#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nh5 s ASP 2 N 0.00 0.13 0.00 -5.58 -0.00 -1.26 -0.39 116.67 109.57 1nh5 s ASP 2 Ca 0.00 -0.47 0.00 0.00 -0.00 0.00 0.00 52.55 52.08 1nh5 s ASP 2 Cb 0.00 0.24 0.00 0.00 -0.00 0.00 0.00 42.92 43.16 1nh5 s ASP 2 CO 0.00 -0.52 0.00 0.61 -0.00 0.00 0.00 175.17 175.26 1nh5 n GLY 3 N 0.78 0.46 3.59 0.21 0.00 -0.14 -4.79 105.19 105.29 1nh5 n GLY 3 Ca -0.19 -1.60 -0.39 0.00 0.00 0.00 0.00 46.02 43.83 1nh5 n GLY 3 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nh5 s TYR 4 N -3.03 3.24 0.12 1.61 2.02 0.34 -0.02 117.35 121.64 1nh5 s TYR 4 Ca 0.00 0.35 -0.30 0.00 -0.37 0.00 0.00 57.07 56.75 1nh5 s TYR 4 Cb 0.00 -2.61 -0.07 0.00 -0.40 0.00 0.00 41.96 38.88 1nh5 s TYR 4 CO 0.00 -0.28 1.14 -1.25 -1.57 0.00 0.00 175.55 173.59 1nh5 s PRO 5 N 2.10 4.52 -0.38 -1.71 0.04 -1.26 -0.15 135.00 138.14 1nh5 s PRO 5 Ca 0.15 1.74 0.02 0.00 0.04 0.00 0.00 61.00 62.95 1nh5 s PRO 5 Cb -0.16 -3.31 0.15 0.00 0.04 0.00 0.00 34.50 31.22 1nh5 s PRO 5 CO 0.10 -0.08 0.28 0.14 0.04 0.00 0.00 177.00 177.48 1nh5 s VAL 6 N 0.36 0.29 0.10 -0.36 -7.23 0.13 -4.15 120.40 109.53 1nh5 s VAL 6 Ca 0.53 -2.20 0.00 0.00 -1.81 0.00 0.00 61.98 58.51 1nh5 s VAL 6 Cb -0.29 -1.22 0.00 0.00 0.56 0.00 0.00 36.38 35.43 1nh5 s VAL 6 CO 0.32 -1.10 0.00 -0.90 -0.31 0.00 0.00 175.10 173.11 1nh5 n ASP 7 N 3.44 -0.85 -0.20 4.85 3.85 -1.25 -4.73 116.55 121.66 1nh5 n ASP 7 Ca 0.20 0.18 -0.10 0.00 -0.71 0.00 0.00 54.79 54.37 1nh5 n ASP 7 Cb 0.42 1.18 0.02 0.00 -1.35 0.00 0.00 41.12 41.39 1nh5 n ASP 7 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 1nh5 h SER 8 N 0.00 1.02 0.74 -1.12 4.64 -1.95 -2.65 113.55 114.24 1nh5 h SER 8 Ca 0.00 -0.32 -0.06 0.00 -0.47 0.00 0.00 61.79 60.95 1nh5 h SER 8 Cb 0.00 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.80 1nh5 h SER 8 CO 0.00 1.09 -1.30 2.29 -0.87 0.00 0.00 176.83 178.04 1nh5 n LYS 9 N -4.20 0.62 0.00 4.77 2.85 -1.26 -5.00 118.16 115.94 1nh5 n LYS 9 Ca 0.02 0.10 0.00 0.00 -1.05 0.00 0.00 58.31 57.38 1nh5 n LYS 9 Cb 0.36 -1.77 0.00 0.00 -0.65 0.00 0.00 35.03 32.97 1nh5 n LYS 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1nh5 n GLY 10 N 1.27 1.99 2.57 2.58 0.00 -1.00 -4.75 105.19 107.85 1nh5 n GLY 10 Ca -0.04 -0.44 -0.28 