#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 -0.33 0.00 3.14 1.11 -1.26 -0.47 116.67 118.86 1nh5 s ASP 2 Ca 0.00 0.83 0.00 0.00 0.18 0.00 0.00 52.55 53.56 1nh5 s ASP 2 Cb 0.00 0.84 0.00 0.00 1.07 0.00 0.00 42.92 44.83 1nh5 s ASP 2 CO 0.00 -0.20 0.00 0.61 1.18 0.00 0.00 175.17 176.76 1nh5 n GLY 3 N 4.62 -0.59 2.98 0.21 0.00 -1.18 -5.03 105.19 106.20 1nh5 n GLY 3 Ca -0.19 -0.57 -0.31 0.00 0.00 0.00 0.00 46.02 44.96 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 -3.14 3.44 0.26 1.61 1.51 -0.16 -2.81 117.35 118.05 1nh5 s TYR 4 Ca 0.00 -3.03 -0.30 0.00 -1.01 0.00 0.00 57.07 52.73 1nh5 s TYR 4 Cb 0.00 -2.83 -0.09 0.00 -0.11 0.00 0.00 41.96 38.93 1nh5 s TYR 4 CO 0.00 -0.86 1.09 -1.25 -1.11 0.00 0.00 175.55 173.42 1nh5 s PRO 5 N 0.42 4.64 -0.00 -1.71 0.04 -1.26 -0.77 135.00 136.36 1nh5 s PRO 5 Ca 0.14 1.77 0.02 0.00 0.04 0.00 0.00 61.00 62.96 1nh5 s PRO 5 Cb -0.22 -3.21 -0.00 0.00 0.04 0.00 0.00 34.50 31.10 1nh5 s PRO 5 CO -0.05 0.20 -0.06 0.14 0.04 0.00 0.00 177.00 177.27 1nh5 s VAL 6 N -0.96 0.48 0.00 -0.36 -7.23 -1.24 -4.81 120.40 106.28 1nh5 s VAL 6 Ca 0.45 -0.27 0.00 0.00 -1.81 0.00 0.00 61.98 60.35 1nh5 s VAL 6 Cb -0.31 -0.41 0.00 0.00 0.56 0.00 0.00 36.38 36.22 1nh5 s VAL 6 CO 0.39 0.13 0.00 -0.90 -0.31 0.00 0.00 175.10 174.41 1nh5 n ASP 7 N 2.91 0.00 0.05 4.85 5.68 -1.26 -4.72 116.55 124.06 1nh5 n ASP 7 Ca -0.13 0.00 -0.08 0.00 -0.50 0.00 0.00 54.79 54.07 1nh5 n ASP 7 Cb 0.58 0.23 -0.13 0.00 -1.14 0.00 0.00 41.12 40.66 1nh5 n ASP 7 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1nh5 h SER 8 N 0.00 0.05 1.24 -1.12 4.64 -1.99 -3.05 113.55 113.32 1nh5 h SER 8 Ca 0.00 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1nh5 h SER 8 Cb 0.00 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1nh5 h SER 8 CO 0.00 1.05 0.00 2.29 -0.87 0.00 0.00 176.83 179.30 1nh5 n LYS 9 N -3.30 0.22 0.00 4.77 0.00 -1.26 -4.92 118.16 113.66 1nh5 n LYS 9 Ca -0.05 0.24 0.00 0.00 -0.00 0.00 0.00 58.31 58.50 1nh5 n LYS 9 Cb 0.98 -1.78 0.00 0.00 -0.00 0.00 0.00 35.03 34.22 1nh5 n LYS 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1nh5 n GLY 10 N 0.99 2.02 3.29 2.58 0.00 -1.15 -4.77 105.19 108.16 1nh5 n GLY 10 Ca 0.05 -0.19 -0.15 0.00 0.00 0.00 0.00 46.02 45.73 1nh5 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nh5 s LYS 12 N -3.99 3.33 0.21 0.00 2.20 -1.26 -4.93 119.74 115.29 1nh5 s LYS 12 Ca 0.33 1.14 0.23 0.00 -0.36 0.00 0.00 55.97 57.31 1nh5 s LYS 12 Cb 0.07 -2.04 0.15 0.00 -1.51 0.00 0.00 37.83 34.50 1nh5 s LYS 12 CO 0.10 -0.80 1.20 -0.07 -0.36 0.00 0.00 175.35 175.43 1nh5 h LEU 13 N 0.32 0.00 -2.46 5.43 -0.00 -1.94 -3.38 115.31 113.28 1nh5 h