#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hkz n SER 2 N 0.00 1.53 0.00 3.17 3.41 -1.26 -5.02 113.62 115.44 3hkz n SER 2 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3hkz n SER 2 Cb 0.00 0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 3hkz n SER 2 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3hkz n SER 3 N -1.42 0.00 0.00 4.04 3.41 -1.26 -4.99 113.62 113.40 3hkz n SER 3 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3hkz n SER 3 Cb 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 3hkz n SER 3 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3hkz n VAL 4 N 0.00 0.00 -3.51 -3.33 0.31 -1.26 -5.15 118.33 105.39 3hkz n VAL 4 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.16 3hkz n VAL 4 Cb 0.00 -0.04 -0.06 0.00 -0.91 0.00 0.00 33.84 32.83 3hkz n VAL 4 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 3hkz s TYR 5 N -1.05 -0.64 -0.18 3.52 5.04 -1.26 -5.14 117.35 117.64 3hkz s TYR 5 Ca 0.00 1.05 -0.03 0.00 -2.44 0.00 0.00 57.07 55.65 3hkz s TYR 5 Cb 0.00 0.42 -0.02 0.00 0.35 0.00 0.00 41.96 42.72 3hkz s TYR 5 CO 0.00 -0.63 -0.05 0.42 -1.34 0.00 0.00 175.55 173.95 3hkz s ILE 6 N -1.42 3.56 0.00 3.14 -1.09 -1.26 -5.06 121.20 119.08 3hkz s ILE 6 Ca -0.10 -0.45 0.00 0.00 -2.23 0.00 0.00 60.65 57.87 3hkz s ILE 6 Cb -0.00 -2.58 0.00 0.00 -1.58 0.00 0.00 42.46 38.30 3hkz s ILE 6 CO 0.08 0.46 0.00 0.52 -1.23 0.00 0.00 174.94 174.77 3hkz n VAL 7 N 4.07 0.00 -4.14 2.92 0.31 -1.26 -5.03 118.33 115.21 3hkz n VAL 7 Ca -0.18 0.22 -0.16 0.00 -0.01 0.00 0.00 64.34 64.22 3hkz n VAL 7 Cb 0.52 -0.75 -0.14 0.00 -0.91 0.00 0.00 33.84 32.56 3hkz n VAL 7 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3hkz s GLU 8 N -0.44 0.40 -0.04 5.55 2.02 -1.26 -5.14 118.70 119.78 3hkz s GLU 8 Ca 0.00 -0.17 0.01 0.00 0.02 0.00 0.00 54.97 54.83 3hkz s GLU 8 Cb 0.00 -0.39 0.02 0.00 0.10 0.00 0.00 34.13 33.87 3hkz s GLU 8 CO 0.00 0.10 -0.04 -2.00 0.02 0.00 0.00 175.26 173.35 3hkz s GLU 9 N -0.10 0.73 -0.06 1.61 2.12 -1.26 -5.14 118.70 116.60 3hkz s GLU 9 Ca 0.02 -0.07 -0.11 0.00 0.36 0.00 0.00 54.97 55.17 3hkz s GLU 9 Cb -0.02 -0.78 0.02 0.00 0.26 0.00 0.00 34.13 33.62 3hkz s GLU 9 CO -0.00 -0.09 0.27 -1.01 -0.54 0.00 0.00 175.26 173.88 3hkz s HIS 10 N 0.94 -0.21 -0.04 5.30 3.76 -1.26 -5.16 115.29 118.62 3hkz s HIS 10 Ca -0.11 0.45 -0.12 0.00 -0.15 0.00 0.00 55.06 55.14 3hkz s HIS 10 Cb -0.14 0.08 -0.05 0.00 1.11 0.00 0.00 32.58 33.58 3hkz s HIS 10 CO -0.00 -0.25 0.31 0.71 -0.85 0.00 0.00 174.74 174.66 3hkz s TYR 11 N -0.58 3.67 0.04 1.40 1.51 -1.26 -5.12 117.35 117.02 3hkz s TYR 11 Ca -0.07 0.81 0.06 0.00 -1.01 0.00 0.00 57.07 56.86 3hkz s TYR 11 Cb -0.04 -2.15 -0.02 0.00 -0.11 0.00 0.00 41.96 39.64 3hkz s TYR 11 CO 0.02 0.67 -0.18 0.96 -1.11 0.00 0.00 175.55 175.91 3hkz s ILE 12 N -1.08 1.42 0.72 2.71 -4.36 -1.26 -4.93 121.20 114.42 3hkz s ILE 12 Ca 0.21 -1.09 -0.11 0.00 -0.26 0.00 0.00 60.65 59.40 3hkz s ILE 12 Cb -0.15 -1.25 0.02 0.00 