#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 2.36 -2.73 1.57 2.00 -1.26 -4.93 117.12 114.13 1hk6 n MET 4 Ca 0.00 0.83 -0.05 0.00 0.00 0.00 0.00 57.70 58.48 1hk6 n MET 4 Cb 0.00 -2.50 0.06 0.00 0.00 0.00 0.00 33.22 30.78 1hk6 n MET 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1hk6 n ARG 5 N 1.00 1.37 -1.77 0.03 1.74 -1.26 -5.11 116.66 112.67 1hk6 n ARG 5 Ca 0.05 -2.84 -0.39 0.00 -0.77 0.00 0.00 57.85 53.90 1hk6 n ARG 5 Cb 0.36 -0.96 0.04 0.00 -1.02 0.00 0.00 32.46 30.88 1hk6 n ARG 5 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1hk6 s GLN 6 N -2.40 3.24 0.36 5.56 -0.21 -1.26 -4.39 119.66 120.56 1hk6 s GLN 6 Ca 0.24 2.30 -0.27 0.00 0.02 0.00 0.00 55.36 57.65 1hk6 s GLN 6 Cb 0.40 -2.34 -0.12 0.00 1.00 0.00 0.00 33.01 31.95 1hk6 s GLN 6 CO -0.03 -1.13 1.21 -2.30 -2.12 0.00 0.00 175.29 170.92 1hk6 n PRO 7 N -0.85 1.86 -1.71 2.91 -0.02 -1.26 -4.90 135.00 131.03 1hk6 n PRO 7 Ca 0.09 0.66 -0.43 0.00 -2.02 0.00 0.00 63.50 61.80 1hk6 n PRO 7 Cb 0.44 -2.23 -0.01 0.00 -0.02 0.00 0.00 33.50 31.68 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 0.41 2.25 -3.85 0.52 -0.02 -1.25 -4.79 135.00 128.27 1hk6 n PRO 8 Ca 0.06 0.79 -0.28 0.00 -2.02 0.00 0.00 63.50 62.06 1hk6 n PRO 8 Cb 0.37 -2.44 -0.16 0.00 -0.02 0.00 0.00 33.50 31.24 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 -0.78 1.59 0.12 2.45 0.20 -0.45 -0.72 118.68 121.09 1hk6 s LEU 9 Ca 0.60 -0.76 -0.29 0.00 0.69 0.00 0.00 54.13 54.37 1hk6 s LEU 9 Cb -0.57 -0.84 -0.06 0.00 -0.43 0.00 0.00 46.19 44.29 1hk6 s LEU 9 CO 0.57 -0.23 0.92 -0.69 -0.29 0.00 0.00 176.35 176.63 1hk6 s VAL 10 N 1.68 4.47 -0.30 1.68 1.01 -1.14 -0.52 120.40 127.27 1hk6 s VAL 10 Ca -0.01 1.98 0.18 0.00 0.00 0.00 0.00 61.98 64.14 1hk6 s VAL 10 Cb -0.16 -4.28 0.47 0.00 0.00 0.00 0.00 36.38 32.40 1hk6 s VAL 10 CO -0.07 0.36 1.21 0.35 0.00 0.00 0.00 175.10 176.95 1hk6 n THR 11 N 2.53 0.80 0.00 3.92 -2.24 -0.30 -4.28 114.28 114.71 1hk6 n THR 11 Ca 0.00 -2.34 0.00 0.00 -2.27 0.00 0.00 64.05 59.44 1hk6 n THR 11 Cb 0.49 1.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.82 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 -0.75 1.37 3.64 3.38 0.00 -0.81 -4.83 105.19 107.19 1hk6 n GLY 12 Ca 0.00 -0.11 -0.06 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.47 0.00 0.02 -0.61 2.07 -1.26 -2.64 121.20 117.30 1hk6 s ILE 13 Ca 0.00 0.00 -0.27 0.00 -1.41 0.00 0.00 60.65 58.97 1hk6 s ILE 13 Cb 0.00 -1.00 -0.15 0.00 0.13 0.00 0.00 42.46 41.44 1hk6 s ILE 13 CO 0.00 0.00 1.16 0.28 -1.91 0.00 0.00 174.94 174.47 1hk6 h SER 14 N 6.65 -0.75 -3.70 4.50 0.02 -1.96 -3.42 113.55 114.90 1hk6 h SER 14 Ca -0.29 -0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 60.03 1hk6 h SER 14 Cb 1.22 0.19 -0.14 0.00 0.14 0.00 0.00 62.40 63.81 1hk6 h SER 14 CO 0.17 -0.38 -0.19 -2.16 -1.14 0.00 0.00 176.83 173.13 1hk6 s PRO 15 N -4.77 4.03 -0.17 3.45 0.04 -1.26 -4.94 135.00 131.37 1hk6 s PRO 15 Ca -0.14 0.10 0.08 0.00 0.04 0.00 0.00 61.00 61.08 1hk6 s PRO 15 Cb 0.02 -3.66 0.52 0.00 0.04 0.00 0.00 34.50 31.43 1hk6 s PRO 15 CO 0.46 -0.29 1.35 0.27 0.04 0.00 0.00 177.00 178.82 1hk6 n ASN 16 N 5.38 4.02 0.00 6.66 0.23 -1.26 -4.84 115.26 125.44 1hk6 n ASN 16 Ca -0.08 -2.66 0.00 0.00 -0.53 0.00 0.00 54.58 51.32 1hk6 n ASN 16 Cb 0.50 -0.63 0.00 0.00 -2.08 0.00 0.00 39.78 37.57 1hk6 n ASN 16 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1hk6 n GLU 17 N 0.29 0.00 0.00 -3.83 0.28 -1.26 -4.48 120.64 111.64 1hk6 n GLU 17 Ca 0.20 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.20 1hk6 n GLU 17 Cb 0.92 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.79 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 -0.04 2.77 3.50 -1.84 0.00 -1.20 -4.99 105.19 103.40 1hk6 n GLY 18 Ca 0.00 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.63 0.08 -0.35 -0.61 -5.35 -1.26 -3.49 119.36 107.76 1hk6 n ILE 19 Ca 0.00 -0.13 0.17 0.00 -0.27 0.00 0.00 62.75 62.52 1hk6 n ILE 19 Cb 0.00 -0.76 0.38 0.00 -1.74 0.00 0.00 39.64 37.53 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 -1.64 0.57 0.00 6.28 0.11 -1.82 0.28 132.00 135.78 1hk6 h PRO 20 Ca -0.43 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1hk6 h PRO 20 Cb 1.28 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 1hk6 h PRO 20 CO 0.37 0.38 -0.06 -1.49 -0.21 0.00 0.00 178.00 176.99 1hk6 h TRP 21 N 0.59 0.00 -2.69 0.65 -0.00 -1.89 -2.73 115.95 109.88 1hk6 h TRP 21 Ca 0.64 0.00 -0.52 0.00 -0.00 0.00 0.00 58.89 59.01 1hk6 h TRP 21 Cb 1.21 0.00 0.06 0.00 -0.00 0.00 0.00 29.16 30.43 1hk6 h TRP 21 CO -0.01 0.06 0.99 0.99 -0.00 0.00 0.00 178.44 180.48 1hk6 s THR 22 N -3.71 2.15 0.32 1.49 2.01 0.97 -4.83 115.64 114.04 1hk6 s THR 22 Ca 0.01 0.10 -0.28 0.00 0.31 0.00 0.00 61.69 61.82 1hk6 s THR 22 Cb 0.10 -3.06 -0.10 0.00 0.01 0.00 0.00 72.50 69.45 1hk6 s THR 22 CO 0.56 0.01 1.21 -0.75 -0.69 0.00 0.00 174.62 174.96 1hk6 s LYS 23 N 1.23 4.42 -0.02 4.92 2.47 -1.26 -3.75 119.74 127.74 1hk6 s LYS 23 Ca 0.74 2.00 0.01 0.00 -1.56 0.00 0.00 55.97 57.16 1hk6 s LYS 23 Cb -0.49 -3.06 0.02 0.00 -1.46 0.00 0.00 37.83 32.84 1hk6 s LYS 23 CO 0.32 -0.05 -0.02 0.14 0.16 0.00 0.00 175.35 175.90 1hk6 s VAL 24 N -1.19 0.31 -0.44 4.02 -7.23 -1.22 -4.83 120.40 109.81 1hk6 s VAL 24 Ca 0.48 -0.05 -0.23 0.00 -1.81 0.00 0.00 61.98 60.37 1hk6 s VAL 24 Cb -0.35 -0.34 0.02 0.00 0.56 0.00 0.00 36.38 36.27 1hk6 s VAL 24 CO 0.46 0.15 0.79 -0.89 -0.31 0.00 0.00 175.10 175.30 1hk6 s THR 25 N 0.62 4.65 0.24 5.32 2.01 -1.26 -3.87 115.64 123.35 1hk6 s THR 25 Ca -0.07 0.50 -0.30 0.00 0.31 0.00 0.00 61.69 62.14 1hk6 s THR 25 Cb -0.10 -4.31 -0.09 0.00 0.01 0.00 0.00 72.50 68.01 1hk6 s THR 25 CO -0.01 -0.69 1.06 -0.63 -0.69 0.00 0.00 174.62 173.67 1hk6 s ILE 26 N 3.29 3.73 -0.11 1.82 1.01 -1.09 -3.66 121.20 126.19 1hk6 s ILE 26 Ca 0.30 1.66 -0.06 0.00 0.00 0.00 0.00 60.65 62.56 1hk6 s ILE 26 Cb -0.12 -4.06 0.05 0.00 0.01 0.00 0.00 42.46 38.34 1hk6 s ILE 26 CO 0.22 0.37 0.27 -0.60 0.00 0.00 0.00 174.94 175.19 1hk6 s ARG 27 N -1.08 0.22 0.00 2.79 6.06 -1.08 -3.05 118.95 122.81 1hk6 s ARG 27 Ca 0.45 0.58 0.00 0.00 -2.50 0.00 0.00 55.73 54.26 1hk6 s ARG 27 Cb -0.30 -0.10 0.00 0.00 0.06 0.00 0.00 34.95 34.61 1hk6 s ARG 27 CO 0.37 -0.18 0.00 0.41 -2.50 0.00 0.00 175.30 173.41 1hk6 n GLY 28 N 4.35 1.97 3.19 8.12 0.00 -1.11 -1.15 105.19 120.55 1hk6 n GLY 28 Ca -0.23 0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 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 4.62 0.35 -1.15 1.61 2.02 0.32 -4.63 118.70 121.84 1hk6 s GLU 29 Ca 0.00 0.46 -0.07 0.00 0.02 0.00 0.00 54.97 55.38 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 -0.06 1.00 0.09 0.02 0.00 0.00 175.26 176.31 1hk6 n ASN 30 N 3.12 -5.33 -2.49 -0.19 3.02 -0.78 -1.34 115.26 111.28 1hk6 n ASN 30 Ca -0.15 -0.47 -0.24 0.00 -0.03 0.00 0.00 54.58 53.70 1hk6 n ASN 30 Cb 0.57 -4.39 -0.09 0.00 -0.61 0.00 0.00 39.78 35.26 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 -4.28 6.39 -0.62 3.41 4.32 -1.01 -3.74 117.00 121.48 1hk6 n LEU 31 Ca -0.02 -3.84 0.00 0.00 -0.02 0.00 0.00 56.01 52.12 1hk6 n LEU 31 Cb 0.56 -1.35 0.00 0.00 -1.62 0.00 0.00 43.42 41.01 1hk6 n LEU 31 CO 0.55 1.79 -0.10 0.61 -1.22 0.00 0.00 177.39 179.02 1hk6 n GLY 32 N 1.86 -3.86 1.99 -0.72 0.00 -1.26 -4.53 105.19 98.66 1hk6 n GLY 32 Ca 0.51 -0.76 -0.21 0.00 0.00 0.00 0.00 46.02 45.57 1hk6 n GLY 32 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1hk6 n THR 33 N 0.06 2.96 0.00 2.61 -2.24 -1.26 -3.81 114.28 112.60 1hk6 n THR 33 Ca 0.00 -1.93 0.00 0.00 -2.27 0.00 0.00 64.05 59.85 1hk6 n THR 33 Cb 0.00 -1.28 0.00 0.00 -2.10 0.00 0.00 70.33 66.95 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 0.04 2.51 0.28 3.38 0.00 -1.26 -4.97 105.19 105.17 1hk6 n GLY 34 Ca 0.37 -0.24 0.02 0.00 0.00 0.00 0.00 46.02 46.17 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 0.64 -0.67 1.61 0.11 -1.95 -1.43 132.00 130.31 1hk6 h PRO 35 Ca 0.00 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.05 1hk6 h PRO 35 Cb 0.00 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 30.93 1hk6 h PRO 35 CO 0.00 0.43 0.34 1.79 -0.21 0.00 0.00 178.00 180.34 1hk6 h THR 36 N 0.66 1.21 -0.65 -1.15 1.35 -2.00 -2.77 112.91 109.56 1hk6 h THR 36 Ca 0.36 -0.57 0.05 0.00 -0.55 0.00 0.00 66.41 65.70 1hk6 h THR 36 Cb 0.36 0.34 -0.05 0.00 -1.73 0.00 0.00 68.15 67.07 1hk6 h THR 36 CO -0.26 0.25 0.37 0.44 -0.25 0.00 0.00 175.52 176.07 1hk6 h ASP 37 N 0.94 0.56 0.00 5.36 3.32 -1.64 -3.25 116.42 121.72 1hk6 h ASP 37 Ca 0.24 0.02 -0.63 0.00 0.02 0.00 0.00 57.03 56.68 1hk6 h ASP 37 Cb 0.07 -0.09 0.02 0.00 0.22 0.00 0.00 39.33 39.55 1hk6 h ASP 37 CO -0.03 0.37 2.69 -0.11 -1.72 0.00 0.00 179.24 180.43 1hk6 n LEU 38 N -4.78 5.31 0.04 1.55 0.00 -1.05 -1.42 117.00 116.67 1hk6 n LEU 38 Ca 0.08 -3.34 -0.20 0.00 0.00 0.00 0.00 56.01 