#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 1.29 0.00 -5.58 1.01 -1.26 -0.48 116.67 111.65 1nh5 s ASP 2 Ca 0.00 -0.70 0.00 0.00 0.71 0.00 0.00 52.55 52.56 1nh5 s ASP 2 Cb 0.00 0.01 0.00 0.00 1.01 0.00 0.00 42.92 43.94 1nh5 s ASP 2 CO 0.00 -0.21 0.00 0.61 0.21 0.00 0.00 175.17 175.78 1nh5 n GLY 3 N 0.97 -0.18 3.33 0.21 0.00 -0.49 -4.86 105.19 104.17 1nh5 n GLY 3 Ca -0.19 -1.09 -0.38 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 -3.63 3.22 0.27 1.61 2.02 0.17 -0.09 117.35 120.92 1nh5 s TYR 4 Ca 0.00 -1.13 -0.30 0.00 -0.37 0.00 0.00 57.07 55.27 1nh5 s TYR 4 Cb 0.00 -2.32 -0.09 0.00 -0.40 0.00 0.00 41.96 39.14 1nh5 s TYR 4 CO 0.00 -0.65 1.08 -1.25 -1.57 0.00 0.00 175.55 173.16 1nh5 s PRO 5 N 1.48 4.67 -0.04 -1.71 0.04 -1.26 -0.61 135.00 137.57 1nh5 s PRO 5 Ca 0.01 1.77 0.01 0.00 0.04 0.00 0.00 61.00 62.82 1nh5 s PRO 5 Cb -0.19 -3.20 0.02 0.00 0.04 0.00 0.00 34.50 31.18 1nh5 s PRO 5 CO 0.04 0.25 -0.03 0.14 0.04 0.00 0.00 177.00 177.44 1nh5 s VAL 6 N -1.16 0.43 0.00 -0.36 -7.23 -1.25 -4.60 120.40 106.22 1nh5 s VAL 6 Ca 0.44 -0.06 0.00 0.00 -1.81 0.00 0.00 61.98 60.55 1nh5 s VAL 6 Cb -0.31 -0.47 0.00 0.00 0.56 0.00 0.00 36.38 36.15 1nh5 s VAL 6 CO 0.40 0.20 0.00 -0.90 -0.31 0.00 0.00 175.10 174.49 1nh5 n ASP 7 N 4.06 0.00 0.06 4.85 5.68 -1.26 -4.88 116.55 125.07 1nh5 n ASP 7 Ca -0.25 0.00 -0.11 0.00 -0.50 0.00 0.00 54.79 53.93 1nh5 n ASP 7 Cb 0.51 0.08 -0.13 0.00 -1.14 0.00 0.00 41.12 40.44 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 0.17 1.38 -1.12 4.64 -2.01 -3.05 113.55 113.55 1nh5 h SER 8 Ca 0.00 -0.20 -0.07 0.00 -0.47 0.00 0.00 61.79 61.05 1nh5 h SER 8 Cb 0.00 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 1nh5 h SER 8 CO 0.00 1.16 -0.35 0.07 -0.87 0.00 0.00 176.83 176.84 1nh5 h LYS 9 N 0.03 0.00 0.00 4.77 2.10 -1.93 -3.48 116.57 118.06 1nh5 h LYS 9 Ca -0.11 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.54 1nh5 h LYS 9 Cb 1.89 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.22 1nh5 h LYS 9 CO 0.15 0.35 0.00 0.41 -2.00 0.00 0.00 179.45 178.36 1nh5 n GLY 10 N 0.87 2.04 2.55 0.07 0.00 -1.16 -4.73 105.19 104.84 1nh5 n GLY 10 Ca 0.02 -0.38 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 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 3.63 -1.55 -0.06 0.00 4.01 -1.26 -4.82 118.16 118.10 1nh5 n LYS 12 Ca 0.14 1.23 -0.08 0.00 -0.51 0.00 0.00 58.31 59.09 1nh5 n LYS 12 Cb 0.38 -1.63 -0.15 0.00 -0.51 0.00 0.00 35.03 33.12 1nh5 n LYS 12 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 1nh5 n LEU 13 N -2.43 0.35 -3.09 -0.35 7.94 -1.26 -4.91 117.00 113.24 1nh5 n LEU 13 Ca -0.02 0.16 -0.12 0.00 -1.11 0.00 0.00 56.01 54.92 1nh5 n LEU 13 Cb 0.24 0.34 0.01 0.00 0.53 0.00 0.00 43.42 44.54 1nh5 n LEU 13 CO 0.01 0.42 0.06 -1.20 -1.11 0.00 0.00 177.39 175.56 1nh5 n SER 14 N -2.84 -7.27 -4.76 1.96 7.64 -1.26 -4.90 113.62 102.19 