#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 2.41 -1.90 -0.41 2.00 -1.26 -4.88 117.12 113.08 1hk6 n MET 4 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 57.70 57.29 1hk6 n MET 4 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 33.22 33.21 1hk6 n MET 4 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 1hk6 s ARG 5 N 0.00 4.19 0.34 0.03 0.52 -1.26 -4.94 118.95 117.84 1hk6 s ARG 5 Ca 0.00 2.44 -0.29 0.00 -0.52 0.00 0.00 55.73 57.36 1hk6 s ARG 5 Cb 0.00 -3.04 -0.11 0.00 0.52 0.00 0.00 34.95 32.32 1hk6 s ARG 5 CO 0.00 -0.48 1.54 -0.65 0.02 0.00 0.00 175.30 175.73 1hk6 s GLN 6 N -1.08 4.11 0.45 3.54 -0.21 -1.26 -4.79 119.66 120.42 1hk6 s GLN 6 Ca 0.57 2.59 -0.25 0.00 0.02 0.00 0.00 55.36 58.29 1hk6 s GLN 6 Cb -0.45 -2.99 -0.08 0.00 1.00 0.00 0.00 33.01 30.49 1hk6 s GLN 6 CO 0.51 -0.59 1.41 -0.35 -2.12 0.00 0.00 175.29 174.15 1hk6 n PRO 7 N 1.23 2.19 -1.67 2.91 -0.04 -1.26 -4.90 135.00 133.46 1hk6 n PRO 7 Ca 0.04 0.78 -0.46 0.00 -0.04 0.00 0.00 63.50 63.82 1hk6 n PRO 7 Cb 0.38 -2.59 -0.04 0.00 -0.04 0.00 0.00 33.50 31.21 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 -0.18 2.13 -3.90 0.54 -0.02 -1.26 -4.76 135.00 127.55 1hk6 n PRO 8 Ca 0.06 0.77 -0.35 0.00 -2.02 0.00 0.00 63.50 61.96 1hk6 n PRO 8 Cb 0.41 -2.54 -0.14 0.00 -0.02 0.00 0.00 33.50 31.22 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 0.98 4.09 0.09 2.45 2.96 0.01 -0.31 118.68 128.95 1hk6 s LEU 9 Ca 0.79 -1.42 -0.25 0.00 -0.22 0.00 0.00 54.13 53.04 1hk6 s LEU 9 Cb -0.69 -1.72 -0.07 0.00 0.50 0.00 0.00 46.19 44.22 1hk6 s LEU 9 CO 0.38 -0.30 0.76 -0.69 -1.32 0.00 0.00 176.35 175.18 1hk6 s VAL 10 N 1.21 4.59 -0.37 1.68 1.01 -0.46 0.10 120.40 128.16 1hk6 s VAL 10 Ca -0.03 1.63 0.06 0.00 0.00 0.00 0.00 61.98 63.64 1hk6 s VAL 10 Cb -0.20 -4.11 0.27 0.00 0.00 0.00 0.00 36.38 32.34 1hk6 s VAL 10 CO -0.02 0.44 1.24 1.07 0.00 0.00 0.00 175.10 177.83 1hk6 n THR 11 N 2.26 0.00 -3.64 3.92 5.66 -0.63 -3.65 114.28 118.20 1hk6 n THR 11 Ca -0.04 -1.16 -0.06 0.00 -3.05 0.00 0.00 64.05 59.74 1hk6 n THR 11 Cb 0.50 0.89 -0.07 0.00 -1.55 0.00 0.00 70.33 70.10 1hk6 n THR 11 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1hk6 s GLY 12 N -0.80 -0.00 -0.28 1.09 0.00 0.13 -4.80 107.32 102.65 1hk6 s GLY 12 Ca 0.15 2.98 -0.18 0.00 0.00 0.00 0.00 44.72 47.68 1hk6 s GLY 12 CO -0.07 2.10 0.87 -1.50 0.00 0.00 0.00 173.10 174.50 1hk6 s ILE 13 N 0.55 0.00 -0.02 0.90 2.07 -1.26 -1.17 121.20 122.27 1hk6 s ILE 13 Ca -0.00 0.00 -0.21 0.00 -1.41 0.00 0.00 60.65 59.03 1hk6 s ILE 13 Cb -0.04 -1.00 -0.13 0.00 0.13 0.00 0.00 42.46 41.42 1hk6 s ILE 13 CO -0.10 0.00 0.91 -1.28 -1.91 0.00 0.00 174.94 172.55 1hk6 h SER 14 N 6.08 -0.52 -3.59 4.50 0.87 -1.97 -3.42 113.55 115.50 1hk6 h SER 14 Ca -0.29 -0.05 -0.65 0.00 -1.23 0.00 0.00 61.79 59.57 1hk6 h SER 14 Cb 1.20 0.14 -0.15 0.00 -0.44 0.00 0.00 62.40 63.14 1hk6 h SER 14 CO 0.16 -0.10 -0.00 -2.16 -0.53 0.00 0.00 176.83 174.20 1hk6 s PRO 15 N -3.98 3.49 -0.38 2.24 0.04 -1.26 -4.93 135.00 130.21 1hk6 s PRO 15 Ca -0.11 -0.25 0.02 0.00 0.04 0.00 0.00 61.00 60.70 1hk6 s PRO 15 Cb 0.01 -3.86 0.50 0.00 0.04 0.00 0.00 34.50 31.19 1hk6 s PRO 15 CO 0.37 -0.76 1.78 0.27 0.04 0.00 0.00 177.00 178.70 1hk6 n ASN 16 N 5.89 4.19 -3.62 6.66 2.04 -1.26 -4.82 115.26 124.33 1hk6 n ASN 16 Ca -0.04 -3.31 0.03 0.00 -0.44 0.00 0.00 54.58 50.82 1hk6 n ASN 16 Cb 0.48 -0.81 -0.06 0.00 -2.53 0.00 0.00 39.78 36.87 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 -2.68 0.02 0.00 -3.83 -1.05 -1.26 -4.47 118.70 105.43 1hk6 s GLU 17 Ca 0.46 0.03 0.00 0.00 -0.15 0.00 0.00 54.97 55.32 1hk6 s GLU 17 Cb 0.38 0.01 0.00 0.00 -0.44 0.00 0.00 34.13 34.08 1hk6 s GLU 17 CO 0.07 -0.00 0.00 0.41 0.95 0.00 0.00 175.26 176.69 1hk6 n GLY 18 N 3.13 2.89 3.44 -3.83 0.00 -1.25 -5.02 105.19 104.56 1hk6 n GLY 18 Ca -0.16 -0.36 -0.33 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.70 0.00 -0.34 -0.61 -5.35 -1.26 -3.31 119.36 107.80 1hk6 n ILE 19 Ca 0.00 -0.17 0.20 0.00 -0.27 0.00 0.00 62.75 62.51 1hk6 n ILE 19 Cb 0.00 -0.67 0.44 0.00 -1.74 0.00 0.00 39.64 37.67 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 -1.63 0.47 0.00 6.28 0.11 -1.76 0.34 132.00 135.80 1hk6 h PRO 20 Ca -0.44 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1hk6 h PRO 20 Cb 1.28 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1hk6 h PRO 20 CO 0.35 0.31 -0.07 -1.49 -0.21 0.00 0.00 178.00 176.90 1hk6 h TRP 21 N 0.49 0.00 -2.30 0.65 4.06 -1.89 -2.58 115.95 114.38 1hk6 h TRP 21 Ca 0.65 0.00 -0.58 0.00 2.06 0.00 0.00 58.89 61.02 1hk6 h TRP 21 Cb 1.40 0.00 0.05 0.00 -1.00 0.00 0.00 29.16 29.61 1hk6 h TRP 21 CO -0.01 0.07 0.90 2.41 -3.56 0.00 0.00 178.44 178.25 1hk6 n THR 22 N -3.16 0.13 -2.28 1.49 -1.04 0.12 -4.80 114.28 104.73 1hk6 n THR 22 Ca 0.01 -0.02 -0.39 0.00 -2.04 0.00 0.00 64.05 61.61 1hk6 n THR 22 Cb 0.39 -1.70 -0.02 0.00 -1.82 0.00 0.00 70.33 67.18 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 1.61 4.23 -0.03 -2.82 2.20 -1.26 -3.63 119.74 120.05 1hk6 s LYS 23 Ca 0.81 1.93 -0.01 0.00 -0.36 0.00 0.00 55.97 58.34 1hk6 s LYS 23 Cb -0.64 -2.87 0.03 0.00 -1.51 0.00 0.00 37.83 32.84 1hk6 s LYS 23 CO 0.39 -0.19 0.04 0.14 -0.36 0.00 0.00 175.35 175.37 1hk6 s VAL 24 N -1.30 -0.06 -1.05 4.02 -7.23 -1.22 -4.84 120.40 108.72 1hk6 s VAL 24 Ca 0.53 0.28 -0.20 0.00 -1.81 0.00 0.00 61.98 60.78 1hk6 s VAL 24 Cb -0.33 -0.12 0.09 0.00 0.56 0.00 0.00 36.38 36.57 1hk6 s VAL 24 CO 0.43 0.13 1.39 -0.89 -0.31 0.00 0.00 175.10 175.85 1hk6 s THR 25 N 1.46 4.27 0.22 5.32 2.01 -1.26 -3.88 115.64 123.78 1hk6 s THR 25 Ca -0.04 -1.31 -0.32 0.00 0.31 0.00 0.00 61.69 60.33 1hk6 s THR 25 Cb -0.13 -4.99 -0.14 0.00 0.01 0.00 0.00 72.50 67.26 1hk6 s THR 25 CO -0.03 -1.80 1.43 -0.38 -0.69 0.00 0.00 174.62 173.15 1hk6 n ILE 26 N 6.23 0.76 -3.84 1.82 2.08 -1.06 -4.23 119.36 121.12 