#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hnx s ILE 3 N 0.00 4.96 0.67 4.25 1.09 -1.26 -5.04 121.20 125.87 1hnx s ILE 3 Ca 0.00 -0.01 -0.17 0.00 -1.10 0.00 0.00 60.65 59.37 1hnx s ILE 3 Cb 0.00 -4.10 0.00 0.00 -1.06 0.00 0.00 42.46 37.31 1hnx s ILE 3 CO 0.00 -0.46 1.24 0.42 -0.10 0.00 0.00 174.94 176.05 1hnx s THR 4 N 2.48 2.26 0.26 2.92 -4.23 -1.26 -4.74 115.64 113.34 1hnx s THR 4 Ca 0.18 0.15 -0.02 0.00 -1.18 0.00 0.00 61.69 60.82 1hnx s THR 4 Cb -0.15 -2.92 0.25 0.00 1.34 0.00 0.00 72.50 71.02 1hnx s THR 4 CO 0.16 -0.05 1.70 0.11 -0.54 0.00 0.00 174.62 176.00 1hnx h LYS 5 N 0.28 0.34 0.29 3.99 1.57 -1.99 0.44 116.57 121.49 1hnx h LYS 5 Ca -0.50 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.25 1hnx h LYS 5 Cb 1.31 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.54 1hnx h LYS 5 CO 0.52 0.23 -0.25 0.93 -0.57 0.00 0.00 179.45 180.30 1hnx h GLU 6 N 0.35 -0.52 -0.55 3.15 4.39 -1.99 -0.32 114.58 119.10 1hnx h GLU 6 Ca 0.47 0.04 0.13 0.00 0.34 0.00 0.00 59.36 60.33 1hnx h GLU 6 Cb 0.82 0.12 -0.10 0.00 -0.10 0.00 0.00 28.75 29.48 1hnx h GLU 6 CO -0.50 -0.34 -0.08 0.39 -1.16 0.00 0.00 179.01 177.32 1hnx n GLU 7 N -3.90 -0.05 0.00 2.33 -0.58 -0.09 0.08 120.64 118.44 1hnx n GLU 7 Ca -0.06 0.84 0.00 0.00 -0.42 0.00 0.00 57.16 57.52 1hnx n GLU 7 Cb 0.24 -1.29 0.00 0.00 -0.57 0.00 0.00 31.44 29.82 1hnx n GLU 7 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1hnx n LYS 8 N -4.80 0.00 -0.33 3.49 4.81 -0.05 -2.78 118.16 118.50 1hnx n LYS 8 Ca 0.10 0.09 0.26 0.00 -0.87 0.00 0.00 58.31 57.90 1hnx n LYS 8 Cb 0.34 -0.96 0.49 0.00 0.02 0.00 0.00 35.03 34.91 1hnx n LYS 8 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1hnx h GLN 9 N 0.00 0.02 -0.40 1.64 4.20 -0.18 0.59 115.11 120.99 1hnx h GLN 9 Ca 0.00 -0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.78 1hnx h GLN 9 Cb 0.00 -0.01 -0.09 0.00 0.30 0.00 0.00 27.48 27.68 1hnx h GLN 9 CO 0.00 0.02 -0.40 -0.22 -0.67 0.00 0.00 178.83 177.56 1hnx h LYS 10 N 0.02 -0.30 -0.23 1.46 1.63 -0.42 0.38 116.57 119.12 1hnx h LYS 10 Ca 0.76 0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 60.54 1hnx h LYS 10 Cb 1.88 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 33.57 1hnx h LYS 10 CO -0.81 -0.20 -0.05 0.28 -3.45 0.00 0.00 179.45 175.23 1hnx h VAL 11 N -0.31 1.17 0.12 2.00 2.07 0.29 -0.83 116.25 120.77 1hnx h VAL 11 Ca 0.15 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 1hnx h VAL 11 Cb 0.57 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1hnx h VAL 11 CO -0.56 0.23 -0.06 0.40 0.02 0.00 0.00 177.57 177.60 1hnx h ILE 12 N 0.33 0.00 -1.06 4.57 2.04 0.10 -2.34 117.51 121.16 1hnx h ILE 12 Ca 0.07 -0.02 0.29 0.00 1.00 0.00 0.00 64.86 66.20 1hnx h ILE 12 Cb 0.30 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.27 1hnx h ILE 12 CO 0.01 0.00 0.66 1.56 0.00 0.00 0.00 178.15 180.38 1hnx h GLN 13 N -0.19 0.39 -0.29 2.37 4.20 -0.70 0.30 115.11 121.20 1hnx h GLN 13 Ca -0.02 -0.02 0.08 0.00 0.06 0.00 0.00 58.65 58.75 1hnx h GLN 13 Cb 