#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 -0.28 0.00 4.39 1.01 -1.26 -0.23 116.67 120.30 1nh5 s ASP 2 Ca 0.00 0.54 0.00 0.00 0.71 0.00 0.00 52.55 53.80 1nh5 s ASP 2 Cb 0.00 0.52 0.00 0.00 1.01 0.00 0.00 42.92 44.45 1nh5 s ASP 2 CO 0.00 -0.11 0.00 0.61 0.21 0.00 0.00 175.17 175.88 1nh5 n GLY 3 N 3.24 -0.28 3.15 0.21 0.00 -0.08 -4.83 105.19 106.60 1nh5 n GLY 3 Ca -0.16 -0.87 -0.36 0.00 0.00 0.00 0.00 46.02 44.64 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 -4.00 3.47 0.50 1.61 2.02 0.40 -0.08 117.35 121.26 1nh5 s TYR 4 Ca 0.00 -2.16 -0.20 0.00 -0.37 0.00 0.00 57.07 54.35 1nh5 s TYR 4 Cb 0.00 -2.85 -0.08 0.00 -0.40 0.00 0.00 41.96 38.63 1nh5 s TYR 4 CO 0.00 -0.90 1.04 -1.25 -1.57 0.00 0.00 175.55 172.87 1nh5 s PRO 5 N 1.20 3.75 -0.04 -1.71 0.04 -1.26 -1.21 135.00 135.77 1nh5 s PRO 5 Ca 0.04 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.42 1nh5 s PRO 5 Cb -0.22 -2.09 0.02 0.00 0.04 0.00 0.00 34.50 32.26 1nh5 s PRO 5 CO -0.03 -0.47 -0.02 0.14 0.04 0.00 0.00 177.00 176.67 1nh5 s VAL 6 N -2.03 0.33 0.00 -0.36 -7.23 -0.34 -4.29 120.40 106.48 1nh5 s VAL 6 Ca 0.67 0.02 0.00 0.00 -1.81 0.00 0.00 61.98 60.86 1nh5 s VAL 6 Cb -0.16 -0.41 0.00 0.00 0.56 0.00 0.00 36.38 36.37 1nh5 s VAL 6 CO 0.22 0.19 0.00 -0.90 -0.31 0.00 0.00 175.10 174.30 1nh5 n ASP 7 N 4.24 0.00 0.13 4.85 3.85 -1.26 -4.29 116.55 124.07 1nh5 n ASP 7 Ca -0.23 0.00 0.10 0.00 -0.71 0.00 0.00 54.79 53.95 1nh5 n ASP 7 Cb 0.50 0.23 0.03 0.00 -1.35 0.00 0.00 41.12 40.53 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 0.00 0.12 -1.12 4.64 -2.01 -3.34 113.55 111.83 1nh5 h SER 8 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1nh5 h SER 8 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1nh5 h SER 8 CO 0.00 0.08 -1.44 2.29 -0.87 0.00 0.00 176.83 176.90 1nh5 n LYS 9 N -2.83 0.36 0.00 4.77 0.00 -1.26 -4.98 118.16 114.22 1nh5 n LYS 9 Ca 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 58.31 58.23 1nh5 n LYS 9 Cb 0.58 -1.54 0.00 0.00 -0.00 0.00 0.00 35.03 34.08 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 1.36 2.20 2.44 2.58 0.00 -1.26 -4.34 105.19 108.17 1nh5 n GLY 10 Ca -0.00 -0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 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 2.74 -1.44 -3.77 0.00 4.01 -1.26 -4.93 118.16 113.51 1nh5 n LYS 12 Ca 0.29 0.99 -0.13 0.00 -0.51 0.00 0.00 58.31 58.95 1nh5 n LYS 12 Cb 0.47 -1.74 -0.12 0.00 -0.51 0.00 0.00 35.03 33.12 1nh5 n LYS 12 CO 0.00 0.00 0.00 -0.48 -1.11 0.00 0.00 177.40 175.81 1nh5 s LEU 13 N -4.97 0.91 0.09 -0.35 2.34 -1.26 -4.95 118.68 110.49 1nh5 s LEU 