LEU 13 Ca -0.46 -0.06 -0.04 0.00 -0.00 0.00 0.00 57.88 57.31 1nh5 h LEU 13 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.88 1nh5 h LEU 13 CO 0.58 0.03 -0.80 -1.20 -0.00 0.00 0.00 178.44 177.04 1nh5 n SER 14 N -2.57 -7.62 -4.75 -0.43 7.64 -1.26 -4.92 113.62 99.71 1nh5 n SER 14 Ca 0.01 0.79 -0.36 0.00 1.01 0.00 0.00 58.87 60.32 1nh5 n SER 14 Cb 0.51 -4.66 0.04 0.00 -1.01 0.00 0.00 64.21 59.10 1nh5 n SER 14 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nh5 n VAL 16 N -1.58 1.05 -3.50 0.00 0.31 -1.26 -4.75 118.33 108.59 1nh5 n VAL 16 Ca 0.14 -1.24 -0.13 0.00 -0.01 0.00 0.00 64.34 63.10 1nh5 n VAL 16 Cb 0.49 0.19 -0.04 0.00 -0.91 0.00 0.00 33.84 33.56 1nh5 n VAL 16 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1nh5 s ALA 17 N -1.53 -1.78 -0.08 3.52 0.00 -1.26 -5.08 121.76 115.56 1nh5 s ALA 17 Ca 0.15 1.11 -0.26 0.00 0.00 0.00 0.00 51.96 52.96 1nh5 s ALA 17 Cb 0.14 0.16 -0.25 0.00 0.00 0.00 0.00 23.12 23.16 1nh5 s ALA 17 CO 0.01 -0.52 0.94 -0.91 0.00 0.00 0.00 175.76 175.28 1nh5 h ASN 18 N 2.44 0.14 -0.25 0.00 4.21 -1.98 -3.12 115.58 117.03 1nh5 h ASN 18 Ca -0.26 -0.85 -0.05 0.00 1.21 0.00 0.00 56.30 56.35 1nh5 h ASN 18 Cb 1.21 -0.04 -0.02 0.00 -1.12 0.00 0.00 38.32 38.35 1nh5 h ASN 18 CO 0.35 0.97 -0.00 -0.55 -1.29 0.00 0.00 177.43 176.91 1nh5 h ASN 19 N -0.68 0.53 -0.88 5.81 -1.07 -1.98 -0.39 115.58 116.93 1nh5 h ASN 19 Ca -0.03 -0.11 0.02 0.00 0.07 0.00 0.00 56.30 56.26 1nh5 h ASN 19 Cb 1.01 -0.14 -0.05 0.00 -2.07 0.00 0.00 38.32 37.07 1nh5 h ASN 19 CO 0.04 0.60 0.58 0.22 0.07 0.00 0.00 177.43 178.94 1nh5 h TYR 20 N 0.54 1.09 0.04 4.14 3.20 -1.98 -1.59 116.97 122.41 1nh5 h TYR 20 Ca 0.11 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 1nh5 h TYR 20 Cb 0.35 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 38.26 1nh5 h TYR 20 CO 0.01 0.66 -0.02 0.00 -1.64 0.00 0.00 178.16 177.17 1nh5 h ASP 22 N -0.68 -1.34 -0.18 0.00 3.58 -0.72 0.93 116.42 118.02 1nh5 h ASP 22 Ca -0.01 0.14 -0.04 0.00 0.42 0.00 0.00 57.03 57.54 1nh5 h ASP 22 Cb 0.60 0.49 -0.02 0.00 1.72 0.00 0.00 39.33 42.12 1nh5 h ASP 22 CO 0.01 -0.53 -0.01 -0.55 -2.88 0.00 0.00 179.24 175.29 1nh5 h ASN 23 N -0.72 0.41 0.69 2.28 7.08 -1.46 -0.72 115.58 123.14 1nh5 h ASN 23 Ca 0.00 -0.07 -0.12 0.00 -3.08 0.00 0.00 56.30 53.03 1nh5 h ASN 23 Cb 0.72 -0.11 -0.02 0.00 -2.08 0.00 0.00 38.32 36.84 1nh5 h ASN 23 CO -0.23 0.49 -0.58 -0.61 -2.08 0.00 0.00 177.43 174.42 1nh5 h GLN 24 N 0.43 0.00 0.03 4.14 4.15 -1.13 -2.59 115.11 120.14 1nh5 h GLN 24 Ca 0.10 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.51 1nh5 h GLN 24 Cb 0.29 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.98 