1.25 0.00 0.00 42.46 42.33 3hkz s ILE 12 CO 0.10 0.13 1.07 -2.16 0.24 0.00 0.00 174.94 174.32 3hkz s PRO 13 N -1.13 2.72 0.43 0.37 0.04 -1.26 -4.89 135.00 131.28 3hkz s PRO 13 Ca 0.05 0.97 0.09 0.00 0.04 0.00 0.00 61.00 62.15 3hkz s PRO 13 Cb -0.08 -1.96 0.92 0.00 0.04 0.00 0.00 34.50 33.42 3hkz s PRO 13 CO 0.01 -1.26 2.06 1.88 0.04 0.00 0.00 177.00 179.74 3hkz h TYR 14 N -0.83 0.40 0.76 0.56 -1.99 -1.82 -2.25 116.97 111.79 3hkz h TYR 14 Ca -0.44 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.26 3hkz h TYR 14 Cb 1.22 -0.13 0.01 0.00 2.00 0.00 0.00 36.73 39.82 3hkz h TYR 14 CO 0.60 0.27 -0.37 0.66 -0.00 0.00 0.00 178.16 179.33 3hkz h SER 15 N 0.42 -0.87 -0.89 3.88 4.64 -1.85 -3.24 113.55 115.65 3hkz h SER 15 Ca 0.11 0.01 0.14 0.00 -0.47 0.00 0.00 61.79 61.59 3hkz h SER 15 Cb -0.01 0.22 -0.15 0.00 -0.31 0.00 0.00 62.40 62.16 3hkz h SER 15 CO -0.02 -0.54 -0.38 0.58 -0.87 0.00 0.00 176.83 175.60 3hkz h VAL 16 N -1.17 0.05 -0.81 0.95 2.07 -1.65 -1.95 116.25 113.74 3hkz h VAL 16 Ca -0.10 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.61 3hkz h VAL 16 Cb 0.80 0.05 -0.14 0.00 -1.52 0.00 0.00 31.29 30.48 3hkz h VAL 16 CO 0.17 0.00 0.08 0.00 0.02 0.00 0.00 177.57 177.84 3hkz h ALA 17 N 1.28 0.97 -0.05 1.67 0.00 -1.51 -1.89 119.26 119.72 3hkz h ALA 17 Ca 0.32 0.24 0.02 0.00 0.00 0.00 0.00 54.91 55.49 3hkz h ALA 17 Cb 0.59 0.39 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 3hkz h ALA 17 CO -0.91 -0.44 -0.43 0.87 0.00 0.00 0.00 179.25 178.34 3hkz h LYS 18 N 0.14 -0.49 0.00 0.00 1.57 -1.42 0.68 116.57 117.04 3hkz h LYS 18 Ca 0.47 0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 59.28 3hkz h LYS 18 Cb 0.87 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.30 3hkz h LYS 18 CO -0.68 -0.33 -0.00 0.87 -0.57 0.00 0.00 179.45 178.75 3hkz h LYS 19 N -0.51 0.00 0.00 3.15 1.79 -1.45 0.93 116.57 120.48 3hkz h LYS 19 Ca 0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 3hkz h LYS 19 Cb 0.56 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.21 3hkz h LYS 19 CO -0.31 0.00 -1.28 1.28 -1.08 0.00 0.00 179.45 178.06 3hkz n LEU 20 N -3.25 0.57 -0.07 2.94 4.77 -0.39 -4.36 117.00 117.21 3hkz n LEU 20 Ca -0.03 -0.15 -0.07 0.00 -0.03 0.00 0.00 56.01 55.72 3hkz n LEU 20 Cb 0.08 -0.04 -0.11 0.00 -2.33 0.00 0.00 43.42 41.01 3hkz n LEU 20 CO 0.22 0.09 -0.97 0.18 -1.33 0.00 0.00 177.39 175.58 3hkz n LEU 21 N -1.91 0.15 -0.31 2.23 4.77 0.22 -4.43 117.00 117.73 3hkz n LEU 21 Ca 0.01 -0.01 0.14 0.00 -0.03 0.00 0.00 56.01 56.12 3hkz n LEU 21 Cb 0.44 0.30 0.37 0.00 -2.33 0.00 0.00 43.42 42.21 3hkz n LEU 21 CO 0.43 0.38 1.21 0.74 -1.33 0.00 0.00 177.39 178.81 3hkz h THR 22 N 0.00 0.75 -0.86 -5.08 2.02 0.52 0.25 112.91 110.51 3hkz h THR 22 Ca -0.39 -0.24 0.21 0.00 0.77 0.00 0.00 66.41 66.77 3hkz h THR 22 Cb 1.87 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 68.23 3hkz h THR 22 CO 0.02 0.13 0.58 0.44 0.37 0.00 0.00 175.52 177.06 3hkz h ASP 23 N 0.69 0.26 0.11 