#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hk6 h MET 4 N 0.00 0.47 -6.57 -0.41 2.86 -2.08 -3.43 114.93 105.77 1hk6 h MET 4 Ca 0.00 -0.11 -0.53 0.00 -2.06 0.00 0.00 59.70 57.00 1hk6 h MET 4 Cb 0.00 -0.06 0.04 0.00 0.06 0.00 0.00 31.60 31.64 1hk6 h MET 4 CO 0.00 0.54 0.97 0.50 1.06 0.00 0.00 176.91 179.98 1hk6 s ARG 5 N -5.33 4.18 0.02 1.72 6.06 -1.26 -4.96 118.95 119.38 1hk6 s ARG 5 Ca -0.13 2.45 -0.30 0.00 -2.50 0.00 0.00 55.73 55.24 1hk6 s ARG 5 Cb 0.08 -3.29 -0.04 0.00 0.06 0.00 0.00 34.95 31.76 1hk6 s ARG 5 CO 0.74 -0.70 1.09 1.14 -2.50 0.00 0.00 175.30 175.07 1hk6 s GLN 6 N 1.69 4.49 0.46 5.12 0.00 -1.26 -5.03 119.66 125.13 1hk6 s GLN 6 Ca 0.74 1.58 -0.22 0.00 -0.00 0.00 0.00 55.36 57.46 1hk6 s GLN 6 Cb -0.45 -3.42 -0.09 0.00 0.00 0.00 0.00 33.01 29.06 1hk6 s GLN 6 CO 0.32 -0.17 1.05 -1.25 0.00 0.00 0.00 175.29 175.24 1hk6 s PRO 7 N 1.15 3.90 0.45 9.60 0.04 -1.26 -5.00 135.00 143.88 1hk6 s PRO 7 Ca 0.55 1.43 -0.25 0.00 0.04 0.00 0.00 61.00 62.77 1hk6 s PRO 7 Cb -0.25 -2.25 -0.08 0.00 0.04 0.00 0.00 34.50 31.96 1hk6 s PRO 7 CO 0.28 -0.35 1.41 -0.35 0.04 0.00 0.00 177.00 178.03 1hk6 n PRO 8 N -0.67 2.20 -3.67 0.56 -0.04 -1.26 -4.89 135.00 127.23 1hk6 n PRO 8 Ca 0.08 0.78 -0.20 0.00 -0.04 0.00 0.00 63.50 64.13 1hk6 n PRO 8 Cb 0.51 -2.60 -0.18 0.00 -0.04 0.00 0.00 33.50 31.19 1hk6 n PRO 8 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1hk6 s LEU 9 N -2.60 0.12 0.22 1.53 1.98 -0.72 -2.05 118.68 117.16 1hk6 s LEU 9 Ca 0.62 0.10 -0.24 0.00 -2.89 0.00 0.00 54.13 51.72 1hk6 s LEU 9 Cb -0.45 -0.10 -0.09 0.00 0.66 0.00 0.00 46.19 46.22 1hk6 s LEU 9 CO 0.57 -0.25 0.80 -0.69 -1.89 0.00 0.00 176.35 174.89 1hk6 s VAL 10 N 2.18 4.39 -0.34 1.68 1.01 -1.11 -0.95 120.40 127.25 1hk6 s VAL 10 Ca 0.05 1.60 0.06 0.00 0.00 0.00 0.00 61.98 63.68 1hk6 s VAL 10 Cb -0.12 -4.02 0.24 0.00 0.00 0.00 0.00 36.38 32.47 1hk6 s VAL 10 CO -0.03 0.33 1.21 1.07 0.00 0.00 0.00 175.10 177.67 1hk6 n THR 11 N 1.05 0.00 -3.65 3.92 5.66 -0.75 -2.89 114.28 117.62 1hk6 n THR 11 Ca -0.03 -1.05 -0.03 0.00 -3.05 0.00 0.00 64.05 59.89 1hk6 n THR 11 Cb 0.50 0.80 -0.07 0.00 -1.55 0.00 0.00 70.33 70.01 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 -0.72 0.33 -0.28 1.09 0.00 0.64 -4.76 107.32 103.61 1hk6 s GLY 12 Ca 0.12 3.46 -0.17 0.00 0.00 0.00 0.00 44.72 48.14 1hk6 s GLY 12 CO -0.06 2.05 0.86 -1.50 0.00 0.00 0.00 173.10 174.45 1hk6 s ILE 13 N 0.21 0.00 0.02 0.90 2.07 -1.26 -1.78 121.20 121.36 1hk6 s ILE 13 Ca 0.05 0.00 -0.27 0.00 -1.41 0.00 0.00 60.65 59.01 1hk6 s ILE 13 Cb -0.05 -1.00 -0.15 0.00 0.13 0.00 0.00 42.46 41.39 1hk6 s ILE 13 CO -0.14 0.00 1.16 -1.28 -1.91 0.00 0.00 174.94 172.77 1hk6 h SER 14 N 6.32 -0.79 -3.59 4.50 0.87 -1.98 -3.41 113.55 115.48 1hk6 h SER 14 Ca -0.29 0.01 -0.64 0.00 -1.23 0.00 0.00 61.79 59.64 1hk6 h SER 14 Cb 1.21 0.20 -0.14 0.00 -0.44 0.00 0.00 62.40 63.23 1hk6 h SER 14 CO 0.17 -0.42 0.19 -2.16 -0.53 0.00 0.00 176.83 174.08 1hk6 s PRO 15 N -4.80 3.46 -0.18 2.24 0.04 -1.26 -4.92 135.00 129.58 1hk6 s PRO 15 Ca -0.15 -0.15 0.03 0.00 0.04 0.00 0.00 61.00 60.78 1hk6 s PRO 15 Cb 0.02 -3.90 0.34 0.00 0.04 0.00 0.00 34.50 31.00 1hk6 s PRO 15 CO 0.45 -0.94 1.32 0.09 0.04 0.00 0.00 177.00 177.96 1hk6 n ASN 16 N 6.30 3.31 0.00 6.66 3.02 -1.26 -4.78 115.26 128.51 1hk6 n ASN 16 Ca -0.00 -2.65 0.00 0.00 -0.03 0.00 0.00 54.58 51.89 1hk6 n ASN 16 Cb 0.48 -0.64 0.00 0.00 -0.61 0.00 0.00 39.78 39.02 1hk6 n ASN 16 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1hk6 n GLU 17 N -0.09 0.00 0.00 3.52 0.28 -1.26 -4.41 120.64 118.68 1hk6 n GLU 17 Ca 0.23 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.23 1hk6 n GLU 17 Cb 0.94 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.81 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 1.97 3.55 -1.84 0.00 -1.23 -5.03 105.19 102.56 1hk6 n GLY 18 Ca 0.00 -0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.31 0.00 -0.28 -0.61 -5.35 -1.26 -3.30 119.36 108.25 1hk6 n ILE 19 Ca 0.00 -0.11 0.10 0.00 -0.27 0.00 0.00 62.75 62.47 1hk6 n ILE 19 Cb 0.00 -0.83 0.24 0.00 -1.74 0.00 0.00 39.64 37.30 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 0.23 0.00 6.28 0.11 -1.83 0.24 132.00 135.21 1hk6 h PRO 20 Ca -0.44 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 1hk6 h PRO 20 Cb 1.28 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1hk6 h PRO 20 CO 0.39 0.15 -0.09 -1.49 -0.21 0.00 0.00 178.00 176.75 1hk6 h TRP 21 N 0.24 0.00 -2.70 0.65 4.06 -1.88 -3.25 115.95 113.06 1hk6 h TRP 21 Ca 0.49 0.00 -0.53 0.00 2.06 0.00 0.00 58.89 60.91 1hk6 h TRP 21 Cb 0.92 0.00 0.04 0.00 -1.00 0.00 0.00 29.16 29.12 1hk6 h TRP 21 CO -0.27 0.09 0.98 0.99 -3.56 0.00 0.00 178.44 176.66 1hk6 s THR 22 N -3.91 2.52 0.24 1.49 2.01 0.83 -4.82 115.64 114.01 1hk6 s THR 22 Ca -0.01 0.27 -0.30 0.00 0.31 0.00 0.00 61.69 61.96 1hk6 s THR 22 Cb 0.11 -3.17 -0.09 0.00 0.01 0.00 0.00 72.50 69.36 1hk6 s THR 22 CO 0.56 0.01 1.13 -0.75 -0.69 0.00 0.00 174.62 174.88 1hk6 s LYS 23 N 1.72 4.59 -0.07 4.92 2.20 -1.26 -3.02 119.74 128.81 1hk6 s LYS 23 Ca 0.74 1.82 0.00 0.00 -0.36 0.00 0.00 55.97 58.18 1hk6 s LYS 23 Cb -0.45 -3.21 0.02 0.00 -1.51 0.00 0.00 37.83 32.68 1hk6 s LYS 23 CO 0.33 0.10 -0.06 0.14 -0.36 0.00 0.00 175.35 175.50 1hk6 s VAL 24 N -0.76 0.75 -0.27 4.02 -7.23 -0.84 -4.88 120.40 111.20 1hk6 s VAL 24 Ca 0.47 -0.19 -0.24 0.00 -1.81 0.00 0.00 61.98 60.22 1hk6 s VAL 24 Cb -0.32 -0.78 -0.00 0.00 0.56 0.00 0.00 36.38 35.84 1hk6 s VAL 24 CO 0.40 0.29 0.82 -0.89 -0.31 0.00 0.00 175.10 175.41 1hk6 s THR 25 N 1.28 4.81 0.11 5.32 2.01 -1.26 -3.47 115.64 124.44 1hk6 s THR 25 Ca -0.04 1.41 -0.26 0.00 0.31 0.00 0.00 61.69 63.11 1hk6 s THR 25 Cb -0.14 -4.13 -0.07 0.00 0.01 0.00 0.00 72.50 68.17 1hk6 s THR 25 CO -0.02 -0.15 0.79 -0.63 -0.69 0.00 0.00 174.62 173.92 1hk6 s ILE 26 N 2.91 4.53 -0.11 1.82 1.01 -0.87 -3.98 121.20 126.50 1hk6 s ILE 26 Ca 0.34 1.71 -0.08 0.00 0.00 0.00 0.00 60.65 62.62 1hk6 s ILE 26 Cb -0.15 -4.15 0.04 0.00 0.01 0.00 0.00 42.46 38.21 1hk6 s ILE 26 CO 0.10 0.44 0.28 -0.60 0.00 0.00 0.00 174.94 175.15 1hk6 s ARG 27 N -0.57 0.29 0.00 2.79 3.52 -0.73 -1.89 118.95 122.35 1hk6 s ARG 27 Ca 0.38 0.47 0.00 0.00 -0.13 0.00 0.00 55.73 56.45 1hk6 s ARG 27 Cb -0.22 0.05 0.00 0.00 -1.56 0.00 0.00 34.95 33.22 1hk6 s ARG 27 CO 0.25 -0.09 0.00 0.41 -0.81 0.00 0.00 175.30 175.06 1hk6 n GLY 28 N 3.49 1.71 3.03 8.12 0.00 -1.22 -0.26 105.19 120.05 1hk6 n GLY 28 Ca -0.18 0.24 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 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 3.66 0.19 -1.26 1.61 2.02 -0.13 -4.82 118.70 119.96 1hk6 s GLU 29 Ca 0.00 0.36 -0.07 0.00 0.02 0.00 0.00 54.97 55.29 1hk6 s GLU 29 Cb 0.00 -0.03 0.01 0.00 0.10 0.00 0.00 34.13 34.21 1hk6 s GLU 29 CO 0.00 -0.10 1.09 0.09 0.02 0.00 0.00 175.26 176.36 1hk6 n ASN 30 N 3.62 -5.28 -2.77 -0.19 3.02 -1.22 -1.76 115.26 110.69 1hk6 n ASN 30 Ca -0.19 -0.53 -0.28 0.00 -0.03 0.00 0.00 54.58 53.54 1hk6 n ASN 30 Cb 0.55 -4.84 -0.08 0.00 -0.61 0.00 0.00 39.78 34.81 1hk6 n ASN 30 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1hk6 n LEU 31 N -4.62 7.08 0.00 3.41 4.32 -1.02 -4.07 117.00 122.10 1hk6 n LEU 31 Ca -0.05 -4.03 0.00 0.00 -0.02 0.00 0.00 56.01 51.91 1hk6 n LEU 31 Cb 0.58 -1.42 0.00 0.00 -1.62 0.00 0.00 43.42 40.96 1hk6 n LEU 31 CO 0.61 1.89 0.00 0.61 -1.22 0.00 0.00 177.39 179.28 1hk6 n GLY 32 N 2.38 -2.62 0.28 -0.72 0.00 -1.26 -4.55 105.19 98.69 1hk6 n GLY 32 Ca 0.59 -1.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.40 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 1.27 -3.06 2.61 1.35 -1.92 -3.35 112.91 109.82 1hk6 h THR 33 Ca 0.00 -1.26 -0.09 0.00 -0.55 0.00 0.00 66.41 64.51 1hk6 h THR 33 Cb 0.00 1.06 -0.01 0.00 -1.73 0.00 0.00 68.15 67.47 1hk6 h THR 33 CO 0.00 0.44 0.12 0.61 -0.25 0.00 0.00 175.52 176.44 1hk6 n GLY 34 N -0.22 1.52 0.37 5.82 0.00 -1.26 -4.58 105.19 106.83 1hk6 n GLY 34 Ca 0.01 -1.32 0.01 0.00 0.00 0.00 0.00 46.02 44.72 1hk6 n GLY 34 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hk6 h PRO 35 N 0.00 1.15 -0.87 1.61 0.13 -1.92 -1.78 132.00 130.32 1hk6 h PRO 35 Ca -0.26 -0.07 0.01 0.00 -0.87 0.00 0.00 66.00 64.81 1hk6 h PRO 35 Cb 0.99 -0.26 -0.04 0.00 0.13 0.00 0.00 31.00 31.81 1hk6 h PRO 35 CO 0.33 0.76 0.58 1.79 -0.23 0.00 0.00 178.00 181.23 1hk6 h THR 36 N 1.19 1.22 -0.18 1.56 1.35 -2.01 -2.81 112.91 113.23 1hk6 h THR 36 Ca 0.41 -0.41 -0.03 0.00 -0.55 0.00 0.00 66.41 65.83 1hk6 h THR 36 Cb 0.10 -0.06 -0.01 0.00 -1.73 0.00 0.00 68.15 66.45 1hk6 h THR 36 CO -0.15 0.22 -0.02 -0.78 -0.25 0.00 0.00 175.52 174.53 1hk6 h ASP 37 N 1.18 0.33 -3.00 5.36 3.58 -1.79 -3.43 116.42 118.66 1hk6 h ASP 37 Ca 0.32 -0.34 -0.53 0.00 0.42 0.00 0.00 57.03 56.90 1hk6 h ASP 37 Cb -0.13 -0.09 0.02 0.00 1.72 0.00 