#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hkz s GLU 2 N 0.00 2.37 0.71 3.17 0.41 -1.09 -4.99 118.70 119.28 3hkz s GLU 2 Ca 0.00 -2.73 -0.16 0.00 -0.41 0.00 0.00 54.97 51.67 3hkz s GLU 2 Cb 0.00 -3.55 -0.02 0.00 -1.78 0.00 0.00 34.13 28.79 3hkz s GLU 2 CO 0.00 -1.17 0.78 -0.89 -0.49 0.00 0.00 175.26 173.49 3hkz n ILE 3 N 3.05 2.43 -3.33 -1.63 2.08 -1.26 -3.54 119.36 117.16 3hkz n ILE 3 Ca 0.09 -0.39 0.02 0.00 0.56 0.00 0.00 62.75 63.03 3hkz n ILE 3 Cb 0.35 -0.94 -0.04 0.00 -0.75 0.00 0.00 39.64 38.26 3hkz n ILE 3 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 3hkz s ARG 4 N -3.02 0.20 0.04 0.38 3.52 -1.21 -4.99 118.95 113.86 3hkz s ARG 4 Ca 0.70 0.49 -0.30 0.00 -0.13 0.00 0.00 55.73 56.49 3hkz s ARG 4 Cb -0.35 0.29 -0.08 0.00 -1.56 0.00 0.00 34.95 33.24 3hkz s ARG 4 CO 0.53 -0.07 1.77 0.96 -0.81 0.00 0.00 175.30 177.69 3hkz s ILE 5 N 2.27 3.09 0.00 4.11 -5.25 -1.26 -3.07 121.20 121.09 3hkz s ILE 5 Ca -0.02 0.34 0.00 0.00 -0.99 0.00 0.00 60.65 59.98 3hkz s ILE 5 Cb -0.04 -3.22 0.00 0.00 2.95 0.00 0.00 42.46 42.15 3hkz s ILE 5 CO -0.17 -0.02 0.00 0.18 -1.79 0.00 0.00 174.94 173.14 3hkz n LEU 6 N 6.55 0.86 -3.97 0.37 4.77 -0.30 -4.95 117.00 120.32 3hkz n LEU 6 Ca 0.18 0.12 -0.28 0.00 -0.03 0.00 0.00 56.01 56.00 3hkz n LEU 6 Cb 0.41 -0.23 -0.17 0.00 -2.33 0.00 0.00 43.42 41.10 3hkz n LEU 6 CO 0.65 -0.23 -0.46 -0.75 -1.33 0.00 0.00 177.39 175.26 3hkz s LYS 7 N -0.46 1.89 -0.07 3.23 2.20 -1.23 -5.03 119.74 120.28 3hkz s LYS 7 Ca 0.00 -0.41 0.06 0.00 -0.36 0.00 0.00 55.97 55.26 3hkz s LYS 7 Cb 0.00 -1.78 -0.01 0.00 -1.51 0.00 0.00 37.83 34.54 3hkz s LYS 7 CO 0.00 -0.20 -0.24 0.45 -0.36 0.00 0.00 175.35 175.00 3hkz s SER 8 N 1.44 3.02 -0.45 1.43 0.15 -1.26 -1.70 113.70 116.33 3hkz s SER 8 Ca 0.01 -0.51 0.05 0.00 0.70 0.00 0.00 55.95 56.21 3hkz s SER 8 Cb -0.13 -0.96 0.19 0.00 -1.71 0.00 0.00 66.02 63.41 3hkz s SER 8 CO -0.07 0.22 0.52 1.21 1.20 0.00 0.00 173.24 176.32 3hkz n GLU 9 N 3.09 0.39 0.00 5.44 4.07 -1.18 -5.03 120.64 127.42 3hkz n GLU 9 Ca -0.18 -2.73 0.00 0.00 -0.06 0.00 0.00 57.16 54.19 3hkz n GLU 9 Cb 0.52 -1.54 0.00 0.00 -0.06 0.00 0.00 31.44 30.36 3hkz n GLU 9 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 3hkz n SER 10 N 2.63 0.00 -2.96 4.31 2.88 -1.26 -3.83 113.62 115.40 3hkz n SER 10 Ca 0.24 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.55 3hkz n SER 10 Cb 0.52 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.95 3hkz n SER 10 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3hkz n ASN 11 N 0.12 3.27 0.00 -3.46 4.13 -1.26 -4.88 115.26 113.18 3hkz n ASN 11 Ca 0.00 -3.44 0.00 0.00 1.68 0.00 0.00 54.58 52.82 3hkz n ASN 11 Cb 0.00 -0.57 0.00 0.00 -1.54 0.00 0.00 39.78 37.67 3hkz n ASN 11 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3hkz n TYR 12 N -0.10 0.00 -3.72 3.10 9.36 -1.25 -3.77 117.16 120.78 3hkz n TYR 12 Ca 0.29 0.00 -0.27 0.00 3.32 0.00 0.00 57.90 61.24 3hkz n TYR 12 Cb 0.52 0.00 -0.17 0.00 -0.63 0.00 0.00 39.34 39.06 3hkz n TYR 12 CO 0.00 0.00 0.00 -1.17 0.22 0.00 0.00 176.86 175.91 