#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 3.16 0.00 3.14 1.01 -1.26 -0.57 116.67 122.14 1nh5 s ASP 2 Ca 0.00 -0.86 0.00 0.00 0.71 0.00 0.00 52.55 52.40 1nh5 s ASP 2 Cb 0.00 -0.22 0.00 0.00 1.01 0.00 0.00 42.92 43.71 1nh5 s ASP 2 CO 0.00 0.07 0.00 0.61 0.21 0.00 0.00 175.17 176.06 1nh5 n GLY 3 N 0.32 -0.01 3.26 0.21 0.00 -0.70 -4.96 105.19 103.31 1nh5 n GLY 3 Ca -0.13 -1.15 -0.39 0.00 0.00 0.00 0.00 46.02 44.35 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 -3.81 3.33 0.08 1.61 2.02 -0.24 -0.36 117.35 119.98 1nh5 s TYR 4 Ca 0.00 -1.56 -0.30 0.00 -0.37 0.00 0.00 57.07 54.84 1nh5 s TYR 4 Cb 0.00 -2.73 -0.06 0.00 -0.40 0.00 0.00 41.96 38.78 1nh5 s TYR 4 CO 0.00 -0.81 1.16 -1.25 -1.57 0.00 0.00 175.55 173.07 1nh5 s PRO 5 N 1.39 4.48 -0.22 -1.71 0.04 -1.26 -0.44 135.00 137.28 1nh5 s PRO 5 Ca 0.02 1.72 -0.10 0.00 0.04 0.00 0.00 61.00 62.68 1nh5 s PRO 5 Cb -0.22 -3.34 0.08 0.00 0.04 0.00 0.00 34.50 31.06 1nh5 s PRO 5 CO 0.02 -0.17 0.51 0.54 0.04 0.00 0.00 177.00 177.93 1nh5 s VAL 6 N 0.80 -0.37 0.03 -0.36 0.11 0.07 -4.71 120.40 115.97 1nh5 s VAL 6 Ca 0.56 0.08 0.00 0.00 -2.93 0.00 0.00 61.98 59.69 1nh5 s VAL 6 Cb -0.29 -0.77 0.00 0.00 -1.53 0.00 0.00 36.38 33.80 1nh5 s VAL 6 CO 0.30 0.03 0.00 -0.90 -3.33 0.00 0.00 175.10 171.21 1nh5 n ASP 7 N 4.82 -0.29 0.10 3.54 5.68 -1.26 -4.35 116.55 124.79 1nh5 n ASP 7 Ca -0.16 0.11 -0.19 0.00 -0.50 0.00 0.00 54.79 54.05 1nh5 n ASP 7 Cb 0.53 0.48 -0.15 0.00 -1.14 0.00 0.00 41.12 40.84 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 0.55 1.72 -1.12 4.64 -1.96 -3.28 113.55 114.09 1nh5 h SER 8 Ca 0.00 -0.65 0.00 0.00 -0.47 0.00 0.00 61.79 60.67 1nh5 h SER 8 Cb 0.00 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 61.91 1nh5 h SER 8 CO 0.00 1.52 -0.01 0.07 -0.87 0.00 0.00 176.83 177.55 1nh5 h LYS 9 N 0.10 0.00 0.00 4.77 2.10 -1.93 -3.47 116.57 118.14 1nh5 h LYS 9 Ca -0.22 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.43 1nh5 h LYS 9 Cb 2.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.38 1nh5 h LYS 9 CO 0.21 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 178.07 1nh5 n GLY 10 N 1.21 2.31 3.39 0.07 0.00 -1.24 -4.87 105.19 106.06 1nh5 n GLY 10 Ca 0.05 -0.43 -0.19 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.85 2.48 -0.48 0.00 -0.14 -1.26 -4.94 119.74 111.55 1nh5 s LYS 12 Ca 0.32 1.63 -0.25 0.00 -1.36 0.00 0.00 55.97 56.30 1nh5 s LYS 12 Cb 0.06 -1.89 0.03 0.00 -1.68 0.00 0.00 37.83 34.35 1nh5 s LYS 12 CO 0.12 -1.55 0.93 -0.51 -0.76 0.00 0.00 175.35 173.58 1nh5 s LEU 13 N -4.92 4.02 -0.87 3.17 1.43 -1.26 -4.98 118.68 115.27 1nh5 s LEU 13 Ca 0.72 