0.13 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 1hnx h GLN 13 CO 0.03 0.26 0.34 1.49 -0.67 0.00 0.00 178.83 180.28 1hnx h GLU 14 N 0.40 0.00 0.00 1.46 4.57 -0.77 -3.20 114.58 117.04 1hnx h GLU 14 Ca 0.65 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.83 1hnx h GLU 14 Cb 1.57 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.16 1hnx h GLU 14 CO -0.39 0.00 -0.92 1.19 -1.18 0.00 0.00 179.01 177.71 1hnx n PHE 15 N -3.67 0.00 -0.60 0.92 3.01 0.78 -5.05 117.46 112.85 1hnx n PHE 15 Ca 0.04 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.28 1hnx n PHE 15 Cb 0.49 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.93 1hnx n PHE 15 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1hnx n ALA 16 N -1.96 -1.78 0.39 4.37 0.00 0.40 -4.69 120.51 117.23 1hnx n ALA 16 Ca 0.00 0.22 0.12 0.00 0.00 0.00 0.00 53.44 53.78 1hnx n ALA 16 Cb 0.46 -0.69 0.50 0.00 0.00 0.00 0.00 19.45 19.71 1hnx n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1hnx n ARG 17 N 0.53 0.19 -3.63 0.00 5.12 -1.26 -4.85 116.66 112.76 1hnx n ARG 17 Ca 0.08 0.43 -0.01 0.00 -1.93 0.00 0.00 57.85 56.42 1hnx n ARG 17 Cb 0.06 -1.88 -0.02 0.00 -1.16 0.00 0.00 32.46 29.47 1hnx n ARG 17 CO 0.00 0.00 0.00 -0.59 -1.93 0.00 0.00 177.63 175.11 1hnx s PHE 18 N -3.33 -0.01 -0.41 -1.55 -0.12 -1.26 -5.04 117.98 106.26 1hnx s PHE 18 Ca 0.04 0.01 -0.43 0.00 -0.05 0.00 0.00 56.93 56.50 1hnx s PHE 18 Cb 0.09 0.50 -0.17 0.00 -0.63 0.00 0.00 43.02 42.81 1hnx s PHE 18 CO 0.38 -0.02 1.84 -2.30 -0.05 0.00 0.00 175.22 175.07 1hnx n PRO 19 N -0.08 0.52 -0.06 1.99 -0.02 -1.26 -0.45 135.00 135.64 1hnx n PRO 19 Ca 0.03 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 1hnx n PRO 19 Cb 0.57 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 1hnx n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hnx n GLY 20 N 5.12 0.45 3.56 -1.23 0.00 -1.26 -5.01 105.19 106.82 1hnx n GLY 20 Ca 0.36 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.09 1hnx n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hnx s ASP 21 N -2.65 4.98 0.21 1.61 3.68 0.40 -4.74 116.67 120.15 1hnx s ASP 21 Ca 0.00 -0.23 0.24 0.00 2.13 0.00 0.00 52.55 54.68 1hnx s ASP 21 Cb 0.00 -2.55 0.26 0.00 -1.45 0.00 0.00 42.92 39.18 1hnx s ASP 21 CO 0.00 -2.80 1.30 0.71 0.13 0.00 0.00 175.17 174.51 1hnx h THR 22 N 7.24 0.00 -0.26 1.71 1.35 -1.95 -3.41 112.91 117.60 1hnx h THR 22 Ca -0.02 -0.75 -0.23 0.00 -0.55 0.00 0.00 66.41 64.86 1hnx h THR 22 Cb 1.06 1.40 -0.25 0.00 -1.73 0.00 0.00 68.15 68.63 1hnx h THR 22 CO 1.18 0.00 -0.64 0.61 -0.25 0.00 0.00 175.52 176.42 1hnx n GLY 23 N 1.24 1.75 3.65 5.82 0.00 -1.26 -4.83 105.19 111.55 1hnx n GLY 23 Ca 0.02 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 45.19 1hnx n GLY 23 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hnx s SER 24 N -2.13 1.51 0.37 1.61 0.01 -1.26 -4.76 113.70 109.06 1hnx s SER 24 Ca 0.19 0.69 0.09 0.00 1.31 0.00 0.00 55.95 58.23 1hnx s SER 24 Cb 0.41 -1.00 0.72 0.00 0.21 0.00 0.00 66.02 66.36 1hnx s SER 24 