hk6 s THR 85 Cb -0.19 -0.29 0.07 0.00 1.34 0.00 0.00 72.50 73.43 1hk6 s THR 85 CO 0.55 -0.24 0.60 -0.94 -0.54 0.00 0.00 174.62 174.05 1hk6 s SER 86 N -0.77 -0.78 0.11 3.99 1.04 -1.25 -2.47 113.70 113.57 1hk6 s SER 86 Ca -0.09 1.30 0.00 0.00 0.48 0.00 0.00 55.95 57.65 1hk6 s SER 86 Cb -0.05 1.19 -0.21 0.00 0.10 0.00 0.00 66.02 67.05 1hk6 s SER 86 CO 0.01 -0.22 1.23 0.71 0.98 0.00 0.00 173.24 175.94 1hk6 h THR 87 N 5.03 1.57 -3.89 2.02 1.35 -1.93 -3.43 112.91 113.62 1hk6 h THR 87 Ca -0.32 -3.08 -0.50 0.00 -0.55 0.00 0.00 66.41 61.96 1hk6 h THR 87 Cb 1.21 2.82 0.04 0.00 -1.73 0.00 0.00 68.15 70.48 1hk6 h THR 87 CO 0.19 0.89 0.23 0.68 -0.25 0.00 0.00 175.52 177.26 1hk6 s VAL 88 N -2.78 4.80 -0.12 6.82 -7.23 -1.26 -5.04 120.40 115.58 1hk6 s VAL 88 Ca -0.02 0.57 -0.11 0.00 -1.81 0.00 0.00 61.98 60.60 1hk6 s VAL 88 Cb 0.09 -3.83 0.03 0.00 0.56 0.00 0.00 36.38 33.23 1hk6 s VAL 88 CO 0.85 -0.87 0.32 -0.44 -0.31 0.00 0.00 175.10 174.65 1hk6 s SER 89 N -3.87 -0.33 0.02 4.85 0.01 -1.26 -4.20 113.70 108.91 1hk6 s SER 89 Ca 0.51 0.64 -0.24 0.00 1.31 0.00 0.00 55.95 58.18 1hk6 s SER 89 Cb -0.10 0.65 -0.05 0.00 0.21 0.00 0.00 66.02 66.73 1hk6 s SER 89 CO 0.44 -0.11 0.74 0.12 0.41 0.00 0.00 173.24 174.84 1hk6 s PHE 90 N 0.17 3.70 -0.20 2.43 5.36 -1.15 -4.96 117.98 123.32 1hk6 s PHE 90 Ca -0.00 1.40 -0.28 0.00 -0.96 0.00 0.00 56.93 57.08 1hk6 s PHE 90 Cb -0.02 -2.80 0.00 0.00 -0.34 0.00 0.00 43.02 39.86 1hk6 s PHE 90 CO 0.00 0.24 1.00 0.21 -1.46 0.00 0.00 175.22 175.21 1hk6 s LYS 91 N 0.13 4.29 -0.48 10.12 2.36 -1.26 -4.44 119.74 130.45 1hk6 s LYS 91 Ca 0.38 1.30 -0.26 0.00 -2.55 0.00 0.00 55.97 54.85 1hk6 s LYS 91 Cb -0.20 -3.62 0.03 0.00 -1.05 0.00 0.00 37.83 33.00 1hk6 s LYS 91 CO 0.21 -0.53 0.95 -0.51 1.55 0.00 0.00 175.35 177.02 1hk6 s LEU 92 N 2.84 3.98 0.13 5.43 1.43 -1.26 -3.29 118.68 127.94 1hk6 s LEU 92 Ca 0.44 0.05 -0.26 0.00 -1.03 0.00 0.00 54.13 53.33 1hk6 s LEU 92 Cb -0.16 -3.15 -0.07 0.00 0.03 0.00 0.00 46.19 42.84 1hk6 s LEU 92 CO 0.09 -1.11 0.80 -0.76 0.23 0.00 0.00 176.35 175.60 1hk6 s LEU 93 N 3.88 4.55 0.40 1.79 1.43 -1.04 -4.96 118.68 124.74 1hk6 s LEU 93 Ca 0.37 1.62 -0.27 0.00 -1.03 0.00 0.00 54.13 54.82 1hk6 s LEU 93 Cb -0.10 -3.32 -0.09 0.00 0.03 0.00 0.00 46.19 42.70 1hk6 s LEU 93 CO 0.25 0.13 1.40 -1.59 0.23 0.00 0.00 176.35 176.77 1hk6 s LYS 94 N -0.74 3.96 0.21 1.70 -2.85 -1.26 -4.03 119.74 116.73 1hk6 s LYS 94 Ca 0.38 2.38 -0.32 0.00 -1.00 0.00 0.00 55.97 57.40 1hk6 s LYS 94 Cb -0.23 -2.82 -0.14 0.00 -2.06 0.00 0.00 37.83 32.58 1hk6 s LYS 94 CO 0.26 -0.58 1.37 -2.30 0.10 0.00 0.00 175.35 174.20 1hk6 n PRO 95 N 0.20 1.81 -2.06 1.78 -0.02 -1.26 -4.88 135.00 130.57 1hk6 n PRO 95 Ca 0.03 0.64 -0.43 0.00 -2.02 0.00 0.00 63.50 61.73 1hk6 n PRO 95 Cb 0.41 -2.28 -0.03 0.00 -0.02 0.00 0.00 33.50 31.59 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 -0.21 3.79 0.00 -0.52 2.02 -1.26 -5.19 118.70 117.32 1hk6 s GLU 96 Ca 0.71 1.75 0.00 0.00 0.02 0.00 0.00 54.97 57.45 1hk6 s GLU 96 Cb -0.71 -4.06 0.00 0.00 0.10 0.00 0.00 34.13 29.46 1hk6 s GLU 96 CO 0.49 -1.31 0.00 1.17 0.02 0.00 0.00 175.26 175.63