0.05 -0.23 0.00 -1.03 0.00 0.00 54.13 53.63 1nh5 s LEU 13 Cb -0.26 -3.14 0.06 0.00 0.03 0.00 0.00 46.19 42.89 1nh5 s LEU 13 CO 0.42 -1.08 1.26 -0.94 0.23 0.00 0.00 176.35 176.24 1nh5 s SER 14 N 2.35 6.38 0.20 2.29 1.04 -1.26 -1.29 113.70 123.41 1nh5 s SER 14 Ca 0.36 -1.23 -0.32 0.00 0.48 0.00 0.00 55.95 55.25 1nh5 s SER 14 Cb -0.10 -2.51 -0.11 0.00 0.10 0.00 0.00 66.02 63.40 1nh5 s SER 14 CO 0.25 -1.49 1.64 0.00 0.98 0.00 0.00 173.24 174.62 1nh5 n VAL 16 N 3.72 0.00 -3.63 0.00 3.14 -1.26 -4.94 118.33 115.36 1nh5 n VAL 16 Ca 0.14 -0.11 -0.10 0.00 -2.96 0.00 0.00 64.34 61.31 1nh5 n VAL 16 Cb 0.37 0.99 -0.03 0.00 -1.06 0.00 0.00 33.84 34.11 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 -2.77 -1.15 0.21 1.55 0.00 -1.26 -5.04 121.76 113.31 1nh5 s ALA 17 Ca 0.13 0.02 -0.09 0.00 0.00 0.00 0.00 51.96 52.02 1nh5 s ALA 17 Cb 0.17 0.83 0.17 0.00 0.00 0.00 0.00 23.12 24.29 1nh5 s ALA 17 CO 0.72 -0.78 1.86 -0.91 0.00 0.00 0.00 175.76 176.65 1nh5 h ASN 18 N 2.16 0.95 1.10 0.00 2.35 -1.92 -1.21 115.58 119.01 1nh5 h ASN 18 Ca -0.31 -0.06 -0.12 0.00 -0.55 0.00 0.00 56.30 55.26 1nh5 h ASN 18 Cb 1.27 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 39.39 1nh5 h ASN 18 CO 0.38 0.73 -0.59 -0.55 -1.65 0.00 0.00 177.43 175.76 1nh5 h ASN 19 N 1.09 0.00 -0.57 5.81 -1.07 -1.97 -3.28 115.58 115.59 1nh5 h ASN 19 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.66 1nh5 h ASN 19 Cb -0.05 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.17 1nh5 h ASN 19 CO -0.05 0.59 0.37 0.22 0.07 0.00 0.00 177.43 178.63 1nh5 h TYR 20 N 0.00 0.73 -0.68 4.14 5.03 -1.62 0.83 116.97 125.40 1nh5 h TYR 20 Ca -0.01 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.31 1nh5 h TYR 20 Cb 1.30 -0.25 -0.03 0.00 1.55 0.00 0.00 36.73 39.31 1nh5 h TYR 20 CO 0.00 0.47 0.39 0.00 -1.32 0.00 0.00 178.16 177.70 1nh5 h ASP 22 N 0.93 -0.30 0.15 0.00 1.82 -0.96 0.44 116.42 118.50 1nh5 h ASP 22 Ca 0.24 -0.03 -0.11 0.00 -0.39 0.00 0.00 57.03 56.74 1nh5 h ASP 22 Cb 0.01 0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.08 1nh5 h ASP 22 CO -0.04 -0.16 -0.38 -0.55 -1.61 0.00 0.00 179.24 176.50 1nh5 h ASN 23 N -0.41 0.33 -0.29 2.28 -1.07 -1.56 -1.04 115.58 113.81 1nh5 h ASN 23 Ca -0.04 -0.13 -0.09 0.00 0.07 0.00 0.00 56.30 56.11 1nh5 h ASN 23 Cb 0.31 -0.09 -0.02 0.00 -2.07 0.00 0.00 38.32 36.46 1nh5 h ASN 23 CO 0.06 0.68 -0.14 -0.61 0.07 0.00 0.00 177.43 177.49 1nh5 h GLN 24 N 0.27 0.72 0.02 4.14 4.15 -0.34 -0.46 115.11 123.61 1nh5 h GLN 24 Ca 0.03 -0.25 -0.05 0.00 0.77 0.00 0.00 58.65 59.15 1nh5 h GLN 24 Cb 0.79 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.43 