3hkz s LEU 13 N 0.00 1.00 -0.77 2.98 2.96 -0.38 -3.13 118.68 121.34 3hkz s LEU 13 Ca 0.00 -0.73 -0.21 0.00 -0.22 0.00 0.00 54.13 52.97 3hkz s LEU 13 Cb 0.00 -0.53 0.09 0.00 0.50 0.00 0.00 46.19 46.26 3hkz s LEU 13 CO 0.00 -0.30 1.04 -0.70 -1.32 0.00 0.00 176.35 175.07 3hkz s GLU 14 N 1.91 3.31 -0.11 1.98 2.56 -0.69 -1.59 118.70 126.08 3hkz s GLU 14 Ca -0.00 -1.20 -0.01 0.00 0.00 0.00 0.00 54.97 53.76 3hkz s GLU 14 Cb -0.17 -4.54 -0.03 0.00 2.00 0.00 0.00 34.13 31.40 3hkz s GLU 14 CO -0.08 -1.81 -0.08 -1.17 -0.56 0.00 0.00 175.26 171.56 3hkz s LEU 15 N 3.57 3.08 -0.43 2.70 2.96 0.15 -1.15 118.68 129.56 3hkz s LEU 15 Ca 0.27 -0.13 -0.09 0.00 -0.22 0.00 0.00 54.13 53.96 3hkz s LEU 15 Cb -0.12 -1.69 0.09 0.00 0.50 0.00 0.00 46.19 44.97 3hkz s LEU 15 CO 0.02 0.26 0.28 -0.70 -1.32 0.00 0.00 176.35 174.89 3hkz s GLU 16 N -0.19 2.55 -0.75 1.98 2.12 -1.17 0.22 118.70 123.44 3hkz s GLU 16 Ca 0.02 -1.57 -0.18 0.00 0.36 0.00 0.00 54.97 53.61 3hkz s GLU 16 Cb -0.13 -3.82 0.14 0.00 0.26 0.00 0.00 34.13 30.58 3hkz s GLU 16 CO 0.03 -1.03 0.85 0.42 -0.54 0.00 0.00 175.26 174.98 3hkz s ILE 17 N 1.40 4.99 0.17 -3.70 1.01 0.13 -3.35 121.20 121.85 3hkz s ILE 17 Ca 0.04 -1.53 -0.30 0.00 0.00 0.00 0.00 60.65 58.86 3hkz s ILE 17 Cb -0.24 -4.57 -0.07 0.00 0.01 0.00 0.00 42.46 37.59 3hkz s ILE 17 CO 0.01 -1.22 1.05 -0.70 0.00 0.00 0.00 174.94 174.08 3hkz s GLU 18 N 2.06 4.64 0.00 2.79 2.12 -1.23 -2.55 118.70 126.53 3hkz s GLU 18 Ca 0.19 1.64 0.00 0.00 0.36 0.00 0.00 54.97 57.16 3hkz s GLU 18 Cb -0.15 -3.30 0.00 0.00 0.26 0.00 0.00 34.13 30.94 3hkz s GLU 18 CO -0.02 0.15 0.00 0.41 -0.54 0.00 0.00 175.26 175.26 3hkz n GLY 19 N 2.03 0.69 3.71 -1.50 0.00 0.51 -2.68 105.19 107.96 3hkz n GLY 19 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 3hkz n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hkz s GLU 20 N -0.65 2.11 0.00 1.61 0.41 -1.05 -4.96 118.70 116.17 3hkz s GLU 20 Ca 0.00 -2.14 0.00 0.00 -0.41 0.00 0.00 54.97 52.42 3hkz s GLU 20 Cb 0.00 -1.71 0.00 0.00 -1.78 0.00 0.00 34.13 30.64 3hkz s GLU 20 CO 0.00 -0.20 0.00 -0.40 -0.49 0.00 0.00 175.26 174.17 3hkz n ASP 21 N -1.17 0.00 0.00 -0.19 5.68 -1.26 -4.13 116.55 115.47 3hkz n ASP 21 Ca -0.08 0.00 0.11 0.00 -0.50 0.00 0.00 54.79 54.31 3hkz n ASP 21 Cb 0.66 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.59 3hkz n ASP 21 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 3hkz n HIS 22 N 0.00 0.03 0.05 2.11 8.25 -1.26 -1.11 115.22 123.29 3hkz n HIS 22 Ca 0.00 0.01 -0.02 0.00 -0.26 0.00 0.00 57.72 57.44 3hkz n HIS 22 Cb 0.00 -0.14 -0.01 0.00 1.12 0.00 0.00 29.99 30.96 3hkz n HIS 22 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3hkz h THR 23 N 0.00 0.00 -0.44 1.59 2.02 -1.99 -2.28 112.91 111.81 3hkz h THR 23 Ca 0.00 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 66.87 3hkz h THR 23 Cb 0.58 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 3hkz h THR 23 CO 0.00 0.00 0.21 0.25 0.37 0.00 0.00 175.52 176.35 3hkz h LEU 24 N -0.45 0.57 -0.18 2.58 7.12 -1.99 -3.26 115.31 119.71 3hkz h LEU 24 Ca -0.02 -0.12 0.05 0.00 0.13 0.00 0.00 57.88 57.92 3hkz h LEU 24 Cb 0.12 -0.15 -0.07 0.00 -0.53 0.00 0.00 40.66 40.04 3hkz h LEU 24 CO 0.03 0.53 -0.31 1.23 -0.13 0.00 0.00 178.44 179.80 3hkz h GLY 25 N 0.57 -0.37 0.51 3.75 0.00 -1.23 -2.38 103.07 103.92 3hkz h GLY 25 Ca 0.15 0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.85 3hkz h GLY 25 CO -0.02 -0.21 -0.10 -0.57 0.00 0.00 0.00 176.54 175.63 3hkz h ASN 26 N -0.35 -0.24 -0.96 0.19 -1.24 -1.50 -3.24 115.58 108.24 3hkz h ASN 26 Ca 0.11 -0.28 0.27 0.00 0.71 0.00 0.00 56.30 57.11 3hkz h ASN 26 Cb 0.53 0.06 -0.04 0.00 0.73 0.00 0.00 38.32 39.60 3hkz h ASN 26 CO -0.38 0.22 0.68 0.25 -1.29 0.00 0.00 177.43 176.92 3hkz h LEU 27 N -0.78 0.03 0.00 0.34 5.85 -1.59 0.12 115.31 119.29 3hkz h LEU 27 Ca -0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3hkz h LEU 27 Cb 0.51 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.54 3hkz h LEU 27 CO 0.05 0.01 0.00 -0.38 -0.34 0.00 0.00 178.44 177.78 3hkz n ILE 28 N -4.27 0.00 0.12 4.05 2.08 -0.90 -3.26 119.36 117.18 3hkz n ILE 28 Ca 0.20 0.82 0.17 0.00 0.56 0.00 0.00 62.75 64.50 3hkz n ILE 28 Cb 1.01 -1.73 0.72 0.00 -0.75 0.00 0.00 39.64 38.88 3hkz n ILE 28 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3hkz h ALA 29 N -2.06 2.18 -0.09 -1.39 0.00 -1.28 -1.39 119.26 115.22 3hkz h ALA 29 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3hkz h ALA 29 Cb 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3hkz h ALA 29 CO 0.00 -0.41 -0.12 0.78 0.00 0.00 0.00 179.25 179.51 3hkz h GLY 30 N 0.00 0.27 1.91 0.00 0.00 -0.95 -1.05 103.07 103.24 3hkz h GLY 30 Ca 0.15 -0.29 -0.17 0.00 0.00 0.00 0.00 47.33 47.02 3hkz h GLY 30 CO -0.00 0.26 -0.80 -0.84 0.00 0.00 0.00 176.54 175.16 3hkz h THR 31 N -0.18 1.52 -0.48 4.70 2.02 -1.46 -3.21 112.91 115.83 3hkz h THR 31 Ca 0.01 -2.59 -0.30 0.00 0.77 0.00 0.00 66.41 64.30 3hkz h THR 31 Cb 0.65 2.41 -0.14 0.00 -1.74 0.00 0.00 68.15 69.33 3hkz h THR 31 CO 0.03 0.75 0.39 -0.11 0.37 0.00 0.00 175.52 176.94 3hkz n LEU 32 N -3.65 5.84 -0.07 2.58 -0.00 -0.56 -2.06 117.00 119.10 3hkz n LEU 32 Ca -0.02 -3.01 -0.08 0.00 -0.00 0.00 0.00 56.01 52.90 3hkz n LEU 32 Cb 0.76 -0.90 -0.08 0.00 -0.00 0.00 0.00 43.42 43.19 3hkz n LEU 32 CO 0.45 1.05 -0.93 0.54 -0.00 0.00 0.00 177.39 178.50 3hkz n ARG 33 N 0.08 1.24 0.08 1.96 1.74 -0.41 -4.64 116.66 116.71 3hkz n ARG 33 Ca 0.30 0.04 -0.05 0.00 -0.77 0.00 0.00 57.85 57.37 3hkz n ARG 33 Cb 0.77 -1.30 0.12 0.00 -1.02 0.00 0.00 32.46 31.03 3hkz n ARG 33 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hkz h ARG 34 N 0.00 0.26 -6.62 5.56 3.08 -1.56 -3.38 114.38 111.74 3hkz h ARG 34 Ca -0.32 -0.18 -0.56 0.00 0.07 0.00 0.00 59.98 58.99 3hkz h ARG 34 Cb 1.61 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 31.62 3hkz h ARG 34 CO -0.02 0.78 1.00 0.42 -1.07 0.00 0.00 179.97 181.09 3hkz s ILE 35 N -3.79 4.04 0.00 2.04 1.01 -1.11 -3.63 121.20 119.76 3hkz s ILE 35 Ca -0.04 1.04 0.00 0.00 0.00 0.00 0.00 60.65 61.65 3hkz s ILE 35 Cb 0.12 -4.43 0.00 0.00 0.01 0.00 0.00 42.46 38.16 3hkz s ILE 35 