13 Ca 0.00 0.46 -0.20 0.00 0.06 0.00 0.00 54.13 54.45 1nh5 s LEU 13 Cb 0.00 0.72 -0.08 0.00 -0.56 0.00 0.00 46.19 46.27 1nh5 s LEU 13 CO 0.00 -0.11 1.63 0.28 -1.06 0.00 0.00 176.35 177.09 1nh5 h SER 14 N 6.32 0.29 -4.17 1.48 0.02 -1.91 -0.93 113.55 114.65 1nh5 h SER 14 Ca -0.31 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1nh5 h SER 14 Cb 1.18 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.64 1nh5 h SER 14 CO 0.38 0.38 -0.60 0.00 -1.14 0.00 0.00 176.83 175.85 1nh5 n VAL 16 N 0.09 0.61 -3.60 0.00 0.31 -1.26 -4.89 118.33 109.59 1nh5 n VAL 16 Ca 0.00 -0.70 -0.13 0.00 -0.01 0.00 0.00 64.34 63.49 1nh5 n VAL 16 Cb 0.00 0.43 -0.07 0.00 -0.91 0.00 0.00 33.84 33.30 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 -0.85 -1.84 0.08 3.52 0.00 -1.26 -5.06 121.76 116.34 1nh5 s ALA 17 Ca 0.08 1.79 -0.18 0.00 0.00 0.00 0.00 51.96 53.65 1nh5 s ALA 17 Cb 0.07 -0.94 -0.09 0.00 0.00 0.00 0.00 23.12 22.16 1nh5 s ALA 17 CO 0.01 -0.32 1.45 -0.91 0.00 0.00 0.00 175.76 175.99 1nh5 h ASN 18 N 4.11 0.51 -0.64 0.00 4.21 -1.97 -2.65 115.58 119.15 1nh5 h ASN 18 Ca -0.27 -0.39 -0.03 0.00 1.21 0.00 0.00 56.30 56.81 1nh5 h ASN 18 Cb 1.16 -0.14 -0.03 0.00 -1.12 0.00 0.00 38.32 38.19 1nh5 h ASN 18 CO 0.17 0.79 0.29 -0.55 -1.29 0.00 0.00 177.43 176.83 1nh5 h ASN 19 N 0.23 0.88 -0.35 5.81 7.08 -1.97 0.72 115.58 127.98 1nh5 h ASN 19 Ca 0.06 -0.11 -0.07 0.00 -3.08 0.00 0.00 56.30 53.10 1nh5 h ASN 19 Cb 0.58 -0.23 -0.02 0.00 -2.08 0.00 0.00 38.32 36.58 1nh5 h ASN 19 CO 0.03 0.77 -0.01 0.22 -2.08 0.00 0.00 177.43 176.37 1nh5 h TYR 20 N 0.96 0.76 0.22 4.14 3.20 -1.92 -0.10 116.97 124.23 1nh5 h TYR 20 Ca 0.23 -0.10 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 1nh5 h TYR 20 Cb 0.15 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.21 1nh5 h TYR 20 CO 0.01 0.72 -0.11 0.00 -1.64 0.00 0.00 178.16 177.14 1nh5 h ASP 22 N -0.87 0.54 0.44 0.00 3.58 -0.49 0.21 116.42 119.82 1nh5 h ASP 22 Ca -0.03 -0.07 -0.08 0.00 0.42 0.00 0.00 57.03 57.27 1nh5 h ASP 22 Cb 0.51 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.41 1nh5 h ASP 22 CO 0.05 0.45 -0.38 -0.55 -2.88 0.00 0.00 179.24 175.93 1nh5 h ASN 23 N 0.58 0.00 0.90 2.28 -1.07 -1.19 -0.04 115.58 117.03 1nh5 h ASN 23 Ca 0.16 0.00 -0.22 0.00 0.07 0.00 0.00 56.30 56.31 1nh5 h ASN 23 Cb 0.02 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.23 1nh5 h ASN 23 CO -0.03 0.38 -1.16 -0.61 0.07 0.00 0.00 177.43 176.08 1nh5 h GLN 24 N 0.00 0.00 -0.00 4.14 4.15 -1.17 -3.18 115.11 119.05 1nh5 h GLN 24 Ca -0.00 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 1nh5 h GLN 24 Cb 0.70 