1nh5 h GLN 24 CO 0.06 0.83 -0.19 0.00 -1.93 0.00 0.00 178.83 177.60 1nh5 n LYS 26 N -4.52 0.10 -0.31 0.00 2.85 -0.42 -0.83 118.16 115.03 1nh5 n LYS 26 Ca -0.10 0.08 0.13 0.00 -1.05 0.00 0.00 58.31 57.36 1nh5 n LYS 26 Cb 0.53 -1.50 0.28 0.00 -0.65 0.00 0.00 35.03 33.69 1nh5 n LYS 26 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 177.40 179.33 1nh5 h MET 27 N 0.00 0.10 0.00 -1.58 4.05 -1.13 -3.44 114.93 112.93 1nh5 h MET 27 Ca 0.00 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1nh5 h MET 27 Cb 0.36 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.14 1nh5 h MET 27 CO 0.00 0.06 0.00 1.17 0.23 0.00 0.00 176.91 178.37 1nh5 n LYS 28 N -5.35 0.00 0.14 0.39 0.00 -1.00 -5.00 118.16 107.34 1nh5 n LYS 28 Ca 0.22 0.00 -0.14 0.00 0.00 0.00 0.00 58.31 58.39 1nh5 n LYS 28 Cb 0.71 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.67 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 -0.31 0.00 1.64 6.56 -1.43 -3.47 116.57 119.56 1nh5 h LYS 29 Ca 0.00 0.02 -0.38 0.00 -1.06 0.00 0.00 60.65 59.23 1nh5 h LYS 29 Cb 0.00 0.07 -0.09 0.00 -0.57 0.00 0.00 32.23 31.64 1nh5 h LYS 29 CO 0.00 -0.21 -0.34 0.00 -2.06 0.00 0.00 179.45 176.85 1nh5 n ALA 30 N -2.28 0.45 0.07 3.86 0.00 -0.01 -4.35 120.51 118.25 1nh5 n ALA 30 Ca -0.09 -1.46 -0.17 0.00 0.00 0.00 0.00 53.44 51.73 1nh5 n ALA 30 Cb 0.16 1.05 -0.14 0.00 0.00 0.00 0.00 19.45 20.53 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 1.28 0.41 -0.40 0.00 0.87 -0.43 -3.37 113.55 111.92 1nh5 h SER 31 Ca -0.21 -0.56 0.00 0.00 -1.23 0.00 0.00 61.79 59.80 1nh5 h SER 31 Cb 0.87 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.69 1nh5 h SER 31 CO 0.32 1.46 0.00 0.61 -0.53 0.00 0.00 176.83 178.69 1nh5 n GLY 32 N 1.66 2.89 0.00 5.77 0.00 0.08 -4.62 105.19 110.97 1nh5 n GLY 32 Ca -0.16 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 44.94 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 0.00 1.30 3.12 -0.02 0.00 -1.26 -0.39 105.19 107.95 1nh5 n GLY 33 Ca 0.00 -0.91 -0.10 0.00 0.00 0.00 0.00 46.02 45.01 1nh5 n GLY 33 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1nh5 s HIS 34 N -2.00 0.16 -0.95 1.61 -3.43 0.03 -4.00 115.29 106.70 1nh5 s HIS 34 Ca 0.00 -0.42 -0.21 0.00 -0.80 0.00 0.00 55.06 53.63 1nh5 s HIS 34 Cb 0.00 -0.11 0.09 0.00 -1.43 0.00 0.00 32.58 31.13 1nh5 s HIS 34 CO 0.00 -0.36 1.25 0.00 -2.00 0.00 0.00 174.74 173.63 1nh5 s TYR 36 N 3.73 2.94 0.28 0.00 5.04 -1.20 -4.93 117.35 123.21 1nh5 s TYR 36 Ca 0.37 1.56 -0.03 0.00 -2.44 0.00 0.00 57.07 56.53 1nh5 s TYR 36 Cb -0.04 -3.09 0.38 0.00 0.35 0.00 0.00 41.96 39.56 1nh5 s TYR 36 CO -0.08 -0.99 1.94 0.00 -1.34 0.00 0.00 175.55 175.08 1nh5 h ALA 37 N 1.33 1.37 0.11 3.97 0.00 -1.98 -2.30 119.26 121.76 1nh5 h ALA 37 Ca -0.49 -0.06 -0.29 0.00 0.00 0.00 0.00 54.91 54.07 1nh5 h ALA 37 Cb 1.23 -0.35 0.03 0.00 0.00 0.00 0.00 17.79 18.69 1nh5 h ALA 37 CO 0.58 0.56 -1.23 1.98 0.00 0.00 0.00 179.25 181.15 1nh5 h MET 38 N 1.21 0.61 -2.50 0.00 -1.53 -1.98 -3.48 114.93 107.26 1nh5 h MET 38 Ca 0.35 -0.80 0.07 0.00 -3.44 0.00 0.00 59.70 55.88 1nh5 h MET 38 Cb -0.08 0.26 -0.14 0.00 -0.55 0.00 0.00 31.60 31.09 1nh5 h MET 38 CO -0.09 1.36 0.41 -1.12 0.14 0.00 0.00 176.91 177.61 1nh5 s SER 39 N -7.40 -0.43 -0.37 1.39 0.01 -0.86 -4.89 113.70 101.15 1nh5 s SER 39 Ca -0.09 0.00 -0.27 0.00 1.31 0.00 0.00 55.95 56.90 1nh5 s SER 39 Cb 0.06 0.45 -0.04 0.00 0.21 0.00 0.00 66.02 66.70 1nh5 s SER 39 CO 0.93 -0.73 2.09 0.00 0.41 0.00 0.00 173.24 175.94 1nh5 s TYR 41 N 8.94 2.62 0.40 0.00 5.04 -0.83 -4.53 117.35 128.98 1nh5 s TYR 41 Ca 0.89 0.01 -0.05 0.00 -2.44 0.00 0.00 57.07 55.48 1nh5 s TYR 41 Cb -0.23 -4.34 -0.04 0.00 0.35 0.00 0.00 41.96 37.69 1nh5 s TYR 41 CO 0.30 -1.61 0.69 0.00 -1.34 0.00 0.00 175.55 173.59 1nh5 s GLU 43 N -4.28 0.48 -0.33 0.00 2.02 0.48 -1.71 118.70 115.36 1nh5 s GLU 43 Ca 0.46 -0.07 -0.02 0.00 0.02 0.00 0.00 54.97 55.36 1nh5 s GLU 43 Cb -0.10 -0.54 -0.02 0.00 0.10 0.00 0.00 34.13 33.57 1nh5 s GLU 43 CO 0.38 -0.02 0.29 0.41 0.02 0.00 0.00 175.26 176.33 1nh5 n GLY 44 N 3.64 0.26 3.89 -1.39 0.00 -1.16 -0.74 105.19 109.70 1nh5 n GLY 44 Ca -0.21 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.69 3.73 0.48 0.99 1.43 0.26 -1.50 118.68 120.38 1nh5 s LEU 45 Ca 0.12 1.03 -0.21 0.00 -1.03 0.00 0.00 54.13 54.05 1nh5 s LEU 45 Cb -0.02 -3.95 -0.09 0.00 0.03 0.00 0.00 46.19 42.17 1nh5 s LEU 45 CO 0.23 -0.49 1.04 -2.16 0.23 0.00 0.00 176.35 175.20 1nh5 s PRO 46 N -4.29 3.84 0.30 1.29 0.04 -1.26 -4.18 135.00 130.75 1nh5 s PRO 46 Ca 0.49 1.38 0.26 0.00 0.04 0.00 0.00 61.00 63.17 1nh5 s PRO 46 Cb -0.10 -2.14 0.79 0.00 0.04 0.00 0.00 34.50 33.08 1nh5 s PRO 46 CO 0.38 -0.40 1.75 0.93 0.04 0.00 0.00 177.00 179.70 1nh5 h GLU 47 N 1.66 0.00 0.00 4.56 5.08 -1.98 -2.07 114.58 121.84 1nh5 h GLU 47 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1nh5 h GLU 47 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1nh5 h GLU 47 CO 0.59 0.00 0.00 -2.95 -1.00 0.00 0.00 179.01 175.65 1nh5 h ASN 48 N 0.00 0.00 -3.36 1.42 -1.07 -2.03 -3.43 115.58 107.10 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 0.71 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.92 1nh5 h ASN 48 CO 0.00 0.00 0.34 0.00 0.07 0.00 0.00 177.43 177.84 1nh5 s ALA 49 N -3.45 3.27 