#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 1.19 0.68 3.17 0.41 -1.09 -4.92 118.70 118.14 3hkz s GLU 2 Ca 0.00 -1.71 -0.17 0.00 -0.41 0.00 0.00 54.97 52.68 3hkz s GLU 2 Cb 0.00 -2.49 0.01 0.00 -1.78 0.00 0.00 34.13 29.87 3hkz s GLU 2 CO 0.00 -1.05 1.22 -0.89 -0.49 0.00 0.00 175.26 174.04 3hkz n ILE 3 N 4.10 4.12 -3.29 -1.63 -0.00 -1.26 -3.17 119.36 118.23 3hkz n ILE 3 Ca 0.04 -0.43 -0.05 0.00 -0.00 0.00 0.00 62.75 62.30 3hkz n ILE 3 Cb 0.38 -1.37 -0.06 0.00 -0.00 0.00 0.00 39.64 38.60 3hkz n ILE 3 CO 0.00 0.00 0.00 -0.60 -0.00 0.00 0.00 176.55 175.95 3hkz s ARG 4 N -3.45 0.42 -0.14 0.38 3.52 0.33 -4.95 118.95 115.07 3hkz s ARG 4 Ca 0.80 0.56 -0.29 0.00 -0.13 0.00 0.00 55.73 56.66 3hkz s ARG 4 Cb -0.36 -0.18 -0.06 0.00 -1.56 0.00 0.00 34.95 32.79 3hkz s ARG 4 CO 0.44 -0.74 1.98 -1.50 -0.81 0.00 0.00 175.30 174.66 3hkz s ILE 5 N 2.63 3.19 0.00 4.11 2.07 -1.26 -2.20 121.20 129.74 3hkz s ILE 5 Ca 0.14 0.21 0.00 0.00 -1.41 0.00 0.00 60.65 59.59 3hkz s ILE 5 Cb -0.14 -3.20 0.00 0.00 0.13 0.00 0.00 42.46 39.25 3hkz s ILE 5 CO -0.20 -0.08 0.00 0.18 -1.91 0.00 0.00 174.94 172.92 3hkz n LEU 6 N 9.47 0.00 -4.70 8.50 4.77 -0.55 -4.96 117.00 129.53 3hkz n LEU 6 Ca 0.24 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.79 3hkz n LEU 6 Cb 0.44 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.50 3hkz n LEU 6 CO 0.66 0.00 1.12 -0.75 -1.33 0.00 0.00 177.39 177.09 3hkz s LYS 7 N 1.02 4.29 0.00 3.23 2.20 -1.26 -4.90 119.74 124.32 3hkz s LYS 7 Ca 0.00 2.07 0.03 0.00 -0.36 0.00 0.00 55.97 57.71 3hkz s LYS 7 Cb 0.00 -3.40 -0.01 0.00 -1.51 0.00 0.00 37.83 32.91 3hkz s LYS 7 CO 0.00 -0.52 -0.10 0.45 -0.36 0.00 0.00 175.35 174.82 3hkz s SER 8 N 1.54 1.15 -0.30 1.43 0.15 -1.26 -2.06 113.70 114.35 3hkz s SER 8 Ca 0.65 -0.23 0.01 0.00 0.70 0.00 0.00 55.95 57.08 3hkz s SER 8 Cb -0.35 -0.11 0.19 0.00 -1.71 0.00 0.00 66.02 64.04 3hkz s SER 8 CO 0.29 0.08 0.62 -0.70 1.20 0.00 0.00 173.24 174.73 3hkz s GLU 9 N -0.42 0.55 0.00 5.44 2.56 -1.20 -5.06 118.70 120.57 3hkz s GLU 9 Ca 0.02 0.84 0.00 0.00 0.00 0.00 0.00 54.97 55.84 3hkz s GLU 9 Cb -0.05 0.45 0.00 0.00 2.00 0.00 0.00 34.13 36.53 3hkz s GLU 9 CO -0.00 -0.73 0.00 0.45 -0.56 0.00 0.00 175.26 174.42 3hkz n SER 10 N 5.42 0.00 -1.42 -1.70 2.88 -1.26 -2.40 113.62 115.15 3hkz n SER 10 Ca 0.01 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.62 3hkz n SER 10 Cb 0.52 0.00 0.31 0.00 -0.75 0.00 0.00 64.21 64.29 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 0.43 4.19 -3.71 -3.46 4.13 -1.26 -4.58 115.26 111.00 3hkz n ASN 11 Ca 0.00 -2.42 -0.14 0.00 1.68 0.00 0.00 54.58 53.69 3hkz n ASN 11 Cb 0.00 -0.55 -0.08 0.00 -1.54 0.00 0.00 39.78 37.61 3hkz n ASN 11 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 3hkz s TYR 12 N -1.88 -0.30 -0.14 3.10 5.04 -1.01 -0.37 117.35 121.79 3hkz s TYR 12 Ca 0.43 0.51 -0.07 0.00 -2.44 0.00 0.00 57.07 55.50 3hkz s TYR 12 Cb 0.29 0.17 0.06 0.00 0.35 0.00 0.00 41.96 42.82 3hkz s TYR 12 CO 0.20 -0.43 0.32 -1.17 -1.34 0.00 0.00 175.55 173.13 3hkz s LEU 