1hk6 n ILE 26 Ca 0.33 -0.19 -0.13 0.00 0.56 0.00 0.00 62.75 63.32 1hk6 n ILE 26 Cb 0.49 -1.47 -0.14 0.00 -0.75 0.00 0.00 39.64 37.77 1hk6 n ILE 26 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 1hk6 s ARG 27 N -0.16 0.01 0.00 0.38 1.81 -0.32 -2.61 118.95 118.07 1hk6 s ARG 27 Ca 0.70 0.07 0.00 0.00 -1.72 0.00 0.00 55.73 54.79 1hk6 s ARG 27 Cb -0.66 -0.06 0.00 0.00 -0.45 0.00 0.00 34.95 33.78 1hk6 s ARG 27 CO 0.47 -0.05 0.00 0.41 -0.68 0.00 0.00 175.30 175.46 1hk6 n GLY 28 N 3.38 2.19 3.25 -3.53 0.00 -1.25 -0.69 105.19 108.54 1hk6 n GLY 28 Ca -0.16 0.08 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 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 4.41 0.41 -1.22 1.61 2.02 0.11 -4.72 118.70 121.32 1hk6 s GLU 29 Ca 0.00 0.62 -0.07 0.00 0.02 0.00 0.00 54.97 55.54 1hk6 s GLU 29 Cb 0.00 0.10 0.01 0.00 0.10 0.00 0.00 34.13 34.34 1hk6 s GLU 29 CO 0.00 -0.10 1.06 0.09 0.02 0.00 0.00 175.26 176.33 1hk6 n ASN 30 N 3.49 -5.36 -2.28 -0.19 3.02 -0.76 -0.81 115.26 112.36 1hk6 n ASN 30 Ca -0.18 -0.51 -0.19 0.00 -0.03 0.00 0.00 54.58 53.68 1hk6 n ASN 30 Cb 0.56 -4.68 -0.13 0.00 -0.61 0.00 0.00 39.78 34.93 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 -4.51 5.94 -0.64 3.41 4.32 -0.96 -4.00 117.00 120.56 1hk6 n LEU 31 Ca -0.04 -3.55 0.00 0.00 -0.02 0.00 0.00 56.01 52.40 1hk6 n LEU 31 Cb 0.57 -1.39 0.00 0.00 -1.62 0.00 0.00 43.42 40.98 1hk6 n LEU 31 CO 0.59 1.75 -0.09 0.61 -1.22 0.00 0.00 177.39 179.03 1hk6 n GLY 32 N 2.20 -3.87 2.15 -0.72 0.00 -1.26 -4.64 105.19 99.05 1hk6 n GLY 32 Ca 0.48 -0.74 -0.23 0.00 0.00 0.00 0.00 46.02 45.53 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 0.13 3.10 0.00 2.61 -2.24 -1.26 -3.92 114.28 112.69 1hk6 n THR 33 Ca 0.00 -2.30 0.00 0.00 -2.27 0.00 0.00 64.05 59.48 1hk6 n THR 33 Cb 0.00 -1.35 0.00 0.00 -2.10 0.00 0.00 70.33 66.88 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 0.17 2.13 0.20 3.38 0.00 -1.26 -4.97 105.19 104.83 1hk6 n GLY 34 Ca 0.41 -0.16 -0.05 0.00 0.00 0.00 0.00 46.02 46.23 1hk6 n GLY 34 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1hk6 h PRO 35 N 0.00 0.45 -0.54 1.61 0.11 -1.94 -2.04 132.00 129.65 1hk6 h PRO 35 Ca 0.00 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.05 1hk6 h PRO 35 Cb 0.00 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 30.98 1hk6 h PRO 35 CO 0.00 0.30 0.21 0.00 -0.21 0.00 0.00 178.00 178.30 1hk6 h THR 36 N 0.46 1.20 -0.63 -1.15 1.03 -2.00 -2.75 112.91 109.08 1hk6 h THR 36 Ca 0.21 -0.63 0.10 0.00 -0.01 0.00 0.00 66.41 66.08 1hk6 h THR 36 Cb 0.12 0.56 -0.07 0.00 -1.07 0.00 0.00 68.15 67.69 1hk6 h THR 36 CO -0.15 0.25 0.24 0.44 -0.01 0.00 0.00 175.52 176.29 1hk6 h ASP 37 N 0.77 0.25 -3.09 0.00 3.32 -1.75 -3.41 116.42 112.52 1hk6 h ASP 37 Ca 0.19 0.08 -0.53 0.00 0.02 0.00 0.00 57.03 56.79 1hk6 h ASP 37 Cb 0.16 0.06 0.03 0.00 0.22 0.00 0.00 39.33 39.80 1hk6 h ASP 37 CO -0.02 0.14 0.72 -0.22 -1.72 