0.00 0.00 0.00 0.00 46.02 45.26 1nh5 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nh5 n LYS 12 N 2.71 -0.70 -3.83 0.00 4.76 -1.26 -4.76 118.16 115.08 1nh5 n LYS 12 Ca 0.24 0.54 -0.12 0.00 -2.87 0.00 0.00 58.31 56.10 1nh5 n LYS 12 Cb 0.42 -0.83 -0.10 0.00 -1.84 0.00 0.00 35.03 32.69 1nh5 n LYS 12 CO 0.00 0.00 0.00 -0.48 -1.37 0.00 0.00 177.40 175.55 1nh5 s LEU 13 N -5.18 1.29 0.25 -0.35 2.34 -1.26 -4.97 118.68 110.80 1nh5 s LEU 13 Ca 0.00 0.05 0.23 0.00 0.06 0.00 0.00 54.13 54.47 1nh5 s LEU 13 Cb 0.00 0.82 0.18 0.00 -0.56 0.00 0.00 46.19 46.63 1nh5 s LEU 13 CO 0.00 -0.30 1.27 -1.28 -1.06 0.00 0.00 176.35 174.98 1nh5 h SER 14 N 4.64 0.00 -4.03 1.48 0.87 -1.94 -0.33 113.55 114.24 1nh5 h SER 14 Ca -0.29 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.24 1nh5 h SER 14 Cb 1.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 1nh5 h SER 14 CO 0.39 0.02 -0.49 0.00 -0.53 0.00 0.00 176.83 176.22 1nh5 n VAL 16 N -1.02 0.04 -3.45 0.00 3.14 -1.26 -4.97 118.33 110.81 1nh5 n VAL 16 Ca 0.00 -0.11 -0.13 0.00 -2.96 0.00 0.00 64.34 61.14 1nh5 n VAL 16 Cb 0.02 0.57 -0.03 0.00 -1.06 0.00 0.00 33.84 33.34 1nh5 n VAL 16 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1nh5 s ALA 17 N -3.10 -1.66 0.28 1.55 0.00 -1.26 -5.03 121.76 112.54 1nh5 s ALA 17 Ca 0.06 0.71 -0.02 0.00 0.00 0.00 0.00 51.96 52.71 1nh5 s ALA 17 Cb 0.16 0.65 0.42 0.00 0.00 0.00 0.00 23.12 24.35 1nh5 s ALA 17 CO 0.83 -0.68 1.92 -0.91 0.00 0.00 0.00 175.76 176.92 1nh5 h ASN 18 N 2.20 1.01 0.76 0.00 2.35 -1.93 0.04 115.58 120.01 1nh5 h ASN 18 Ca -0.31 -0.01 -0.16 0.00 -0.55 0.00 0.00 56.30 55.27 1nh5 h ASN 18 Cb 1.27 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 39.39 1nh5 h ASN 18 CO 0.37 0.68 -0.75 -0.55 -1.65 0.00 0.00 177.43 175.53 1nh5 h ASN 19 N 1.16 0.00 -0.77 5.81 -1.07 -1.97 -3.31 115.58 115.42 1nh5 h ASN 19 Ca 0.39 0.00 0.07 0.00 0.07 0.00 0.00 56.30 56.82 1nh5 h ASN 19 Cb 0.06 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.26 1nh5 h ASN 19 CO -0.13 0.75 0.51 0.22 0.07 0.00 0.00 177.43 178.85 1nh5 h TYR 20 N 0.00 0.83 -0.48 4.14 3.20 -1.38 0.78 116.97 124.06 1nh5 h TYR 20 Ca -0.01 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.93 1nh5 h TYR 20 Cb 1.34 -0.27 -0.04 0.00 1.54 0.00 