52.56 1hk6 n LEU 38 Cb 0.16 -1.29 -0.10 0.00 0.00 0.00 0.00 43.42 42.19 1hk6 n LEU 38 CO 0.30 0.37 0.09 0.16 0.00 0.00 0.00 177.39 178.30 1hk6 h ILE 39 N 4.08 1.29 -3.99 1.96 3.07 -1.69 -3.45 117.51 118.78 1hk6 h ILE 39 Ca 0.51 -2.27 -0.69 0.00 1.55 0.00 0.00 64.86 63.96 1hk6 h ILE 39 Cb 0.55 2.39 -0.24 0.00 -0.27 0.00 0.00 36.82 39.25 1hk6 h ILE 39 CO 1.85 0.70 -0.77 -0.83 -1.05 0.00 0.00 178.15 178.05 1hk6 s GLY 40 N -4.31 1.52 -0.15 0.16 0.00 -1.26 -4.98 107.32 98.31 1hk6 s GLY 40 Ca -0.09 -0.98 -0.08 0.00 0.00 0.00 0.00 44.72 43.57 1hk6 s GLY 40 CO 0.92 -0.73 0.36 -2.27 0.00 0.00 0.00 173.10 171.39 1hk6 s LEU 41 N -0.64 0.05 -0.16 0.66 1.98 -1.26 -0.82 118.68 118.49 1hk6 s LEU 41 Ca 0.10 0.79 -0.13 0.00 -2.89 0.00 0.00 54.13 51.99 1hk6 s LEU 41 Cb -0.11 1.18 0.05 0.00 0.66 0.00 0.00 46.19 47.96 1hk6 s LEU 41 CO 0.01 -0.19 0.42 0.42 -1.89 0.00 0.00 176.35 175.12 1hk6 s THR 42 N 1.35 -0.01 -0.10 3.68 -4.23 -1.20 -2.57 115.64 112.56 1hk6 s THR 42 Ca -0.09 0.03 0.02 0.00 -1.18 0.00 0.00 61.69 60.46 1hk6 s THR 42 Cb -0.09 -0.59 0.01 0.00 1.34 0.00 0.00 72.50 73.17 1hk6 s THR 42 CO -0.11 0.01 -0.15 -0.63 -0.54 0.00 0.00 174.62 173.19 1hk6 s ILE 43 N 0.57 1.50 -1.45 2.99 1.01 -0.55 -2.45 121.20 122.81 1hk6 s ILE 43 Ca -0.03 -0.65 -0.09 0.00 0.00 0.00 0.00 60.65 59.89 1hk6 s ILE 43 Cb -0.04 -1.36 0.03 0.00 0.01 0.00 0.00 42.46 41.09 1hk6 s ILE 43 CO -0.03 0.44 0.95 0.00 0.00 0.00 0.00 174.94 176.30 1hk6 n GLY 45 N -1.78 -0.29 3.00 0.00 0.00 -1.26 -2.41 105.19 102.45 1hk6 n GLY 45 Ca -0.02 -0.07 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.02 1.09 0.18 1.61 5.65 -0.68 -4.83 115.29 115.29 1hk6 s HIS 46 Ca 0.20 -0.32 -0.30 0.00 0.25 0.00 0.00 55.06 54.89 1hk6 s HIS 46 Cb -0.09 -0.80 -0.09 0.00 -1.18 0.00 0.00 32.58 30.42 1hk6 s HIS 46 CO 0.25 -0.16 1.37 1.21 -0.65 0.00 0.00 174.74 176.75 1hk6 s ASN 47 N 0.41 6.82 -0.21 9.88 2.47 -1.26 -1.49 114.94 131.56 1hk6 s ASN 47 Ca -0.07 2.43 0.13 0.00 0.42 0.00 0.00 52.86 55.76 1hk6 s ASN 47 Cb -0.11 -2.60 0.33 0.00 -1.45 0.00 0.00 41.25 37.41 1hk6 s ASN 47 CO 0.01 -0.61 1.30 0.00 -3.72 0.00 0.00 177.10 174.09 1hk6 h LEU 49 N 1.04 0.35 -1.03 0.00 7.12 -1.91 -1.93 115.31 118.96 1hk6 h LEU 49 Ca -0.40 -0.85 0.16 0.00 0.13 0.00 0.00 57.88 56.92 1hk6 h LEU 49 Cb 1.38 -0.11 -0.10 0.00 -0.53 0.00 0.00 40.66 41.30 1hk6 h LEU 49 CO -0.12 1.16 0.62 0.17 -0.13 0.00 0.00 178.44 180.14 1hk6 h LEU 50 N -0.42 0.83 0.14 2.25 -0.00 -1.93 -1.29 115.31 114.91 1hk6 h LEU 50 Ca -0.07 0.07 -0.29 0.00 -0.00 0.00 0.00 57.88 57.60 1hk6 h LEU 50 Cb 1.27 -0.08 0.01 0.00 -0.00 0.00 0.00 40.66 41.86 1hk6 h LEU 50 CO 0.09 0.36 -1.31 0.71 -0.00 0.00 0.00 178.44 178.30 1hk6 h THR 51 N 0.85 1.44 -3.07 0.15 1.35 -1.96 -3.46 112.91 108.20 1hk6 h THR 51 Ca 0.54 -2.99 -0.57 0.00 -0.55 0.00 0.00 66.41 62.83 1hk6 h THR 51 Cb 0.74 2.94 0.10 0.00 -1.73 0.00 0.00 68.15 70.20 1hk6 h THR 51 CO -0.32 0.88 0.52 0.00 -0.25 0.00 0.00 175.52 176.34 1hk6 n ALA 52 N -2.57 1.17 -3.32 6.62 0.00 -0.49 -4.74 120.51 117.18 1hk6 n ALA 52 Ca -0.10 0.38 -0.27 0.00 0.00 0.00 0.00 53.44 53.45 1hk6 n ALA 52 Cb 1.04 -2.25 -0.17 0.00 0.00 0.00 0.00 19.45 18.07 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 -1.40 2.07 0.43 0.00 2.12 0.05 -4.94 118.70 117.03 1hk6 s GLU 53 Ca 0.59 -0.56 -0.20 0.00 0.36 0.00 0.00 54.97 55.16 1hk6 s GLU 53 Cb -0.60 -1.66 -0.10 0.00 0.26 0.00 0.00 34.13 32.03 1hk6 s GLU 53 CO 0.58 0.10 0.94 -0.46 -0.54 0.00 0.00 175.26 175.88 1hk6 s TRP 54 N 0.50 3.33 0.00 5.30 -0.00 -1.26 -2.74 118.94 124.07 1hk6 s TRP 54 Ca -0.14 1.57 0.00 0.00 -0.00 0.00 0.00 56.10 57.52 1hk6 s TRP 54 Cb -0.16 -2.82 0.00 0.00 -0.00 0.00 0.00 33.47 30.49 1hk6 s TRP 54 CO 0.05 -0.13 0.00 -1.33 -0.00 0.00 0.00 176.95 175.54 1hk6 n MET 55 N -0.75 0.00 -3.84 5.86 2.81 -1.23 -4.95 117.12 115.02 1hk6 n MET 55 Ca 0.07 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 55.91 1hk6 n MET 55 Cb 0.54 -0.18 0.01 0.00 -0.71 0.00 0.00 33.22 32.88 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 -2.92 -0.05 0.00 7.83 0.15 -1.16 -4.97 113.70 112.57 1hk6 s SER 56 Ca 0.00 -0.73 -0.02 0.00 0.70 0.00 0.00 55.95 55.91 1hk6 s SER 56 Cb 0.00 0.59 -0.08 0.00 -1.71 0.00 0.00 66.02 64.83 1hk6 s SER 56 CO 0.00 -1.16 2.21 0.00 1.20 0.00 0.00 173.24 175.49 1hk6 n ALA 57 N -0.60 4.31 0.00 5.45 0.00 -1.25 -3.45 120.51 124.97 1hk6 n ALA 57 Ca -0.05 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.86 1hk6 n ALA 57 Cb 0.60 -1.53 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 1.91 0.00 -4.73 0.00 3.41 -1.26 -1.86 113.62 111.09 1hk6 n SER 58 Ca 0.12 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.36 1hk6 n SER 58 Cb 0.55 0.05 -0.06 0.00 -0.26 0.00 0.00 64.21 64.49 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 -1.27 4.28 -0.23 4.33 2.20 -1.22 -2.77 119.74 125.07 1hk6 s LYS 59 Ca 0.00 0.30 -0.03 0.00 -0.36 0.00 0.00 55.97 55.88 1hk6 s LYS 59 Cb 0.00 -3.42 0.12 0.00 -1.51 0.00 0.00 37.83 33.02 1hk6 s LYS 59 CO 0.00 0.22 0.36 0.42 -0.36 0.00 0.00 175.35 175.99 1hk6 s ILE 60 N 0.46 -0.56 -0.12 5.43 1.01 -1.17 -3.01 121.20 123.23 1hk6 s ILE 60 Ca 0.22 -0.03 -0.25 0.00 0.00 0.00 0.00 60.65 60.59 1hk6 s ILE 60 Cb -0.14 -0.76 -0.02 0.00 0.01 0.00 0.00 42.46 41.55 1hk6 s ILE 60 CO 0.08 -0.10 0.82 -0.69 0.00 0.00 0.00 174.94 175.05 1hk6 s VAL 61 N 2.52 4.92 -0.17 2.92 1.01 -1.11 -2.69 120.40 127.80 1hk6 s VAL 61 Ca 0.10 1.64 -0.30 0.00 0.00 0.00 0.00 61.98 63.41 1hk6 s VAL 61 Cb -0.15 -4.14 0.14 0.00 0.00 0.00 0.00 36.38 32.23 1hk6 s VAL 61 CO -0.15 0.10 1.07 0.00 0.00 0.00 0.00 175.10 176.12 1hk6 s ARG 63 N -1.30 4.51 0.21 0.00 1.70 -1.26 -3.44 118.95 119.37 1hk6 s ARG 63 Ca 0.01 1.11 -0.32 0.00 -0.47 0.00 0.00 55.73 56.07 1hk6 s ARG 63 Cb -0.01 -3.41 -0.12 0.00 -0.57 0.00 0.00 34.95 30.85 1hk6 s ARG 63 CO -0.01 0.15 1.73 0.14 -1.08 0.00 0.00 175.30 