0.14 4.14 0.00 -0.78 -5.02 121.76 120.07 1nh5 s ALA 49 Ca 0.04 0.37 -0.29 0.00 0.00 0.00 0.00 51.96 52.07 1nh5 s ALA 49 Cb 0.07 -3.25 -0.07 0.00 0.00 0.00 0.00 23.12 19.87 1nh5 s ALA 49 CO 0.60 -0.30 0.94 0.21 0.00 0.00 0.00 175.76 177.20 1nh5 s LYS 50 N 1.23 4.72 0.07 0.00 2.36 -1.26 -4.95 119.74 121.92 1nh5 s LYS 50 Ca 0.47 1.43 0.07 0.00 -2.55 0.00 0.00 55.97 55.38 1nh5 s LYS 50 Cb -0.19 -3.35 -0.03 0.00 -1.05 0.00 0.00 37.83 33.21 1nh5 s LYS 50 CO 0.23 0.31 -0.18 0.14 1.55 0.00 0.00 175.35 177.40 1nh5 s VAL 51 N -0.36 1.41 0.22 4.02 -7.23 -1.26 -0.75 120.40 116.45 1nh5 s VAL 51 Ca 0.44 -1.32 0.04 0.00 -1.81 0.00 0.00 61.98 59.33 1nh5 s VAL 51 Cb -0.24 -1.29 -0.03 0.00 0.56 0.00 0.00 36.38 35.38 1nh5 s VAL 51 CO 0.30 -0.06 0.35 -0.55 -0.31 0.00 0.00 175.10 174.82 1nh5 s SER 52 N -1.61 6.33 -0.08 4.85 0.15 0.42 -4.91 113.70 118.86 1nh5 s SER 52 Ca 0.03 0.12 0.12 0.00 0.70 0.00 0.00 55.95 56.91 1nh5 s SER 52 Cb -0.09 -1.88 0.22 0.00 -1.71 0.00 0.00 66.02 62.55 1nh5 s SER 52 CO 0.03 -0.05 1.11 -0.90 1.20 0.00 0.00 173.24 174.63 1nh5 n ASP 53 N -1.19 1.23 -2.03 5.45 3.85 -1.26 -1.08 116.55 121.53 1nh5 n ASP 53 Ca -0.08 -2.66 -0.24 0.00 -0.71 0.00 0.00 54.79 51.11 1nh5 n ASP 53 Cb 0.56 -0.34 0.02 0.00 -1.35 0.00 0.00 41.12 40.01 1nh5 n ASP 53 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 1nh5 n SER 54 N -0.62 4.88 -3.35 -1.12 3.41 -1.26 -4.97 113.62 110.60 1nh5 n SER 54 Ca 0.09 -3.73 -0.18 0.00 -0.26 0.00 0.00 58.87 54.79 1nh5 n SER 54 Cb 0.73 -0.34 0.07 0.00 -0.26 0.00 0.00 64.21 64.41 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 -0.71 -2.45 -3.22 7.33 0.00 -1.26 -3.19 120.51 117.02 1nh5 n ALA 55 Ca 0.44 0.05 -0.11 0.00 0.00 0.00 0.00 53.44 53.82 1nh5 n ALA 55 Cb 0.97 -5.16 0.04 0.00 0.00 0.00 0.00 19.45 15.30 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 -3.49 -9.28 0.21 0.00 -1.04 -1.26 -4.89 114.28 94.53 1nh5 n THR 56 Ca -0.10 -0.92 0.11 0.00 -2.04 0.00 0.00 64.05 61.10 1nh5 n THR 56 Cb 0.62 -6.50 0.19 0.00 -1.82 0.00 0.00 70.33 62.81 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 -0.56 0.00 -3.54 8.00 -1.07 -1.97 -3.28 115.58 113.15 1nh5 h ASN 57 Ca -0.40 0.00 -0.68 0.00 0.07 0.00 0.00 56.30 55.29 1nh5 h ASN 57 Cb 1.20 0.00 -0.17 0.00 -2.07 0.00 0.00 38.32 37.28 1nh5 h ASN 57 CO 0.39 0.08 -0.67 -0.63 0.07 0.00 0.00 177.43 176.67 1nh5 s ILE 58 N -3.21 3.89 -1.35 6.14 1.01 -1.26 -4.13 121.20 122.29 1nh5 s ILE 58 Ca 0.06 -0.47 -0.11 0.00 0.00 0.00 0.00 60.65 60.12 1nh5 s ILE 58 Cb 0.06 -2.63 0.01 0.00 0.01 0.00 0.00 42.46 39.90 1nh5 s ILE 58 CO 0.67 0.55 0.43 0.00 0.00 0.00 0.00 174.94 176.59