0.00 39.33 40.84 1hk6 h ASP 37 CO -0.07 0.59 0.73 -0.22 -2.88 0.00 0.00 179.24 177.39 1hk6 s LEU 38 N -9.44 4.36 0.00 2.28 1.98 -0.74 -1.66 118.68 115.47 1hk6 s LEU 38 Ca -0.14 2.26 0.00 0.00 -2.89 0.00 0.00 54.13 53.36 1hk6 s LEU 38 Cb 0.06 -3.58 0.00 0.00 0.66 0.00 0.00 46.19 43.33 1hk6 s LEU 38 CO 0.73 -0.65 0.00 2.30 -1.89 0.00 0.00 176.35 176.84 1hk6 n ILE 39 N 4.10 0.00 -4.82 6.68 -5.35 -1.25 -4.87 119.36 113.84 1hk6 n ILE 39 Ca 0.12 0.00 -0.29 0.00 -0.27 0.00 0.00 62.75 62.31 1hk6 n ILE 39 Cb 0.43 0.00 -0.17 0.00 -1.74 0.00 0.00 39.64 38.16 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 -0.32 1.10 -0.05 3.28 0.00 -1.13 -5.00 107.32 105.19 1hk6 s GLY 40 Ca 0.00 -0.75 -0.15 0.00 0.00 0.00 0.00 44.72 43.82 1hk6 s GLY 40 CO 0.00 -0.05 0.35 -2.27 0.00 0.00 0.00 173.10 171.13 1hk6 s LEU 41 N 0.61 0.68 -0.28 0.66 2.96 -1.26 -0.39 118.68 121.66 1hk6 s LEU 41 Ca -0.14 0.31 -0.16 0.00 -0.22 0.00 0.00 54.13 53.92 1hk6 s LEU 41 Cb -0.16 1.35 0.09 0.00 0.50 0.00 0.00 46.19 47.97 1hk6 s LEU 41 CO 0.04 -0.37 0.74 -0.89 -1.32 0.00 0.00 176.35 174.56 1hk6 s THR 42 N -0.89 -0.07 -0.17 3.68 2.01 -0.78 -3.45 115.64 115.98 1hk6 s THR 42 Ca -0.10 0.00 -0.06 0.00 0.31 0.00 0.00 61.69 61.84 1hk6 s THR 42 Cb -0.04 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.43 1hk6 s THR 42 CO 0.04 0.00 0.03 -0.63 -0.69 0.00 0.00 174.62 173.37 1hk6 s ILE 43 N 1.67 4.52 0.00 1.82 1.01 -1.19 -2.01 121.20 127.02 1hk6 s ILE 43 Ca -0.10 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.42 1hk6 s ILE 43 Cb -0.05 -3.01 0.00 0.00 0.01 0.00 0.00 42.46 39.40 1hk6 s ILE 43 CO -0.19 0.48 0.00 0.00 0.00 0.00 0.00 174.94 175.23 1hk6 n GLY 45 N 0.00 0.00 3.00 0.00 0.00 -1.26 -4.21 105.19 102.72 1hk6 n GLY 45 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 0.96 0.32 1.61 5.65 -1.01 -4.69 115.29 118.13 1hk6 s HIS 46 Ca 0.00 -0.24 -0.29 0.00 0.25 0.00 0.00 55.06 54.78 1hk6 s HIS 46 Cb 0.00 -0.68 -0.12 0.00 -1.18 0.00 0.00 32.58 30.60 1hk6 s HIS 46 CO 0.00 -0.10 1.54 -1.71 -0.65 0.00 0.00 174.74 173.82 1hk6 n ASN 47 N 3.30 3.75 -2.17 9.88 5.15 -1.26 -3.16 115.26 130.74 1hk6 n ASN 47 Ca -0.18 1.17 -0.02 0.00 -0.60 0.00 0.00 54.58 54.96 1hk6 n ASN 47 Cb 0.54 -1.59 0.05 0.00 -0.53 0.00 0.00 39.78 38.25 1hk6 n ASN 47 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1hk6 h LEU 49 N 1.22 0.53 -0.95 0.00 5.85 -1.92 -0.59 115.31 119.46 1hk6 h LEU 49 Ca -0.36 -0.50 0.13 0.00 0.84 0.00 0.00 57.88 57.99 1hk6 h LEU 49 Cb 1.41 -0.15 -0.09 0.00 0.37 0.00 0.00 40.66 42.20 1hk6 h LEU 49 CO -0.07 0.93 0.58 0.17 -0.34 0.00 0.00 178.44 179.71 1hk6 h LEU 50 N 0.15 0.82 0.07 2.25 -0.00 -1.95 -1.46 115.31 115.19 1hk6 h LEU 50 Ca 0.02 0.06 -0.25 0.00 -0.00 0.00 0.00 57.88 57.71 1hk6 h LEU 50 Cb 0.80 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 41.34 1hk6 h LEU 50 CO 0.06 0.42 -1.16 0.71 -0.00 0.00 0.00 178.44 178.47 1hk6 h THR 51 N 0.89 1.57 -2.89 0.15 1.35 -1.95 -3.46 112.91 108.58 1hk6 h THR 51 Ca 0.48 -3.21 -0.55 0.00 -0.55 0.00 0.00 66.41 62.58 1hk6 h THR 51 Cb 0.52 2.89 0.08 0.00 -1.73 0.00 0.00 68.15 69.91 1hk6 h THR 51 CO -0.28 0.92 0.85 0.00 -0.25 0.00 0.00 175.52 176.75 1hk6 n ALA 52 N -2.46 2.17 -3.57 6.62 0.00 -0.23 -4.69 120.51 118.35 1hk6 n ALA 52 Ca -0.05 0.40 -0.27 0.00 0.00 0.00 0.00 53.44 53.52 1hk6 n ALA 52 Cb 0.99 -2.42 -0.17 0.00 0.00 0.00 0.00 19.45 17.85 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 0.06 1.93 0.55 0.00 2.12 0.03 -4.94 118.70 118.45 1hk6 s GLU 53 Ca 0.69 -0.47 -0.20 0.00 0.36 0.00 0.00 54.97 55.35 1hk6 s GLU 53 Cb -0.55 -1.65 -0.05 0.00 0.26 0.00 0.00 34.13 32.14 1hk6 s GLU 53 CO 0.44 -0.03 1.18 -0.46 -0.54 0.00 0.00 175.26 175.85 1hk6 s TRP 54 N 0.89 2.57 0.00 5.30 -0.00 -1.26 -2.32 118.94 124.13 1hk6 s TRP 54 Ca -0.10 1.52 0.00 0.00 -0.00 0.00 0.00 56.10 57.52 1hk6 s TRP 54 Cb -0.15 -3.42 0.00 0.00 -0.00 0.00 0.00 33.47 29.90 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 -1.24 0.00 -3.79 5.86 2.81 -1.22 -4.85 117.12 114.69 1hk6 n MET 55 Ca 0.12 0.00 -0.04 0.00 -1.81 0.00 0.00 57.70 55.97 1hk6 n MET 55 Cb 0.49 -0.29 -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 -3.25 -0.11 0.00 7.83 0.15 -0.82 -4.98 113.70 112.52 1hk6 s SER 56 Ca 0.00 -0.51 0.00 0.00 0.70 0.00 0.00 55.95 56.14 1hk6 s SER 56 Cb 0.00 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.82 1hk6 s SER 56 CO 0.00 -0.96 0.74 0.00 1.20 0.00 0.00 173.24 174.22 1hk6 n ALA 57 N -0.54 2.41 -1.64 5.45 0.00 -1.26 -2.95 120.51 121.99 1hk6 n ALA 57 Ca -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.38 1hk6 n ALA 57 Cb 0.60 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.05 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 0.33 -0.08 -3.64 0.00 7.64 -1.26 -2.42 113.62 114.18 1hk6 n SER 58 Ca 0.00 -0.69 -0.08 0.00 1.01 0.00 0.00 58.87 59.11 1hk6 n SER 58 Cb 0.37 0.02 -0.07 0.00 -1.01 0.00 0.00 64.21 63.52 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 0.00 0.58 -0.13 1.43 2.20 -1.15 -3.42 119.74 119.25 1hk6 s LYS 59 Ca 0.00 0.83 -0.05 0.00 -0.36 0.00 0.00 55.97 56.39 1hk6 s LYS 59 Cb 0.00 0.20 0.06 0.00 -1.51 0.00 0.00 37.83 36.58 1hk6 s LYS 59 CO 0.00 -0.09 0.26 0.42 -0.36 0.00 0.00 175.35 175.58 1hk6 s ILE 60 N 0.90 -0.35 -0.10 5.43 1.01 -0.79 -1.94 121.20 125.35 1hk6 s ILE 60 Ca -0.04 0.26 -0.29 0.00 0.00 0.00 0.00 60.65 60.58 1hk6 s ILE 60 Cb -0.05 -0.43 -0.01 0.00 0.01 0.00 0.00 42.46 41.98 1hk6 s ILE 60 CO -0.11 0.11 0.97 -0.69 0.00 0.00 0.00 174.94 175.22 1hk6 s VAL 61 N 2.23 4.81 -0.28 2.92 1.01 -0.98 -2.05 120.40 128.07 1hk6 s VAL 61 Ca -0.01 1.96 -0.25 0.00 0.00 0.00 0.00 61.98 63.69 1hk6 s VAL 61 Cb -0.12 -4.28 0.14 0.00 0.00 0.00 0.00 36.38 32.12 1hk6 s VAL 61 CO -0.09 0.03 1.12 0.00 0.00 0.00 0.00 175.10 176.17 1hk6 s ARG 63 N 0.11 4.53 0.29 0.00 0.52 -1.26 -1.98 118.95 121.15 1hk6 s ARG 63 Ca 