#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 0.00 0.00 3.17 3.41 -1.26 -4.88 113.62 114.06 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 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 0.00 0.00 0.00 4.04 3.41 -1.26 -4.69 113.62 115.12 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 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 -3.86 -3.33 0.31 -1.26 -5.16 118.33 105.02 3hkz n VAL 4 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.07 3hkz n VAL 4 Cb 0.00 0.00 -0.17 0.00 -0.91 0.00 0.00 33.84 32.76 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 -0.88 1.22 -0.56 3.52 5.04 -1.26 -5.09 117.35 119.34 3hkz s TYR 5 Ca 0.00 -0.56 -0.27 0.00 -2.44 0.00 0.00 57.07 53.79 3hkz s TYR 5 Cb 0.00 -1.09 0.03 0.00 0.35 0.00 0.00 41.96 41.25 3hkz s TYR 5 CO 0.00 -0.46 1.13 0.42 -1.34 0.00 0.00 175.55 175.31 3hkz s ILE 6 N 1.79 4.12 0.00 3.14 1.09 -1.26 -5.00 121.20 125.08 3hkz s ILE 6 Ca 0.05 0.83 0.00 0.00 -1.10 0.00 0.00 60.65 60.43 3hkz s ILE 6 Cb -0.13 -4.67 0.00 0.00 -1.06 0.00 0.00 42.46 36.60 3hkz s ILE 6 CO -0.07 -1.25 0.00 0.52 -0.10 0.00 0.00 174.94 174.04 3hkz n VAL 7 N 6.60 0.00 -3.26 2.92 0.31 -1.26 -4.96 118.33 118.69 3hkz n VAL 7 Ca 0.08 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.21 3hkz n VAL 7 Cb 0.49 -0.41 0.00 0.00 -0.91 0.00 0.00 33.84 33.01 3hkz n VAL 7 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3hkz s GLU 8 N 0.00 3.06 -0.21 5.55 2.12 -1.26 -5.12 118.70 122.84 3hkz s GLU 8 Ca 0.00 -0.85 -0.04 0.00 0.36 0.00 0.00 54.97 54.44 3hkz s GLU 8 Cb 0.00 -2.72 0.11 0.00 0.26 0.00 0.00 34.13 31.78 3hkz s GLU 8 CO 0.00 -0.09 0.35 -2.00 -0.54 0.00 0.00 175.26 172.98 3hkz s GLU 9 N -4.33 0.30 -0.05 4.30 -6.30 -1.26 -5.15 118.70 106.21 3hkz s GLU 9 Ca 0.47 0.64 0.06 0.00 -2.50 0.00 0.00 54.97 53.64 3hkz s GLU 9 Cb -0.10 -0.33 -0.01 0.00 0.00 0.00 0.00 34.13 33.69 3hkz s GLU 9 CO 0.34 -0.51 -0.25 -1.01 0.02 0.00 0.00 175.26 173.85 3hkz s HIS 10 N 2.52 2.43 0.01 5.30 3.76 -1.26 -5.13 115.29 122.92 3hkz s HIS 10 Ca 0.07 -0.63 -0.18 0.00 -0.15 0.00 0.00 55.06 54.17 3hkz s HIS 10 Cb -0.14 -1.58 -0.06 0.00 1.11 0.00 0.00 32.58 31.91 3hkz s HIS 10 CO -0.14 -0.16 0.50 0.71 -0.85 0.00 0.00 174.74 174.80 3hkz s TYR 11 N -0.28 3.72 0.07 1.40 1.51 -1.26 -5.11 117.35 117.39 3hkz s TYR 11 Ca -0.00 1.10 0.06 0.00 -1.01 0.00 0.00 57.07 57.22 3hkz s TYR 11 Cb -0.13 -2.45 -0.03 0.00 -0.11 0.00 0.00 41.96 39.25 3hkz s TYR 11 CO 0.03 0.51 -0.15 0.96 -1.11 0.00 0.00 175.55 175.78 3hkz s ILE 12 N -0.70 1.22 0.83 2.71 -4.36 -1.26 -4.98 121.20 114.65 3hkz s ILE 12 Ca 0.27 -1.25 -0.09 0.00 -0.26 0.00 0.00 60.65 59.32 3hkz s ILE 12 Cb -0.18 -1.13 0.15 0.00 1.25 0.00 0.00 42.46 42.55 3hkz s ILE 12 CO 0.15 -0.12 1.15 -2.16 0.24 0.00 0.00 174.94 174.20 3hkz s PRO 13 N -1.57 1.32 0.02 0.37 0.04 -1.26 -4.93 135.00 128.99 3hkz s PRO 