0.00 36.73 39.29 1nh5 h TYR 20 CO 0.00 0.43 0.22 0.00 -1.64 0.00 0.00 178.16 177.17 1nh5 h ASP 22 N 0.44 0.05 -0.05 0.00 3.58 -0.96 0.42 116.42 119.90 1nh5 h ASP 22 Ca 0.21 -0.14 -0.14 0.00 0.42 0.00 0.00 57.03 57.38 1nh5 h ASP 22 Cb 0.15 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.18 1nh5 h ASP 22 CO -0.17 0.18 -0.42 -0.55 -2.88 0.00 0.00 179.24 175.40 1nh5 h ASN 23 N -0.08 0.62 0.02 2.28 -1.07 -1.57 -0.45 115.58 115.33 1nh5 h ASN 23 Ca 0.01 -0.28 -0.05 0.00 0.07 0.00 0.00 56.30 56.05 1nh5 h ASN 23 Cb 0.15 -0.17 -0.01 0.00 -2.07 0.00 0.00 38.32 36.21 1nh5 h ASN 23 CO -0.00 0.96 -0.13 -0.61 0.07 0.00 0.00 177.43 177.71 1nh5 h GLN 24 N 0.47 0.25 0.04 4.14 -0.00 -0.27 -2.18 115.11 117.57 1nh5 h GLN 24 Ca 0.04 -0.06 -0.00 0.00 -0.00 0.00 0.00 58.65 58.63 1nh5 h GLN 24 Cb 0.93 -0.03 0.00 0.00 0.00 0.00 0.00 27.48 28.38 1nh5 h GLN 24 CO 0.08 0.39 -0.02 0.00 0.00 0.00 0.00 178.83 179.28 1nh5 h LYS 26 N -0.94 0.00 0.00 0.00 5.09 -0.94 0.37 116.57 120.15 1nh5 h LYS 26 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.72 1nh5 h LYS 26 Cb 0.62 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.95 1nh5 h LYS 26 CO 0.01 0.13 -0.07 0.00 -2.09 0.00 0.00 179.45 177.44 1nh5 h MET 27 N 0.00 0.00 0.00 0.07 -0.00 -1.57 -3.41 114.93 110.02 1nh5 h MET 27 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1nh5 h MET 27 Cb 0.79 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.39 1nh5 h MET 27 CO 0.02 0.07 0.00 1.17 -0.00 0.00 0.00 176.91 178.16 1nh5 n LYS 28 N -3.68 0.00 -0.02 -0.10 3.00 -0.96 -5.00 118.16 111.41 1nh5 n LYS 28 Ca -0.02 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.16 1nh5 n LYS 28 Cb 0.17 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 35.11 1nh5 n LYS 28 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 1nh5 h LYS 29 N 0.00 0.08 0.00 1.64 1.79 -0.57 -3.48 116.57 116.03 1nh5 h LYS 29 Ca 0.00 -0.03 -0.31 0.00 -2.18 0.00 0.00 60.65 58.12 1nh5 h LYS 29 Cb 0.00 -0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 30.57 1nh5 h LYS 29 CO 0.00 0.43 -0.28 0.00 -1.08 0.00 0.00 179.45 178.52 1nh5 n ALA 30 N -2.30 0.38 0.02 3.86 0.00 -0.39 -4.25 120.51 117.83 1nh5 n ALA 30 Ca -0.07 -1.21 -0.15 0.00 0.00 0.00 0.00 53.44 52.00 1nh5 n ALA 30 Cb 