0.00 0.00 179.24 178.14 1hk6 s LEU 38 N -10.40 4.38 0.00 1.55 0.20 -1.04 -1.46 118.68 111.91 1hk6 s LEU 38 Ca -0.13 2.37 0.00 0.00 0.69 0.00 0.00 54.13 57.06 1hk6 s LEU 38 Cb 0.17 -3.59 0.00 0.00 -0.43 0.00 0.00 46.19 42.34 1hk6 s LEU 38 CO 0.75 -0.64 0.00 2.30 -0.29 0.00 0.00 176.35 178.47 1hk6 n ILE 39 N 3.61 0.00 -4.15 6.68 -5.35 -1.24 -4.96 119.36 113.95 1hk6 n ILE 39 Ca 0.10 0.00 -0.35 0.00 -0.27 0.00 0.00 62.75 62.23 1hk6 n ILE 39 Cb 0.42 -0.28 -0.09 0.00 -1.74 0.00 0.00 39.64 37.95 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 -3.92 1.92 -0.12 3.28 0.00 -1.24 -5.00 107.32 102.24 1hk6 s GLY 40 Ca 0.00 -0.75 -0.05 0.00 0.00 0.00 0.00 44.72 43.92 1hk6 s GLY 40 CO 0.00 -0.28 0.25 -2.27 0.00 0.00 0.00 173.10 170.80 1hk6 s LEU 41 N -0.40 -0.20 -0.18 0.66 1.98 -1.26 -1.04 118.68 118.24 1hk6 s LEU 41 Ca 0.09 0.55 -0.13 0.00 -2.89 0.00 0.00 54.13 51.74 1hk6 s LEU 41 Cb -0.12 0.64 0.05 0.00 0.66 0.00 0.00 46.19 47.43 1hk6 s LEU 41 CO 0.02 -0.23 0.47 0.42 -1.89 0.00 0.00 176.35 175.13 1hk6 s THR 42 N 2.29 -0.01 -0.36 3.68 -4.23 -1.04 -1.91 115.64 114.06 1hk6 s THR 42 Ca 0.00 0.04 -0.10 0.00 -1.18 0.00 0.00 61.69 60.45 1hk6 s THR 42 Cb -0.12 -0.67 0.02 0.00 1.34 0.00 0.00 72.50 73.07 1hk6 s THR 42 CO -0.08 0.02 0.18 -0.63 -0.54 0.00 0.00 174.62 173.56 1hk6 s ILE 43 N 0.87 4.43 0.00 2.99 1.01 -0.77 -1.70 121.20 128.03 1hk6 s ILE 43 Ca -0.05 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 59.77 1hk6 s ILE 43 Cb -0.06 -3.44 0.00 0.00 0.01 0.00 0.00 42.46 38.98 1hk6 s ILE 43 CO -0.07 -0.17 0.00 0.00 0.00 0.00 0.00 174.94 174.70 1hk6 n GLY 45 N 0.00 0.36 3.74 0.00 0.00 -1.26 -4.46 105.19 103.56 1hk6 n GLY 45 Ca 0.00 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 3.48 0.27 1.61 5.65 -1.13 -4.96 115.29 120.21 1hk6 s HIS 46 Ca 0.00 1.50 -0.29 0.00 0.25 0.00 0.00 55.06 56.51 1hk6 s HIS 46 Cb 0.00 -3.38 -0.09 0.00 -1.18 0.00 0.00 32.58 27.93 1hk6 s HIS 46 CO 0.00 -0.99 1.20 1.21 -0.65 0.00 0.00 174.74 175.51 1hk6 s ASN 47 N -0.03 7.05 -0.31 9.88 2.47 -1.26 -1.85 114.94 130.89 1hk6 s ASN 47 Ca 0.51 2.40 0.17 0.00 0.42 0.00 0.00 52.86 56.36 1hk6 s ASN 47 Cb -0.32 -2.63 0.45 0.00 -1.45 0.00 0.00 41.25 37.30 1hk6 s ASN 47 CO 0.37 -0.34 1.36 0.00 -3.72 0.00 0.00 177.10 174.77 1hk6 h LEU 49 N 1.68 0.53 -0.86 0.00 5.85 -1.91 -2.15 115.31 118.45 1hk6 h LEU 49 Ca -0.32 -0.69 0.17 0.00 0.84 0.00 0.00 57.88 57.89 1hk6 h LEU 49 Cb 1.29 -0.16 -0.11 0.00 0.37 0.00 0.00 40.66 42.05 1hk6 h LEU 49 CO -0.03 1.14 0.41 0.17 -0.34 0.00 0.00 178.44 179.79 1hk6 h LEU 50 N -0.03 0.44 0.13 2.25 -0.00 -1.93 -1.20 115.31 114.97 1hk6 h LEU 50 Ca -0.04 0.12 -0.28 0.00 -0.00 0.00 0.00 57.88 57.67 1hk6 h LEU 50 Cb 1.16 0.06 0.01 0.00 -0.00 0.00 0.00 40.66 41.89 1hk6 h LEU 50 CO 0.10 0.13 -1.28 0.71 -0.00 0.00 0.00 178.44 178.10 1hk6 h THR 51 N 0.53 1.47 -2.70 0.15 1.35 -1.92 -3.46 112.91 108.32 1hk6 h THR 51 Ca 0.50 -3.03 -0.54 0.00 -0.55 0.00 0.00 66.41 62.79 1hk6 h THR 51 Cb 0.81 2.94 0.07 0.00 -1.73 0.00 0.00 68.15 70.23 1hk6 h THR 51 CO -0.43 0.88 0.93 0.00 -0.25 0.00 0.00 175.52 176.66 1hk6 n ALA 52 N -2.55 2.44 -3.42 6.62 0.00 -0.45 -4.46 120.51 118.69 1hk6 n ALA 52 Ca -0.09 0.40 -0.26 0.00 0.00 0.00 0.00 53.44 53.49 1hk6 n ALA 52 Cb 1.03 -2.47 -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 0.73 1.95 0.47 0.00 2.56 0.35 -4.92 118.70 119.84 1hk6 s GLU 53 Ca 0.73 -0.50 -0.22 0.00 0.00 0.00 0.00 54.97 54.99 1hk6 s GLU 53 Cb -0.54 -1.57 -0.08 0.00 2.00 0.00 0.00 34.13 33.94 1hk6 s GLU 53 CO 0.37 0.06 1.08 -0.46 -0.56 0.00 0.00 175.26 175.74 1hk6 s TRP 54 N 0.60 3.00 0.00 5.30 -0.00 -1.26 -2.59 118.94 123.99 1hk6 s TRP 54 Ca -0.15 1.58 0.00 0.00 -0.00 0.00 0.00 56.10 57.53 1hk6 s TRP 54 Cb -0.16 -3.17 0.00 0.00 -0.00 0.00 0.00 33.47 30.14 1hk6 s TRP 54 CO 0.05 -1.00 0.00 -1.33 -0.00 0.00 0.00 176.95 174.66 1hk6 n MET 55 N -0.70 0.00 -3.85 5.86 2.81 -1.24 -4.96 117.12 115.04 1hk6 n MET 55 Ca 0.08 0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 55.91 1hk6 n MET 55 Cb 0.51 -0.17 -0.02 0.00 -0.71 0.00 0.00 33.22 32.83 1hk6 n MET 55 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1hk6 s SER 56 N -2.75 -0.25 0.00 7.83 0.01 -1.22 -5.00 113.70 112.31 1hk6 s SER 56 Ca 0.00 -0.59 0.00 0.00 1.31 0.00 0.00 55.95 56.67 1hk6 s SER 56 Cb 0.00 0.71 0.00 0.00 0.21 0.00 0.00 66.02 66.94 1hk6 s SER 56 CO 0.00 -1.31 0.95 0.00 0.41 0.00 0.00 173.24 173.29 1hk6 n ALA 57 N -0.46 2.55 -1.98 1.44 0.00 -1.25 -2.71 120.51 118.10 1hk6 n ALA 57 Ca -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.39 1hk6 n ALA 57 Cb 0.59 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.97 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 0.91 -0.13 -3.64 0.00 3.41 -1.26 -1.83 113.62 111.07 1hk6 n SER 58 Ca 0.00 -0.62 -0.06 0.00 -0.26 0.00 0.00 58.87 57.94 1hk6 n SER 58 Cb 0.37 0.05 -0.07 0.00 -0.26 0.00 0.00 64.21 64.30 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 0.01 0.56 -0.18 4.33 2.20 -1.10 -3.78 119.74 121.78 1hk6 s LYS 59 Ca 0.00 0.93 -0.06 0.00 -0.36 0.00 0.00 55.97 56.48 1hk6 s LYS 59 Cb 0.02 0.13 0.09 0.00 -1.51 0.00 0.00 37.83 36.56 1hk6 s LYS 59 CO -0.01 -0.11 0.36 0.42 -0.36 0.00 0.00 175.35 175.65 1hk6 s ILE 60 N 1.35 -0.56 -0.13 5.43 1.01 -1.07 -3.42 121.20 123.81 1hk6 s ILE 60 Ca -0.08 0.18 -0.26 0.00 0.00 0.00 0.00 60.65 60.49 1hk6 s ILE 60 Cb -0.04 -0.60 -0.02 0.00 0.01 0.00 0.00 42.46 41.80 1hk6 s ILE 60 CO -0.16 0.06 0.85 -0.69 0.00 0.00 0.00 174.94 175.01 1hk6 s VAL 61 N 2.53 4.89 -0.20 2.92 1.01 -1.07 -2.57 120.40 127.92 1hk6 s VAL 61 Ca 0.01 1.70 -0.29 0.00 0.00 0.00 0.00 61.98 63.40 1hk6 s VAL 61 Cb -0.12 -4.16 0.14 0.00 0.00 0.00 0.00 36.38 32.23 1hk6 s VAL 61 CO -0.12 0.07 1.07 0.00 0.00 0.00 0.00 175.10 176.12 1hk6 s ARG 63 N -0.87 4.50 0.12 0.00 1.81 -1.26 -3.43 118.95 119.81 1hk6 s ARG 63 Ca 0.01 