0.04 1.12 -0.29 0.00 -0.52 0.00 0.00 55.73 56.07 1hk6 s ARG 63 Cb -0.05 -3.32 -0.13 0.00 0.52 0.00 0.00 34.95 31.97 1hk6 s ARG 63 CO -0.08 0.40 1.29 1.55 0.02 0.00 0.00 175.30 178.48 1hk6 n VAL 64 N 2.31 1.55 0.20 3.52 3.14 -1.17 -4.88 118.33 123.00 1hk6 n VAL 64 Ca -0.04 -0.39 -0.09 0.00 -2.96 0.00 0.00 64.34 60.87 1hk6 n VAL 64 Cb 0.50 -1.43 -0.04 0.00 -1.06 0.00 0.00 33.84 31.81 1hk6 n VAL 64 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 1hk6 h GLY 65 N 3.16 -0.59 0.00 7.55 0.00 -1.78 -3.40 103.07 108.01 1hk6 h GLY 65 Ca -0.45 0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1hk6 h GLY 65 CO 0.68 -0.21 0.00 0.61 0.00 0.00 0.00 176.54 177.61 1hk6 n GLN 66 N -4.59 0.00 -2.69 4.80 10.64 -1.26 -4.79 117.38 119.48 1hk6 n GLN 66 Ca -0.07 0.00 -0.08 0.00 -1.83 0.00 0.00 57.00 55.02 1hk6 n GLN 66 Cb 0.22 0.00 0.03 0.00 -0.86 0.00 0.00 30.24 29.63 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 -3.00 3.29 -0.21 2.61 0.00 -1.26 -4.77 120.51 117.17 1hk6 n ALA 67 Ca 0.00 -3.08 0.01 0.00 0.00 0.00 0.00 53.44 50.38 1hk6 n ALA 67 Cb 0.00 -0.92 0.12 0.00 0.00 0.00 0.00 19.45 18.65 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 2.91 0.29 -6.68 0.00 1.63 -1.90 -3.41 116.57 109.42 1hk6 h LYS 68 Ca -0.10 -0.02 -0.50 0.00 -0.85 0.00 0.00 60.65 59.18 1hk6 h LYS 68 Cb 1.19 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.74 1hk6 h LYS 68 CO 0.44 0.19 0.04 -0.80 -3.45 0.00 0.00 179.45 175.88 1hk6 s ASN 69 N -5.31 6.65 0.20 4.20 0.02 -1.26 -4.99 114.94 114.46 1hk6 s ASN 69 Ca -0.13 1.13 -0.10 0.00 -1.02 0.00 0.00 52.86 52.74 1hk6 s ASN 69 Cb 0.18 -2.31 0.22 0.00 0.02 0.00 0.00 41.25 39.36 1hk6 s ASN 69 CO 0.74 -0.23 1.79 -2.24 0.02 0.00 0.00 177.10 177.18 1hk6 h ASP 70 N 2.02 0.44 0.00 -1.22 3.04 -1.94 -3.42 116.42 115.34 1hk6 h ASP 70 Ca -0.47 0.04 0.00 0.00 -3.24 0.00 0.00 57.03 53.36 1hk6 h ASP 70 Cb 1.18 -0.04 0.00 0.00 -1.04 0.00 0.00 39.33 39.43 1hk6 h ASP 70 CO 0.66 0.28 0.00 0.29 -2.04 0.00 0.00 179.24 178.43 1hk6 n LYS 71 N -4.86 0.00 -1.60 4.15 5.02 -1.26 -5.02 118.16 114.59 1hk6 n LYS 71 Ca 0.07 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1hk6 n LYS 71 Cb 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.20 1hk6 n LYS 71 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1hk6 n GLY 72 N 5.00 -0.93 3.72 0.72 0.00 -1.26 -4.78 105.19 107.66 1hk6 n GLY 72 Ca 0.00 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.03 6.51 -0.02 1.61 1.01 -1.26 -1.28 116.67 123.20 1hk6 s ASP 73 Ca 0.00 2.73 -0.25 0.00 0.71 0.00 0.00 52.55 55.75 1hk6 s ASP 73 Cb 0.01 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 1hk6 s ASP 73 CO -0.00 -0.87 0.75 -0.63 0.21 0.00 0.00 175.17 174.63 1hk6 s ILE 74 N 0.95 4.92 -0.01 0.77 1.01 -1.24 -2.98 121.20 124.62 1hk6 s ILE 74 Ca 0.70 1.57 0.04 0.00 0.00 0.00 0.00 60.65 62.96 1hk6 s ILE 74 Cb -0.46 -4.09 -0.01 0.00 0.01 0.00 0.00 42.46 37.91 1hk6 s ILE 