CO 0.80 -0.93 0.00 -1.54 0.00 0.00 0.00 174.94 173.27 3hkz n SER 36 N 8.41 -4.89 -0.55 3.58 3.41 -1.26 -3.68 113.62 118.63 3hkz n SER 36 Ca 0.14 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.69 3hkz n SER 36 Cb 0.49 -3.17 -0.01 0.00 -0.26 0.00 0.00 64.21 61.26 3hkz n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hkz n GLY 37 N 0.60 0.47 3.54 5.00 0.00 -1.24 -4.97 105.19 108.59 3hkz n GLY 37 Ca 0.00 -0.72 -0.50 0.00 0.00 0.00 0.00 46.02 44.80 3hkz n GLY 37 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hkz n VAL 38 N -3.44 1.05 0.09 1.61 0.31 -1.24 -4.76 118.33 111.95 3hkz n VAL 38 Ca -0.06 -0.26 0.19 0.00 -0.01 0.00 0.00 64.34 64.20 3hkz n VAL 38 Cb 0.38 -0.62 0.62 0.00 -0.91 0.00 0.00 33.84 33.31 3hkz n VAL 38 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 3hkz h SER 39 N 2.83 0.00 -2.63 4.52 0.87 -1.88 -3.42 113.55 113.84 3hkz h SER 39 Ca -0.42 0.00 0.12 0.00 -1.23 0.00 0.00 61.79 60.26 3hkz h SER 39 Cb 1.37 0.00 -0.28 0.00 -0.44 0.00 0.00 62.40 63.05 3hkz h SER 39 CO 0.67 0.00 0.48 0.12 -0.53 0.00 0.00 176.83 177.57 3hkz s PHE 40 N -4.40 -0.45 -0.24 2.24 5.36 -1.02 -5.00 117.98 114.46 3hkz s PHE 40 Ca -0.03 0.96 -0.19 0.00 -0.96 0.00 0.00 56.93 56.70 3hkz s PHE 40 Cb 0.12 0.33 0.07 0.00 -0.34 0.00 0.00 43.02 43.20 3hkz s PHE 40 CO 0.42 -0.22 0.62 0.00 -1.46 0.00 0.00 175.22 174.58 3hkz s ALA 41 N 0.90 -1.59 0.18 11.12 0.00 -1.26 0.23 121.76 131.34 3hkz s ALA 41 Ca -0.04 1.91 -0.09 0.00 0.00 0.00 0.00 51.96 53.74 3hkz s ALA 41 Cb -0.04 -1.12 0.03 0.00 0.00 0.00 0.00 23.12 22.00 3hkz s ALA 41 CO -0.12 -0.31 0.46 -1.13 0.00 0.00 0.00 175.76 174.66 3hkz n SER 42 N 3.27 -1.14 -3.64 0.00 3.41 -1.05 -4.90 113.62 109.57 3hkz n SER 42 Ca -0.16 -1.74 -0.09 0.00 -0.26 0.00 0.00 58.87 56.62 3hkz n SER 42 Cb 0.56 1.89 -0.02 0.00 -0.26 0.00 0.00 64.21 66.38 3hkz n SER 42 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 3hkz s TYR 43 N -4.89 -0.35 0.00 7.33 -0.85 -1.26 -1.42 117.35 115.91 3hkz s TYR 43 Ca 0.10 0.03 0.00 0.00 -0.52 0.00 0.00 57.07 56.68 3hkz s TYR 43 Cb -0.02 0.63 0.00 0.00 0.38 0.00 0.00 41.96 42.94 3hkz s TYR 43 CO 0.05 -0.99 0.00 2.48 -1.52 0.00 0.00 175.55 175.58 3hkz n TYR 44 N -0.41 -0.21 -3.71 -3.49 -0.00 -0.95 -5.00 117.16 103.39 3hkz n TYR 44 Ca -0.10 0.00 -0.18 0.00 -0.00 0.00 0.00 57.90 57.62 3hkz n TYR 44 Cb 0.62 0.00 -0.17 0.00 -0.00 0.00 0.00 39.34 39.79 3hkz n TYR 44 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.86 178.00 3hkz s GLN 45 N -0.54 -0.05 0.06 -3.48 -2.07 -1.26 -1.39 119.66 110.92 3hkz s GLN 45 Ca 0.00 0.32 -0.11 0.00 -1.82 0.00 0.00 55.36 53.75 3hkz s GLN 45 Cb 0.00 -0.38 -0.03 0.00 -1.09 0.00 0.00 33.01 31.52 3hkz s GLN 45 CO 0.00 -0.26 0.59 -2.30 -1.32 0.00 0.00 175.29 172.00 3hkz n PRO 46 N 4.82 -0.16 0.00 9.60 -0.02 -1.24 -4.71 135.00 143.29 3hkz n PRO 46 Ca -0.14 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 3hkz n PRO 46 Cb 0.50 -0.85 0.00 0.00 -0.02 0.00 0.00 33.50 33.13 3hkz n PRO 46 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 3hkz n HIS 47 N -4.31 