1.10 -0.34 0.00 -1.72 0.00 0.00 55.73 54.78 1hk6 s ARG 63 Cb -0.01 -3.43 -0.14 0.00 -0.45 0.00 0.00 34.95 30.92 1hk6 s ARG 63 CO -0.01 0.09 1.61 1.33 -0.68 0.00 0.00 175.30 177.63 1hk6 n VAL 64 N 3.56 0.09 0.00 3.52 0.24 -0.97 -4.97 118.33 119.80 1hk6 n VAL 64 Ca 0.01 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 1hk6 n VAL 64 Cb 0.51 -1.54 0.00 0.00 -1.47 0.00 0.00 33.84 31.34 1hk6 n VAL 64 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1hk6 n GLY 65 N 3.51 -0.06 3.63 7.63 0.00 -1.26 -4.33 105.19 114.32 1hk6 n GLY 65 Ca 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 1hk6 n GLY 65 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1hk6 s GLN 66 N 0.00 0.72 -0.60 1.61 -2.07 -1.26 -4.59 119.66 113.47 1hk6 s GLN 66 Ca 0.00 0.89 -0.26 0.00 -1.82 0.00 0.00 55.36 54.17 1hk6 s GLN 66 Cb 0.00 0.33 -0.08 0.00 -1.09 0.00 0.00 33.01 32.17 1hk6 s GLN 66 CO 0.00 -0.09 2.34 0.00 -1.32 0.00 0.00 175.29 176.22 1hk6 s ALA 67 N 0.46 1.42 0.04 2.60 0.00 -1.26 -4.31 121.76 120.70 1hk6 s ALA 67 Ca -0.00 -0.34 -0.18 0.00 0.00 0.00 0.00 51.96 51.44 1hk6 s ALA 67 Cb -0.05 -4.42 -0.18 0.00 0.00 0.00 0.00 23.12 18.47 1hk6 s ALA 67 CO -0.03 -4.84 1.22 0.87 0.00 0.00 0.00 175.76 172.98 1hk6 h LYS 68 N 16.92 0.50 -2.08 0.00 1.79 -1.84 -3.49 116.57 128.37 1hk6 h LYS 68 Ca -0.16 -0.41 0.23 0.00 -2.18 0.00 0.00 60.65 58.13 1hk6 h LYS 68 Cb 1.17 0.09 -0.08 0.00 -1.58 0.00 0.00 32.23 31.83 1hk6 h LYS 68 CO 1.13 1.05 0.63 0.54 -1.08 0.00 0.00 179.45 181.71 1hk6 s ASN 69 N -6.66 -0.10 0.00 0.86 6.03 -1.26 -5.02 114.94 108.79 1hk6 s ASN 69 Ca -0.13 -0.35 0.00 0.00 -1.03 0.00 0.00 52.86 51.35 1hk6 s ASN 69 Cb 0.05 0.37 0.00 0.00 -3.03 0.00 0.00 41.25 38.64 1hk6 s ASN 69 CO 0.82 -0.70 0.00 0.47 -2.03 0.00 0.00 177.10 175.66 1hk6 n ASP 70 N -0.62 0.00 0.00 3.54 9.92 -1.26 -3.73 116.55 124.39 1hk6 n ASP 70 Ca -0.06 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.20 1hk6 n ASP 70 Cb 0.61 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.09 1hk6 n ASP 70 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 1hk6 n LYS 71 N 0.00 0.00 0.00 -1.24 2.85 -1.26 -5.02 118.16 113.49 1hk6 n LYS 71 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1hk6 n LYS 71 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 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 0.00 0.00 3.77 2.58 0.00 -1.24 -4.82 105.19 105.47 1hk6 n GLY 72 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 6.73 0.07 1.61 1.01 -1.26 -2.32 116.67 122.51 1hk6 s ASP 73 Ca 0.00 2.71 -0.25 0.00 0.71 0.00 0.00 52.55 55.71 1hk6 s ASP 73 Cb 0.00 -2.65 -0.06 0.00 1.01 0.00 0.00 42.92 41.22 1hk6 s ASP 73 CO 0.00 -0.57 0.78 -0.63 0.21 0.00 0.00 175.17 174.96 1hk6 s ILE 74 N -1.00 4.67 -0.02 0.77 1.01 -1.25 0.06 121.20 125.43 1hk6 s ILE 74 Ca 0.50 1.67 0.04 0.00 0.00 0.00 0.00 60.65 62.86 1hk6 s ILE 74 Cb -0.40 -4.13 -0.01 0.00 0.01 0.00 0.00 42.46 