1nh5 h GLN 24 CO 0.01 0.58 -0.02 0.00 -1.93 0.00 0.00 178.83 177.47 1nh5 h LYS 26 N -0.97 0.00 0.00 0.00 2.10 -1.12 0.16 116.57 116.74 1nh5 h LYS 26 Ca -0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.62 1nh5 h LYS 26 Cb 0.58 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.91 1nh5 h LYS 26 CO 0.01 0.07 -0.12 0.00 -2.00 0.00 0.00 179.45 177.41 1nh5 h MET 27 N 0.00 0.00 0.00 0.07 -0.00 -1.65 -3.42 114.93 109.93 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 0.81 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.41 1nh5 h MET 27 CO 0.01 0.12 0.00 1.17 -0.00 0.00 0.00 176.91 178.20 1nh5 n LYS 28 N -4.00 0.00 -0.15 -0.10 0.00 -1.11 -4.98 118.16 107.82 1nh5 n LYS 28 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 58.31 58.22 1nh5 n LYS 28 Cb 0.20 0.00 0.02 0.00 0.00 0.00 0.00 35.03 35.25 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 0.54 0.00 1.64 1.79 -1.24 -3.46 116.57 115.84 1nh5 h LYS 29 Ca 0.00 -0.03 -0.45 0.00 -2.18 0.00 0.00 60.65 57.98 1nh5 h LYS 29 Cb 0.00 -0.12 -0.12 0.00 -1.58 0.00 0.00 32.23 30.41 1nh5 h LYS 29 CO 0.00 0.36 -0.44 0.00 -1.08 0.00 0.00 179.45 178.29 1nh5 n ALA 30 N -2.24 0.66 0.07 3.86 0.00 0.36 -4.36 120.51 118.85 1nh5 n ALA 30 Ca 0.02 -1.86 -0.17 0.00 0.00 0.00 0.00 53.44 51.42 1nh5 n ALA 30 Cb 0.05 1.51 -0.14 0.00 0.00 0.00 0.00 19.45 20.87 1nh5 n ALA 30 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1nh5 h SER 31 N 1.97 0.42 -2.35 0.00 4.64 -1.11 -3.37 113.55 113.75 1nh5 h SER 31 Ca -0.23 -0.55 -0.09 0.00 -0.47 0.00 0.00 61.79 60.46 1nh5 h SER 31 Cb 1.15 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 63.09 1nh5 h SER 31 CO 0.33 1.45 -0.03 0.61 -0.87 0.00 0.00 176.83 178.32 1nh5 n GLY 32 N 1.65 2.58 0.00 -0.77 0.00 -0.23 -4.66 105.19 103.75 1nh5 n GLY 32 Ca -0.15 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.46 1nh5 n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nh5 n GLY 33 N -0.21 1.09 3.15 -0.02 0.00 -1.26 -0.47 105.19 107.47 1nh5 n GLY 33 Ca -0.00 -0.64 -0.09 0.00 0.00 0.00 0.00 46.02 45.28 1nh5 n GLY 33 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1nh5 s HIS 34 N -2.00 0.22 -0.68 1.61 3.76 -0.18 -4.21 115.29 113.81 1nh5 s HIS 34 Ca 0.00 -0.60 -0.22 0.00 -0.15 0.00 0.00 55.06 54.09 1nh5 s HIS 34 Cb 0.00 -0.14 0.07 0.00 1.11 0.00 0.00 32.58 33.62 1nh5 s HIS 34 CO 0.00 -0.44 0.99 0.00 -0.85 0.00 0.00 174.74 174.44 1nh5 s TYR 36 N 4.01 3.52 0.35 0.00 5.04 -0.88 -4.93 117.35 124.46 1nh5 s TYR 36 Ca 0.23 1.36 0.08 0.00 -2.44 0.00 0.00 57.07 56.30 1nh5 s TYR 36 Cb -0.16 -2.76 0.77 0.00 0.35 0.00 0.00 41.96 40.16 1nh5 s TYR 36 CO 0.09 -0.65 1.88 0.00 -1.34 0.00 