0.00 -0.39 6.00 1.44 -1.26 -5.06 115.22 111.64 3hkz n HIS 47 Ca 0.01 0.00 0.32 0.00 -2.01 0.00 0.00 57.72 56.04 3hkz n HIS 47 Cb 0.09 0.00 0.52 0.00 0.12 0.00 0.00 29.99 30.72 3hkz n HIS 47 CO 0.00 0.00 0.00 -2.30 -2.81 0.00 0.00 176.34 171.23 3hkz n PRO 48 N -0.04 -0.02 -0.57 -1.40 -0.02 -1.26 -0.21 135.00 131.48 3hkz n PRO 48 Ca 0.00 0.88 -0.04 0.00 -2.02 0.00 0.00 63.50 62.32 3hkz n PRO 48 Cb 0.00 -1.80 -0.06 0.00 -0.02 0.00 0.00 33.50 31.62 3hkz n PRO 48 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3hkz n LEU 49 N -3.94 4.23 -3.64 2.45 4.32 -1.26 -4.44 117.00 114.72 3hkz n LEU 49 Ca 0.30 -2.23 -0.11 0.00 -0.02 0.00 0.00 56.01 53.95 3hkz n LEU 49 Cb 1.23 -1.00 -0.07 0.00 -1.62 0.00 0.00 43.42 41.96 3hkz n LEU 49 CO 0.18 1.00 0.38 -0.94 -1.22 0.00 0.00 177.39 176.79 3hkz s SER 50 N 2.09 -0.81 -0.11 -1.43 1.04 0.70 -5.04 113.70 110.14 3hkz s SER 50 Ca 0.23 1.44 0.01 0.00 0.48 0.00 0.00 55.95 58.11 3hkz s SER 50 Cb 0.11 1.40 0.15 0.00 0.10 0.00 0.00 66.02 67.79 3hkz s SER 50 CO 0.00 -0.24 1.32 -0.67 0.98 0.00 0.00 173.24 174.63 3hkz n ASP 51 N 3.31 3.53 -4.08 7.02 -0.08 -1.26 -4.74 116.55 120.26 3hkz n ASP 51 Ca -0.16 -2.43 -0.32 0.00 -1.51 0.00 0.00 54.79 50.37 3hkz n ASP 51 Cb 0.57 -0.65 -0.16 0.00 2.34 0.00 0.00 41.12 43.22 3hkz n ASP 51 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 3hkz s LYS 52 N -0.81 2.66 0.15 -0.67 1.02 -1.26 -0.36 119.74 120.47 3hkz s LYS 52 Ca 0.14 -0.81 0.10 0.00 0.02 0.00 0.00 55.97 55.41 3hkz s LYS 52 Cb 0.12 -2.47 -0.04 0.00 -0.52 0.00 0.00 37.83 34.91 3hkz s LYS 52 CO 0.02 -0.27 -0.18 0.96 -0.92 0.00 0.00 175.35 174.96 3hkz s ILE 53 N 1.33 2.75 -0.02 2.17 -5.25 -1.06 -3.69 121.20 117.43 3hkz s ILE 53 Ca 0.03 -1.71 0.05 0.00 -0.99 0.00 0.00 60.65 58.03 3hkz s ILE 53 Cb -0.14 -2.30 -0.03 0.00 2.95 0.00 0.00 42.46 42.94 3hkz s ILE 53 CO -0.11 -0.01 -0.16 -0.63 -1.79 0.00 0.00 174.94 172.24 3hkz s ILE 54 N -1.42 2.95 -0.15 8.37 1.09 -0.49 0.19 121.20 131.75 3hkz s ILE 54 Ca 0.20 -0.87 -0.02 0.00 -1.10 0.00 0.00 60.65 58.86 3hkz s ILE 54 Cb -0.09 -2.18 -0.02 0.00 -1.06 0.00 0.00 42.46 39.11 3hkz s ILE 54 CO 0.11 0.52 -0.08 0.68 -0.10 0.00 0.00 174.94 176.07 3hkz s VAL 55 N -0.79 3.48 -0.20 2.92 -7.23 0.58 -2.25 120.40 116.92 3hkz s VAL 55 Ca 0.12 -0.50 -0.05 0.00 -1.81 0.00 0.00 61.98 59.74 3hkz s VAL 55 Cb -0.11 -2.50 -0.02 0.00 0.56 0.00 0.00 36.38 34.31 3hkz s VAL 55 CO 0.02 0.50 0.01 -0.54 -0.31 0.00 0.00 175.10 174.78 3hkz s LYS 56 N 0.41 3.63 -0.11 4.82 1.02 -0.51 0.32 119.74 129.32 3hkz s LYS 56 Ca -0.07 -0.51 0.03 0.00 0.02 0.00 0.00 55.97 55.44 3hkz s LYS 56 Cb -0.15 -3.10 0.00 0.00 -0.52 0.00 0.00 37.83 34.07 3hkz s LYS 56 CO 0.04 0.01 -0.23 0.42 -0.92 0.00 0.00 175.35 174.67 3hkz s ILE 57 N 1.01 2.15 -0.55 2.17 1.01 -0.62 -2.54 121.20 123.83 3hkz s ILE 57 Ca 0.02 -0.98 0.03 0.00 0.00 0.00 0.00 60.65 59.71 3hkz s ILE 57 Cb -0.14 -1.83 0.14 0.00 0.01 0.00 0.00 42.46 40.63 3hkz s ILE 57 CO 0.02 0.55 0.30 -0.22 0.00 0.00 0.00 174.94 175.60 3hkz s LEU 58 N 0.42 4.52 0.13 2.97 2.96 0.14 -1.25 118.68 