CO -0.07 -3.76 1.88 0.74 0.41 0.00 0.00 173.24 172.43 1hnx h THR 25 N -2.33 1.20 0.35 1.44 2.02 -1.99 -2.33 112.91 111.27 1hnx h THR 25 Ca -0.47 -0.90 -0.02 0.00 0.77 0.00 0.00 66.41 65.79 1hnx h THR 25 Cb 1.30 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.98 1hnx h THR 25 CO 0.40 0.28 -0.17 -0.33 0.37 0.00 0.00 175.52 176.07 1hnx h GLU 26 N 0.24 -0.46 -0.36 6.66 3.07 -1.93 -0.70 114.58 121.10 1hnx h GLU 26 Ca 0.04 0.03 0.07 0.00 -0.50 0.00 0.00 59.36 59.01 1hnx h GLU 26 Cb 0.44 0.10 -0.09 0.00 -0.84 0.00 0.00 28.75 28.37 1hnx h GLU 26 CO 0.03 -0.14 -0.34 0.28 -1.40 0.00 0.00 179.01 177.44 1hnx h VAL 27 N -0.82 0.22 -0.36 3.13 2.07 -1.81 0.56 116.25 119.24 1hnx h VAL 27 Ca -0.05 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.53 1hnx h VAL 27 Cb 0.53 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 30.46 1hnx h VAL 27 CO 0.08 0.00 0.07 1.56 0.02 0.00 0.00 177.57 179.30 1hnx h GLN 28 N -0.28 0.18 -0.68 1.57 4.20 -1.41 0.28 115.11 118.97 1hnx h GLN 28 Ca 0.16 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1hnx h GLN 28 Cb 0.55 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.25 1hnx h GLN 28 CO -0.52 0.12 0.43 0.28 -0.67 0.00 0.00 178.83 178.47 1hnx h VAL 29 N 0.19 1.18 0.00 -0.54 2.07 -0.11 0.19 116.25 119.22 1hnx h VAL 29 Ca 0.17 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1hnx h VAL 29 Cb 0.20 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 1hnx h VAL 29 CO -0.23 0.18 0.00 0.00 0.02 0.00 0.00 177.57 177.54 1hnx n ALA 30 N -2.43 -0.41 -0.27 1.67 0.00 0.18 -1.32 120.51 117.93 1hnx n ALA 30 Ca 0.07 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.59 1hnx n ALA 30 Cb 0.05 0.06 0.21 0.00 0.00 0.00 0.00 19.45 19.77 1hnx n ALA 30 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1hnx h LEU 31 N 0.00 0.06 -0.58 0.00 4.07 -0.43 -0.43 115.31 117.99 1hnx h LEU 31 Ca 0.00 0.15 0.04 0.00 0.08 0.00 0.00 57.88 58.15 1hnx h LEU 31 Cb 0.00 0.20 -0.04 0.00 1.08 0.00 0.00 40.66 41.89 1hnx h LEU 31 CO 0.00 -0.04 0.33 -0.07 -1.08 0.00 0.00 178.44 177.58 1hnx h LEU 32 N 0.29 0.52 -1.30 1.67 3.38 -0.93 -0.11 115.31 118.82 1hnx h LEU 32 Ca 0.45 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.46 1hnx h LEU 32 Cb 0.81 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.43 1hnx h LEU 32 CO -0.53 0.35 0.48 0.74 0.09 0.00 0.00 178.44 179.57 1hnx h THR 33 N 0.65 1.15 0.70 0.22 2.02 0.21 0.69 112.91 118.55 1hnx h THR 33 Ca 0.25 -0.32 -0.03 0.00 0.77 0.00 0.00 66.41 67.07 1hnx h THR 33 Cb 0.09 0.13 0.01 0.00 -1.74 0.00 0.00 68.15 66.63 1hnx h THR 33 CO -0.13 0.17 -0.34 0.25 0.37 0.00 0.00 175.52 175.84 1hnx h LEU 34 N 0.94 -0.79 -0.61 2.58 6.46 -0.04 -1.86 115.31 121.99 1hnx h LEU 34 Ca 0.28 0.01 0.06 0.00 -0.12 0.00 0.00 57.88 58.11 1hnx h LEU 34 Cb -0.04 0.21 -0.05 0.00 -0.73 0.00 0.00 40.66 40.04 1hnx h LEU 34 CO -0.07 -0.52 0.31 0.03 -0.62 0.00 0.00 178.44 177.57 1hnx h ARG 35 N -1.01 0.56 0.23 1.25 3.08 -0.83 -2.07 114.38 115.58 1hnx h ARG 35 Ca -0.10 