13 Ca 0.01 -0.62 -0.25 0.00 0.04 0.00 0.00 61.00 60.18 3hkz s PRO 13 Cb -0.09 -2.08 -0.18 0.00 0.04 0.00 0.00 34.50 32.19 3hkz s PRO 13 CO 0.02 -1.84 1.42 1.88 0.04 0.00 0.00 177.00 178.52 3hkz h TYR 14 N -1.05 0.04 0.00 0.56 -1.99 -1.85 -2.92 116.97 109.76 3hkz h TYR 14 Ca -0.42 -0.01 -0.03 0.00 2.00 0.00 0.00 58.73 60.28 3hkz h TYR 14 Cb 1.26 -0.01 -0.00 0.00 2.00 0.00 0.00 36.73 39.98 3hkz h TYR 14 CO -0.51 0.36 -0.12 0.66 -0.00 0.00 0.00 178.16 178.56 3hkz h SER 15 N -0.30 0.00 -0.22 3.88 4.64 -1.86 -0.86 113.55 118.84 3hkz h SER 15 Ca 0.00 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.14 3hkz h SER 15 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3hkz h SER 15 CO 0.00 0.12 -0.58 0.58 -0.87 0.00 0.00 176.83 176.08 3hkz h VAL 16 N 0.00 1.28 0.00 0.95 2.07 -1.66 -3.21 116.25 115.69 3hkz h VAL 16 Ca -0.00 -1.77 0.00 0.00 0.82 0.00 0.00 66.70 65.74 3hkz h VAL 16 Cb 0.45 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 3hkz h VAL 16 CO 0.02 0.57 0.00 0.00 0.02 0.00 0.00 177.57 178.18 3hkz n ALA 17 N -2.57 2.09 -0.12 1.67 0.00 -0.34 -2.78 120.51 118.47 3hkz n ALA 17 Ca -0.05 -0.10 -0.25 0.00 0.00 0.00 0.00 53.44 53.05 3hkz n ALA 17 Cb 0.64 -1.31 -0.11 0.00 0.00 0.00 0.00 19.45 18.67 3hkz n ALA 17 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3hkz n LYS 18 N -1.18 0.58 0.00 0.00 5.02 -1.15 -3.92 118.16 117.50 3hkz n LYS 18 Ca 0.11 0.46 0.05 0.00 -2.02 0.00 0.00 58.31 56.91 3hkz n LYS 18 Cb 0.12 -1.66 0.29 0.00 -0.02 0.00 0.00 35.03 33.76 3hkz n LYS 18 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3hkz n LYS 19 N -4.35 0.54 -0.06 1.97 4.76 -1.12 0.34 118.16 120.25 3hkz n LYS 19 Ca -0.40 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 54.99 3hkz n LYS 19 Cb 0.76 -1.28 -0.10 0.00 -1.84 0.00 0.00 35.03 32.57 3hkz n LYS 19 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3hkz n LEU 20 N -0.78 0.00 -0.06 -0.35 4.77 -1.16 -4.48 117.00 114.93 3hkz n LEU 20 Ca 0.07 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.04 3hkz n LEU 20 Cb 0.03 0.28 -0.16 0.00 -2.33 0.00 0.00 43.42 41.24 3hkz n LEU 20 CO 0.05 0.28 -0.98 0.18 -1.33 0.00 0.00 177.39 175.59 3hkz n LEU 21 N -2.41 0.02 -0.11 2.23 4.77 0.77 -3.17 117.00 119.09 3hkz n LEU 21 Ca -0.19 0.01 0.08 0.00 -0.03 0.00 0.00 56.01 55.88 3hkz n LEU 21 Cb 0.85 0.29 0.42 0.00 -2.33 0.00 0.00 43.42 42.65 3hkz n LEU 21 CO 0.27 0.29 1.19 0.74 -1.33 0.00 0.00 177.39 178.55 3hkz h THR 22 N 0.00 1.00 -0.66 -5.08 2.02 0.56 0.42 112.91 111.17 3hkz h THR 22 Ca -0.32 -0.20 0.05 0.00 0.77 0.00 0.00 66.41 66.70 3hkz h THR 22 Cb 1.74 0.35 -0.05 0.00 -1.74 0.00 0.00 68.15 68.45 3hkz h THR 22 CO 0.02 0.11 0.37 0.44 0.37 0.00 0.00 175.52 176.83 3hkz h ASP 23 N 0.59 0.57 -0.39 4.18 5.19 -1.72 -3.11 116.42 121.73 3hkz h ASP 23 Ca 0.26 0.02 -0.10 0.00 -0.62 0.00 0.00 57.03 56.60 3hkz h ASP 23 Cb 0.28 