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.39 1nh5 h GLN 24 CO 0.05 0.78 -0.02 0.00 -1.93 0.00 0.00 178.83 177.70 1nh5 h LYS 26 N -0.68 0.00 0.00 0.00 2.10 -1.10 0.21 116.57 117.09 1nh5 h LYS 26 Ca -0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 1nh5 h LYS 26 Cb 0.74 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.07 1nh5 h LYS 26 CO 0.00 0.16 -0.04 0.00 -2.00 0.00 0.00 179.45 177.57 1nh5 h MET 27 N 0.00 0.00 0.00 0.07 -0.00 -1.68 -3.41 114.93 109.90 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 0.72 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.32 1nh5 h MET 27 CO 0.02 0.04 0.00 1.17 -0.00 0.00 0.00 176.91 178.14 1nh5 n LYS 28 N -3.88 0.00 -0.25 -0.10 0.00 -1.18 -4.98 118.16 107.77 1nh5 n LYS 28 Ca -0.03 0.00 -0.07 0.00 0.00 0.00 0.00 58.31 58.21 1nh5 n LYS 28 Cb 0.13 0.00 0.04 0.00 0.00 0.00 0.00 35.03 35.20 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 1.06 0.00 1.64 1.79 -1.57 -3.46 116.57 116.03 1nh5 h LYS 29 Ca 0.00 -0.22 -0.30 0.00 -2.18 0.00 0.00 60.65 57.95 1nh5 h LYS 29 Cb 0.00 -0.16 -0.08 0.00 -1.58 0.00 0.00 32.23 30.41 1nh5 h LYS 29 CO 0.00 0.91 -0.27 0.00 -1.08 0.00 0.00 179.45 179.01 1nh5 n ALA 30 N -2.42 0.33 -0.02 3.86 0.00 0.65 -4.33 120.51 118.58 1nh5 n ALA 30 Ca 0.05 -1.31 -0.13 0.00 0.00 0.00 0.00 53.44 52.05 1nh5 n ALA 30 Cb 0.21 1.06 -0.14 0.00 0.00 0.00 0.00 19.45 20.58 1nh5 n ALA 30 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1nh5 n SER 31 N -2.01 1.23 -0.82 0.00 2.88 -0.37 -4.13 113.62 110.40 1nh5 n SER 31 Ca 0.04 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.89 1nh5 n SER 31 Cb 0.42 -0.25 0.00 0.00 -0.75 0.00 0.00 64.21 63.64 1nh5 n SER 31 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1nh5 n GLY 32 N 1.73 2.80 3.62 0.46 0.00 0.15 -4.61 105.19 109.34 1nh5 n GLY 32 Ca -0.24 -1.16 -0.02 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.82 -0.35 0.05 -0.02 0.00 -1.26 -0.12 107.32 104.79 1nh5 s GLY 33 Ca 0.00 1.00 -0.04 0.00 0.00 0.00 0.00 44.72 45.68 1nh5 s GLY 33 CO 0.00 0.28 0.06 0.30 0.00 0.00 0.00 173.10 173.73 1nh5 s HIS 34 N -2.56 0.30 -0.52 1.90 3.76 0.11 -4.17 115.29 114.10 1nh5 s HIS 34 Ca 0.11 -0.69 -0.21 0.00 -0.15 0.00 0.00 55.06 54.13 1nh5 s HIS 34 Cb 0.02 -0.21 0.05 0.00 1.11 0.00 0.00 32.58 33.55 1nh5 s HIS 34 CO -0.04 -0.37 0.72 0.00 -0.85 0.00 0.00 174.74 174.20 1nh5 s TYR 36 N 3.02 3.43 0.39 0.00 5.04 -0.88 -4.89 117.35 123.45 1nh5 s TYR 36 Ca 0.19 0.02 0.08 0.00 -2.44 0.00 0.00 57.07 54.93 1nh5 s TYR 36 Cb -0.17 -1.59 0.83 0.00 0.35 0.00 0.00 41.96 41.37 1nh5 s TYR 36 CO 0.14 0.48 1.98 0.00 -1.34 0.00 