4.18 5.19 -1.77 -1.63 116.42 123.44 3hkz h ASP 23 Ca 0.52 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.95 3hkz h ASP 23 Cb 0.89 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.38 3hkz h ASP 23 CO -0.28 0.10 -0.40 0.52 -3.12 0.00 0.00 179.24 176.06 3hkz n VAL 24 N -4.43 0.00 1.91 -1.35 0.31 0.85 -2.20 118.33 113.41 3hkz n VAL 24 Ca 0.18 -0.19 0.16 0.00 -0.01 0.00 0.00 64.34 64.48 3hkz n VAL 24 Cb 0.75 0.85 0.91 0.00 -0.91 0.00 0.00 33.84 35.44 3hkz n VAL 24 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3hkz n ILE 25 N -0.38 0.00 0.92 2.52 5.41 -0.62 -2.75 119.36 124.46 3hkz n ILE 25 Ca 0.10 -0.01 0.12 0.00 1.00 0.00 0.00 62.75 63.96 3hkz n ILE 25 Cb 0.41 -0.45 0.21 0.00 -0.71 0.00 0.00 39.64 39.10 3hkz n ILE 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3hkz n ARG 26 N -0.97 0.05 0.02 0.38 1.74 -0.93 -3.34 116.66 113.61 3hkz n ARG 26 Ca 0.23 0.01 0.11 0.00 -0.77 0.00 0.00 57.85 57.43 3hkz n ARG 26 Cb 0.14 -1.53 -0.03 0.00 -1.02 0.00 0.00 32.46 30.02 3hkz n ARG 26 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3hkz n SER 27 N -1.60 0.56 0.00 0.55 3.41 -1.11 -5.10 113.62 110.33 3hkz n SER 27 Ca 0.05 -0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 3hkz n SER 27 Cb 0.35 1.03 0.00 0.00 -0.26 0.00 0.00 64.21 65.33 3hkz n SER 27 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hkz n GLY 28 N 1.36 1.17 0.00 5.00 0.00 -1.14 -5.11 105.19 106.45 3hkz n GLY 28 Ca 0.01 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.94 3hkz n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hkz n GLY 29 N -1.57 -0.73 0.00 -0.02 0.00 -1.26 -4.04 105.19 97.57 3hkz n GLY 29 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.76 3hkz n GLY 29 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hkz n SER 30 N 0.00 0.00 0.00 1.61 3.41 -1.26 -4.98 113.62 112.40 3hkz n SER 30 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3hkz n SER 30 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3hkz n SER 30 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3hkz n SER 31 N 0.00 0.54 0.11 4.04 3.41 -1.26 -5.00 113.62 115.46 3hkz n SER 31 Ca 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.56 3hkz n SER 31 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 3hkz n SER 31 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3hkz h ASN 32 N 0.00 -0.25 -2.48 4.04 2.35 -2.03 -3.10 115.58 114.10 3hkz h ASN 32 Ca 0.00 0.01 -0.76 0.00 -0.55 0.00 0.00 56.30 54.99 3hkz h ASN 32 Cb 0.00 0.06 -0.31 0.00 0.05 0.00 0.00 38.32 38.13 3hkz h ASN 32 CO 0.00 -0.10 0.60 0.18 -1.65 0.00 0.00 177.43 176.46 3hkz n LEU 33 N -3.23 6.37 0.00 1.61 4.77 -1.26 -4.23 117.00 121.03 3hkz n LEU 33 Ca -0.04 -5.37 0.00 0.00 -0.03 0.00 0.00 56.01 50.57 3hkz n LEU 33 Cb 0.12 -1.09 0.00 0.00 -2.33 0.00 0.00 43.42 40.12 3hkz n LEU 33 CO 0.09 1.96 0.00 0.18 -1.33 0.00 0.00 177.39 178.29 3hkz n LEU 34 N 0.48 0.00 0.16 2.23 4.77 -1.26 -4.88 117.00 118.51 3hkz n LEU 34 Ca 