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 39.68 3hkz h ASP 23 CO -0.08 0.38 -0.10 0.58 -3.12 0.00 0.00 179.24 176.90 3hkz h VAL 24 N 0.70 1.26 0.00 -1.35 2.07 -0.21 -0.82 116.25 117.91 3hkz h VAL 24 Ca 0.29 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.63 3hkz h VAL 24 Cb 0.14 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 3hkz h VAL 24 CO -0.16 0.41 0.00 -0.38 0.02 0.00 0.00 177.57 177.46 3hkz n ILE 25 N -4.16 0.96 -0.01 4.57 5.41 -0.18 -1.80 119.36 124.16 3hkz n ILE 25 Ca 0.02 -0.05 -0.01 0.00 1.00 0.00 0.00 62.75 63.70 3hkz n ILE 25 Cb 0.37 -0.99 -0.01 0.00 -0.71 0.00 0.00 39.64 38.30 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 0.70 1.16 0.13 0.38 1.74 -0.32 -4.68 116.66 115.77 3hkz n ARG 26 Ca 0.00 0.01 0.04 0.00 -0.77 0.00 0.00 57.85 57.13 3hkz n ARG 26 Cb 0.43 -1.03 0.03 0.00 -1.02 0.00 0.00 32.46 30.87 3hkz n ARG 26 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3hkz h SER 27 N 0.00 0.00 0.00 0.55 4.64 -1.49 -3.49 113.55 113.76 3hkz h SER 27 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3hkz h SER 27 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3hkz h SER 27 CO -0.00 0.41 0.00 0.61 -0.87 0.00 0.00 176.83 176.97 3hkz n GLY 28 N 1.23 3.34 1.43 -0.77 0.00 -0.74 -5.15 105.19 104.53 3hkz n GLY 28 Ca 0.00 -0.20 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.78 -3.01 0.00 -0.02 0.00 -1.26 -4.33 105.19 95.78 3hkz n GLY 29 Ca 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.63 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 -3.93 0.00 -3.70 1.61 3.41 -1.26 -5.05 113.62 104.69 3hkz n SER 30 Ca 0.06 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.69 3hkz n SER 30 Cb 0.25 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.21 3hkz n SER 30 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3hkz s SER 31 N 1.11 -0.01 0.00 4.04 1.04 -1.26 -5.01 113.70 113.60 3hkz s SER 31 Ca 0.00 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.17 3hkz s SER 31 Cb 0.00 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.33 3hkz s SER 31 CO 0.00 -0.41 0.00 0.59 0.98 0.00 0.00 173.24 174.40 3hkz n ASN 32 N -0.95 0.00 -2.04 7.02 3.02 -1.26 0.98 115.26 122.03 3hkz n ASN 32 Ca -0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.48 3hkz n ASN 32 Cb 0.60 0.00 0.31 0.00 -0.61 0.00 0.00 39.78 40.08 3hkz n ASN 32 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3hkz n LEU 33 N -0.23 6.18 -0.05 3.41 4.77 -1.26 -1.72 117.00 128.10 3hkz n LEU 33 Ca 0.00 -3.22 -0.05 0.00 -0.03 0.00 0.00 56.01 52.71 3hkz n LEU 33 Cb 0.00 -0.75 -0.08 0.00 -2.33 0.00 0.00 43.42 40.26 3hkz n LEU 33 CO 0.00 0.81 -0.84 -0.11 -1.33 0.00 0.00 177.39 175.92 3hkz n LEU 34 N -0.12 0.37 -0.16 2.23 0.00 0.27 -4.57 117.00 115.01 3hkz n LEU 34 Ca 0.41 -0.01 -0.00 0.00 0.00 0.00 0.00 56.01 56.41 3hkz n LEU 34 Cb 1.41 0.16 0.25 0.00 