13 N -1.20 0.06 -0.38 6.97 2.96 0.11 -3.21 118.68 124.00 3hkz s LEU 13 Ca -0.12 0.70 -0.05 0.00 -0.22 0.00 0.00 54.13 54.44 3hkz s LEU 13 Cb -0.04 1.00 0.08 0.00 0.50 0.00 0.00 46.19 47.73 3hkz s LEU 13 CO 0.05 -0.19 0.17 -0.70 -1.32 0.00 0.00 176.35 174.36 3hkz s GLU 14 N 1.55 2.34 -0.44 1.98 2.56 -0.87 -0.98 118.70 124.85 3hkz s GLU 14 Ca -0.08 -1.52 0.04 0.00 0.00 0.00 0.00 54.97 53.41 3hkz s GLU 14 Cb -0.10 -3.55 0.12 0.00 2.00 0.00 0.00 34.13 32.60 3hkz s GLU 14 CO -0.10 -0.90 0.17 -1.17 -0.56 0.00 0.00 175.26 172.69 3hkz s LEU 15 N 1.28 4.56 -0.16 2.70 2.96 0.40 -1.49 118.68 128.94 3hkz s LEU 15 Ca 0.03 -2.60 -0.29 0.00 -0.22 0.00 0.00 54.13 51.04 3hkz s LEU 15 Cb -0.22 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.80 3hkz s LEU 15 CO -0.01 -0.31 1.51 -0.70 -1.32 0.00 0.00 176.35 175.52 3hkz s GLU 16 N 0.29 4.05 -0.16 1.98 2.12 -0.93 -2.81 118.70 123.23 3hkz s GLU 16 Ca 0.14 1.80 -0.06 0.00 0.36 0.00 0.00 54.97 57.21 3hkz s GLU 16 Cb -0.23 -3.94 -0.04 0.00 0.26 0.00 0.00 34.13 30.19 3hkz s GLU 16 CO -0.04 -0.98 0.02 0.42 -0.54 0.00 0.00 175.26 174.15 3hkz s ILE 17 N 4.31 4.46 -0.20 -3.70 -1.09 0.74 -0.51 121.20 125.21 3hkz s ILE 17 Ca 0.66 -0.16 -0.09 0.00 -2.23 0.00 0.00 60.65 58.83 3hkz s ILE 17 Cb -0.26 -2.98 -0.05 0.00 -1.58 0.00 0.00 42.46 37.59 3hkz s ILE 17 CO 0.25 0.49 0.12 -0.70 -1.23 0.00 0.00 174.94 173.86 3hkz s GLU 18 N 0.21 4.11 0.00 2.79 2.12 -1.19 -0.48 118.70 126.26 3hkz s GLU 18 Ca 0.02 -0.26 0.00 0.00 0.36 0.00 0.00 54.97 55.08 3hkz s GLU 18 Cb -0.13 -3.38 0.00 0.00 0.26 0.00 0.00 34.13 30.88 3hkz s GLU 18 CO 0.01 0.25 0.00 0.41 -0.54 0.00 0.00 175.26 175.40 3hkz n GLY 19 N 3.65 0.71 3.21 -1.50 0.00 0.54 -2.68 105.19 109.11 3hkz n GLY 19 Ca -0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.35 1.43 0.00 1.61 0.41 -1.25 -4.88 118.70 115.66 3hkz s GLU 20 Ca 0.00 -0.80 0.00 0.00 -0.41 0.00 0.00 54.97 53.76 3hkz s GLU 20 Cb 0.00 -1.45 0.00 0.00 -1.78 0.00 0.00 34.13 30.90 3hkz s GLU 20 CO 0.00 0.38 0.00 -0.40 -0.49 0.00 0.00 175.26 174.75 3hkz n ASP 21 N 2.22 0.36 0.33 -0.19 5.68 -1.26 -3.72 116.55 119.98 3hkz n ASP 21 Ca -0.16 0.00 0.22 0.00 -0.50 0.00 0.00 54.79 54.35 3hkz n ASP 21 Cb 0.53 0.00 1.17 0.00 -1.14 0.00 0.00 41.12 41.68 3hkz n ASP 21 CO 0.00 0.00 0.00 0.45 -1.33 0.00 0.00 177.20 176.32 3hkz h HIS 22 N 0.00 0.00 0.30 2.11 3.86 -1.97 -2.20 115.15 117.24 3hkz h HIS 22 Ca 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 3hkz h HIS 22 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 3hkz h HIS 22 CO 0.00 0.00 -0.14 1.15 0.86 0.00 0.00 177.93 179.80 3hkz h THR 23 N 0.00 0.61 -0.02 2.45 2.02 -2.00 -2.84 112.91 113.13 3hkz h THR 23 Ca -0.00 -0.77 -0.07 0.00 0.77 0.00 0.00 66.41 66.34 3hkz h THR 23 Cb 0.03 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 3hkz h THR 23 CO 0.00 0.13 -0.26 0.25 0.37 0.00 0.00 175.52 176.01 3hkz h LEU 24 N -0.88 0.26 -1.48 2.58 7.12 -1.87 -3.14 115.31 117.89 3hkz h LEU 24 Ca -0.04 -0.73 -0.05 0.00 0.13 0.00 0.00 57.88 57.18 3hkz h LEU 24 Cb 0.52 -0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 40.56 3hkz h LEU 24 CO 0.07 0.95 -0.26 1.23 -0.13 0.00 0.00 178.44 180.30 3hkz h GLY 25 N -0.42 0.00 0.74 3.75 0.00 -1.54 0.13 103.07 105.73 3hkz h GLY 25 Ca -0.03 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.14 3hkz h GLY 25 CO 0.05 0.00 -0.68 -0.57 0.00 0.00 0.00 176.54 175.34 3hkz h ASN 26 N 0.00 0.50 -0.66 0.19 -1.24 -1.60 -2.78 115.58 109.99 3hkz h ASN 26 Ca -0.00 -0.84 -0.07 0.00 0.71 0.00 0.00 56.30 56.09 3hkz h ASN 26 Cb 0.53 -0.16 -0.03 0.00 0.73 0.00 0.00 38.32 39.40 3hkz h ASN 26 CO 0.03 1.29 0.13 0.25 -1.29 0.00 0.00 177.43 177.84 3hkz h LEU 27 N -0.22 1.04 0.00 0.34 5.85 -1.46 0.74 115.31 121.60 3hkz h LEU 27 Ca -0.10 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.38 3hkz h LEU 27 Cb 1.44 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.20 3hkz h LEU 27 CO 0.13 1.02 0.00 -0.38 -0.34 0.00 0.00 178.44 178.87 3hkz n ILE 28 N -4.22 0.00 0.22 4.05 2.08 0.01 -1.53 119.36 119.97 3hkz n ILE 28 Ca 0.05 1.35 0.07 0.00 0.56 0.00 0.00 62.75 64.77 3hkz n ILE 28 Cb 0.28 -2.30 0.58 0.00 -0.75 0.00 0.00 39.64 37.45 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 -1.94 1.90 0.00 -1.39 0.00 -1.53 0.28 119.26 116.58 3hkz h ALA 29 Ca 0.00 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 3hkz h ALA 29 Cb 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3hkz h ALA 29 CO 0.00 0.08 -0.57 0.78 0.00 0.00 0.00 179.25 179.54 3hkz h GLY 30 N 0.18 0.00 2.00 0.00 0.00 -0.89 -2.18 103.07 102.18 3hkz h GLY 30 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.22 3hkz h GLY 30 CO 0.00 0.00 -0.62 -0.84 0.00 0.00 0.00 176.54 175.08 3hkz h THR 31 N 0.00 1.10 0.00 4.70 2.02 -0.14 -3.35 112.91 117.24 3hkz h THR 31 Ca -0.01 -2.47 0.00 0.00 0.77 0.00 0.00 66.41 64.70 3hkz h THR 31 Cb 1.11 2.49 0.00 0.00 -1.74 0.00 0.00 68.15 70.01 3hkz h THR 31 CO 0.07 0.61 0.00 -0.07 0.37 0.00 0.00 175.52 176.50 3hkz h LEU 32 N 0.00 0.00 -0.02 2.58 3.38 -0.36 -3.21 115.31 117.68 3hkz h LEU 32 Ca -0.01 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.70 3hkz h LEU 32 Cb 1.44 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.20 3hkz h LEU 32 CO 0.08 0.00 -1.07 0.03 0.09 0.00 0.00 178.44 177.57 3hkz h ARG 33 N 0.00 0.59 -2.25 1.13 3.08 -1.61 -3.34 114.38 111.97 3hkz h ARG 33 Ca 0.00 -0.67 -0.73 0.00 0.07 0.00 0.00 59.98 58.64 3hkz h ARG 33 Cb 0.61 0.20 -0.22 0.00 0.08 0.00 0.00 29.97 30.64 3hkz h ARG 33 CO 0.00 1.27 1.29 0.54 -1.07 0.00 0.00 179.97 182.01 3hkz n ARG 34 N -3.79 4.17 -3.84 0.04 1.74 -1.21 -4.71 116.66 109.05 3hkz n ARG 34 Ca -0.10 -3.74 -0.30 0.00 -0.77 0.00 0.00 57.85 52.94 3hkz n ARG 34 Cb 0.90 -2.42 -0.16 0.00 -1.02 0.00 0.00 32.46 29.77 3hkz n ARG 34 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3hkz s ILE 35 N -3.35 1.16 0.00 0.55 -1.09 -1.26 -5.01 121.20 112.21 3hkz s ILE 35 Ca 0.49 -1.21 0.00 0.00 -2.23 0.00 0.00 60.65 57.70 3hkz s ILE 35 Cb 0.27 -1.65 0.00 0.00 -1.58 0.00 0.00 42.46 39.50 3hkz s ILE 35 CO -0.20 -0.34 0.00 -1.54 -1.23 0.00 