0.22 0.88 -0.14 0.00 0.00 0.00 0.00 19.45 20.41 1nh5 n ALA 30 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1nh5 h SER 31 N 1.07 0.27 -1.18 0.00 0.87 -0.11 -3.38 113.55 111.09 1nh5 h SER 31 Ca -0.17 -0.49 0.00 0.00 -1.23 0.00 0.00 61.79 59.89 1nh5 h SER 31 Cb 0.72 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 1nh5 h SER 31 CO 0.26 1.43 0.00 0.61 -0.53 0.00 0.00 176.83 178.61 1nh5 n GLY 32 N 1.73 2.50 3.60 5.77 0.00 -0.19 -4.67 105.19 113.92 1nh5 n GLY 32 Ca -0.21 -1.15 0.02 0.00 0.00 0.00 0.00 46.02 44.68 1nh5 n GLY 32 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nh5 s GLY 33 N -0.96 -0.42 0.00 -0.02 0.00 -1.26 -0.07 107.32 104.58 1nh5 s GLY 33 Ca 0.00 0.90 -0.10 0.00 0.00 0.00 0.00 44.72 45.52 1nh5 s GLY 33 CO 0.00 0.19 0.20 -2.38 0.00 0.00 0.00 173.10 171.12 1nh5 s HIS 34 N -2.28 -0.03 -1.03 1.90 -3.43 0.13 -3.94 115.29 106.61 1nh5 s HIS 34 Ca 0.14 -0.02 -0.21 0.00 -0.80 0.00 0.00 55.06 54.17 1nh5 s HIS 34 Cb 0.05 0.00 0.07 0.00 -1.43 0.00 0.00 32.58 31.28 1nh5 s HIS 34 CO -0.05 -0.34 1.40 0.00 -2.00 0.00 0.00 174.74 173.75 1nh5 s TYR 36 N 4.26 2.99 0.34 0.00 5.04 -1.09 -4.93 117.35 123.95 1nh5 s TYR 36 Ca 0.43 1.49 0.03 0.00 -2.44 0.00 0.00 57.07 56.59 1nh5 s TYR 36 Cb -0.01 -2.99 0.65 0.00 0.35 0.00 0.00 41.96 39.96 1nh5 s TYR 36 CO -0.08 -1.18 1.94 0.00 -1.34 0.00 0.00 175.55 174.90 1nh5 h ALA 37 N 0.13 1.61 0.05 3.97 0.00 -1.96 -1.25 119.26 121.83 1nh5 h ALA 37 Ca -0.46 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.16 1nh5 h ALA 37 Cb 1.22 -0.23 0.02 0.00 0.00 0.00 0.00 17.79 18.80 1nh5 h ALA 37 CO 0.57 0.27 -1.10 0.52 0.00 0.00 0.00 179.25 179.51 1nh5 h MET 38 N 0.88 0.54 -1.41 0.00 2.86 -1.95 -3.49 114.93 112.37 1nh5 h MET 38 Ca 0.34 -0.66 0.30 0.00 -2.06 0.00 0.00 59.70 57.62 1nh5 h MET 38 Cb 0.21 0.20 -0.16 0.00 0.06 0.00 0.00 31.60 31.92 1nh5 h MET 38 CO -0.12 1.27 0.84 -1.12 1.06 0.00 0.00 176.91 178.84 1nh5 s SER 39 N -7.26 -0.09 -0.31 1.22 0.01 -0.47 -4.85 113.70 101.96 1nh5 s SER 39 Ca -0.08 -0.06 -0.28 0.00 1.31 0.00 0.00 55.95 56.84 1nh5 s SER 39 Cb 0.07 0.14 -0.05 0.00 0.21 0.00 0.00 66.02 66.39 1nh5 s SER 39 CO 0.90 -0.24 2.20 0.00 0.41 0.00 0.00 173.24 176.52 1nh5 s TYR 41 N 9.07 2.75 0.33 0.00 5.04 -0.23 -4.36 117.35 129.94 