0.00 0.00 0.00 43.42 45.24 3hkz n LEU 34 CO 0.45 0.31 1.15 1.56 0.00 0.00 0.00 177.39 180.85 3hkz h GLN 35 N 0.00 0.89 0.01 1.96 1.08 0.81 -2.79 115.11 117.06 3hkz h GLN 35 Ca -0.28 -0.09 -0.21 0.00 -1.45 0.00 0.00 58.65 56.62 3hkz h GLN 35 Cb 1.60 -0.18 -0.00 0.00 -0.05 0.00 0.00 27.48 28.85 3hkz h GLN 35 CO 0.01 0.65 -0.92 0.00 -0.95 0.00 0.00 178.83 177.62 3hkz h ARG 36 N 0.90 0.31 0.00 1.46 3.08 -1.58 -3.18 114.38 115.37 3hkz h ARG 36 Ca 0.23 -0.34 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 3hkz h ARG 36 Cb 0.02 0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 3hkz h ARG 36 CO -0.04 1.04 -0.14 1.15 -1.07 0.00 0.00 179.97 180.91 3hkz h THR 37 N 0.17 0.63 -0.64 2.04 2.02 -1.77 -1.12 112.91 114.23 3hkz h THR 37 Ca -0.06 -0.59 -0.04 0.00 0.77 0.00 0.00 66.41 66.48 3hkz h THR 37 Cb 1.55 1.38 -0.03 0.00 -1.74 0.00 0.00 68.15 69.31 3hkz h THR 37 CO 0.15 0.13 0.23 1.88 0.37 0.00 0.00 175.52 178.29 3hkz h TYR 38 N 0.00 0.99 0.00 3.16 0.99 -1.47 -3.34 116.97 117.30 3hkz h TYR 38 Ca -0.00 -0.09 -0.32 0.00 2.00 0.00 0.00 58.73 60.32 3hkz h TYR 38 Cb 0.36 -0.29 -0.06 0.00 1.00 0.00 0.00 36.73 37.74 3hkz h TYR 38 CO 0.00 0.79 -2.30 -0.25 -0.00 0.00 0.00 178.16 176.41 3hkz n ASP 39 N -4.40 0.06 -0.24 3.88 8.00 -1.02 -4.27 116.55 118.56 3hkz n ASP 39 Ca 0.04 0.03 0.02 0.00 0.71 0.00 0.00 54.79 55.58 3hkz n ASP 39 Cb 0.19 1.04 0.14 0.00 -0.02 0.00 0.00 41.12 42.46 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 0.00 0.56 -0.48 1.24 3.20 -1.34 -1.84 116.97 118.31 3hkz h TYR 40 Ca -0.47 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.41 3hkz h TYR 40 Cb 2.10 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 40.20 3hkz h TYR 40 CO 0.00 0.18 0.22 -0.07 -1.64 0.00 0.00 178.16 176.84 3hkz h LEU 41 N 0.53 0.65 -6.08 2.82 3.38 -1.77 -3.30 115.31 111.54 3hkz h LEU 41 Ca 0.35 -0.15 -0.44 0.00 0.09 0.00 0.00 57.88 57.73 3hkz h LEU 41 Cb 0.40 -0.17 0.04 0.00 0.09 0.00 0.00 40.66 41.03 3hkz h LEU 41 CO -0.29 0.61 2.10 0.59 0.09 0.00 0.00 178.44 181.54 3hkz n ASN 42 N -4.60 2.82 0.00 -0.43 4.13 -0.69 -1.85 115.26 114.64 3hkz n ASN 42 Ca 0.01 -2.42 0.00 0.00 1.68 0.00 0.00 54.58 53.86 3hkz n ASN 42 Cb 0.13 -0.94 0.00 0.00 -1.54 0.00 0.00 39.78 37.44 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 6.07 0.00 -3.96 6.41 3.41 -1.24 -4.92 113.62 119.38 3hkz n SER 43 Ca 0.40 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.58 3hkz n SER 43 Cb 0.24 0.26 0.01 0.00 -0.26 0.00 0.00 64.21 64.46 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 -2.04 4.96 -0.18 -3.33 0.31 -0.77 -4.82 118.33 112.46 3hkz n VAL 44 Ca 0.00 -5.36 0.04 0.00 -0.01 0.00 0.00 64.34 59.01 3hkz n VAL 44 Cb 0.00 -2.19 0.25 0.00 -0.91 0.00 0.00 33.84 30.99 3hkz n VAL 44 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3hkz n GLU 45 N 2.31 3.42 0.02 5.55 -0.58 -1.24 -4.77 120.64 125.35 3hkz n GLU 45 Ca 0.31 -1.96 0.22 0.00 -0.42 0.00 0.00 57.16 55.31 3hkz n GLU 45 Cb 0.34 -1.98 0.64 0.00 -0.57 0.00 0.00 31.44 29.87 3hkz n GLU 45 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 3hkz h LYS 46 N 2.47 0.00 0.00 3.49 1.57 -1.88 -3.42 116.57 118.81 3hkz h LYS 46 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hkz h LYS 46 Cb 1.