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 1hnx h ARG 35 Cb 0.74 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 1hnx h ARG 35 CO 0.16 0.37 -0.27 0.82 -1.07 0.00 0.00 179.97 179.97 1hnx h ILE 36 N 0.57 0.00 -0.85 2.04 2.04 -0.77 0.50 117.51 121.04 1hnx h ILE 36 Ca 0.28 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.35 1hnx h ILE 36 Cb 0.21 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.16 1hnx h ILE 36 CO -0.20 0.00 0.27 0.78 0.00 0.00 0.00 178.15 179.00 1hnx h ASN 37 N -0.51 0.10 0.35 1.72 -0.26 -1.20 1.07 115.58 116.85 1hnx h ASN 37 Ca -0.03 0.17 -0.01 0.00 -0.56 0.00 0.00 56.30 55.87 1hnx h ASN 37 Cb 0.46 0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.92 1hnx h ASN 37 CO -0.06 -0.08 -0.27 0.03 -1.06 0.00 0.00 177.43 175.98 1hnx h ARG 38 N 0.28 -0.58 -0.50 0.81 2.47 -0.93 0.86 114.38 116.78 1hnx h ARG 38 Ca 0.52 0.04 0.10 0.00 -1.26 0.00 0.00 59.98 59.38 1hnx h ARG 38 Cb 1.01 0.13 -0.10 0.00 -1.65 0.00 0.00 29.97 29.36 1hnx h ARG 38 CO -0.59 -0.39 -0.14 1.25 0.56 0.00 0.00 179.97 180.67 1hnx h LEU 39 N -0.60 -0.50 -0.96 3.04 6.46 0.75 0.35 115.31 123.84 1hnx h LEU 39 Ca -0.05 0.15 0.16 0.00 -0.12 0.00 0.00 57.88 58.03 1hnx h LEU 39 Cb 0.50 0.33 -0.10 0.00 -0.73 0.00 0.00 40.66 40.66 1hnx h LEU 39 CO 0.01 -0.18 0.57 0.28 -0.62 0.00 0.00 178.44 178.50 1hnx h SER 40 N -0.01 0.76 0.55 1.25 0.02 0.13 0.79 113.55 117.02 1hnx h SER 40 Ca 0.24 0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 61.25 1hnx h SER 40 Cb 0.38 -0.05 0.01 0.00 0.14 0.00 0.00 62.40 62.87 1hnx h SER 40 CO -0.53 0.32 -0.26 -0.08 -1.14 0.00 0.00 176.83 175.14 1hnx h GLU 41 N 0.79 -0.71 -1.00 3.45 4.57 0.21 -2.44 114.58 119.46 1hnx h GLU 41 Ca 0.53 0.05 0.32 0.00 -1.18 0.00 0.00 59.36 59.07 1hnx h GLU 41 Cb 0.73 0.16 -0.15 0.00 -0.16 0.00 0.00 28.75 29.33 1hnx h GLU 41 CO -0.35 -0.43 0.56 1.25 -1.18 0.00 0.00 179.01 178.86 1hnx h HIS 42 N -0.82 0.92 0.00 0.92 -0.00 0.68 0.19 115.15 117.03 1hnx h HIS 42 Ca -0.07 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.33 1hnx h HIS 42 Cb 0.60 -0.24 0.00 0.00 -0.00 0.00 0.00 27.41 27.77 1hnx h HIS 42 CO -0.02 -0.16 0.00 -0.07 -0.00 0.00 0.00 177.93 177.68 1hnx h LEU 43 N 0.34 0.00 -1.77 0.26 3.38 -0.45 -2.54 115.31 114.53 1hnx h LEU 43 Ca 0.72 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.67 1hnx h LEU 43 Cb 1.63 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.38 1hnx h LEU 43 CO -0.60 0.00 -0.09 0.11 0.09 0.00 0.00 178.44 177.95 1hnx h LYS 44 N 0.00 0.03 -6.16 1.13 1.57 -0.31 -3.26 116.57 109.57 1hnx h LYS 44 Ca 0.00 -0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.28 1hnx h LYS 44 Cb 0.61 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.88 1hnx h LYS 44 CO 0.00 0.12 -0.37 0.08 -0.57 0.00 0.00 179.45 178.72 1hnx s VAL 45 N -4.84 2.57 -1.57 0.50 1.01 -0.95 -4.51 120.40 112.60 1hnx s VAL 45 Ca -0.05 -1.35 -0.14 0.00 0.00 0.00 0.00 61.98 60.44 1hnx s VAL 45 Cb 0.16 -2.92 0.10 0.00 0.00 0.00 0.00 36.38 33.73 1hnx s VAL 45 CO 0.69 0.00 0.90 1.41 