128.57 3hkz s LEU 58 Ca -0.16 -3.00 -0.26 0.00 -0.22 0.00 0.00 54.13 50.48 3hkz s LEU 58 Cb -0.17 -1.69 -0.07 0.00 0.50 0.00 0.00 46.19 44.76 3hkz s LEU 58 CO 0.07 -0.26 0.82 0.28 -1.32 0.00 0.00 176.35 175.94 3hkz s THR 59 N -0.27 4.45 -0.83 3.68 -1.32 -1.25 -2.44 115.64 117.66 3hkz s THR 59 Ca 0.17 1.78 -0.02 0.00 -1.21 0.00 0.00 61.69 62.41 3hkz s THR 59 Cb -0.24 -4.18 0.36 0.00 -1.51 0.00 0.00 72.50 66.93 3hkz s THR 59 CO -0.01 0.45 2.01 -0.90 -2.21 0.00 0.00 174.62 173.97 3hkz n ASP 60 N 2.07 7.51 0.00 8.08 5.68 -1.26 -4.74 116.55 133.88 3hkz n ASP 60 Ca -0.03 -3.83 0.00 0.00 -0.50 0.00 0.00 54.79 50.42 3hkz n ASP 60 Cb 0.49 -1.05 0.00 0.00 -1.14 0.00 0.00 41.12 39.42 3hkz n ASP 60 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hkz n GLY 61 N -0.57 0.46 0.36 6.12 0.00 -1.26 -4.66 105.19 105.64 3hkz n GLY 61 Ca 0.55 0.00 0.33 0.00 0.00 0.00 0.00 46.02 46.89 3hkz n GLY 61 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hkz h SER 62 N 0.00 0.32 -4.62 1.61 0.02 -1.99 -3.38 113.55 105.50 3hkz h SER 62 Ca 0.00 0.23 -0.48 0.00 -0.84 0.00 0.00 61.79 60.70 3hkz h SER 62 Cb 0.00 0.23 -0.11 0.00 0.14 0.00 0.00 62.40 62.65 3hkz h SER 62 CO 0.00 -0.36 -0.42 -0.38 -1.14 0.00 0.00 176.83 174.53 3hkz n ILE 63 N -5.10 0.00 -2.42 3.27 2.08 -1.26 -5.11 119.36 110.82 3hkz n ILE 63 Ca 0.38 -2.16 -0.24 0.00 0.56 0.00 0.00 62.75 61.29 3hkz n ILE 63 Cb 1.31 0.88 0.07 0.00 -0.75 0.00 0.00 39.64 41.16 3hkz n ILE 63 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 3hkz s THR 64 N -3.03 2.38 0.01 1.39 -4.23 -1.26 -4.39 115.64 106.51 3hkz s THR 64 Ca 0.25 -0.46 -0.25 0.00 -1.18 0.00 0.00 61.69 60.04 3hkz s THR 64 Cb 0.01 -2.92 -0.17 0.00 1.34 0.00 0.00 72.50 70.76 3hkz s THR 64 CO 0.17 0.00 1.33 1.55 -0.54 0.00 0.00 174.62 177.13 3hkz h PRO 65 N -0.40 -0.25 -1.44 3.99 0.13 -1.91 -1.12 132.00 131.01 3hkz h PRO 65 Ca -0.42 0.02 0.42 0.00 -0.87 0.00 0.00 66.00 65.14 3hkz h PRO 65 Cb 1.30 0.06 -0.06 0.00 0.13 0.00 0.00 31.00 32.42 3hkz h PRO 65 CO 0.52 0.07 1.08 1.63 -0.23 0.00 0.00 178.00 181.07 3hkz n LYS 66 N -5.06 0.00 -0.00 0.86 5.02 -1.26 -0.45 118.16 117.27 3hkz n LYS 66 Ca -0.09 0.82 0.02 0.00 -2.02 0.00 0.00 58.31 57.05 3hkz n LYS 66 Cb 0.23 -1.92 -0.03 0.00 -0.02 0.00 0.00 35.03 33.28 3hkz n LYS 66 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3hkz n ASP 67 N -3.39 3.65 0.08 4.39 8.00 -1.22 -4.13 116.55 123.92 3hkz n ASP 67 Ca 0.32 -0.05 -0.04 0.00 0.71 0.00 0.00 54.79 55.73 3hkz n ASP 67 Cb 1.51 1.18 0.18 0.00 -0.02 0.00 0.00 41.12 43.97 3hkz n ASP 67 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hkz h ALA 68 N 0.42 1.00 0.13 2.24 0.00 0.58 -2.67 119.26 120.97 3hkz h ALA 68 Ca 0.00 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 3hkz h ALA 68 Cb 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3hkz h ALA 68 CO 0.00 0.64 -0.06 1.25 0.00 0.00 0.00 179.25 181.07 3hkz h LEU 69 N 0.23 -0.15 -1.18 0.00 6.46 -1.58 -2.62 115.31 116.47 3hkz h LEU 69 Ca 0.01 0.01 0.41 0.00 -0.12 0.00 0.00 57.88 58.19 3hkz h LEU 69 Cb 0.91 0.04 -0.12 