0.00 175.55 175.53 1nh5 h ALA 37 N 0.04 1.78 -0.07 3.97 0.00 -1.96 -0.38 119.26 122.63 1nh5 h ALA 37 Ca -0.45 0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.26 1nh5 h ALA 37 Cb 1.19 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.85 1nh5 h ALA 37 CO 0.61 0.01 -0.77 0.52 0.00 0.00 0.00 179.25 179.62 1nh5 h MET 38 N 0.74 0.64 -1.45 0.00 2.86 -1.94 -3.49 114.93 112.29 1nh5 h MET 38 Ca 0.43 -0.60 0.40 0.00 -2.06 0.00 0.00 59.70 57.87 1nh5 h MET 38 Cb 0.61 0.15 -0.11 0.00 0.06 0.00 0.00 31.60 32.30 1nh5 h MET 38 CO -0.19 1.21 1.00 -1.12 1.06 0.00 0.00 176.91 178.87 1nh5 s SER 39 N -7.01 -0.00 -0.18 1.22 0.01 -0.15 -4.74 113.70 102.85 1nh5 s SER 39 Ca -0.11 -0.02 -0.29 0.00 1.31 0.00 0.00 55.95 56.84 1nh5 s SER 39 Cb 0.06 0.02 -0.04 0.00 0.21 0.00 0.00 66.02 66.27 1nh5 s SER 39 CO 0.88 -0.03 1.67 0.00 0.41 0.00 0.00 173.24 176.17 1nh5 s TYR 41 N 5.12 3.09 0.33 0.00 5.04 0.07 -4.76 117.35 126.24 1nh5 s TYR 41 Ca 0.74 -1.08 -0.19 0.00 -2.44 0.00 0.00 57.07 54.10 1nh5 s TYR 41 Cb -0.28 -3.94 -0.10 0.00 0.35 0.00 0.00 41.96 38.00 1nh5 s TYR 41 CO 0.30 -1.20 0.82 0.00 -1.34 0.00 0.00 175.55 174.13 1nh5 s GLU 43 N -2.73 0.43 -0.37 0.00 2.02 0.38 -3.09 118.70 115.35 1nh5 s GLU 43 Ca 0.54 -0.13 -0.00 0.00 0.02 0.00 0.00 54.97 55.40 1nh5 s GLU 43 Cb -0.12 -0.45 -0.00 0.00 0.10 0.00 0.00 34.13 33.65 1nh5 s GLU 43 CO 0.18 0.05 0.35 0.41 0.02 0.00 0.00 175.26 176.26 1nh5 n GLY 44 N 3.27 -0.66 3.94 -1.39 0.00 -1.19 -1.07 105.19 108.08 1nh5 n GLY 44 Ca -0.17 0.12 -0.25 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.11 4.27 0.58 0.99 1.43 0.38 -1.51 118.68 121.71 1nh5 s LEU 45 Ca 0.03 0.25 -0.16 0.00 -1.03 0.00 0.00 54.13 53.22 1nh5 s LEU 45 Cb -0.00 -3.02 -0.05 0.00 0.03 0.00 0.00 46.19 43.15 1nh5 s LEU 45 CO 0.36 -0.03 1.05 -2.16 0.23 0.00 0.00 176.35 175.79 1nh5 s PRO 46 N -3.51 3.43 0.22 1.29 0.04 -1.26 -3.64 135.00 131.57 1nh5 s PRO 46 Ca 0.36 1.18 0.26 0.00 0.04 0.00 0.00 61.00 62.85 1nh5 s PRO 46 Cb -0.10 -2.05 0.79 0.00 0.04 0.00 0.00 34.50 33.18 1nh5 s PRO 46 CO 0.29 -0.71 1.77 0.39 0.04 0.00 0.00 177.00 178.78 1nh5 n GLU 47 N -1.89 0.27 0.20 4.56 1.02 -1.26 -2.83 120.64 120.71 1nh5 n GLU 47 Ca 0.08 0.22 0.07 0.00 -0.02 0.00 0.00 57.16 57.51 1nh5 n GLU 47 Cb 0.53 -1.82 0.37 0.00 -0.02 0.00 0.00 31.44 30.51 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 0.00 0.00 -3.23 1.62 -1.07 -2.03 -3.42 115.58 107.46 1nh5 h ASN 48 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 56.30 55.79 1nh5 h ASN 48 Cb 0.75 0.00 -0.07 0.00 -2.07 0.00 0.00 38.32 36.93 1nh5 h ASN 48 CO 0.00 0.33 0.55 0.00 0.07 0.00 0.00 177.43 178.38 1nh5 s ALA 49 N -3.64 3.61 