0.00 0.00 0.00 175.10 178.10 1hnx n HIS 46 N -1.57 -2.10 0.10 5.22 8.25 -1.26 -4.73 115.22 119.12 1hnx n HIS 46 Ca 0.03 0.87 0.06 0.00 -0.26 0.00 0.00 57.72 58.43 1hnx n HIS 46 Cb 0.62 -3.68 0.35 0.00 1.12 0.00 0.00 29.99 28.40 1hnx n HIS 46 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1hnx n LYS 47 N -4.57 0.08 0.00 -0.41 5.02 -1.23 -0.10 118.16 116.95 1hnx n LYS 47 Ca 0.03 0.57 0.13 0.00 -2.02 0.00 0.00 58.31 57.01 1hnx n LYS 47 Cb 0.53 -1.81 0.32 0.00 -0.02 0.00 0.00 35.03 34.05 1hnx n LYS 47 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1hnx n LYS 48 N -1.94 1.08 -1.42 1.97 5.02 -1.26 -4.54 118.16 117.07 1hnx n LYS 48 Ca -0.01 -0.71 -0.40 0.00 -2.02 0.00 0.00 58.31 55.18 1hnx n LYS 48 Cb 0.05 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.56 1hnx n LYS 48 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1hnx n ASP 49 N -0.34 7.53 -0.35 4.39 2.03 0.86 -4.70 116.55 125.97 1hnx n ASP 49 Ca 0.13 -2.64 0.06 0.00 0.52 0.00 0.00 54.79 52.85 1hnx n ASP 49 Cb 0.38 -1.59 0.22 0.00 -0.72 0.00 0.00 41.12 39.42 1hnx n ASP 49 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 1hnx h HIS 50 N 5.26 1.11 -0.65 -0.67 3.86 -1.83 -2.15 115.15 120.08 1hnx h HIS 50 Ca 0.80 0.03 0.13 0.00 -1.16 0.00 0.00 60.37 60.17 1hnx h HIS 50 Cb 0.37 -0.35 -0.04 0.00 1.06 0.00 0.00 27.41 28.45 1hnx h HIS 50 CO 1.78 0.46 0.44 0.45 0.86 0.00 0.00 177.93 181.92 1hnx h HIS 51 N 0.99 0.36 0.00 2.45 3.86 -1.99 0.18 115.15 121.01 1hnx h HIS 51 Ca 0.48 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.68 1hnx h HIS 51 Cb 0.43 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 28.78 1hnx h HIS 51 CO -0.01 0.15 -0.22 0.77 0.86 0.00 0.00 177.93 179.48 1hnx h SER 52 N 0.32 0.00 -0.51 2.45 0.02 -1.79 -3.28 113.55 110.76 1hnx h SER 52 Ca 0.31 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.31 1hnx h SER 52 Cb 0.78 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.28 1hnx h SER 52 CO -0.08 0.05 0.26 -0.74 -1.14 0.00 0.00 176.83 175.18 1hnx h HIS 53 N 0.00 0.48 -0.22 3.45 2.76 -0.51 -2.41 115.15 118.70 1hnx h HIS 53 Ca -0.00 0.02 0.06 0.00 -2.20 0.00 0.00 60.37 58.25 1hnx h HIS 53 Cb 1.04 -0.14 -0.07 0.00 1.55 0.00 0.00 27.41 29.79 1hnx h HIS 53 CO 0.00 0.23 -0.30 -0.09 -1.30 0.00 0.00 177.93 176.47 1hnx h ARG 54 N 0.50 -0.31 -0.88 5.26 2.43 -1.60 0.13 114.38 119.92 1hnx h ARG 54 Ca 0.23 0.02 0.14 0.00 -0.81 0.00 0.00 59.98 59.55 1hnx h ARG 54 Cb 0.14 0.07 -0.15 0.00 -0.42 0.00 0.00 29.97 29.61 1hnx h ARG 54 CO -0.16 -0.21 -0.39 0.78 -1.51 0.00 0.00 179.97 178.48 1hnx h GLY 55 N -0.32 -0.04 0.24 2.80 0.00 -1.59 0.24 103.07 104.40 1hnx h GLY 55 Ca 0.12 0.52 0.00 0.00 0.00 0.00 0.00 47.33 47.98 1hnx h GLY 55 CO -0.40 -0.19 -0.45 -2.00 0.00 0.00 0.00 176.54 173.50 1hnx h LEU 56 N -0.05 -1.31 -0.94 3.11 5.85 -0.76 0.36 115.31 121.56 1hnx h LEU 56 Ca 0.30 0.13 0.39 0.00 0.84 0.00 0.00 57.88 59.53 1hnx h LEU 56 Cb 0.58 0.46 -0.16 0.00 0.37 0.00 0.00 40.66 41.91 1hnx h LEU 56 CO -0.90 -0.52 0.53 -0.11 -0.34 0.00 