0.00 174.94 171.63 3hkz n SER 36 N 4.78 0.00 -1.25 3.58 3.41 -1.26 -2.37 113.62 120.51 3hkz n SER 36 Ca -0.07 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.51 3hkz n SER 36 Cb 0.44 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.40 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 0.00 0.45 3.43 5.00 0.00 -1.26 -4.85 105.19 107.96 3hkz n GLY 37 Ca 0.00 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 3hkz n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hkz s VAL 38 N -3.05 4.97 0.51 1.61 1.01 -1.00 -3.59 120.40 120.86 3hkz s VAL 38 Ca 0.03 -0.69 0.16 0.00 0.00 0.00 0.00 61.98 61.48 3hkz s VAL 38 Cb -0.01 -3.74 0.26 0.00 0.00 0.00 0.00 36.38 32.89 3hkz s VAL 38 CO 0.11 -0.24 2.13 0.28 0.00 0.00 0.00 175.10 177.38 3hkz h SER 39 N 8.53 0.00 -3.45 3.32 0.02 -1.37 -3.43 113.55 117.17 3hkz h SER 39 Ca -0.27 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.64 3hkz h SER 39 Cb 1.12 -0.00 -0.22 0.00 0.14 0.00 0.00 62.40 63.43 3hkz h SER 39 CO 0.69 0.03 -0.03 0.12 -1.14 0.00 0.00 176.83 176.50 3hkz s PHE 40 N -5.01 -0.83 -0.30 3.45 5.36 -0.60 -5.00 117.98 115.06 3hkz s PHE 40 Ca -0.05 1.81 -0.07 0.00 -0.96 0.00 0.00 56.93 57.65 3hkz s PHE 40 Cb 0.17 0.40 0.15 0.00 -0.34 0.00 0.00 43.02 43.40 3hkz s PHE 40 CO 0.67 -0.41 0.64 0.00 -1.46 0.00 0.00 175.22 174.66 3hkz s ALA 41 N 1.04 -2.10 0.20 11.12 0.00 -1.26 0.19 121.76 130.94 3hkz s ALA 41 Ca -0.06 2.21 -0.05 0.00 0.00 0.00 0.00 51.96 54.06 3hkz s ALA 41 Cb -0.05 -1.89 0.02 0.00 0.00 0.00 0.00 23.12 21.20 3hkz s ALA 41 CO -0.10 -1.04 0.35 -1.13 0.00 0.00 0.00 175.76 173.84 3hkz n SER 42 N 5.44 -1.01 -4.01 0.00 3.41 -1.11 -4.71 113.62 111.63 3hkz n SER 42 Ca -0.09 -1.91 -0.10 0.00 -0.26 0.00 0.00 58.87 56.52 3hkz n SER 42 Cb 0.50 1.74 -0.08 0.00 -0.26 0.00 0.00 64.21 66.11 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 -4.82 0.53 0.15 7.33 -0.85 -1.26 -1.80 117.35 116.63 3hkz s TYR 43 Ca 0.11 -0.88 -0.01 0.00 -0.52 0.00 0.00 57.07 55.77 3hkz s TYR 43 Cb -0.02 -0.15 0.01 0.00 0.38 0.00 0.00 41.96 42.18 3hkz s TYR 43 CO 0.08 -0.70 0.22 2.48 -1.52 0.00 0.00 175.55 176.12 3hkz n TYR 44 N -0.21 -0.96 -4.40 -3.49 -0.00 -1.14 -5.03 117.16 101.94 3hkz n TYR 44 Ca -0.06 -0.96 -0.30 0.00 -0.00 0.00 0.00 57.90 56.58 3hkz n TYR 44 Cb 0.63 0.25 -0.12 0.00 -0.00 0.00 0.00 39.34 40.11 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 -2.30 1.84 0.00 -3.48 1.03 -1.26 -2.51 119.66 112.98 3hkz s GLN 45 Ca 0.11 -1.14 0.00 0.00 0.04 0.00 0.00 55.36 54.38 3hkz s GLN 45 Cb -0.01 -2.12 0.00 0.00 0.03 0.00 0.00 33.01 30.91 3hkz s GLN 45 CO 0.08 0.49 0.00 -2.30 -2.54 0.00 0.00 175.29 171.03 3hkz n PRO 46 N 0.99 0.00 -3.65 9.60 -0.02 -1.25 -4.91 135.00 135.77 3hkz n PRO 46 Ca -0.16 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.27 3hkz n PRO 46 Cb 0.53 -0.02 -0.06 0.00 -0.02 0.00 0.00 33.50 33.92 3hkz n PRO 46 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3hkz s HIS 47 N 0.00 -1.14 0.00 6.00 -3.43 -1.26 -5.07 115.29 110.39 3hkz s HIS 47 Ca 0.00 2.16 0.00 