74 CO 0.34 0.28 -0.14 -0.63 0.00 0.00 0.00 174.94 174.79 1hk6 s ILE 75 N 0.53 1.14 -0.05 2.92 -1.09 -0.85 -4.21 121.20 119.59 1hk6 s ILE 75 Ca 0.39 -0.61 -0.02 0.00 -2.23 0.00 0.00 60.65 58.18 1hk6 s ILE 75 Cb -0.19 -0.95 0.03 0.00 -1.58 0.00 0.00 42.46 39.77 1hk6 s ILE 75 CO 0.21 0.32 0.08 0.54 -1.23 0.00 0.00 174.94 174.86 1hk6 s VAL 76 N -0.29 -0.13 -0.14 2.92 0.11 -1.26 -1.86 120.40 119.74 1hk6 s VAL 76 Ca 0.05 0.38 -0.11 0.00 -2.93 0.00 0.00 61.98 59.37 1hk6 s VAL 76 Cb -0.06 -0.17 -0.05 0.00 -1.53 0.00 0.00 36.38 34.57 1hk6 s VAL 76 CO -0.00 0.16 0.21 -0.89 -3.33 0.00 0.00 175.10 171.25 1hk6 s THR 77 N 2.02 5.36 0.01 5.04 2.01 0.48 -2.97 115.64 127.59 1hk6 s THR 77 Ca 0.02 0.38 0.08 0.00 0.31 0.00 0.00 61.69 62.48 1hk6 s THR 77 Cb -0.12 -3.53 -0.03 0.00 0.01 0.00 0.00 72.50 68.84 1hk6 s THR 77 CO -0.04 0.49 -0.23 0.42 -0.69 0.00 0.00 174.62 174.57 1hk6 s THR 78 N -0.15 2.35 0.22 -0.82 -4.23 -1.26 -2.85 115.64 108.89 1hk6 s THR 78 Ca 0.14 -1.16 -0.08 0.00 -1.18 0.00 0.00 61.69 59.42 1hk6 s THR 78 Cb -0.12 -1.89 0.16 0.00 1.34 0.00 0.00 72.50 71.99 1hk6 s THR 78 CO 0.03 0.47 1.76 0.11 -0.54 0.00 0.00 174.62 176.45 1hk6 h LYS 79 N 5.09 0.48 -0.17 3.99 1.57 -1.65 -1.87 116.57 124.01 1hk6 h LYS 79 Ca -0.45 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.27 1hk6 h LYS 79 Cb 1.14 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 1hk6 h LYS 79 CO 0.46 0.32 -0.02 0.77 -0.57 0.00 0.00 179.45 180.41 1hk6 h SER 80 N 0.49 0.30 0.00 0.86 0.02 -1.96 -3.44 113.55 109.82 1hk6 h SER 80 Ca 0.33 -0.34 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1hk6 h SER 80 Cb 0.39 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1hk6 h SER 80 CO -0.30 0.57 0.00 0.61 -1.14 0.00 0.00 176.83 176.57 1hk6 n GLY 81 N -0.21 0.88 0.00 -3.77 0.00 -0.71 -5.10 105.19 96.27 1hk6 n GLY 81 Ca -0.05 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.87 1.85 -0.02 0.00 -1.18 -4.76 105.19 104.21 1hk6 n GLY 82 Ca 0.00 0.85 -0.00 0.00 0.00 0.00 0.00 46.02 46.87 1hk6 n GLY 82 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1hk6 n LYS 83 N 0.00 -3.15 0.00 1.61 4.81 -1.26 -4.95 118.16 115.22 1hk6 n LYS 83 Ca 0.00 2.49 0.00 0.00 -0.87 0.00 0.00 58.31 59.93 1hk6 n LYS 83 Cb 0.00 -3.11 0.00 0.00 0.02 0.00 0.00 35.03 31.94 1hk6 n LYS 83 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1hk6 n GLY 84 N 1.11 1.03 0.00 3.14 0.00 -1.16 -4.94 105.19 104.37 1hk6 n GLY 84 Ca -0.02 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1hk6 n GLY 84 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1hk6 n THR 85 N 0.00 0.00 -3.54 2.61 -2.24 -0.87 -4.89 114.28 105.35 1hk6 n THR 85 Ca 0.00 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.77 1hk6 n THR 85 Cb 0.00 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.18 1hk6 n THR 85 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1hk6 s SER 86 N -0.60 -0.55 -0.22 3.42 1.04 -1.26 -2.74 113.70 112.79 1hk6 s SER 86 Ca 0.00 0.81 0.03 0.00 0.48 0.00 0.00 55.95 57.27 1hk6 s SER 86 Cb 0.00 1.43 0.37 0.00 0.10 0.00 0.00 66.02 67.92 1hk6 s SER 86 CO 0.00 -0.12 1.43 0.35 0.98 0.00 0.00 173.24 175.88 1hk6 n THR 87 N 4.30 2.05 -3.67 2.02 -2.24 -1.14 -4.83 114.28 110.77 1hk6 n THR 87 Ca -0.14 -0.97 -0.15 0.00 -2.27 0.00 0.00 64.05 60.52 1hk6 n THR 87 Cb 0.55 -0.67 -0.08 0.00 -2.10 0.00 0.00 70.33 68.04 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 -1.77 0.04 -0.02 2.28 -7.23 -1.26 -5.01 120.40 107.42 1hk6 s VAL 88 Ca 0.30 -0.29 0.02 0.00 -1.81 0.00 0.00 61.98 60.19 1hk6 s VAL 88 Cb 0.25 -0.76 0.01 0.00 0.56 0.00 0.00 36.38 36.43 1hk6 s VAL 88 CO 0.06 -0.16 -0.06 -0.44 -0.31 0.00 0.00 175.10 174.20 1hk6 s SER 89 N -1.27 0.86 -0.10 4.85 0.01 -1.26 -3.65 113.70 113.14 1hk6 s SER 89 Ca -0.13 -0.13 -0.24 0.00 1.31 0.00 0.00 55.95 56.77 1hk6 s SER 89 Cb -0.03 -0.27 -0.03 0.00 0.21 0.00 0.00 66.02 65.90 1hk6 s SER 89 CO 0.06 0.02 0.76 0.12 0.41 0.00 0.00 173.24 174.61 1hk6 s PHE 90 N 0.37 3.52 -0.30 2.43 5.36 -0.41 -4.87 117.98 124.08 1hk6 s PHE 90 Ca -0.05 1.27 -0.28 0.00 -0.96 0.00 0.00 56.93 56.91 1hk6 s PHE 90 Cb -0.09 -2.90 0.01 0.00 -0.34 0.00 0.00 43.02 39.71 1hk6 s PHE 90 CO 0.00 -0.04 1.02 0.21 -1.46 0.00 0.00 175.22 174.96 1hk6 s LYS 91 N 1.29 4.08 -0.05 10.12 2.20 -1.26 -4.35 119.74 131.78 1hk6 s LYS 91 Ca 0.38 1.04 -0.29 0.00 -0.36 0.00 0.00 55.97 56.75 1hk6 s LYS 91 Cb -0.18 -3.72 -0.03 0.00 -1.51 0.00 0.00 37.83 32.40 1hk6 s LYS 91 CO 0.17 -0.82 0.94 -1.17 -0.36 0.00 0.00 175.35 174.11 1hk6 s LEU 92 N 3.46 4.32 -0.17 5.43 1.98 -1.26 -3.55 118.68 128.90 1hk6 s LEU 92 Ca 0.43 1.53 -0.09 0.00 -2.89 0.00 0.00 54.13 53.11 1hk6 s LEU 92 Cb -0.13 -3.48 -0.05 0.00 0.66 0.00 0.00 46.19 43.19 1hk6 s LEU 92 CO 0.13 -0.30 0.15 -0.76 -1.89 0.00 0.00 176.35 173.69 1hk6 s LEU 93 N 1.30 4.28 0.21 -0.68 1.43 -1.21 -4.96 118.68 119.04 1hk6 s LEU 93 Ca 0.48 0.34 -0.30 0.00 -1.03 0.00 0.00 54.13 53.62 1hk6 s LEU 93 Cb -0.20 -2.11 -0.09 0.00 0.03 0.00 0.00 46.19 43.82 1hk6 s LEU 93 CO 0.23 0.25 1.37 -0.75 0.23 0.00 0.00 176.35 177.68 1hk6 s LYS 94 N -0.12 4.34 0.15 1.70 2.20 -1.26 -4.14 119.74 122.61 1hk6 s LYS 94 Ca 0.11 2.14 -0.34 0.00 -0.36 0.00 0.00 55.97 57.52 1hk6 s LYS 94 Cb -0.12 -3.17 -0.14 0.00 -1.51 0.00 0.00 37.83 32.89 1hk6 s LYS 94 CO 0.01 -0.33 1.55 -2.30 -0.36 0.00 0.00 175.35 173.91 1hk6 n PRO 95 N 2.68 2.02 -2.65 4.03 -0.02 -1.26 -4.92 135.00 134.89 1hk6 n PRO 95 Ca 0.07 0.73 -0.43 0.00 -2.02 0.00 0.00 63.50 61.85 1hk6 n PRO 95 Cb 0.42 -2.48 -0.02 0.00 -0.02 0.00 0.00 33.50 31.39 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 0.87 4.22 0.00 -0.52 2.12 -1.26 -5.20 118.70 118.93 1hk6 s GLU 96 Ca 0.80 1.31 0.00 0.00 0.36 0.00 0.00 54.97 57.44 1hk6 s GLU 96 Cb -0.71 -3.66 0.00 0.00 0.26 0.00 0.00 34.13 30.01 1hk6 s GLU 96 CO 0.39 -0.69 0.00 1.17 -0.54 0.00 0.00 175.26 175.59