0.36 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.36 3hkz n LEU 34 Cb 0.31 0.00 0.27 0.00 -2.33 0.00 0.00 43.42 41.68 3hkz n LEU 34 CO 0.56 0.00 0.61 1.56 -1.33 0.00 0.00 177.39 178.79 3hkz h GLN 35 N 0.00 0.00 0.00 3.23 4.20 -1.73 -2.92 115.11 117.89 3hkz h GLN 35 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3hkz h GLN 35 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3hkz h GLN 35 CO 0.00 0.48 0.00 0.54 -0.67 0.00 0.00 178.83 179.18 3hkz n ARG 36 N -3.76 0.19 -0.01 1.46 1.74 -1.26 -1.03 116.66 113.98 3hkz n ARG 36 Ca -0.01 0.16 -0.01 0.00 -0.77 0.00 0.00 57.85 57.22 3hkz n ARG 36 Cb 0.53 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.35 3hkz n ARG 36 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3hkz n THR 37 N -1.28 1.07 0.05 0.55 -1.04 -1.10 -3.46 114.28 109.06 3hkz n THR 37 Ca 0.06 -0.71 -0.03 0.00 -2.04 0.00 0.00 64.05 61.34 3hkz n THR 37 Cb 0.11 -0.56 0.22 0.00 -1.82 0.00 0.00 70.33 68.27 3hkz n THR 37 CO 0.00 0.00 0.00 1.88 -0.64 0.00 0.00 175.07 176.31 3hkz h TYR 38 N 0.00 0.43 0.05 -1.42 0.99 -1.13 -3.25 116.97 112.64 3hkz h TYR 38 Ca -0.24 -0.10 -0.34 0.00 2.00 0.00 0.00 58.73 60.05 3hkz h TYR 38 Cb 1.68 -0.10 -0.04 0.00 1.00 0.00 0.00 36.73 39.27 3hkz h TYR 38 CO 0.00 0.65 -1.92 -0.25 -0.00 0.00 0.00 178.16 176.64 3hkz n ASP 39 N -4.10 1.99 0.07 3.88 8.00 -1.17 -4.35 116.55 120.88 3hkz n ASP 39 Ca -0.01 0.24 0.13 0.00 0.71 0.00 0.00 54.79 55.87 3hkz n ASP 39 Cb 0.42 -0.82 0.62 0.00 -0.02 0.00 0.00 41.12 41.32 3hkz n ASP 39 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3hkz h TYR 40 N -0.45 0.13 -0.12 1.24 3.20 -1.64 0.21 116.97 119.54 3hkz h TYR 40 Ca -0.47 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.37 3hkz h TYR 40 Cb 1.72 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 39.94 3hkz h TYR 40 CO 0.05 0.06 -0.07 -0.07 -1.64 0.00 0.00 178.16 176.50 3hkz h LEU 41 N 0.12 0.27 -5.60 2.82 3.38 -1.79 -2.99 115.31 111.52 3hkz h LEU 41 Ca 0.17 -0.43 -0.50 0.00 0.09 0.00 0.00 57.88 57.21 3hkz h LEU 41 Cb 0.52 -0.07 0.02 0.00 0.09 0.00 0.00 40.66 41.21 3hkz h LEU 41 CO -0.02 0.64 2.81 0.59 0.09 0.00 0.00 178.44 182.55 3hkz n ASN 42 N -4.68 5.08 0.00 -0.43 4.13 0.06 -1.40 115.26 118.02 3hkz n ASN 42 Ca -0.06 -2.47 0.00 0.00 1.68 0.00 0.00 54.58 53.73 3hkz n ASN 42 Cb 0.29 -1.22 0.00 0.00 -1.54 0.00 0.00 39.78 37.31 3hkz n ASN 42 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 3hkz n SER 43 N 4.85 0.00 -2.05 6.41 3.41 -1.14 -4.92 113.62 120.18 3hkz n SER 43 Ca 0.52 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.92 3hkz n SER 43 Cb 0.22 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.20 3hkz n SER 43 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3hkz n VAL 44 N 0.00 2.39 -2.65 -3.33 0.31 -0.49 -5.05 118.33 109.50 3hkz n VAL 44 Ca 0.00 -4.05 -0.43 0.00 -0.01 0.00 0.00 64.34 59.85 3hkz n VAL 44 Cb 0.00 -0.87 -0.02 0.00 -0.91 0.00 0.00 33.84 32.04 3hkz n VAL 44 