0.00 175.55 176.80 1nh5 h ALA 37 N 1.58 1.78 -0.17 3.97 0.00 -1.93 -0.46 119.26 124.03 1nh5 h ALA 37 Ca -0.50 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.28 1nh5 h ALA 37 Cb 1.22 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1nh5 h ALA 37 CO 0.64 0.12 -0.32 0.52 0.00 0.00 0.00 179.25 180.21 1nh5 h MET 38 N 0.64 0.52 -1.27 0.00 2.86 -1.95 -3.49 114.93 112.24 1nh5 h MET 38 Ca 0.28 -0.33 0.37 0.00 -2.06 0.00 0.00 59.70 57.95 1nh5 h MET 38 Cb 0.27 0.04 -0.13 0.00 0.06 0.00 0.00 31.60 31.84 1nh5 h MET 38 CO -0.08 0.94 0.92 -1.12 1.06 0.00 0.00 176.91 178.62 1nh5 s SER 39 N -6.46 -0.03 -0.26 1.22 0.01 -0.18 -4.76 113.70 103.24 1nh5 s SER 39 Ca -0.13 -0.07 -0.28 0.00 1.31 0.00 0.00 55.95 56.78 1nh5 s SER 39 Cb 0.06 0.08 -0.05 0.00 0.21 0.00 0.00 66.02 66.32 1nh5 s SER 39 CO 0.80 -0.15 2.26 0.00 0.41 0.00 0.00 173.24 176.56 1nh5 s TYR 41 N 8.90 2.57 0.39 0.00 5.04 0.44 -4.51 117.35 130.18 1nh5 s TYR 41 Ca 1.01 -0.51 -0.13 0.00 -2.44 0.00 0.00 57.07 54.99 1nh5 s TYR 41 Cb -0.32 -4.46 -0.08 0.00 0.35 0.00 0.00 41.96 37.46 1nh5 s TYR 41 CO 0.34 -1.82 0.80 0.00 -1.34 0.00 0.00 175.55 173.53 1nh5 s GLU 43 N -3.53 0.65 0.00 0.00 2.02 0.82 -0.90 118.70 117.75 1nh5 s GLU 43 Ca 0.54 0.06 0.00 0.00 0.02 0.00 0.00 54.97 55.59 1nh5 s GLU 43 Cb -0.10 -0.92 0.00 0.00 0.10 0.00 0.00 34.13 33.21 1nh5 s GLU 43 CO 0.25 -0.25 0.00 0.41 0.02 0.00 0.00 175.26 175.70 1nh5 n GLY 44 N 4.85 0.89 3.93 -1.39 0.00 0.68 -0.67 105.19 113.47 1nh5 n GLY 44 Ca -0.12 -0.45 -0.26 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.00 4.09 0.58 0.99 1.02 0.37 -1.99 118.68 121.74 1nh5 s LEU 45 Ca 0.00 0.47 -0.16 0.00 0.02 0.00 0.00 54.13 54.46 1nh5 s LEU 45 Cb 0.00 -3.30 -0.04 0.00 0.02 0.00 0.00 46.19 42.86 1nh5 s LEU 45 CO 0.00 -0.20 1.05 -2.16 0.02 0.00 0.00 176.35 175.06 1nh5 s PRO 46 N -3.89 3.43 0.30 1.29 0.04 -1.26 -1.00 135.00 133.91 1nh5 s PRO 46 Ca 0.40 1.19 0.26 0.00 0.04 0.00 0.00 61.00 62.88 1nh5 s PRO 46 Cb -0.10 -2.05 0.97 0.00 0.04 0.00 0.00 34.50 33.36 1nh5 s PRO 46 CO 0.33 -0.72 1.76 1.05 0.04 0.00 0.00 177.00 179.46 1nh5 h GLU 47 N 0.58 0.00 0.00 4.56 4.11 -1.99 -2.00 114.58 119.84 1nh5 h GLU 47 Ca -0.47 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 58.88 1nh5 h GLU 47 Cb 1.