176.23 1hk6 s VAL 64 N 0.40 2.01 0.61 4.99 -7.23 -1.03 -4.96 120.40 115.19 1hk6 s VAL 64 Ca 0.42 0.01 -0.16 0.00 -1.81 0.00 0.00 61.98 60.44 1hk6 s VAL 64 Cb -0.20 -3.00 -0.02 0.00 0.56 0.00 0.00 36.38 33.71 1hk6 s VAL 64 CO 0.23 0.00 1.08 -0.83 -0.31 0.00 0.00 175.10 175.27 1hk6 s GLY 65 N 1.18 2.16 0.56 2.32 0.00 -1.26 -4.26 107.32 108.02 1hk6 s GLY 65 Ca 0.75 0.47 -0.18 0.00 0.00 0.00 0.00 44.72 45.75 1hk6 s GLY 65 CO 0.32 0.80 0.59 0.61 0.00 0.00 0.00 173.10 175.42 1hk6 n GLN 66 N -2.14 0.58 -0.87 2.90 10.64 -1.26 -4.67 117.38 122.57 1hk6 n GLN 66 Ca 0.09 0.22 -0.25 0.00 -1.83 0.00 0.00 57.00 55.24 1hk6 n GLN 66 Cb 0.52 -1.76 -0.03 0.00 -0.86 0.00 0.00 30.24 28.12 1hk6 n GLN 66 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1hk6 n ALA 67 N -1.64 5.37 -0.12 2.61 0.00 -1.26 -4.60 120.51 120.87 1hk6 n ALA 67 Ca 0.12 -2.28 -0.05 0.00 0.00 0.00 0.00 53.44 51.22 1hk6 n ALA 67 Cb 0.47 -3.03 0.03 0.00 0.00 0.00 0.00 19.45 16.92 1hk6 n ALA 67 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1hk6 h LYS 68 N 5.82 0.23 0.00 0.00 3.11 -1.77 -3.41 116.57 120.54 1hk6 h LYS 68 Ca 0.55 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 58.38 1hk6 h LYS 68 Cb 0.26 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.44 1hk6 h LYS 68 CO 1.43 0.15 0.00 0.09 -2.81 0.00 0.00 179.45 178.31 1hk6 n ASN 69 N -5.07 0.00 0.00 4.20 4.13 -1.04 -5.02 115.26 112.45 1hk6 n ASN 69 Ca 0.03 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.29 1hk6 n ASN 69 Cb 0.17 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.41 1hk6 n ASN 69 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1hk6 n ASP 70 N 0.00 0.00 -0.27 6.41 2.03 -1.26 -4.94 116.55 118.51 1hk6 n ASP 70 Ca 0.00 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.26 1hk6 n ASP 70 Cb 0.00 0.01 0.06 0.00 -0.72 0.00 0.00 41.12 40.47 1hk6 n ASP 70 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1hk6 h LYS 71 N 0.00 0.99 -1.80 -0.67 3.64 -1.97 -3.47 116.57 113.29 1hk6 h LYS 71 Ca 0.00 -0.07 -0.10 0.00 -1.27 0.00 0.00 60.65 59.21 1hk6 h LYS 71 Cb 0.00 -0.22 0.02 0.00 -0.41 0.00 0.00 32.23 31.62 1hk6 h LYS 71 CO 0.00 0.67 -0.16 0.41 -2.27 0.00 0.00 179.45 178.10 1hk6 n GLY 72 N -1.27 0.48 3.74 5.01 0.00 -1.26 -4.58 105.19 107.31 1hk6 n GLY 72 Ca 0.07 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 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 -3.00 7.26 -0.89 1.61 2.15 -1.26 -2.23 116.67 120.31 1hk6 s ASP 73 Ca 0.11 2.14 -0.22 0.00 0.43 0.00 0.00 52.55 55.01 1hk6 s ASP 73 Cb -0.05 -2.61 0.08 0.00 -0.30 0.00 0.00 42.92 40.05 1hk6 s ASP 73 CO 0.13 -0.21 1.23 -0.63 -0.17 0.00 0.00 175.17 175.52 1hk6 s ILE 74 N -0.46 4.27 0.16 4.11 1.01 -1.26 -3.64 121.20 125.39 1hk6 s ILE 74 Ca 0.48 -0.87 -0.28 0.00 0.00 0.00 0.00 60.65 59.98 1hk6 s ILE 74 Cb -0.30 -4.88 -0.07 0.00 0.01 0.00 0.00 42.46 37.22 1hk6 s ILE 74 CO 0.36 -1.69 0.87 -0.63 0.00 0.00 0.00 174.94 173.86 