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3hkz s GLU 45 N -3.60 4.36 0.00 5.55 2.02 -1.19 -4.72 118.70 121.13 3hkz s GLU 45 Ca 0.48 1.42 0.00 0.00 0.02 0.00 0.00 54.97 56.89 3hkz s GLU 45 Cb 0.40 -3.58 0.00 0.00 0.10 0.00 0.00 34.13 31.05 3hkz s GLU 45 CO 0.03 -0.43 0.00 1.63 0.02 0.00 0.00 175.26 176.51 3hkz n LYS 46 N 5.47 2.32 -1.00 1.61 5.02 -1.26 -5.11 118.16 125.21 3hkz n LYS 46 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 3hkz n LYS 46 Cb 0.48 -0.78 0.00 0.00 -0.02 0.00 0.00 35.03 34.70 3hkz n LYS 46 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hkz n ASP 48 N -1.49 0.60 0.20 0.00 3.85 -1.26 -4.84 116.55 113.61 3hkz n ASP 48 Ca 0.00 -0.70 -0.15 0.00 -0.71 0.00 0.00 54.79 53.23 3hkz n ASP 48 Cb 0.00 0.00 -0.08 0.00 -1.35 0.00 0.00 41.12 39.69 3hkz n ASP 48 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3hkz h ALA 49 N 1.00 -1.04 0.00 2.12 0.00 -1.88 0.31 119.26 119.76 3hkz h ALA 49 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3hkz h ALA 49 Cb 0.00 0.72 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3hkz h ALA 49 CO 0.00 -1.09 0.00 1.49 0.00 0.00 0.00 179.25 179.65 3hkz h GLU 50 N -0.78 0.00 0.00 0.00 4.81 -1.99 -1.31 114.58 115.31 3hkz h GLU 50 Ca -0.04 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.12 3hkz h GLU 50 Cb 0.71 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 3hkz h GLU 50 CO -0.12 0.00 -1.03 -1.13 -0.73 0.00 0.00 179.01 176.00 3hkz n SER 51 N -2.38 1.89 0.20 1.04 3.41 -1.13 -4.05 113.62 112.60 3hkz n SER 51 Ca -0.00 0.44 0.06 0.00 -0.26 0.00 0.00 58.87 59.10 3hkz n SER 51 Cb 0.12 -0.81 0.44 0.00 -0.26 0.00 0.00 64.21 63.70 3hkz n SER 51 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hkz h ALA 52 N -0.97 1.23 0.04 7.33 0.00 -0.27 0.04 119.26 126.66 3hkz h ALA 52 Ca -0.10 -0.29 -0.25 0.00 0.00 0.00 0.00 54.91 54.27 3hkz h ALA 52 Cb 0.93 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.68 3hkz h ALA 52 CO -0.06 0.39 -1.05 1.96 0.00 0.00 0.00 179.25 180.49 3hkz h GLN 53 N 0.00 0.50 0.00 0.00 4.20 -1.41 -3.13 115.11 115.28 3hkz h GLN 53 Ca -0.00 -0.59 -0.04 0.00 0.06 0.00 0.00 58.65 58.08 3hkz h GLN 53 Cb 0.66 0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.62 3hkz h GLN 53 CO 0.04 1.22 -0.17 0.87 -0.67 0.00 0.00 178.83 180.12 3hkz h LYS 54 N 0.26 0.00 0.06 1.46 1.57 -1.54 -1.25 116.57 117.13 3hkz h LYS 54 Ca -0.12 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 3hkz h LYS 54 Cb 1.71 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.02 3hkz h LYS 54 CO 0.19 0.17 -0.05 0.28 -0.57 0.00 0.00 179.45 179.47 3hkz h VAL 55 N 0.00 0.00 -0.18 0.50 2.07 -0.95 0.48 116.25 118.17 3hkz h VAL 55 Ca -0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 3hkz h VAL 55 Cb 0.34 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 3hkz h VAL 55 CO 0.02 0.00 0.14 0.40 0.02 0.00 0.00 177.57 178.15 3hkz h ILE 56 N -0.10 0.85 0.00 4.57 2.04 -1.59 0.20 117.51 123.48 3hkz h ILE 56 