1nh5 n SER 14 Ca -0.25 0.13 -0.37 0.00 1.01 0.00 0.00 58.87 59.39 1nh5 n SER 14 Cb 1.08 -4.47 0.02 0.00 -1.01 0.00 0.00 64.21 59.83 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 -0.96 0.28 -3.62 0.00 0.31 -1.26 -4.91 118.33 108.17 1nh5 n VAL 16 Ca 0.10 -0.57 -0.05 0.00 -0.01 0.00 0.00 64.34 63.81 1nh5 n VAL 16 Cb 0.47 -0.09 -0.02 0.00 -0.91 0.00 0.00 33.84 33.29 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 -3.30 -1.82 0.07 3.52 0.00 -1.26 -5.03 121.76 113.93 1nh5 s ALA 17 Ca -0.08 0.68 -0.19 0.00 0.00 0.00 0.00 51.96 52.36 1nh5 s ALA 17 Cb 0.12 0.45 -0.10 0.00 0.00 0.00 0.00 23.12 23.59 1nh5 s ALA 17 CO 0.89 -0.86 1.46 -0.91 0.00 0.00 0.00 175.76 176.34 1nh5 h ASN 18 N 2.00 0.43 -0.34 0.00 2.35 -1.97 -1.45 115.58 116.60 1nh5 h ASN 18 Ca -0.23 -0.37 -0.12 0.00 -0.55 0.00 0.00 56.30 55.04 1nh5 h ASN 18 Cb 1.23 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.46 1nh5 h ASN 18 CO 0.28 0.70 -0.21 -0.55 -1.65 0.00 0.00 177.43 176.00 1nh5 h ASN 19 N 0.15 0.84 -0.70 5.81 -1.07 -1.97 0.02 115.58 118.66 1nh5 h ASN 19 Ca 0.06 -0.30 -0.01 0.00 0.07 0.00 0.00 56.30 56.11 1nh5 h ASN 19 Cb 0.52 -0.23 -0.03 0.00 -2.07 0.00 0.00 38.32 36.50 1nh5 h ASN 19 CO 0.02 1.03 0.40 0.22 0.07 0.00 0.00 177.43 179.17 1nh5 h TYR 20 N 0.72 0.97 0.59 4.14 5.03 -1.91 -0.52 116.97 125.99 1nh5 h TYR 20 Ca 0.10 -0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.37 1nh5 h TYR 20 Cb 0.73 -0.31 0.01 0.00 1.55 0.00 0.00 36.73 38.71 1nh5 h TYR 20 CO 0.04 0.67 -0.28 0.00 -1.32 0.00 0.00 178.16 177.27 1nh5 h ASP 22 N -1.11 0.14 0.36 0.00 3.58 -0.61 0.22 116.42 118.99 1nh5 h ASP 22 Ca -0.08 0.03 -0.06 0.00 0.42 0.00 0.00 57.03 57.34 1nh5 h ASP 22 Cb 0.61 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.67 1nh5 h ASP 22 CO 0.13 0.12 -0.29 -0.55 -2.88 0.00 0.00 179.24 175.77 1nh5 h ASN 23 N 0.27 0.00 0.87 2.28 -1.07 -1.27 0.18 115.58 116.84 1nh5 h ASN 23 Ca 0.15 0.00 -0.19 0.00 0.07 0.00 0.00 56.30 56.33 1nh5 h ASN 23 Cb 0.11 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.33 1nh5 h ASN 23 CO -0.15 0.29 -1.22 -0.61 0.07 0.00 0.00 177.43 175.81 1nh5 h GLN 24 N 0.00 0.00 0.02 4.14 4.15 -0.93 -2.26 115.11 120.23 1nh5 h GLN 24 Ca -0.00 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 1nh5 h GLN 24 Cb 0.54 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.23 1nh5 h GLN 24 CO 0.04 0.50 -0.01 0.00 -1.93 0.00 0.00 178.83 177.43 1nh5 n LYS 26 N -4.78 0.16 -0.33 0.00 2.85 0.58 -0.36 118.16 116.27 1nh5 n LYS 26 Ca -0.09 0.01 0.07 0.00 -1.05 0.00 0.00 58.31 57.26 1nh5 n LYS 26 Cb 0.32 -1.50 0.24 0.00 -0.65 0.00 0.00 35.03 33.44 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 0.80 0.00 -1.58 4.05 -1.51 -3.44 114.93 113.25 1nh5 h MET 27 Ca 0.00 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 1nh5 h MET 27 Cb 0.40 -0.18 0.00 0.00 -0.80 0.00 0.00 31.60 31.02 1nh5 h MET 27 CO 