0.00 -0.80 0.00 0.00 55.06 56.42 3hkz s HIS 47 Cb 0.00 0.68 0.00 0.00 -1.43 0.00 0.00 32.58 31.83 3hkz s HIS 47 CO 0.00 -0.57 0.00 -2.30 -2.00 0.00 0.00 174.74 169.87 3hkz n PRO 48 N 4.73 0.00 -1.69 -0.38 -0.02 -1.26 -2.55 135.00 133.84 3hkz n PRO 48 Ca -0.17 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 60.97 3hkz n PRO 48 Cb 0.55 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.97 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 -1.57 3.28 0.00 2.45 7.99 -1.26 -4.46 117.00 123.42 3hkz n LEU 49 Ca 0.00 -3.00 0.00 0.00 -0.01 0.00 0.00 56.01 53.00 3hkz n LEU 49 Cb 0.00 -1.48 0.00 0.00 -0.11 0.00 0.00 43.42 41.83 3hkz n LEU 49 CO 0.00 -1.41 0.00 -1.54 -1.51 0.00 0.00 177.39 172.93 3hkz n SER 50 N 12.07 0.00 -4.26 -1.43 3.41 -1.06 -5.06 113.62 117.29 3hkz n SER 50 Ca 0.46 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.65 3hkz n SER 50 Cb 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 3hkz n SER 50 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3hkz n ASP 51 N 0.00 4.59 -3.66 4.04 -0.08 -1.26 -4.64 116.55 115.54 3hkz n ASP 51 Ca 0.00 -2.90 -0.14 0.00 -1.51 0.00 0.00 54.79 50.24 3hkz n ASP 51 Cb 0.00 -1.70 -0.07 0.00 2.34 0.00 0.00 41.12 41.69 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 3.61 0.87 0.30 -0.67 1.02 -1.26 -0.34 119.74 123.27 3hkz s LYS 52 Ca 0.51 -0.14 0.03 0.00 0.02 0.00 0.00 55.97 56.38 3hkz s LYS 52 Cb 0.07 0.40 -0.04 0.00 -0.52 0.00 0.00 37.83 37.74 3hkz s LYS 52 CO 0.01 -0.28 0.13 0.96 -0.92 0.00 0.00 175.35 175.26 3hkz s ILE 53 N -1.75 0.50 -0.04 2.17 -4.36 0.36 -3.78 121.20 114.30 3hkz s ILE 53 Ca -0.10 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.28 3hkz s ILE 53 Cb -0.02 -2.55 0.03 0.00 1.25 0.00 0.00 42.46 41.16 3hkz s ILE 53 CO 0.03 0.00 0.03 -0.63 0.24 0.00 0.00 174.94 174.62 3hkz s ILE 54 N -3.58 0.04 -0.15 8.37 1.01 -1.04 -0.18 121.20 125.66 3hkz s ILE 54 Ca 0.35 0.29 -0.04 0.00 0.00 0.00 0.00 60.65 61.24 3hkz s ILE 54 Cb 0.06 -0.24 -0.03 0.00 0.01 0.00 0.00 42.46 42.26 3hkz s ILE 54 CO 0.16 0.18 -0.01 0.68 0.00 0.00 0.00 174.94 175.95 3hkz s VAL 55 N 1.80 4.16 -0.20 2.92 -7.23 -1.12 -2.89 120.40 117.83 3hkz s VAL 55 Ca 0.01 -0.26 -0.09 0.00 -1.81 0.00 0.00 61.98 59.83 3hkz s VAL 55 Cb -0.12 -2.83 -0.04 0.00 0.56 0.00 0.00 36.38 33.94 3hkz s VAL 55 CO -0.03 0.50 0.10 -0.54 -0.31 0.00 0.00 175.10 174.82 3hkz s LYS 56 N 0.22 4.03 -0.04 4.82 1.02 -0.74 -0.45 119.74 128.59 3hkz s LYS 56 Ca -0.00 -0.31 0.02 0.00 0.02 0.00 0.00 55.97 55.69 3hkz s LYS 56 Cb -0.13 -3.34 0.02 0.00 -0.52 0.00 0.00 37.83 33.85 3hkz s LYS 56 CO 0.02 0.20 -0.07 0.42 -0.92 0.00 0.00 175.35 175.01 3hkz s ILE 57 N 0.59 0.68 -0.07 2.17 1.01 -0.15 -2.76 121.20 122.67 3hkz s ILE 57 Ca 0.05 -0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.49 3hkz s ILE 57 Cb -0.12 -0.66 0.02 0.00 0.01 0.00 0.00 42.46 41.71 3hkz s ILE 57 CO 0.01 0.24 -0.09 -0.22 0.00 0.00 0.00 174.94 174.89 3hkz s LEU 58 N 0.69 1.42 0.45 2.97 2.96 0.13 0.09 118.68 127.39 3hkz s LEU 58 Ca -0.10 -0.24 0.06 0.00 -0.22 0.00 0.00 54.13 53.63 3hkz s LEU 58 Cb -0.13 -0.71 -0.03 0.00 0.50 0.00 0.00 46.19 45.82 3hkz s LEU 58 CO 0.01 -0.03 0.20 0.28 -1.32 0.00 0.00 176.35 175.49 3hkz s THR 59 N 1.00 2.06 -0.68 3.68 -1.32 0.50 -1.06 115.64 119.83 3hkz s THR 59 Ca -0.09 -1.69 0.04 0.00 -1.21 0.00 0.00 61.69 58.74 3hkz s THR 59 Cb -0.15 -2.76 0.33 0.00 -1.51 0.00 0.00 72.50 68.42 3hkz s THR 59 CO -0.00 0.00 1.12 -0.90 -2.21 0.00 0.00 174.62 172.63 3hkz n ASP 60 N -1.34 5.07 0.00 8.08 3.85 -1.24 -4.67 116.55 126.30 3hkz n ASP 60 Ca -0.03 -3.68 0.00 0.00 -0.71 0.00 0.00 54.79 50.37 3hkz n ASP 60 Cb 0.65 -0.70 0.00 0.00 -1.35 0.00 0.00 41.12 39.72 3hkz n ASP 60 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hkz n GLY 61 N -0.15 1.11 0.00 6.12 0.00 -1.26 -4.70 105.19 106.31 3hkz n GLY 61 Ca 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.35 3hkz n GLY 61 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3hkz n SER 62 N 2.47 0.00 -4.08 1.61 7.64 -1.26 -3.32 113.62 116.68 3hkz n SER 62 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.58 3hkz n SER 62 Cb 0.00 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.03 3hkz n SER 62 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3hkz s ILE 63 N -2.13 1.64 0.38 0.44 -1.09 -1.26 -5.11 121.20 114.07 3hkz s ILE 63 Ca 0.00 -0.73 -0.28 0.00 -2.23 0.00 0.00 60.65 57.42 3hkz s ILE 63 Cb 0.00 -1.49 -0.11 0.00 -1.58 0.00 0.00 42.46 39.28 3hkz s ILE 63 CO 0.00 0.47 1.48 0.35 -1.23 0.00 0.00 174.94 176.00 3hkz n THR 64 N 4.19 2.03 -0.33 2.92 -2.24 -1.21 -4.67 114.28 114.97 3hkz n THR 64 Ca -0.19 -0.50 0.33 0.00 -2.27 0.00 0.00 64.05 61.42 3hkz n THR 64 Cb 0.51 -1.95 0.71 0.00 -2.10 0.00 0.00 70.33 67.50 3hkz n THR 64 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3hkz h PRO 65 N 2.90 0.07 -0.78 -0.78 0.13 -1.87 -0.00 132.00 131.67 3hkz h PRO 65 Ca -0.51 -0.00 0.18 0.00 -0.87 0.00 0.00 66.00 64.80 3hkz h PRO 65 Cb 1.25 -0.02 -0.13 0.00 0.13 0.00 0.00 31.00 32.23 3hkz h PRO 65 CO 0.64 0.04 0.06 0.87 -0.23 0.00 0.00 178.00 179.38 3hkz h LYS 66 N 0.07 0.13 0.00 0.86 1.57 -1.93 0.14 116.57 117.41 3hkz h LYS 66 Ca 0.58 -0.01 -0.28 0.00 -1.87 0.00 0.00 60.65 59.07 3hkz h LYS 66 Cb 2.15 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 34.38 3hkz h LYS 66 CO -0.07 0.08 -2.13 -0.25 -0.57 0.00 0.00 179.45 176.52 3hkz n ASP 67 N -5.31 0.21 0.26 0.86 8.00 -0.17 -3.35 116.55 117.04 3hkz n ASP 67 Ca 0.15 0.09 0.10 0.00 0.71 0.00 0.00 54.79 55.85 3hkz n ASP 67 Cb 0.51 0.94 0.70 0.00 -0.02 0.00 0.00 41.12 43.25 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 1.22 1.61 0.12 2.24 0.00 -0.62 1.77 119.26 125.59 3hkz h ALA 68 Ca -0.38 -0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.26 3hkz h ALA 68 Cb 1.93 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.72 3hkz h ALA 68 CO 0.03 0.10 -0.95 1.25 0.00 0.00 0.00 179.25 179.69 3hkz h LEU 69 N 0.00 0.38 -1.53 0.00 6.46 -0.90 -3.07 115.31 116.64 3hkz h LEU 69 Ca -0.00 -0.91 0.10 0.00 -0.12 0.00 0.00 57.88 56.95 3hkz h LEU 69 Cb 0.17 