1nh5 s TYR 41 Ca 0.96 -0.04 -0.08 0.00 -2.44 0.00 0.00 57.07 55.48 1nh5 s TYR 41 Cb -0.27 -4.15 -0.06 0.00 0.35 0.00 0.00 41.96 37.83 1nh5 s TYR 41 CO 0.32 -1.43 0.64 0.00 -1.34 0.00 0.00 175.55 173.75 1nh5 s GLU 43 N -3.58 0.59 0.00 0.00 2.12 0.89 -0.97 118.70 117.75 1nh5 s GLU 43 Ca 0.47 0.09 0.00 0.00 0.36 0.00 0.00 54.97 55.90 1nh5 s GLU 43 Cb -0.11 -0.91 0.00 0.00 0.26 0.00 0.00 34.13 33.37 1nh5 s GLU 43 CO 0.29 -0.27 0.00 0.41 -0.54 0.00 0.00 175.26 175.15 1nh5 n GLY 44 N 4.98 0.20 3.94 -1.50 0.00 -0.58 -1.03 105.19 111.20 1nh5 n GLY 44 Ca -0.10 -0.24 -0.25 0.00 0.00 0.00 0.00 46.02 45.43 1nh5 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nh5 s LEU 45 N -2.38 4.17 0.66 0.99 1.02 0.47 -1.27 118.68 122.34 1nh5 s LEU 45 Ca 0.00 0.38 -0.12 0.00 0.02 0.00 0.00 54.13 54.40 1nh5 s LEU 45 Cb 0.00 -3.18 -0.01 0.00 0.02 0.00 0.00 46.19 43.02 1nh5 s LEU 45 CO 0.00 -0.13 1.06 -2.16 0.02 0.00 0.00 176.35 175.13 1nh5 s PRO 46 N -3.74 3.10 0.00 1.29 0.04 -1.26 -2.79 135.00 131.64 1nh5 s PRO 46 Ca 0.38 1.03 0.30 0.00 0.04 0.00 0.00 61.00 62.75 1nh5 s PRO 46 Cb -0.10 -2.01 1.53 0.00 0.04 0.00 0.00 34.50 33.96 1nh5 s PRO 46 CO 0.31 -0.97 2.03 0.39 0.04 0.00 0.00 177.00 178.80 1nh5 n GLU 47 N -2.74 0.86 0.17 4.56 1.02 -1.26 -1.90 120.64 121.36 1nh5 n GLU 47 Ca 0.08 -0.18 0.04 0.00 -0.02 0.00 0.00 57.16 57.08 1nh5 n GLU 47 Cb 0.53 -1.50 0.24 0.00 -0.02 0.00 0.00 31.44 30.70 1nh5 n GLU 47 CO 0.00 0.00 0.00 -2.95 1.18 0.00 0.00 177.13 175.36 1nh5 h ASN 48 N 0.43 0.00 -3.39 1.62 -1.07 -2.01 -3.44 115.58 107.72 1nh5 h ASN 48 Ca 0.00 0.00 -0.55 0.00 0.07 0.00 0.00 56.30 55.82 1nh5 h ASN 48 Cb 0.22 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.43 1nh5 h ASN 48 CO 0.00 0.45 0.11 0.00 0.07 0.00 0.00 177.43 178.06 1nh5 s ALA 49 N -3.44 3.40 -0.19 4.14 0.00 -0.80 -5.04 121.76 119.84 1nh5 s ALA 49 Ca 0.01 0.20 -0.12 0.00 0.00 0.00 0.00 51.96 52.05 1nh5 s ALA 49 Cb 0.10 -2.93 -0.05 0.00 0.00 0.00 0.00 23.12 20.25 1nh5 s ALA 49 CO 0.71 0.08 0.22 0.21 0.00 0.00 0.00 175.76 176.98 1nh5 s LYS 50 N -0.02 4.21 0.26 0.00 2.36 -1.26 -4.93 119.74 120.37 1nh5 s LYS 50 Ca 0.36 -0.06 0.08 0.00 -2.55 0.00 0.00 55.97 53.81 1nh5 s LYS 50 Cb -0.20 -3.44 -0.05 0.00 -1.05 0.00 0.00 37.83 33.09 1nh5 