0.00 0.53 0.00 1.17 0.23 0.00 0.00 176.91 178.84 1nh5 n LYS 28 N -4.73 0.00 -0.17 0.39 0.00 -0.94 -4.98 118.16 107.73 1nh5 n LYS 28 Ca 0.18 0.00 -0.09 0.00 0.00 0.00 0.00 58.31 58.40 1nh5 n LYS 28 Cb 0.40 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.43 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 0.76 0.00 1.64 1.79 -0.92 -3.47 116.57 116.37 1nh5 h LYS 29 Ca 0.00 -0.17 -0.13 0.00 -2.18 0.00 0.00 60.65 58.17 1nh5 h LYS 29 Cb 0.00 -0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 30.51 1nh5 h LYS 29 CO 0.00 0.73 -0.07 0.00 -1.08 0.00 0.00 179.45 179.02 1nh5 n ALA 30 N -2.36 -0.12 0.01 3.86 0.00 0.16 -4.46 120.51 117.60 1nh5 n ALA 30 Ca 0.01 -0.72 -0.12 0.00 0.00 0.00 0.00 53.44 52.61 1nh5 n ALA 30 Cb 0.20 0.58 -0.14 0.00 0.00 0.00 0.00 19.45 20.09 1nh5 n ALA 30 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1nh5 h SER 31 N 0.86 0.15 -1.03 0.00 0.02 0.06 -3.36 113.55 110.25 1nh5 h SER 31 Ca -0.12 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1nh5 h SER 31 Cb 0.52 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.01 1nh5 h SER 31 CO 0.16 1.24 0.00 0.61 -1.14 0.00 0.00 176.83 177.70 1nh5 n GLY 32 N 1.64 2.80 3.61 -3.77 0.00 0.22 -4.64 105.19 105.04 1nh5 n GLY 32 Ca -0.18 -1.15 -0.01 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 -0.80 -0.34 0.04 -0.02 0.00 -1.26 -0.00 107.32 104.94 1nh5 s GLY 33 Ca 0.00 1.25 -0.03 0.00 0.00 0.00 0.00 44.72 45.94 1nh5 s GLY 33 CO 0.00 0.36 0.03 -1.58 0.00 0.00 0.00 173.10 171.91 1nh5 s HIS 34 N -2.35 0.35 -0.40 1.90 2.46 -0.11 -4.13 115.29 113.01 1nh5 s HIS 34 Ca 0.12 -0.77 -0.24 0.00 0.47 0.00 0.00 55.06 54.65 1nh5 s HIS 34 Cb 0.02 -0.25 0.02 0.00 -0.13 0.00 0.00 32.58 32.23 1nh5 s HIS 34 CO -0.04 -0.36 0.81 0.00 -2.47 0.00 0.00 174.74 172.68 1nh5 s TYR 36 N 3.25 3.18 0.40 0.00 5.04 -0.71 -4.92 117.35 123.60 1nh5 s TYR 36 Ca 0.32 -0.14 0.11 0.00 -2.44 0.00 0.00 57.07 54.92 1nh5 s TYR 36 Cb -0.12 -1.63 0.92 0.00 0.35 0.00 0.00 41.96 41.47 1nh5 s TYR 36 CO 0.19 0.34 1.96 0.00 -1.34 0.00 0.00 175.55 176.71 1nh5 h ALA 37 N 1.24 1.90 -0.08 3.97 0.00 -1.97 -1.00 119.26 123.32 1nh5 h ALA 37 Ca -0.48 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.34 1nh5 h ALA 37 Cb 1.24 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1nh5 h ALA 37 CO 0.59 -0.04 -0.24 0.52 0.00 0.00 0.00 179.25 180.08 1nh5 h MET 38 N 0.55 0.30 0.00 0.00 2.86 -1.98 -3.48 114.93 113.18 1nh5 h MET 38 Ca 0.31 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1nh5 h MET 38 Cb 0.47 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.17 1nh5 h MET 38 CO -0.10 0.84 0.00 0.43 1.06 0.00 0.00 176.91 179.15 1nh5 n SER 39 N -4.49 0.00 -4.57 1.22 7.64 -0.38 -4.55 113.62 108.48 1nh5 n SER 39 Ca -0.08 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.38 1nh5 n SER 39 Cb 0.45 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.61 