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.74 3hkz h LYS 46 CO 0.31 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.19 3hkz n ASP 48 N -0.15 0.00 0.00 0.00 3.85 -1.26 -4.85 116.55 114.14 3hkz n ASP 48 Ca 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.08 3hkz n ASP 48 Cb 0.00 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.77 3hkz n ASP 48 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3hkz n ALA 49 N -3.00 0.00 -0.97 2.12 0.00 -1.26 -3.94 120.51 113.46 3hkz n ALA 49 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 3hkz n ALA 49 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 3hkz n ALA 49 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3hkz n GLU 50 N 0.00 1.89 0.07 0.00 2.13 -1.26 -1.56 120.64 121.90 3hkz n GLU 50 Ca 0.00 -0.99 0.00 0.00 0.66 0.00 0.00 57.16 56.83 3hkz n GLU 50 Cb 0.00 -1.86 0.00 0.00 0.27 0.00 0.00 31.44 29.85 3hkz n GLU 50 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 3hkz n SER 51 N 2.16 0.46 -0.19 4.31 3.41 -1.26 -3.88 113.62 118.63 3hkz n SER 51 Ca 0.37 0.21 -0.02 0.00 -0.26 0.00 0.00 58.87 59.17 3hkz n SER 51 Cb 0.82 -0.03 0.19 0.00 -0.26 0.00 0.00 64.21 64.92 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 0.00 1.27 -0.43 7.33 0.00 -1.71 -2.11 119.26 123.61 3hkz h ALA 52 Ca 0.00 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 3hkz h ALA 52 Cb 0.16 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3hkz h ALA 52 CO 0.00 0.55 0.02 1.96 0.00 0.00 0.00 179.25 181.78 3hkz h GLN 53 N 0.95 0.75 0.00 0.00 4.20 -1.52 -2.99 115.11 116.50 3hkz h GLN 53 Ca 0.23 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3hkz h GLN 53 Cb 0.14 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.85 3hkz h GLN 53 CO -0.03 0.81 0.00 -0.22 -0.67 0.00 0.00 178.83 178.73 3hkz h LYS 54 N 0.60 0.00 0.04 1.46 3.64 -1.59 -3.33 116.57 117.40 3hkz h LYS 54 Ca 0.13 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3hkz h LYS 54 Cb 0.46 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 3hkz h LYS 54 CO 0.02 0.00 -0.02 0.28 -2.27 0.00 0.00 179.45 177.46 3hkz h VAL 55 N 0.00 0.00 0.00 2.00 2.07 -1.23 -2.55 116.25 116.54 3hkz h VAL 55 Ca 0.00 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 3hkz h VAL 55 Cb 0.08 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.84 3hkz h VAL 55 CO 0.00 0.00 -0.17 0.40 0.02 0.00 0.00 177.57 177.82 3hkz h ILE 56 N -0.06 0.99 -0.29 4.57 5.03 -1.75 -0.60 117.51 125.41 3hkz h ILE 56 Ca -0.01 -0.61 -0.04 