0.46 4.14 0.00 -1.13 -5.03 121.76 120.16 1nh5 s ALA 49 Ca 0.00 0.04 -0.21 0.00 0.00 0.00 0.00 51.96 51.79 1nh5 s ALA 49 Cb 0.11 -3.36 -0.09 0.00 0.00 0.00 0.00 23.12 19.78 1nh5 s ALA 49 CO 0.67 -0.86 1.01 -1.59 0.00 0.00 0.00 175.76 174.99 1nh5 s LYS 50 N 2.69 3.98 0.03 0.00 0.00 -1.26 -4.96 119.74 120.22 1nh5 s LYS 50 Ca 0.40 1.31 0.02 0.00 0.00 0.00 0.00 55.97 57.70 1nh5 s LYS 50 Cb -0.16 -2.19 -0.02 0.00 0.00 0.00 0.00 37.83 35.47 1nh5 s LYS 50 CO 0.09 -0.27 -0.08 0.14 0.00 0.00 0.00 175.35 175.23 1nh5 s VAL 51 N -1.99 0.57 0.45 1.79 -7.23 -1.26 -3.64 120.40 109.08 1nh5 s VAL 51 Ca 0.64 -0.90 -0.15 0.00 -1.81 0.00 0.00 61.98 59.77 1nh5 s VAL 51 Cb -0.15 -0.59 -0.08 0.00 0.56 0.00 0.00 36.38 36.12 1nh5 s VAL 51 CO 0.19 -0.25 0.88 -0.55 -0.31 0.00 0.00 175.10 175.06 1nh5 s SER 52 N -1.24 6.63 -0.26 4.85 0.15 0.05 -4.84 113.70 119.04 1nh5 s SER 52 Ca -0.06 1.40 0.15 0.00 0.70 0.00 0.00 55.95 58.14 1nh5 s SER 52 Cb -0.08 -2.43 0.40 0.00 -1.71 0.00 0.00 66.02 62.19 1nh5 s SER 52 CO 0.00 -0.46 1.34 -0.90 1.20 0.00 0.00 173.24 174.42 1nh5 n ASP 53 N -1.28 -0.37 -2.89 5.45 5.75 -1.26 -0.99 116.55 120.96 1nh5 n ASP 53 Ca 0.05 -2.12 -0.13 0.00 -0.01 0.00 0.00 54.79 52.58 1nh5 n ASP 53 Cb 0.54 0.24 0.04 0.00 -1.03 0.00 0.00 41.12 40.91 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 -0.99 -1.41 -3.49 -1.12 3.41 -1.26 -4.99 113.62 103.78 1nh5 n SER 54 Ca -0.10 -3.36 -0.20 0.00 -0.26 0.00 0.00 58.87 54.95 1nh5 n SER 54 Cb 0.85 1.02 0.06 0.00 -0.26 0.00 0.00 64.21 65.89 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 0.68 -2.28 0.00 7.33 0.00 -1.26 -3.77 120.51 121.21 1nh5 n ALA 55 Ca 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1nh5 n ALA 55 Cb 0.66 -3.79 0.00 0.00 0.00 0.00 0.00 19.45 16.32 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 -3.87 0.00 -3.98 0.00 -1.04 -1.26 -4.66 114.28 99.47 1nh5 n THR 56 Ca -0.18 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.50 1nh5 n THR 56 Cb 0.64 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 69.08 1nh5 n THR 56 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1nh5 n ASN 57 N 3.71 -0.99 -3.89 8.00 6.94 -1.25 -4.86 115.26 122.91 1nh5 n ASN 57 Ca 0.00 -1.02 -0.10 0.00 -0.02 0.00 0.00 54.58 53.44 1nh5 n ASN 57 Cb 0.00 -1.30 -0.09 0.00 -2.36 0.00 0.00 39.78 36.03 1nh5 n ASN 57 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1nh5 s ILE 58 N -3.11 0.12 0.19 1.53 1.01 -1.26 -5.06 121.20 114.63 1nh5 s ILE 58 Ca 0.53 -1.01 -0.24 0.00 0.00 0.00 0.00 60.65 59.93 1nh5 s ILE 58 Cb -0.31 -0.91 0.08 0.00 0.01 0.00 0.00 42.46 41.32 1nh5 s ILE 58 CO 0.83 -0.56 1.53 0.00 0.00 0.00 0.00 174.94 176.74