0.00 -0.73 0.00 0.00 40.66 40.76 3hkz h LEU 69 CO 0.07 0.31 0.76 0.18 -0.62 0.00 0.00 178.44 179.14 3hkz n LEU 70 N -4.76 0.18 0.12 2.25 4.32 -1.24 0.24 117.00 118.11 3hkz n LEU 70 Ca -0.02 1.19 -0.12 0.00 -0.02 0.00 0.00 56.01 57.04 3hkz n LEU 70 Cb 0.07 -0.59 -0.08 0.00 -1.62 0.00 0.00 43.42 41.20 3hkz n LEU 70 CO 0.05 -1.30 0.51 0.50 -1.22 0.00 0.00 177.39 175.94 3hkz h LYS 71 N 0.00 -0.32 -0.61 3.23 1.63 -1.53 -3.10 116.57 115.86 3hkz h LYS 71 Ca 0.76 0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 60.56 3hkz h LYS 71 Cb 2.44 0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 34.11 3hkz h LYS 71 CO -0.40 0.03 0.32 0.00 -3.45 0.00 0.00 179.45 175.94 3hkz h ALA 72 N -0.19 0.79 -0.95 5.00 0.00 0.34 0.63 119.26 124.87 3hkz h ALA 72 Ca -0.03 -0.12 0.14 0.00 0.00 0.00 0.00 54.91 54.90 3hkz h ALA 72 Cb 0.50 -0.24 -0.15 0.00 0.00 0.00 0.00 17.79 17.90 3hkz h ALA 72 CO 0.06 0.33 -0.40 0.82 0.00 0.00 0.00 179.25 180.05 3hkz h ILE 73 N 0.84 0.02 -0.03 0.00 1.08 -0.55 0.32 117.51 119.19 3hkz h ILE 73 Ca 0.21 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.68 3hkz h ILE 73 Cb 0.08 0.02 -0.00 0.00 -3.07 0.00 0.00 36.82 33.85 3hkz h ILE 73 CO -0.03 0.00 0.01 -0.08 -0.69 0.00 0.00 178.15 177.36 3hkz h GLU 74 N -0.02 0.04 -0.95 2.37 4.22 -1.18 -1.68 114.58 117.38 3hkz h GLU 74 Ca 0.32 -0.01 0.17 0.00 0.08 0.00 0.00 59.36 59.92 3hkz h GLU 74 Cb 0.58 -0.01 -0.17 0.00 0.50 0.00 0.00 28.75 29.66 3hkz h GLU 74 CO -0.95 0.19 -0.31 0.09 -2.18 0.00 0.00 179.01 175.85 3hkz n ASN 75 N -4.99 -0.49 -0.04 1.04 4.13 0.21 -0.94 115.26 114.17 3hkz n ASN 75 Ca -0.07 1.65 -0.14 0.00 1.68 0.00 0.00 54.58 57.71 3hkz n ASN 75 Cb 0.11 -0.43 -0.08 0.00 -1.54 0.00 0.00 39.78 37.83 3hkz n ASN 75 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 3hkz h ILE 76 N 0.00 1.38 -0.89 2.41 2.04 -0.28 -0.18 117.51 122.00 3hkz h ILE 76 Ca 0.39 -1.40 0.16 0.00 1.00 0.00 0.00 64.86 65.01 3hkz h ILE 76 Cb 0.63 2.05 -0.16 0.00 -0.74 0.00 0.00 36.82 38.60 3hkz h ILE 76 CO -0.96 0.40 -0.29 -1.14 0.00 0.00 0.00 178.15 176.15 3hkz n ARG 77 N -4.57 -0.15 0.34 2.37 0.63 -0.51 0.35 116.66 115.11 3hkz n ARG 77 Ca -0.07 1.38 -0.17 0.00 -0.92 0.00 0.00 57.85 58.07 3hkz n ARG 77 Cb 0.38 -2.06 -0.09 0.00 0.45 0.00 0.00 32.46 31.14 3hkz n ARG 77 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 3hkz h GLY 78 N 0.00 -0.90 -0.45 5.14 0.00 -0.66 -2.17 103.07 104.02 3hkz h GLY 78 Ca 0.36 0.35 0.05 0.00 0.00 0.00 0.00 47.33 48.09 3hkz h GLY 78 CO -0.90 -0.33 -0.43 1.98 0.00 0.00 0.00 176.54 176.85 3hkz h MET 79 N -0.86 -0.20 -0.52 4.80 -1.53 0.11 -0.60 114.93 116.14 3hkz h MET 79 Ca -0.08 0.01 0.08 0.00 -3.44 0.00 0.00 59.70 56.27 3hkz h MET 79 Cb 0.67 0.05 -0.03 0.00 -0.55 0.00 0.00 31.60 31.74 3hkz h MET 79 CO 0.12 -0.13 0.35 1.15 0.14 0.00 0.00 176.91 178.53 3hkz h THR 80 N -0.21 0.93 -0.39 -0.77 2.02 -0.12 -3.04 112.91 111.33 3hkz h THR 80 Ca 0.08 -0.13 0.07 0.00 0.77 0.00 0.00 66.41 67.20 3hkz h THR 80 Cb 0.41 0.52 -0.07 0.00 -1.74 0.00 0.00 68.15 67.27 3hkz h THR 80 CO -0.54 0.07 -0.03 