0.00 -0.12 0.00 0.00 64.86 64.08 3hkz h ILE 56 Cb 0.04 1.34 -0.01 0.00 -3.03 0.00 0.00 36.82 35.17 3hkz h ILE 56 CO 0.01 0.17 0.02 -0.33 -0.68 0.00 0.00 178.15 177.33 3hkz h GLU 57 N 0.00 0.49 -0.92 2.37 5.08 -1.71 0.22 114.58 120.11 3hkz h GLU 57 Ca -0.00 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3hkz h GLU 57 Cb 0.33 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 3hkz h GLU 57 CO 0.02 0.63 0.00 0.39 -1.00 0.00 0.00 179.01 179.06 3hkz n GLU 58 N -4.61 1.80 0.00 2.33 1.02 -0.78 -3.59 120.64 116.80 3hkz n GLU 58 Ca -0.03 -0.65 0.00 0.00 -0.02 0.00 0.00 57.16 56.46 3hkz n GLU 58 Cb 0.24 -1.65 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 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 0.13 0.00 -0.09 -4.62 0.00 -0.30 -4.75 117.00 107.37 3hkz n LEU 59 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.07 3hkz n LEU 59 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.88 3hkz n LEU 59 CO 0.07 0.00 0.11 -1.54 0.00 0.00 0.00 177.39 176.03 3hkz n SER 60 N -1.34 0.04 -0.14 1.96 3.41 0.66 -1.87 113.62 116.34 3hkz n SER 60 Ca 0.00 -0.47 -0.12 0.00 -0.26 0.00 0.00 58.87 58.02 3hkz n SER 60 Cb 0.09 -0.02 -0.01 0.00 -0.26 0.00 0.00 64.21 64.01 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 0.14 0.92 -0.71 4.04 4.21 -1.85 -3.27 115.58 119.06 3hkz h ASN 61 Ca 0.00 -0.41 0.08 0.00 1.21 0.00 0.00 56.30 57.18 3hkz h ASN 61 Cb 0.02 -0.25 -0.05 0.00 -1.12 0.00 0.00 38.32 36.92 3hkz h ASN 61 CO 0.00 1.12 0.47 0.40 -1.29 0.00 0.00 177.43 178.13 3hkz h ILE 62 N 0.71 0.98 -2.38 2.81 1.08 -1.77 -3.46 117.51 115.48 3hkz h ILE 62 Ca 0.09 -0.23 -0.33 0.00 -0.39 0.00 0.00 64.86 64.00 3hkz h ILE 62 Cb 0.79 0.25 -0.01 0.00 -3.07 0.00 0.00 36.82 34.77 3hkz h ILE 62 CO 0.06 0.12 -0.43 0.52 -0.69 0.00 0.00 178.15 177.74 3hkz n VAL 63 N -4.48 -0.80 0.00 1.67 0.31 -1.24 -5.03 118.33 108.76 3hkz n VAL 63 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 3hkz n VAL 63 Cb 0.27 -2.47 0.00 0.00 -0.91 0.00 0.00 33.84 30.73 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 -1.17 0.00 -4.26 4.52 3.41 -1.26 -5.08 113.62 109.78 3hkz n SER 64 Ca -0.20 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.23 3hkz n SER 64 Cb 0.65 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.49 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 0.00 1.08 0.20 4.33 1.81 -1.26 -5.06 118.95 120.05 3hkz s ARG 65 Ca 0.00 -1.30 -0.07 0.00 -1.72 0.00 0.00 55.73 52.64 3hkz s ARG 65 Cb 0.00 -0.96 0.12 0.00 -0.45 0.00 0.00 34.95 33.66 3hkz s ARG 65 CO 0.00 0.18 1.64 1.49 -0.68 0.00 0.00 175.30 177.93 3hkz h GLU 66 N 3.38 0.96 0.00 3.54 4.81 -2.02 -3.30 114.58 121.96 3hkz h GLU 66 Ca -0.40 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 58.50 3hkz h GLU 66 Cb 1.20 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.51 3hkz h GLU 66 CO 0.52 1.00 0.00 -0.25 -0.73 