1hk6 s ILE 75 N 4.04 4.36 -0.22 2.92 -1.09 -1.02 -4.55 121.20 125.65 1hk6 s ILE 75 Ca 0.36 1.91 -0.04 0.00 -2.23 0.00 0.00 60.65 60.64 1hk6 s ILE 75 Cb -0.06 -4.24 0.08 0.00 -1.58 0.00 0.00 42.46 36.67 1hk6 s ILE 75 CO -0.04 0.44 0.14 -0.69 -1.23 0.00 0.00 174.94 173.56 1hk6 s VAL 76 N -0.69 -0.15 0.27 2.92 1.01 -1.25 -3.22 120.40 119.29 1hk6 s VAL 76 Ca 0.41 -0.33 -0.24 0.00 0.00 0.00 0.00 61.98 61.82 1hk6 s VAL 76 Cb -0.24 -0.73 -0.09 0.00 0.00 0.00 0.00 36.38 35.33 1hk6 s VAL 76 CO 0.28 -0.39 0.86 -0.89 0.00 0.00 0.00 175.10 174.96 1hk6 s THR 77 N 2.18 4.32 -0.02 3.92 2.01 -0.00 0.32 115.64 128.36 1hk6 s THR 77 Ca 0.05 1.67 -0.01 0.00 0.31 0.00 0.00 61.69 63.72 1hk6 s THR 77 Cb -0.16 -4.01 0.02 0.00 0.01 0.00 0.00 72.50 68.36 1hk6 s THR 77 CO -0.18 0.24 0.05 0.42 -0.69 0.00 0.00 174.62 174.45 1hk6 s THR 78 N -1.50 -0.03 0.23 -0.82 -4.23 -0.89 -4.02 115.64 104.37 1hk6 s THR 78 Ca 0.46 0.11 -0.07 0.00 -1.18 0.00 0.00 61.69 61.00 1hk6 s THR 78 Cb -0.19 -0.10 0.18 0.00 1.34 0.00 0.00 72.50 73.73 1hk6 s THR 78 CO 0.24 0.04 1.80 0.11 -0.54 0.00 0.00 174.62 176.27 1hk6 h LYS 79 N 6.71 0.66 -0.08 3.99 1.57 -1.56 -2.19 116.57 125.68 1hk6 h LYS 79 Ca -0.35 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.38 1hk6 h LYS 79 Cb 1.16 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 33.32 1hk6 h LYS 79 CO 0.47 0.44 0.02 0.77 -0.57 0.00 0.00 179.45 180.58 1hk6 h SER 80 N 0.68 0.11 0.00 0.86 0.02 -1.96 -3.45 113.55 109.82 1hk6 h SER 80 Ca 0.35 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1hk6 h SER 80 Cb 0.30 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.81 1hk6 h SER 80 CO -0.23 0.31 0.00 0.61 -1.14 0.00 0.00 176.83 176.37 1hk6 n GLY 81 N -0.51 0.80 0.00 -3.77 0.00 -0.84 -4.98 105.19 95.89 1hk6 n GLY 81 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1hk6 n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hk6 n GLY 82 N 5.00 3.63 3.71 -0.02 0.00 -1.13 -4.61 105.19 111.76 1hk6 n GLY 82 Ca 0.00 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 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 4.61 4.24 0.08 1.61 1.02 -1.26 -2.09 119.74 127.96 1hk6 s LYS 83 Ca 0.00 2.25 -0.30 0.00 0.02 0.00 0.00 55.97 57.94 1hk6 s LYS 83 Cb 0.00 -3.36 -0.05 0.00 -0.52 0.00 0.00 37.83 33.90 1hk6 s LYS 83 CO 0.00 -0.60 1.07 0.20 -0.92 0.00 0.00 175.35 175.09 1hk6 s GLY 84 N 1.60 2.78 0.01 -3.33 0.00 0.15 -4.64 107.32 103.89 1hk6 s GLY 84 Ca 0.69 0.70 -0.04 0.00 0.00 0.00 0.00 44.72 46.08 1hk6 s GLY 84 CO 0.31 1.73 0.22 -0.51 0.00 0.00 0.00 173.10 174.85 1hk6 s THR 85 N 0.51 5.38 -0.14 0.90 -4.23 0.10 -3.76 115.64 114.41 1hk6 s THR 85 Ca 0.52 -0.08 -0.08 0.00 -1.18 0.00 0.00 61.69 60.87 1hk6 s THR 85 Cb -0.26 -3.56 0.05 0.00 1.34 0.00 0.00 72.50 70.07 1hk6 s THR 85 CO 0.30 0.31 0.34 -0.55 -0.54 0.00 0.00 174.62 174.48 1hk6 s SER 86 N -1.94 -0.40 0.22 3.99 0.15 -1.26 -2.88 113.70 111.58 1hk6 s SER 86 Ca 0.29 