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 39.93 3hkz h LEU 69 CO 0.01 1.43 0.45 -0.07 -0.62 0.00 0.00 178.44 179.64 3hkz h LEU 70 N -0.43 0.47 0.54 2.25 4.07 -0.90 3.12 115.31 124.44 3hkz h LEU 70 Ca -0.19 0.01 -0.03 0.00 0.08 0.00 0.00 57.88 57.76 3hkz h LEU 70 Cb 1.61 -0.09 0.01 0.00 1.08 0.00 0.00 40.66 43.27 3hkz h LEU 70 CO 0.09 0.28 -0.26 0.50 -1.08 0.00 0.00 178.44 177.98 3hkz h LYS 71 N 0.52 -0.70 -0.38 1.13 1.63 0.24 -1.60 116.57 117.41 3hkz h LYS 71 Ca 0.31 0.05 0.11 0.00 -0.85 0.00 0.00 60.65 60.27 3hkz h LYS 71 Cb 0.52 0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 32.29 3hkz h LYS 71 CO -0.10 -0.47 0.32 0.00 -3.45 0.00 0.00 179.45 175.75 3hkz h ALA 72 N -1.63 2.22 -0.12 5.00 0.00 -0.49 0.90 119.26 125.14 3hkz h ALA 72 Ca -0.07 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.83 3hkz h ALA 72 Cb 0.56 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3hkz h ALA 72 CO 0.12 -0.51 0.06 0.82 0.00 0.00 0.00 179.25 179.74 3hkz h ILE 73 N 0.00 1.00 -0.12 0.00 1.08 0.55 -3.06 117.51 116.97 3hkz h ILE 73 Ca 0.18 -0.05 -0.09 0.00 -0.39 0.00 0.00 64.86 64.52 3hkz h ILE 73 Cb 0.81 0.86 0.00 0.00 -3.07 0.00 0.00 36.82 35.42 3hkz h ILE 73 CO -0.00 0.02 -0.27 -0.08 -0.69 0.00 0.00 178.15 177.14 3hkz h GLU 74 N 0.13 0.40 -1.20 2.37 4.22 0.17 -3.08 114.58 117.59 3hkz h GLU 74 Ca 0.05 -0.26 0.40 0.00 0.08 0.00 0.00 59.36 59.63 3hkz h GLU 74 Cb 0.00 0.04 -0.14 0.00 0.50 0.00 0.00 28.75 29.15 3hkz h GLU 74 CO -0.03 0.87 0.74 -0.91 -2.18 0.00 0.00 179.01 177.50 3hkz h ASN 75 N -0.02 0.32 0.02 1.04 4.21 -0.59 -0.75 115.58 119.80 3hkz h ASN 75 Ca 0.00 0.16 -0.00 0.00 1.21 0.00 0.00 56.30 57.67 3hkz h ASN 75 Cb 0.86 0.15 0.00 0.00 -1.12 0.00 0.00 38.32 38.21 3hkz h ASN 75 CO 0.06 -0.20 -0.01 0.40 -1.29 0.00 0.00 177.43 176.38 3hkz h ILE 76 N 0.13 1.25 -0.59 2.81 2.04 -1.44 -1.79 117.51 119.92 3hkz h ILE 76 Ca 0.80 -0.85 0.08 0.00 1.00 0.00 0.00 64.86 65.89 3hkz h ILE 76 Cb 2.31 1.82 -0.09 0.00 -0.74 0.00 0.00 36.82 40.12 3hkz h ILE 76 CO -0.51 0.22 -0.28 -1.14 0.00 0.00 0.00 178.15 176.44 3hkz n ARG 77 N -4.93 -0.19 -0.14 2.37 0.63 -0.29 -0.24 116.66 113.87 3hkz n ARG 77 Ca -0.08 0.90 -0.10 0.00 -0.92 0.00 0.00 57.85 57.65 3hkz n ARG 77 Cb 0.20 -1.33 -0.01 0.00 0.45 0.00 0.00 32.46 31.77 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 0.76 -0.14 5.14 0.00 -1.46 -0.08 103.07 107.29 3hkz h GLY 78 Ca 0.16 -0.53 0.02 0.00 0.00 0.00 0.00 47.33 46.98 3hkz h GLY 78 CO -0.57 0.49 -0.36 1.98 0.00 0.00 0.00 176.54 178.07 3hkz h MET 79 N 0.54 -0.34 -0.32 4.80 -1.53 0.28 -3.18 114.93 115.18 3hkz h MET 79 Ca 0.12 0.02 -0.09 0.00 -3.44 0.00 0.00 59.70 56.31 3hkz h MET 79 Cb 0.43 0.08 -0.02 0.00 -0.55 0.00 0.00 31.60 31.54 3hkz h MET 79 CO 0.01 -0.23 -0.19 1.15 0.14 0.00 0.00 176.91 177.80 3hkz h THR 80 N -0.36 1.26 0.58 -0.77 2.02 -0.80 -3.25 112.91 111.58 3hkz h THR 80 Ca 0.03 -1.21 -0.03 0.00 0.77 0.00 0.00 66.41 65.97 3hkz h THR 80 Cb 0.44 1.22 0.01 0.00 -1.74 0.00 0.00 68.15 68.07 3hkz h THR 80 CO -0.32 0.39 -0.28 0.28 