0.00 0.00 179.01 179.55 3hkz n ASP 67 N -4.15 0.00 0.33 1.04 8.00 -1.26 -4.06 116.55 116.45 3hkz n ASP 67 Ca 0.02 0.68 0.19 0.00 0.71 0.00 0.00 54.79 56.39 3hkz n ASP 67 Cb 0.38 -0.41 1.00 0.00 -0.02 0.00 0.00 41.12 42.07 3hkz n ASP 67 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3hkz h VAL 68 N 0.00 0.03 -0.04 2.53 2.07 -1.98 -0.34 116.25 118.53 3hkz h VAL 68 Ca 0.00 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.40 3hkz h VAL 68 Cb 0.00 0.83 0.01 0.00 -1.52 0.00 0.00 31.29 30.60 3hkz h VAL 68 CO 0.00 0.00 -0.44 0.03 0.02 0.00 0.00 177.57 177.18 3hkz h ARG 69 N 0.00 0.36 -0.81 1.57 3.08 -1.73 -3.36 114.38 113.48 3hkz h ARG 69 Ca 0.01 -0.34 0.19 0.00 0.07 0.00 0.00 59.98 59.91 3hkz h ARG 69 Cb 0.36 0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.44 3hkz h ARG 69 CO -0.00 1.00 0.55 0.00 -1.07 0.00 0.00 179.97 180.46 3hkz h ALA 70 N 0.36 2.35 -0.98 0.04 0.00 -1.19 0.22 119.26 120.06 3hkz h ALA 70 Ca -0.04 -0.00 0.17 0.00 0.00 0.00 0.00 54.91 55.03 3hkz h ALA 70 Cb 1.13 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.82 3hkz h ALA 70 CO 0.09 -0.59 0.61 0.82 0.00 0.00 0.00 179.25 180.18 3hkz h ILE 71 N 0.27 0.77 0.00 0.00 2.04 -1.71 -1.17 117.51 117.71 3hkz h ILE 71 Ca 0.41 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 66.00 3hkz h ILE 71 Cb 1.18 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 3hkz h ILE 71 CO -0.11 0.14 -0.39 0.18 0.00 0.00 0.00 178.15 177.97 3hkz n LEU 72 N -4.68 0.59 -0.56 1.44 4.77 0.74 -2.81 117.00 116.49 3hkz n LEU 72 Ca 0.21 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 3hkz n LEU 72 Cb 0.52 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 3hkz n LEU 72 CO 0.25 -0.03 0.25 0.00 -1.33 0.00 0.00 177.39 176.52 3hkz n ALA 73 N -1.71 2.35 0.13 -1.18 0.00 -0.44 -1.90 120.51 117.76 3hkz n ALA 73 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3hkz n ALA 73 Cb 0.40 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 0.11 -1.29 0.18 0.00 3.41 -1.23 -4.50 113.62 110.31 3hkz n SER 74 Ca 0.00 0.48 0.04 0.00 -0.26 0.00 0.00 58.87 59.14 3hkz n SER 74 Cb 0.25 1.35 0.34 0.00 -0.26 0.00 0.00 64.21 65.89 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 1.02 -6.87 -1.33 2.04 -1.64 -3.42 117.51 107.31 3hkz h ILE 75 Ca 0.00 -1.52 -0.48 0.00 1.00 0.00 0.00 64.86 63.86 3hkz h ILE 75 Cb 0.00 1.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 3hkz h ILE 75 CO 0.00 0.39 -0.88 0.00 0.00 0.00 0.00 178.15 177.66 3hkz n PRO 77 N -3.73 -2.28 0.00 0.00 -0.04 -1.26 -5.06 135.00 122.62 3hkz n PRO 77 Ca -0.15 -0.65 0.00 0.00 -0.04 0.00 0.00 63.50 62.66 3hkz n PRO 77 Cb 0.51 -1.89 0.00 0.00 -0.04 0.00 0.00 33.50 32.08 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 -4.79 0.00 -3.02 0.52 -1.04 -1.26 -5.01 114.28 99.68 3hkz n THR 78 Ca 0.02 0.15 -0.40 0.00 -2.04 0.00 0.00 64.05 61.78 3hkz n THR 78 Cb 