0.00 178.44 177.09 1hnx n LEU 57 N -5.07 0.30 0.09 2.25 7.94 0.64 0.00 117.00 123.15 1hnx n LEU 57 Ca -0.09 1.47 -0.23 0.00 -1.11 0.00 0.00 56.01 56.05 1hnx n LEU 57 Cb 0.37 -0.72 -0.15 0.00 0.53 0.00 0.00 43.42 43.46 1hnx n LEU 57 CO 0.17 -1.64 -0.22 0.24 -1.11 0.00 0.00 177.39 174.84 1hnx h MET 58 N 0.00 0.41 -0.65 1.96 2.86 -0.07 -2.62 114.93 116.82 1hnx h MET 58 Ca 0.77 -0.70 0.01 0.00 -2.06 0.00 0.00 59.70 57.72 1hnx h MET 58 Cb 2.10 0.26 -0.03 0.00 0.06 0.00 0.00 31.60 33.98 1hnx h MET 58 CO -0.66 1.33 0.43 0.52 1.06 0.00 0.00 176.91 179.59 1hnx h MET 59 N -0.08 0.85 -0.13 1.72 2.86 0.17 0.43 114.93 120.75 1hnx h MET 59 Ca -0.24 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.36 1hnx h MET 59 Cb 1.94 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 33.40 1hnx h MET 59 CO 0.20 0.57 0.06 0.28 1.06 0.00 0.00 176.91 179.07 1hnx h VAL 60 N 0.88 0.99 0.13 -2.22 2.07 -0.54 -0.42 116.25 117.15 1hnx h VAL 60 Ca 0.24 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.71 1hnx h VAL 60 Cb -0.10 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1hnx h VAL 60 CO -0.05 0.02 -0.30 1.23 0.02 0.00 0.00 177.57 178.49 1hnx h GLY 61 N 0.13 -1.14 -0.04 2.17 0.00 -0.78 0.62 103.07 104.02 1hnx h GLY 61 Ca 0.05 0.56 0.25 0.00 0.00 0.00 0.00 47.33 48.20 1hnx h GLY 61 CO -0.04 -0.35 0.66 -1.61 0.00 0.00 0.00 176.54 175.20 1hnx h GLN 62 N -0.47 0.38 0.37 4.80 5.75 -0.08 0.12 115.11 125.97 1hnx h GLN 62 Ca -0.01 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.45 1hnx h GLN 62 Cb 0.45 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.92 1hnx h GLN 62 CO -0.13 0.25 -0.18 -0.09 -2.65 0.00 0.00 178.83 176.04 1hnx h ARG 63 N 0.39 -0.48 -0.10 1.69 2.43 -0.32 -1.31 114.38 116.68 1hnx h ARG 63 Ca 0.57 0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.80 1hnx h ARG 63 Cb 1.45 0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 31.10 1hnx h ARG 63 CO -0.26 -0.21 0.15 0.07 -1.51 0.00 0.00 179.97 178.21 1hnx h ARG 64 N -1.04 0.00 0.05 0.20 0.11 -0.35 0.20 114.38 113.55 1hnx h ARG 64 Ca -0.05 0.00 -0.23 0.00 0.10 0.00 0.00 59.98 59.80 1hnx h ARG 64 Cb 0.49 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.55 1hnx h ARG 64 CO 0.08 0.00 -1.08 -0.09 0.10 0.00 0.00 179.97 178.98 1hnx h ARG 65 N 0.00 0.11 -0.08 0.08 2.43 -0.71 -2.65 114.38 113.55 1hnx h ARG 65 Ca 0.05 -0.18 -0.06 0.00 -0.81 0.00 0.00 59.98 58.99 1hnx h ARG 65 Cb 0.35 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1hnx h ARG 65 CO -0.00 1.08 -0.17 -0.07 -1.51 0.00 0.00 179.97 179.30 1hnx h LEU 66 N 0.03 0.29 -0.95 3.80 3.38 0.53 -2.96 115.31 119.43 1hnx h LEU 66 Ca -0.06 -0.57 0.11 0.00 0.09 0.00 0.00 57.88 57.45 1hnx h LEU 66 Cb 1.83 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 42.42 1hnx h LEU 66 CO 0.16 0.80 0.58 -0.07 0.09 0.00 0.00 178.44 180.00 1hnx h LEU 67 N -0.22 0.86 -0.11 1.67 3.38 -1.20 -0.90 115.31 118.79 1hnx h LEU 67 Ca 0.00 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.06 1hnx h LEU 67 Cb 0.76 