0.37 0.00 0.00 175.52 175.97 3hkz h SER 81 N 0.53 -0.66 -0.11 4.18 0.02 -0.99 -1.97 113.55 114.56 3hkz h SER 81 Ca 0.08 0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 60.96 3hkz h SER 81 Cb 0.63 0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.32 3hkz h SER 81 CO 0.04 -0.46 -0.21 0.45 -1.14 0.00 0.00 176.83 175.51 3hkz h HIS 82 N -0.79 0.58 -0.52 3.45 3.86 -1.68 0.94 115.15 120.99 3hkz h HIS 82 Ca -0.08 -0.11 0.05 0.00 -1.16 0.00 0.00 60.37 59.07 3hkz h HIS 82 Cb 0.60 -0.15 -0.08 0.00 1.06 0.00 0.00 27.41 28.85 3hkz h HIS 82 CO -0.03 0.70 -0.47 -0.92 0.86 0.00 0.00 177.93 178.07 3hkz h TYR 83 N 0.47 -1.47 -0.12 2.45 3.20 -1.55 1.60 116.97 121.55 3hkz h TYR 83 Ca 0.07 0.08 0.01 0.00 3.14 0.00 0.00 58.73 62.04 3hkz h TYR 83 Cb 0.63 0.71 -0.01 0.00 1.54 0.00 0.00 36.73 39.59 3hkz h TYR 83 CO 0.02 -0.37 0.05 0.82 -1.64 0.00 0.00 178.16 177.04 3hkz h ILE 84 N -0.21 0.98 0.00 1.81 2.04 -0.60 0.91 117.51 122.44 3hkz h ILE 84 Ca 0.09 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.91 3hkz h ILE 84 Cb 0.43 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 3hkz h ILE 84 CO -0.60 0.02 0.00 0.47 0.00 0.00 0.00 178.15 178.04 3hkz n ASP 85 N -5.05 0.00 -0.02 1.72 8.00 0.26 0.97 116.55 122.42 3hkz n ASP 85 Ca -0.04 -0.64 0.03 0.00 0.71 0.00 0.00 54.79 54.84 3hkz n ASP 85 Cb 0.05 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.06 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 -0.97 0.84 0.15 -1.24 1.02 0.54 -3.77 120.64 117.21 3hkz n GLU 86 Ca 0.14 -0.08 -0.10 0.00 -0.02 0.00 0.00 57.16 57.09 3hkz n GLU 86 Cb 0.06 -1.29 -0.06 0.00 -0.02 0.00 0.00 31.44 30.13 3hkz n GLU 86 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3hkz h ILE 87 N 0.00 0.38 0.00 -3.67 1.08 0.28 0.16 117.51 115.74 3hkz h ILE 87 Ca -0.08 -0.75 0.00 0.00 -0.39 0.00 0.00 64.86 63.64 3hkz h ILE 87 Cb 0.86 0.61 0.00 0.00 -3.07 0.00 0.00 36.82 35.21 3hkz h ILE 87 CO 0.00 0.09 0.26 0.11 -0.69 0.00 0.00 178.15 177.92 3hkz h LYS 88 N -1.01 0.00 0.00 2.37 1.57 0.35 -3.20 116.57 116.66 3hkz h LYS 88 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3hkz h LYS 88 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3hkz h LYS 88 CO 0.08 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.37 3hkz n GLY 89 N -1.25 0.93 2.03 3.86 0.00 -0.83 -4.46 105.19 105.46 3hkz n GLY 89 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 3hkz n GLY 89 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hkz n LEU 90 N -0.38 5.61 0.00 0.99 4.32 0.51 -3.69 117.00 124.36 3hkz n LEU 90 Ca 0.00 -3.28 0.00 0.00 -0.02 0.00 0.00 56.01 52.71 3hkz n LEU 90 Cb 0.00 -1.32 0.00 0.00 -1.62 0.00 0.00 43.42 40.48 3hkz n LEU 90 CO 0.00 1.58 -0.08 0.35 -1.22 0.00 0.00 177.39 178.02 3hkz n THR 91 N 1.87 0.00 0.00 -5.08 -2.24 -1.25 -5.04 114.28 102.54 3hkz n THR 91 Ca 0.38 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.16 3hkz n THR 91 Cb 0.76 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 3hkz n THR 91 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79