0.58 -1.07 -0.05 0.00 -1.82 0.00 0.00 70.33 67.97 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 -0.73 5.01 -1.12 12.58 2.01 -1.26 -4.94 115.64 127.19 3hkz s THR 79 Ca 0.00 1.50 0.00 0.00 0.31 0.00 0.00 61.69 63.50 3hkz s THR 79 Cb 0.00 -4.06 0.00 0.00 0.01 0.00 0.00 72.50 68.45 3hkz s THR 79 CO 0.00 0.26 0.25 -1.54 -0.69 0.00 0.00 174.62 172.90 3hkz n SER 80 N 3.70 0.40 -0.01 3.53 3.41 -1.26 -0.97 113.62 122.42 3hkz n SER 80 Ca -0.01 -0.91 -0.06 0.00 -0.26 0.00 0.00 58.87 57.64 3hkz n SER 80 Cb 0.51 -0.20 -0.12 0.00 -0.26 0.00 0.00 64.21 64.14 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 0.18 0.85 0.06 4.04 8.00 -1.26 -0.52 116.55 127.90 3hkz n ASP 81 Ca 0.00 0.40 0.03 0.00 0.71 0.00 0.00 54.79 55.93 3hkz n ASP 81 Cb 0.10 0.03 0.40 0.00 -0.02 0.00 0.00 41.12 41.63 3hkz n ASP 81 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3hkz h GLU 82 N 0.00 0.39 -0.10 -1.24 5.08 -1.45 -2.15 114.58 115.10 3hkz h GLU 82 Ca -0.25 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 57.93 3hkz h GLU 82 Cb 1.89 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 31.07 3hkz h GLU 82 CO 0.07 0.38 -0.41 0.28 -1.00 0.00 0.00 179.01 178.33 3hkz h VAL 83 N 0.39 1.38 -0.87 3.13 2.07 -1.64 -3.37 116.25 117.34 3hkz h VAL 83 Ca 0.09 -1.74 0.04 0.00 0.82 0.00 0.00 66.70 65.91 3hkz h VAL 83 Cb 0.17 2.18 -0.05 0.00 -1.52 0.00 0.00 31.29 32.07 3hkz h VAL 83 CO -0.00 0.52 0.56 -0.09 0.02 0.00 0.00 177.57 178.57 3hkz h ARG 84 N 0.04 1.03 0.00 1.57 2.43 -0.33 0.05 114.38 119.17 3hkz h ARG 84 Ca -0.02 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3hkz h ARG 84 Cb 1.04 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 3hkz h ARG 84 CO 0.09 0.68 0.00 -1.13 -1.51 0.00 0.00 179.97 178.10 3hkz n SER 85 N -4.56 0.00 -0.47 -3.80 3.41 -0.85 -1.95 113.62 105.40 3hkz n SER 85 Ca 0.11 -1.38 0.06 0.00 -0.26 0.00 0.00 58.87 57.40 3hkz n SER 85 Cb 0.11 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.12 3hkz n SER 85 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3hkz n ILE 86 N -0.52 0.03 -2.31 -1.33 5.41 0.00 -4.88 119.36 115.75 3hkz n ILE 86 Ca 0.01 -0.51 -0.40 0.00 1.00 0.00 0.00 62.75 62.85 3hkz n ILE 86 Cb 0.00 1.22 -0.03 0.00 -0.71 0.00 0.00 39.64 40.13 3hkz n ILE 86 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 3hkz s LEU 87 N -0.97 3.22 0.03 1.39 0.20 -0.82 -4.99 118.68 116.75 3hkz s LEU 87 Ca 0.14 -0.12 -0.26 0.00 0.69 0.00 0.00 54.13 54.58 3hkz s LEU 87 Cb 0.10 -2.55 -0.05 0.00 -0.43 0.00 0.00 46.19 43.26 3hkz s LEU 87 CO 0.15 -2.09 0.82 -0.69 -0.29 0.00 0.00 176.35 174.25 3hkz s VAL 88 N 7.29 4.75 -0.69 1.68 1.01 -1.26 -5.12 120.40 128.06 3hkz s VAL 88 Ca 0.50 1.74 0.00 0.00 0.00 0.00 0.00 61.98 64.22 3hkz s VAL 88 Cb -0.10 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.11 3hkz s VAL 88 CO 0.17 0.31 0.17 0.23 0.00 0.00 0.00 175.10 175.98