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.32 1hnx h LEU 67 CO 0.04 0.48 -0.23 -0.09 0.09 0.00 0.00 178.44 178.72 1hnx h ARG 68 N 0.95 -0.29 -0.70 1.13 2.43 -1.39 0.27 114.38 116.78 1hnx h ARG 68 Ca 0.46 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.77 1hnx h ARG 68 Cb 0.41 0.07 -0.08 0.00 -0.42 0.00 0.00 29.97 29.94 1hnx h ARG 68 CO -0.25 -0.20 0.28 -0.92 -1.51 0.00 0.00 179.97 177.37 1hnx h TYR 69 N -0.31 0.48 0.57 2.20 3.20 -1.04 -0.60 116.97 121.48 1hnx h TYR 69 Ca 0.09 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.97 1hnx h TYR 69 Cb 0.44 -0.11 0.01 0.00 1.54 0.00 0.00 36.73 38.61 1hnx h TYR 69 CO -0.32 0.10 -0.28 1.25 -1.64 0.00 0.00 178.16 177.27 1hnx h LEU 70 N 0.45 -0.65 -0.87 2.82 7.12 -0.23 -0.37 115.31 123.58 1hnx h LEU 70 Ca 0.37 0.02 0.15 0.00 0.13 0.00 0.00 57.88 58.55 1hnx h LEU 70 Cb 0.50 0.17 -0.15 0.00 -0.53 0.00 0.00 40.66 40.65 1hnx h LEU 70 CO -0.35 -0.42 -0.34 -0.61 -0.13 0.00 0.00 178.44 176.58 1hnx h GLN 71 N -0.86 -0.04 -0.60 1.25 -0.00 -0.37 0.46 115.11 114.95 1hnx h GLN 71 Ca -0.08 0.00 0.06 0.00 -0.00 0.00 0.00 58.65 58.63 1hnx h GLN 71 Cb 0.59 0.01 -0.05 0.00 0.00 0.00 0.00 27.48 28.03 1hnx h GLN 71 CO 0.13 -0.03 0.30 -0.09 0.00 0.00 0.00 178.83 179.14 1hnx h ARG 72 N -0.04 0.55 0.07 1.69 2.43 -1.05 -2.91 114.38 115.12 1hnx h ARG 72 Ca 0.33 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.47 1hnx h ARG 72 Cb 0.60 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 1hnx h ARG 72 CO -0.90 0.36 -0.03 0.93 -1.51 0.00 0.00 179.97 178.82 1hnx h GLU 73 N 0.56 -0.09 -3.33 0.20 4.39 0.16 -3.43 114.58 113.05 1hnx h GLU 73 Ca 0.27 0.01 -0.62 0.00 0.34 0.00 0.00 59.36 59.36 1hnx h GLU 73 Cb 0.20 0.02 -0.40 0.00 -0.10 0.00 0.00 28.75 28.47 1hnx h GLU 73 CO -0.20 -0.06 -0.71 0.34 -1.16 0.00 0.00 179.01 177.22 1hnx s ASP 74 N -2.80 3.97 0.54 1.42 2.15 0.35 -4.98 116.67 117.32 1hnx s ASP 74 Ca -0.01 -2.54 0.32 0.00 0.43 0.00 0.00 52.55 50.75 1hnx s ASP 74 Cb 0.00 -1.22 1.49 0.00 -0.30 0.00 0.00 42.92 42.90 1hnx s ASP 74 CO 0.04 -0.29 1.87 1.55 -0.17 0.00 0.00 175.17 178.17 1hnx h PRO 75 N 6.94 0.00 0.62 4.34 0.13 -1.67 -2.59 132.00 139.77 1hnx h PRO 75 Ca -0.05 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.05 1hnx h PRO 75 Cb 0.94 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.08 1hnx h PRO 75 CO 0.53 0.00 -0.30 1.49 -0.23 0.00 0.00 178.00 179.50 1hnx h GLU 76 N 0.00 -0.80 -0.89 0.86 4.57 -1.92 -2.68 114.58 113.71 1hnx h GLU 76 Ca 0.44 0.05 0.23 0.00 -1.18 0.00 0.00 59.36 58.91 1hnx h GLU 76 Cb 1.81 0.18 -0.13 0.00 -0.16 0.00 0.00 28.75 30.45 1hnx h GLU 76 CO -0.00 -0.54 0.34 0.00 -1.18 0.00 0.00 179.01 177.63 1hnx h ARG 77 N -1.00 0.31 0.00 1.92 3.08 -1.86 -1.96 114.38 114.87 1hnx h ARG 77 Ca -0.09 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1hnx h ARG 77 Cb 0.64 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1hnx h ARG 77 CO 0.14 0.20 0.00 0.98 -1.07 0.00 0.00 179.97 180.22 1hnx n TYR 78 N -5.11 0.00 -0.38 3.04 9.36 -1.07 -0.33 117.16 