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1nh5 h GLU 47 CO 0.58 0.00 -0.38 -2.95 0.07 0.00 0.00 179.01 176.33 1nh5 h ASN 48 N 0.00 0.00 -3.19 3.06 -1.07 -2.02 -3.42 115.58 108.94 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 0.50 0.00 -0.07 0.00 -2.07 0.00 0.00 38.32 36.68 1nh5 h ASN 48 CO 0.00 0.38 0.62 0.00 0.07 0.00 0.00 177.43 178.50 1nh5 s ALA 49 N -3.76 3.63 0.02 4.14 0.00 -0.76 -5.00 121.76 120.04 1nh5 s ALA 49 Ca -0.01 0.07 -0.30 0.00 0.00 0.00 0.00 51.96 51.72 1nh5 s ALA 49 Cb 0.12 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 1nh5 s ALA 49 CO 0.69 -0.93 1.01 0.21 0.00 0.00 0.00 175.76 176.75 1nh5 s LYS 50 N 2.86 4.56 0.08 0.00 2.36 -1.26 -4.93 119.74 123.41 1nh5 s LYS 50 Ca 0.40 1.48 0.07 0.00 -2.55 0.00 0.00 55.97 55.37 1nh5 s LYS 50 Cb -0.16 -3.43 -0.03 0.00 -1.05 0.00 0.00 37.83 33.16 1nh5 s LYS 50 CO 0.08 -0.05 -0.17 0.14 1.55 0.00 0.00 175.35 176.90 1nh5 s VAL 51 N 0.89 1.40 0.38 4.02 -7.23 -1.26 -1.20 120.40 117.39 1nh5 s VAL 51 Ca 0.52 -1.37 -0.07 0.00 -1.81 0.00 0.00 61.98 59.25 1nh5 s VAL 51 Cb -0.23 -1.29 -0.05 0.00 0.56 0.00 0.00 36.38 35.36 1nh5 s VAL 51 CO 0.29 -0.10 0.69 -0.55 -0.31 0.00 0.00 175.10 175.11 1nh5 s SER 52 N -1.71 6.45 -0.14 4.85 0.15 -0.35 -4.84 113.70 118.11 1nh5 s SER 52 Ca 0.03 0.94 0.21 0.00 0.70 0.00 0.00 55.95 57.82 1nh5 s SER 52 Cb -0.10 -2.24 0.41 0.00 -1.71 0.00 0.00 66.02 62.39 1nh5 s SER 52 CO 0.03 -0.35 1.17 -0.90 1.20 0.00 0.00 173.24 174.38 1nh5 n ASP 53 N -1.34 0.75 -2.84 5.45 3.85 -1.26 -0.45 116.55 120.70 1nh5 n ASP 53 Ca 0.00 -2.03 -0.11 0.00 -0.71 0.00 0.00 54.79 51.94 1nh5 n ASP 53 Cb 0.54 -0.20 0.04 0.00 -1.35 0.00 0.00 41.12 40.15 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 -0.20 -2.09 -3.46 -1.12 3.41 -1.26 -5.00 113.62 103.90 1nh5 n SER 54 Ca 0.00 -3.29 -0.19 0.00 -0.26 0.00 0.00 58.87 55.13 1nh5 n SER 54 Cb 0.94 1.34 0.06 0.00 -0.26 0.00 0.00 64.21 66.29 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 1.23 -2.28 -0.01 7.33 0.00 -1.26 -3.79 120.51 121.73 1nh5 n ALA 55 Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1nh5 n ALA 55 Cb 0.63 -3.87 0.00 0.00 0.00 0.00 0.00 19.45 16.21 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 -3.83 0.00 -3.80 0.00 -1.04 -1.26 -4.70 114.28 99.65 1nh5 n THR 56 Ca -0.18 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.60 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 3.38 0.50 -3.64 8.00 0.23 -1.13 -4.82 115.26 117.78 1nh5 n ASN 57 Ca 0.00 -0.92 -0.13 0.00 -0.53 0.00 0.00 54.58 53.00 1nh5 n ASN 57 Cb 0.00 -1.15 -0.07 0.00 -2.08 0.00 0.00 39.78 36.48 1nh5 n ASN 57 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 1nh5 s ILE 58 N -3.87 -0.00 -1.62 1.53 1.01 -1.26 -4.85 121.20 112.13 1nh5 s ILE 58 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 60.65 60.66 1nh5 s ILE 58 Cb -0.03 -0.97 0.05 0.00 0.01 0.00 0.00 42.46 41.51 1nh5 s ILE 58 CO 0.72 0.00 0.13 0.00 0.00 0.00 0.00 174.94 175.80