s LYS 50 CO 0.21 0.23 -0.10 0.14 1.55 0.00 0.00 175.35 177.38 1nh5 s VAL 51 N 0.52 1.84 0.20 4.02 -7.23 -1.26 -0.70 120.40 117.79 1nh5 s VAL 51 Ca 0.12 -2.19 0.08 0.00 -1.81 0.00 0.00 61.98 58.18 1nh5 s VAL 51 Cb -0.12 -2.33 -0.04 0.00 0.56 0.00 0.00 36.38 34.44 1nh5 s VAL 51 CO 0.02 -0.39 -0.04 -0.55 -0.31 0.00 0.00 175.10 173.83 1nh5 s SER 52 N -3.43 4.50 -0.09 4.85 0.15 0.78 -4.90 113.70 115.56 1nh5 s SER 52 Ca 0.28 -0.53 0.18 0.00 0.70 0.00 0.00 55.95 56.58 1nh5 s SER 52 Cb 0.01 -0.85 0.39 0.00 -1.71 0.00 0.00 66.02 63.86 1nh5 s SER 52 CO 0.11 0.07 1.18 -0.90 1.20 0.00 0.00 173.24 174.90 1nh5 n ASP 53 N -0.23 1.28 -2.38 5.45 5.75 -1.26 -0.50 116.55 124.66 1nh5 n ASP 53 Ca -0.09 -2.80 -0.24 0.00 -0.01 0.00 0.00 54.79 51.65 1nh5 n ASP 53 Cb 0.56 -0.39 0.01 0.00 -1.03 0.00 0.00 41.12 40.27 1nh5 n ASP 53 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1nh5 n SER 54 N -0.26 4.43 -3.62 -1.12 3.41 -1.26 -4.94 113.62 110.25 1nh5 n SER 54 Ca 0.11 -3.60 -0.20 0.00 -0.26 0.00 0.00 58.87 54.92 1nh5 n SER 54 Cb 0.91 -0.43 0.05 0.00 -0.26 0.00 0.00 64.21 64.48 1nh5 n SER 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nh5 n ALA 55 N -0.52 -1.99 -3.43 7.33 0.00 -1.26 -2.56 120.51 118.08 1nh5 n ALA 55 Ca 0.37 -0.12 -0.21 0.00 0.00 0.00 0.00 53.44 53.48 1nh5 n ALA 55 Cb 0.76 -2.18 0.06 0.00 0.00 0.00 0.00 19.45 18.09 1nh5 n ALA 55 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1nh5 n THR 56 N -4.24 -7.71 0.36 0.00 -1.04 -1.26 -4.88 114.28 95.51 1nh5 n THR 56 Ca -0.29 -1.16 0.12 0.00 -2.04 0.00 0.00 64.05 60.69 1nh5 n THR 56 Cb 0.67 -5.59 0.22 0.00 -1.82 0.00 0.00 70.33 63.81 1nh5 n THR 56 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1nh5 h ASN 57 N -1.43 0.00 -3.11 8.00 7.08 -1.92 -3.31 115.58 120.89 1nh5 h ASN 57 Ca -0.63 -0.02 -0.63 0.00 -3.08 0.00 0.00 56.30 51.94 1nh5 h ASN 57 Cb 1.33 0.00 -0.12 0.00 -2.08 0.00 0.00 38.32 37.45 1nh5 h ASN 57 CO 0.46 0.01 -0.68 -0.63 -2.08 0.00 0.00 177.43 174.51 1nh5 s ILE 58 N -3.19 3.66 0.27 6.14 1.01 -1.26 -4.12 121.20 123.71 1nh5 s ILE 58 Ca 0.07 -1.34 -0.09 0.00 0.00 0.00 0.00 60.65 59.29 1nh5 s ILE 58 Cb 0.09 -2.79 0.44 0.00 0.01 0.00 0.00 42.46 40.20 1nh5 s ILE 58 CO 0.67 -0.03 1.56 0.00 0.00 0.00 0.00 174.94 177.14