122.66 1hnx n TYR 78 Ca 0.22 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.39 1hnx n TYR 78 Cb 0.68 -0.29 -0.02 0.00 -0.63 0.00 0.00 39.34 39.09 1hnx n TYR 78 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1hnx n ARG 79 N -1.98 -0.30 -0.25 2.98 1.74 -0.79 0.11 116.66 118.17 1hnx n ARG 79 Ca 0.00 1.44 0.03 0.00 -0.77 0.00 0.00 57.85 58.56 1hnx n ARG 79 Cb 0.00 -2.13 0.13 0.00 -1.02 0.00 0.00 32.46 29.44 1hnx n ARG 79 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1hnx h ALA 80 N 0.95 0.67 0.45 7.54 0.00 -0.80 -0.85 119.26 127.21 1hnx h ALA 80 Ca 0.25 0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.39 1hnx h ALA 80 Cb 0.49 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1hnx h ALA 80 CO -0.92 -0.42 -0.22 1.25 0.00 0.00 0.00 179.25 178.95 1hnx h LEU 81 N 0.07 -0.51 0.00 0.00 6.46 0.27 -2.29 115.31 119.30 1hnx h LEU 81 Ca 0.38 -0.04 0.00 0.00 -0.12 0.00 0.00 57.88 58.10 1hnx h LEU 81 Cb 0.65 0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.71 1hnx h LEU 81 CO -0.68 -0.28 0.00 -0.38 -0.62 0.00 0.00 178.44 176.49 1hnx n ILE 82 N -5.30 0.00 -0.27 4.05 5.41 -0.69 0.42 119.36 122.98 1hnx n ILE 82 Ca -0.11 1.46 0.13 0.00 1.00 0.00 0.00 62.75 65.23 1hnx n ILE 82 Cb 0.28 -2.41 0.26 0.00 -0.71 0.00 0.00 39.64 37.06 1hnx n ILE 82 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1hnx n GLU 83 N -1.98 -0.06 0.00 0.38 0.00 -0.38 0.16 120.64 118.75 1hnx n GLU 83 Ca 0.00 1.18 0.00 0.00 0.00 0.00 0.00 57.16 58.34 1hnx n GLU 83 Cb 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 31.44 29.54 1hnx n GLU 83 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1hnx n LYS 84 N -5.08 0.00 -0.25 5.31 4.81 -0.86 -3.61 118.16 118.47 1hnx n LYS 84 Ca 0.20 0.39 0.06 0.00 -0.87 0.00 0.00 58.31 58.09 1hnx n LYS 84 Cb 0.66 -1.34 0.19 0.00 0.02 0.00 0.00 35.03 34.55 1hnx n LYS 84 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1hnx h LEU 85 N 0.00 0.02 0.00 3.14 3.38 0.23 -3.46 115.31 118.61 1hnx h LEU 85 Ca 0.00 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1hnx h LEU 85 Cb 0.00 0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1hnx h LEU 85 CO 0.00 -0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.10 1hnx n GLY 86 N -1.35 1.60 3.92 0.83 0.00 0.41 -5.07 105.19 105.53 1hnx n GLY 86 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 1hnx n GLY 86 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hnx s ILE 87 N -2.00 4.77 0.00 -0.61 1.01 -1.21 -4.97 121.20 118.19 1hnx s ILE 87 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.58 1hnx s ILE 87 Cb 0.00 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.68 1hnx s ILE 87 CO 0.00 -0.69 0.00 0.54 0.00 0.00 0.00 174.94 174.79 1hnx n ARG 88 N -2.14 0.00 0.00 2.79 5.12 -1.26 -4.74 116.66 116.42 1hnx n ARG 88 Ca -0.01 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.91 1hnx n ARG 88 Cb 0.56 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.86 1hnx n ARG 88 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11