0.72 0.03 0.00 0.70 0.00 0.00 55.95 57.68 1hk6 s SER 86 Cb -0.13 0.63 0.21 0.00 -1.71 0.00 0.00 66.02 65.02 1hk6 s SER 86 CO 0.19 -0.17 1.54 0.71 1.20 0.00 0.00 173.24 176.71 1hk6 h THR 87 N 5.47 1.38 -3.54 6.45 1.35 -1.99 -3.44 112.91 118.58 1hk6 h THR 87 Ca -0.36 -1.98 -0.52 0.00 -0.55 0.00 0.00 66.41 63.00 1hk6 h THR 87 Cb 1.17 1.99 -0.03 0.00 -1.73 0.00 0.00 68.15 69.55 1hk6 h THR 87 CO 0.32 0.59 0.20 0.68 -0.25 0.00 0.00 175.52 177.07 1hk6 s VAL 88 N -3.77 4.36 -0.03 6.82 -7.23 -1.26 -5.07 120.40 114.22 1hk6 s VAL 88 Ca -0.05 1.76 0.06 0.00 -1.81 0.00 0.00 61.98 61.94 1hk6 s VAL 88 Cb 0.12 -4.17 -0.01 0.00 0.56 0.00 0.00 36.38 32.88 1hk6 s VAL 88 CO 0.81 0.50 -0.21 -0.94 -0.31 0.00 0.00 175.10 174.95 1hk6 s SER 89 N -1.04 2.50 -0.08 4.85 1.04 -1.26 -4.43 113.70 115.28 1hk6 s SER 89 Ca 0.37 -0.39 -0.22 0.00 0.48 0.00 0.00 55.95 56.19 1hk6 s SER 89 Cb -0.23 -0.40 -0.04 0.00 0.10 0.00 0.00 66.02 65.45 1hk6 s SER 89 CO 0.27 0.24 0.63 0.12 0.98 0.00 0.00 173.24 175.48 1hk6 s PHE 90 N -0.37 3.56 -0.18 5.02 5.36 -0.94 -5.02 117.98 125.40 1hk6 s PHE 90 Ca 0.05 1.14 -0.20 0.00 -0.96 0.00 0.00 56.93 56.96 1hk6 s PHE 90 Cb -0.09 -2.72 -0.03 0.00 -0.34 0.00 0.00 43.02 39.83 1hk6 s PHE 90 CO 0.00 0.12 0.57 0.21 -1.46 0.00 0.00 175.22 174.65 1hk6 s LYS 91 N 0.73 4.23 -0.16 10.12 2.20 -1.26 -4.65 119.74 130.95 1hk6 s LYS 91 Ca 0.34 0.52 -0.24 0.00 -0.36 0.00 0.00 55.97 56.23 1hk6 s LYS 91 Cb -0.17 -3.54 -0.02 0.00 -1.51 0.00 0.00 37.83 32.59 1hk6 s LYS 91 CO 0.16 -0.13 0.79 -0.51 -0.36 0.00 0.00 175.35 175.30 1hk6 s LEU 92 N 1.55 4.19 0.04 5.43 2.01 -1.26 -3.23 118.68 127.40 1hk6 s LEU 92 Ca 0.27 1.13 -0.22 0.00 0.01 0.00 0.00 54.13 55.32 1hk6 s LEU 92 Cb -0.16 -3.17 -0.06 0.00 0.01 0.00 0.00 46.19 42.81 1hk6 s LEU 92 CO 0.11 -0.35 0.66 -0.76 1.01 0.00 0.00 176.35 177.02 1hk6 s LEU 93 N 1.95 4.46 0.19 1.79 1.43 -1.23 -4.94 118.68 122.33 1hk6 s LEU 93 Ca 0.37 1.31 -0.31 0.00 -1.03 0.00 0.00 54.13 54.47 1hk6 s LEU 93 Cb -0.17 -3.05 -0.10 0.00 0.03 0.00 0.00 46.19 42.91 1hk6 s LEU 93 CO 0.13 0.11 1.52 -0.75 0.23 0.00 0.00 176.35 177.59 1hk6 s LYS 94 N -0.39 4.24 0.10 1.70 2.20 -1.26 -4.17 119.74 122.16 1hk6 s LYS 94 Ca 0.33 2.33 -0.34 0.00 -0.36 0.00 0.00 55.97 57.93 1hk6 s LYS 94 Cb -0.20 -3.15 -0.13 0.00 -1.51 0.00 0.00 37.83 32.85 1hk6 s LYS 94 CO 0.20 -0.54 1.68 -2.30 -0.36 0.00 0.00 175.35 174.03 1hk6 n PRO 95 N 3.44 2.25 -1.99 4.03 -0.02 -1.26 -4.88 135.00 136.57 1hk6 n PRO 95 Ca 0.11 0.82 -0.43 0.00 -2.02 0.00 0.00 63.50 61.98 1hk6 n PRO 95 Cb 0.39 -2.62 -0.03 0.00 -0.02 0.00 0.00 33.50 31.23 1hk6 n PRO 95 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1hk6 s GLU 96 N 1.84 3.46 0.00 -0.52 0.41 -1.26 -5.22 118.70 117.41 1hk6 s GLU 96 Ca 0.82 1.57 0.32 0.00 -0.41 0.00 0.00 54.97 57.27 1hk6 s GLU 96 Cb -0.65 -4.17 1.91 0.00 -1.78 0.00 0.00 34.13 29.44 1hk6 s GLU 96 CO 0.41 -1.70 2.23 1.63 -0.49 0.00 0.00 175.26 177.33