37.93 1hk6 s ILE 74 CO 0.52 0.38 -0.14 -0.63 0.00 0.00 0.00 174.94 175.07 1hk6 s ILE 75 N -0.19 1.16 -0.09 2.92 -1.09 -0.69 -4.09 121.20 119.12 1hk6 s ILE 75 Ca 0.39 -0.59 -0.03 0.00 -2.23 0.00 0.00 60.65 58.18 1hk6 s ILE 75 Cb -0.21 -0.99 0.04 0.00 -1.58 0.00 0.00 42.46 39.73 1hk6 s ILE 75 CO 0.24 0.34 0.11 -0.69 -1.23 0.00 0.00 174.94 173.70 1hk6 s VAL 76 N -0.10 -0.17 0.12 2.92 1.01 -1.26 -2.49 120.40 120.44 1hk6 s VAL 76 Ca 0.01 0.26 -0.21 0.00 0.00 0.00 0.00 61.98 62.04 1hk6 s VAL 76 Cb -0.08 -0.31 -0.07 0.00 0.00 0.00 0.00 36.38 35.92 1hk6 s VAL 76 CO 0.01 0.06 0.64 -0.89 0.00 0.00 0.00 175.10 174.92 1hk6 s THR 77 N 2.21 4.63 -0.02 3.92 2.01 -0.21 -0.98 115.64 127.21 1hk6 s THR 77 Ca 0.04 1.34 0.02 0.00 0.31 0.00 0.00 61.69 63.40 1hk6 s THR 77 Cb -0.13 -3.95 0.00 0.00 0.01 0.00 0.00 72.50 68.43 1hk6 s THR 77 CO -0.06 0.50 -0.06 0.42 -0.69 0.00 0.00 174.62 174.73 1hk6 s THR 78 N -1.18 0.54 0.15 -0.82 -4.23 -0.96 -3.59 115.64 105.56 1hk6 s THR 78 Ca 0.33 -0.24 -0.17 0.00 -1.18 0.00 0.00 61.69 60.42 1hk6 s THR 78 Cb -0.20 -0.49 0.00 0.00 1.34 0.00 0.00 72.50 73.15 1hk6 s THR 78 CO 0.21 0.17 1.81 0.11 -0.54 0.00 0.00 174.62 176.38 1hk6 h LYS 79 N 6.32 0.50 0.18 3.99 1.57 -1.60 -2.98 116.57 124.56 1hk6 h LYS 79 Ca -0.32 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.42 1hk6 h LYS 79 Cb 1.18 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1hk6 h LYS 79 CO 0.49 0.33 -0.09 0.77 -0.57 0.00 0.00 179.45 180.39 1hk6 h SER 80 N 0.51 -0.21 0.00 0.86 0.02 -1.97 -3.44 113.55 109.32 1hk6 h SER 80 Ca 0.14 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1hk6 h SER 80 Cb -0.05 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1hk6 h SER 80 CO -0.03 0.07 0.00 0.61 -1.14 0.00 0.00 176.83 176.35 1hk6 n GLY 81 N -0.50 0.63 0.00 -3.77 0.00 -1.14 -4.72 105.19 95.70 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 3.05 3.69 -0.02 0.00 -1.14 -4.74 105.19 111.04 1hk6 n GLY 82 Ca 0.00 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 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 4.34 4.23 0.04 1.61 2.36 -1.26 -2.26 119.74 128.80 1hk6 s LYS 83 Ca 0.00 2.21 -0.30 0.00 -2.55 0.00 0.00 55.97 55.33 1hk6 s LYS 83 Cb 0.00 -3.58 -0.04 0.00 -1.05 0.00 0.00 37.83 33.16 1hk6 s LYS 83 CO 0.00 -0.68 0.99 0.20 1.55 0.00 0.00 175.35 177.42 1hk6 s GLY 84 N 2.19 2.90 0.04 5.54 0.00 -0.15 -4.51 107.32 113.33 1hk6 s GLY 84 Ca 0.70 0.58 -0.02 0.00 0.00 0.00 0.00 44.72 45.98 1hk6 s GLY 84 CO 0.30 1.66 0.23 -0.51 0.00 0.00 0.00 173.10 174.77 1hk6 s THR 85 N 0.73 5.37 -0.14 0.90 -4.23 0.57 -4.06 115.64 114.78 1hk6 s THR 85 Ca 0.51 -0.22 -0.08 0.00 -1.18 0.00 0.00 61.69 60.73 1hk6 s THR 85 Cb -0.22 -3.59 0.05 0.00 1.34 0.00 0.00 72.50 70.07 1hk6 s THR 85 CO 0.29 0.21 0.33 -0.94 -0.54 0.00 0.00 174.62 173.97 1hk6 s SER 86 N -2.24 -0.40 0.08 3.99 1.04 -1.26 -1.35 113.70 113.57 1hk6 s SER 86 Ca 0.32 0.72 0.04 0.00 0.48 