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 3hkz h ILE 56 Cb 0.08 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 3hkz h ILE 56 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 178.15 177.53 3hkz n GLU 57 N -4.40 0.00 0.00 2.37 1.02 -0.47 -2.01 120.64 117.14 3hkz n GLU 57 Ca 0.01 0.27 0.00 0.00 -0.02 0.00 0.00 57.16 57.42 3hkz n GLU 57 Cb 0.27 -1.15 0.00 0.00 -0.02 0.00 0.00 31.44 30.54 3hkz n GLU 57 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3hkz n GLU 58 N -1.11 0.62 -0.06 3.49 1.02 0.17 -0.97 120.64 123.80 3hkz n GLU 58 Ca 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.09 3hkz n GLU 58 Cb 0.00 -1.25 -0.10 0.00 -0.02 0.00 0.00 31.44 30.07 3hkz n GLU 58 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3hkz n LEU 59 N 0.05 0.00 0.00 -4.62 0.00 0.62 -4.51 117.00 108.54 3hkz n LEU 59 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 56.01 56.02 3hkz n LEU 59 Cb 0.12 0.29 0.05 0.00 0.00 0.00 0.00 43.42 43.88 3hkz n LEU 59 CO 0.00 0.29 0.20 -1.54 0.00 0.00 0.00 177.39 176.34 3hkz n SER 60 N -2.44 0.00 0.16 1.96 3.41 -0.14 -2.58 113.62 113.99 3hkz n SER 60 Ca -0.19 -0.48 -0.14 0.00 -0.26 0.00 0.00 58.87 57.79 3hkz n SER 60 Cb 0.87 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.75 3hkz n SER 60 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3hkz h ASN 61 N 0.00 -0.28 -0.91 4.04 -0.26 -1.79 -2.64 115.58 113.74 3hkz h ASN 61 Ca 0.00 -0.02 0.25 0.00 -0.56 0.00 0.00 56.30 55.97 3hkz h ASN 61 Cb 0.00 0.07 -0.14 0.00 -1.06 0.00 0.00 38.32 37.20 3hkz h ASN 61 CO 0.00 -0.17 0.38 0.40 -1.06 0.00 0.00 177.43 176.99 3hkz h ILE 62 N -0.36 0.39 -5.55 2.81 1.08 -1.86 -3.47 117.51 110.55 3hkz h ILE 62 Ca -0.03 -0.11 -0.14 0.00 -0.39 0.00 0.00 64.86 64.18 3hkz h ILE 62 Cb 0.28 0.03 0.07 0.00 -3.07 0.00 0.00 36.82 34.13 3hkz h ILE 62 CO 0.05 0.06 -0.40 0.52 -0.69 0.00 0.00 178.15 177.69 3hkz n VAL 63 N -5.10 -9.14 0.00 1.67 0.31 -1.00 -5.07 118.33 100.00 3hkz n VAL 63 Ca 0.24 -0.62 0.00 0.00 -0.01 0.00 0.00 64.34 63.94 3hkz n VAL 63 Cb 0.73 -6.37 0.00 0.00 -0.91 0.00 0.00 33.84 27.29 3hkz n VAL 63 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3hkz n SER 64 N -2.34 0.00 -3.87 4.52 3.41 -1.26 -5.13 113.62 108.95 3hkz n SER 64 Ca -0.05 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.45 3hkz n SER 64 Cb 0.56 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.41 3hkz n SER 64 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3hkz s ARG 65 N 1.22 0.54 0.14 4.33 1.81 -1.26 -5.09 118.95 120.65 3hkz s ARG 65 Ca 0.00 -0.47 -0.02 0.00 -1.72 0.00 0.00 55.73 53.52 3hkz s ARG 65 Cb 0.00 0.22 -0.06 0.00 -0.45 0.00 0.00 34.95 34.67 3hkz s ARG 65 CO 0.00 -0.14 1.33 1.49 -0.68 0.00 0.00 175.30 177.31 3hkz h GLU 66 N 4.04 0.34 0.32 3.54 4.81 -1.99 -3.24 114.58 122.39 3hkz h GLU 66 Ca -0.31 -0.36 -0.02 0.00 -0.13 0.00 0.00 59.36 58.54 3hkz h GLU 66 Cb 1.19 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.68 3hkz h GLU 66 CO 0.43 1.05 -0.15 0.38 -0.73 0.00 0.00 179.01 179.98 3hkz h ASP 67 N 0.19 -0.36 0.42 1.04 2.03 -1.98 -2.49 116.42 115.26 3hkz h ASP 67 Ca -0.07 -0.18 0.00 0.00 -0.73 0.00 0.00 57.03 56.05 3hkz h ASP 67 Cb 1.54 0.09 0.00 0.00 -0.83 0.00 0.00 39.33 40.13 3hkz h ASP 67 CO 0.15 0.06 0.00 0.58 -1.03 0.00 0.00 179.24 179.00 3hkz h VAL 68 N -0.86 0.00 0.04 4.15 2.07 -1.98 -2.02 116.25 117.65 3hkz h VAL 68 Ca -0.04 -0.18 -0.22 0.00 0.82 0.00 0.00 66.70 67.08 3hkz h VAL 68 Cb 0.52 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 3hkz h VAL 68 CO 0.07 0.00 -1.00 0.03 0.02 0.00 0.00 177.57 176.69 3hkz h ARG 69 N 0.00 0.21 -0.08 1.57 3.08 -1.55 -3.31 114.38 114.30 3hkz h ARG 69 Ca 0.00 -0.27 -0.06 0.00 0.07 0.00 0.00 59.98 59.72 3hkz h ARG 69 Cb 0.21 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 3hkz h ARG 69 CO 0.00 1.05 -0.24 0.00 -1.07 0.00 0.00 179.97 179.71 3hkz h ALA 70 N 0.85 1.45 0.00 0.04 0.00 -0.90 -1.96 119.26 118.74 3hkz h ALA 70 Ca -0.07 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 3hkz h ALA 70 Cb 1.68 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.40 3hkz h ALA 70 CO 0.16 0.39 -0.02 0.82 0.00 0.00 0.00 179.25 180.60 3hkz h ILE 71 N 0.13 0.60 0.00 0.00 2.04 -1.64 -3.05 117.51 115.58 3hkz h ILE 71 Ca 0.02 -0.08 -0.07 0.00 1.00 0.00 0.00 64.86 65.73 3hkz h ILE 71 Cb 0.50 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 3hkz h ILE 71 CO 0.03 0.02 -1.14 -0.07 0.00 0.00 0.00 178.15 176.99 3hkz h LEU 72 N 0.00 0.00 -3.79 1.44 3.38 -1.50 -2.11 115.31 112.73 3hkz h LEU 72 Ca -0.00 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.46 3hkz h LEU 72 Cb 0.05 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 40.54 3hkz h LEU 72 CO 0.00 0.24 0.66 0.00 0.09 0.00 0.00 178.44 179.43 3hkz n ALA 73 N -2.27 5.58 0.00 1.53 0.00 -1.15 -3.06 120.51 121.14 3hkz n ALA 73 Ca -0.04 -2.74 0.00 0.00 0.00 0.00 0.00 53.44 50.66 3hkz n ALA 73 Cb 0.67 -1.52 0.00 0.00 0.00 0.00 0.00 19.45 18.60 3hkz n ALA 73 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hkz n SER 74 N -0.78 0.00 0.08 0.00 3.41 -1.25 -4.46 113.62 110.62 3hkz n SER 74 Ca 0.53 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.92 3hkz n SER 74 Cb 1.12 0.31 -0.15 0.00 -0.26 0.00 0.00 64.21 65.23 3hkz n SER 74 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 3hkz h ILE 75 N 0.00 1.35 -5.76 -1.33 1.08 -1.57 -3.44 117.51 107.84 3hkz h ILE 75 Ca 0.00 -2.58 -0.15 0.00 -0.39 0.00 0.00 64.86 61.74 3hkz h ILE 75 Cb 0.00 3.07 0.01 0.00 -3.07 0.00 0.00 36.82 36.83 3hkz h ILE 75 CO 0.00 0.76 -0.74 0.00 -0.69 0.00 0.00 178.15 177.48 3hkz n PRO 77 N -0.37 -3.58 0.00 0.00 -0.04 -1.26 -5.05 135.00 124.70 3hkz n PRO 77 Ca 0.03 -1.64 0.00 0.00 -0.04 0.00 0.00 63.50 61.86 3hkz n PRO 77 Cb 0.54 -1.67 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 3hkz n PRO 77 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 3hkz n THR 78 N -5.08 0.00 -3.58 0.52 -1.04 -1.26 -5.07 114.28 98.78 3hkz n THR 78 