0.28 0.37 0.00 0.00 175.52 175.67 3hkz h SER 81 N 0.38 -0.22 -0.24 4.18 0.02 -0.42 -2.24 113.55 115.01 3hkz h SER 81 Ca 0.23 0.10 -0.13 0.00 -0.84 0.00 0.00 61.79 61.14 3hkz h SER 81 Cb 0.42 0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.14 3hkz h SER 81 CO -0.06 -0.07 -0.38 0.45 -1.14 0.00 0.00 176.83 175.64 3hkz h HIS 82 N 0.07 0.84 -0.71 3.45 3.86 -1.48 -0.79 115.15 120.38 3hkz h HIS 82 Ca 0.19 -0.29 0.20 0.00 -1.16 0.00 0.00 60.37 59.32 3hkz h HIS 82 Cb 0.27 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.55 3hkz h HIS 82 CO -0.29 1.05 0.51 -0.92 0.86 0.00 0.00 177.93 179.14 3hkz h TYR 83 N 0.39 0.02 -0.03 2.45 3.20 -1.57 2.13 116.97 123.56 3hkz h TYR 83 Ca 0.02 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.83 3hkz h TYR 83 Cb 0.97 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.23 3hkz h TYR 83 CO 0.08 0.01 -0.23 0.82 -1.64 0.00 0.00 178.16 177.20 3hkz h ILE 84 N 0.02 1.48 0.00 1.81 1.08 -0.80 0.12 117.51 121.23 3hkz h ILE 84 Ca 0.34 -1.76 0.00 0.00 -0.39 0.00 0.00 64.86 63.05 3hkz h ILE 84 Cb 1.33 2.52 0.00 0.00 -3.07 0.00 0.00 36.82 37.61 3hkz h ILE 84 CO -0.01 0.49 0.00 0.47 -0.69 0.00 0.00 178.15 178.41 3hkz n ASP 85 N -4.52 0.00 -0.00 1.72 8.00 0.39 -0.75 116.55 121.38 3hkz n ASP 85 Ca -0.09 -0.18 0.06 0.00 0.71 0.00 0.00 54.79 55.29 3hkz n ASP 85 Cb 0.47 -0.25 -0.08 0.00 -0.02 0.00 0.00 41.12 41.23 3hkz n ASP 85 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3hkz n GLU 86 N -1.25 1.80 0.09 -1.24 1.02 0.70 -3.95 120.64 117.81 3hkz n GLU 86 Ca 0.13 -0.05 -0.23 0.00 -0.02 0.00 0.00 57.16 56.99 3hkz n GLU 86 Cb 0.20 -1.17 -0.15 0.00 -0.02 0.00 0.00 31.44 30.29 3hkz n GLU 86 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 3hkz h ILE 87 N 0.00 1.25 0.00 -3.67 6.09 -0.10 -2.64 117.51 118.44 3hkz h ILE 87 Ca 0.00 -2.59 0.00 0.00 -1.37 0.00 0.00 64.86 60.90 3hkz h ILE 87 Cb 0.42 3.00 0.00 0.00 0.47 0.00 0.00 36.82 40.71 3hkz h ILE 87 CO 0.00 0.78 0.00 0.29 -3.07 0.00 0.00 178.15 176.15 3hkz n LYS 88 N -3.83 0.19 -0.00 2.19 5.02 0.07 -3.81 118.16 117.98 3hkz n LYS 88 Ca -0.19 0.45 -0.21 0.00 -2.02 0.00 0.00 58.31 56.35 3hkz n LYS 88 Cb 1.00 -1.89 -0.14 0.00 -0.02 0.00 0.00 35.03 33.99 3hkz n LYS 88 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3hkz h GLY 89 N 2.01 0.24 -5.99 0.72 0.00 -1.66 -3.34 103.07 95.06 3hkz h GLY 89 Ca 0.00 -0.63 -0.75 0.00 0.00 0.00 0.00 47.33 45.96 3hkz h GLY 89 CO 0.00 0.55 0.55 1.04 0.00 0.00 0.00 176.54 178.68 3hkz n LEU 90 N -4.03 6.52 0.00 3.11 4.32 -1.00 -4.53 117.00 121.38 3hkz n LEU 90 Ca -0.23 -5.47 0.00 0.00 -0.02 0.00 0.00 56.01 50.29 3hkz n LEU 90 Cb 0.85 -1.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.65 3hkz n LEU 90 CO 0.40 2.13 0.00 0.35 -1.22 0.00 0.00 177.39 179.05 3hkz n THR 91 N -0.08 0.00 0.36 -5.08 -2.24 -1.25 -4.99 114.28 101.00 3hkz n THR 91 Ca 0.42 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 62.23 3hkz n THR 91 Cb 0.30 -0.16 0.17 0.00 -2.10 0.00 0.00 70.33 68.54 3hkz n THR 91 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79