0.00 0.00 55.95 57.51 1hk6 s SER 86 Cb -0.13 0.61 -0.24 0.00 0.10 0.00 0.00 66.02 66.36 1hk6 s SER 86 CO 0.24 -0.18 1.14 0.71 0.98 0.00 0.00 173.24 176.13 1hk6 h THR 87 N 5.67 1.52 -3.77 2.02 1.35 -1.94 -3.44 112.91 114.33 1hk6 h THR 87 Ca -0.38 -3.20 -0.49 0.00 -0.55 0.00 0.00 66.41 61.79 1hk6 h THR 87 Cb 1.17 2.82 -0.03 0.00 -1.73 0.00 0.00 68.15 70.38 1hk6 h THR 87 CO 0.33 0.89 0.16 0.68 -0.25 0.00 0.00 175.52 177.34 1hk6 s VAL 88 N -2.68 4.56 -0.01 6.82 -7.23 -1.26 -5.05 120.40 115.56 1hk6 s VAL 88 Ca -0.02 1.19 0.00 0.00 -1.81 0.00 0.00 61.98 61.35 1hk6 s VAL 88 Cb 0.09 -3.70 0.01 0.00 0.56 0.00 0.00 36.38 33.35 1hk6 s VAL 88 CO 0.84 -0.10 0.00 -0.94 -0.31 0.00 0.00 175.10 174.59 1hk6 s SER 89 N -2.06 0.19 0.01 4.85 1.04 -1.26 -3.94 113.70 112.52 1hk6 s SER 89 Ca 0.53 -0.01 -0.24 0.00 0.48 0.00 0.00 55.95 56.71 1hk6 s SER 89 Cb -0.12 -0.08 -0.05 0.00 0.10 0.00 0.00 66.02 65.87 1hk6 s SER 89 CO 0.18 -0.05 0.73 0.12 0.98 0.00 0.00 173.24 175.20 1hk6 s PHE 90 N 0.48 3.69 -0.19 5.02 5.36 -0.98 -4.94 117.98 126.42 1hk6 s PHE 90 Ca -0.04 1.39 -0.21 0.00 -0.96 0.00 0.00 56.93 57.10 1hk6 s PHE 90 Cb -0.07 -2.79 -0.02 0.00 -0.34 0.00 0.00 43.02 39.80 1hk6 s PHE 90 CO -0.01 0.23 0.66 0.21 -1.46 0.00 0.00 175.22 174.85 1hk6 s LYS 91 N 0.17 4.23 -0.04 10.12 2.20 -1.26 -4.60 119.74 130.56 1hk6 s LYS 91 Ca 0.38 0.68 -0.30 0.00 -0.36 0.00 0.00 55.97 56.37 1hk6 s LYS 91 Cb -0.19 -3.57 -0.02 0.00 -1.51 0.00 0.00 37.83 32.53 1hk6 s LYS 91 CO 0.21 -0.24 0.99 -0.51 -0.36 0.00 0.00 175.35 175.44 1hk6 s LEU 92 N 1.90 4.32 -0.15 5.43 2.01 -1.26 -3.82 118.68 127.12 1hk6 s LEU 92 Ca 0.30 1.60 -0.07 0.00 0.01 0.00 0.00 54.13 55.97 1hk6 s LEU 92 Cb -0.16 -3.56 -0.04 0.00 0.01 0.00 0.00 46.19 42.44 1hk6 s LEU 92 CO 0.11 -0.33 0.11 -0.76 1.01 0.00 0.00 176.35 176.49 1hk6 s LEU 93 N 1.38 4.15 0.35 1.79 1.43 -1.21 -4.96 118.68 121.62 1hk6 s LEU 93 Ca 0.50 0.31 -0.28 0.00 -1.03 0.00 0.00 54.13 53.63 1hk6 s LEU 93 Cb -0.20 -2.03 -0.10 0.00 0.03 0.00 0.00 46.19 43.90 1hk6 s LEU 93 CO 0.24 0.31 1.27 -0.54 0.23 0.00 0.00 176.35 177.87 1hk6 s LYS 94 N -0.45 4.27 0.24 1.70 1.02 -1.26 -3.98 119.74 121.27 1hk6 s LYS 94 Ca 0.11 2.13 -0.31 0.00 0.02 0.00 0.00 55.97 57.92 1hk6 s LYS 94 Cb -0.12 -2.98 -0.13 0.00 -0.52 0.00 0.00 37.83 34.08 1hk6 s LYS 94 CO 0.02 -0.23 1.40 -2.30 -0.92 0.00 0.00 175.35 173.32 1hk6 n PRO 95 N 0.62 2.02 -1.99 -1.68 -0.02 -1.26 -4.82 135.00 127.86 1hk6 n PRO 95 Ca 0.01 0.72 -0.27 0.00 -2.02 0.00 0.00 63.50 61.94 1hk6 n PRO 95 Cb 0.43 -2.37 -0.07 0.00 -0.02 0.00 0.00 33.50 31.47 1hk6 n PRO 95 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1hk6 n GLU 96 N 2.02 1.43 0.00 -0.52 -0.58 -1.26 -5.19 120.64 116.55 1hk6 n GLU 96 Ca 0.12 -2.37 0.00 0.00 -0.42 0.00 0.00 57.16 54.48 1hk6 n GLU 96 Cb 0.31 -3.74 0.00 0.00 -0.57 0.00 0.00 31.44 27.45 1hk6 n GLU 96 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01