Ca 0.14 -0.19 -0.14 0.00 -2.04 0.00 0.00 64.05 61.83 3hkz n THR 78 Cb 0.58 1.08 -0.05 0.00 -1.82 0.00 0.00 70.33 70.12 3hkz n THR 78 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3hkz s THR 79 N -0.33 0.03 -1.88 12.58 2.01 -1.26 -5.04 115.64 121.76 3hkz s THR 79 Ca 0.00 -0.25 0.00 0.00 0.31 0.00 0.00 61.69 61.75 3hkz s THR 79 Cb 0.00 -0.98 0.00 0.00 0.01 0.00 0.00 72.50 71.53 3hkz s THR 79 CO 0.00 -0.14 0.44 -1.54 -0.69 0.00 0.00 174.62 172.69 3hkz n SER 80 N 0.39 0.06 -0.01 3.53 3.41 -1.26 -0.24 113.62 119.50 3hkz n SER 80 Ca -0.18 -0.93 -0.19 0.00 -0.26 0.00 0.00 58.87 57.31 3hkz n SER 80 Cb 0.60 -0.03 -0.14 0.00 -0.26 0.00 0.00 64.21 64.39 3hkz n SER 80 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3hkz n ASP 81 N -0.41 1.87 0.10 4.04 8.00 -1.26 -2.58 116.55 126.31 3hkz n ASP 81 Ca 0.00 0.23 0.12 0.00 0.71 0.00 0.00 54.79 55.85 3hkz n ASP 81 Cb 0.01 -0.68 0.46 0.00 -0.02 0.00 0.00 41.12 40.89 3hkz n ASP 81 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3hkz n GLU 82 N -3.38 0.18 -0.02 -1.24 1.02 0.66 -2.01 120.64 115.85 3hkz n GLU 82 Ca -0.30 0.32 -0.15 0.00 -0.02 0.00 0.00 57.16 57.01 3hkz n GLU 82 Cb 1.05 -1.78 -0.14 0.00 -0.02 0.00 0.00 31.44 30.54 3hkz n GLU 82 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3hkz n VAL 83 N -2.11 1.69 -0.19 2.62 0.31 -1.00 -4.58 118.33 115.07 3hkz n VAL 83 Ca 0.03 -0.72 -0.01 0.00 -0.01 0.00 0.00 64.34 63.64 3hkz n VAL 83 Cb 0.28 -1.38 0.07 0.00 -0.91 0.00 0.00 33.84 31.90 3hkz n VAL 83 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 3hkz h ARG 84 N 0.04 0.05 0.00 5.55 0.11 -1.13 -3.16 114.38 115.83 3hkz h ARG 84 Ca -0.38 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.70 3hkz h ARG 84 Cb 2.03 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 33.10 3hkz h ARG 84 CO 0.08 0.03 0.55 0.66 0.10 0.00 0.00 179.97 181.39 3hkz h SER 85 N 0.05 0.00 -0.33 0.08 4.64 -1.80 -1.18 113.55 115.00 3hkz h SER 85 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 3hkz h SER 85 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 3hkz h SER 85 CO -0.54 0.00 0.00 -0.38 -0.87 0.00 0.00 176.83 175.04 3hkz n ILE 86 N -2.62 0.89 -1.78 0.95 5.41 -1.19 -4.73 119.36 116.28 3hkz n ILE 86 Ca -0.01 -0.94 -0.36 0.00 1.00 0.00 0.00 62.75 62.44 3hkz n ILE 86 Cb 0.58 0.58 -0.05 0.00 -0.71 0.00 0.00 39.64 40.04 3hkz n ILE 86 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 3hkz n LEU 87 N 0.59 3.77 -4.72 1.39 0.00 -0.45 -4.93 117.00 112.65 3hkz n LEU 87 Ca 0.12 -3.19 -0.42 0.00 0.00 0.00 0.00 56.01 52.52 3hkz n LEU 87 Cb 0.42 -1.52 -0.03 0.00 0.00 0.00 0.00 43.42 42.29 3hkz n LEU 87 CO 0.08 -1.00 1.07 -0.69 0.00 0.00 0.00 177.39 176.85 3hkz s VAL 88 N 7.94 3.14 0.00 1.96 1.01 -1.26 -5.17 120.40 128.02 3hkz s VAL 88 Ca 0.62 0.85 0.00 0.00 0.00 0.00 0.00 61.98 63.46 3hkz s VAL 88 Cb 0.06 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.89 3hkz s VAL 88 CO 0.12 0.09 0.00 0.23 0.00 0.00 0.00 175.10 175.53