1nh5 n SER 39 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nh5 s TYR 41 N 9.32 2.32 0.43 0.00 5.04 0.41 -4.52 117.35 130.35 1nh5 s TYR 41 Ca 1.01 -0.23 -0.11 0.00 -2.44 0.00 0.00 57.07 55.31 1nh5 s TYR 41 Cb -0.35 -4.62 -0.06 0.00 0.35 0.00 0.00 41.96 37.28 1nh5 s TYR 41 CO 0.34 -2.05 0.81 0.00 -1.34 0.00 0.00 175.55 173.31 1nh5 s GLU 43 N -4.00 0.90 0.00 0.00 2.12 1.00 -1.40 118.70 117.32 1nh5 s GLU 43 Ca 0.52 -0.01 0.00 0.00 0.36 0.00 0.00 54.97 55.84 1nh5 s GLU 43 Cb -0.10 -1.15 0.00 0.00 0.26 0.00 0.00 34.13 33.14 1nh5 s GLU 43 CO 0.33 -0.28 0.00 0.41 -0.54 0.00 0.00 175.26 175.19 1nh5 n GLY 44 N 5.01 0.05 3.94 -1.50 0.00 -0.50 -0.61 105.19 111.58 1nh5 n GLY 44 Ca -0.10 -0.24 -0.24 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.16 4.10 0.57 0.99 1.02 0.37 -1.61 118.68 121.96 1nh5 s LEU 45 Ca 0.00 0.39 -0.17 0.00 0.02 0.00 0.00 54.13 54.37 1nh5 s LEU 45 Cb 0.00 -3.22 -0.05 0.00 0.02 0.00 0.00 46.19 42.94 1nh5 s LEU 45 CO 0.00 -0.21 1.05 -2.16 0.02 0.00 0.00 176.35 175.04 1nh5 s PRO 46 N -4.07 3.47 0.53 1.29 0.04 -1.26 -3.04 135.00 131.97 1nh5 s PRO 46 Ca 0.39 1.20 0.30 0.00 0.04 0.00 0.00 61.00 62.93 1nh5 s PRO 46 Cb -0.10 -2.05 1.47 0.00 0.04 0.00 0.00 34.50 33.86 1nh5 s PRO 46 CO 0.33 -0.68 2.05 1.05 0.04 0.00 0.00 177.00 179.79 1nh5 h GLU 47 N 0.69 0.00 -0.04 4.56 4.11 -1.99 -1.93 114.58 119.99 1nh5 h GLU 47 Ca -0.47 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 58.84 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 0.10 -0.53 -2.95 0.07 0.00 0.00 179.01 176.29 1nh5 h ASN 48 N 0.00 0.11 -1.63 3.06 -1.07 -2.02 -3.34 115.58 110.68 1nh5 h ASN 48 Ca -0.00 -0.05 -0.73 0.00 0.07 0.00 0.00 56.30 55.58 1nh5 h ASN 48 Cb 0.40 -0.03 -0.15 0.00 -2.07 0.00 0.00 38.32 36.47 1nh5 h ASN 48 CO 0.01 0.61 1.76 0.00 0.07 0.00 0.00 177.43 179.89 1nh5 n ALA 49 N -2.45 4.26 -1.61 4.14 0.00 -0.72 -4.98 120.51 119.15 1nh5 n ALA 49 Ca -0.02 -4.17 -0.36 0.00 0.00 0.00 0.00 53.44 48.89 1nh5 n ALA 49 Cb 0.55 -3.16 0.08 0.00 0.00 0.00 0.00 19.45 16.91 1nh5 n ALA 49 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1nh5 n LYS 50 N 5.75 0.93 -4.30 0.00 -0.00 -1.26 -4.87 118.16 114.41 1nh5 n LYS 50 Ca 0.41 0.38 -0.16 0.00 -0.00 0.00 0.00 58.31 58.93 1nh5 n LYS 50 Cb 0.42 -2.51 -0.10 0.00 -0.00 0.00 0.00 35.03 32.84 1nh5 n LYS 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1nh5 s VAL 51 N -1.53 1.25 0.23 0.58 -7.23 -1.26 -3.94 120.40 108.51 1nh5 s VAL 51 Ca 0.81 -2.08 -0.04 0.00 -1.81 0.00 0.00 61.98 58.86 1nh5 s VAL 51 Cb -0.36 -2.07 -0.05 0.00 0.56 0.00 0.00 36.38 34.45 1nh5 s VAL 51 CO 0.42 -0.56 0.47 -0.55 -0.31 0.00 0.00 175.10 174.57 1nh5 s SER 52 N -3.25 6.45 -0.14 4.85 0.15 0.23 -4.86 113.70 117.12 1nh5 s SER 52 Ca 0.22 0.61 0.18 0.00 0.70 0.00 0.00 55.95 57.66 1nh5 s SER 52 Cb 0.03 -2.10 0.44 0.00 -1.71 0.00 0.00 66.02 62.68 1nh5 s SER 52 CO 0.05 -0.10 1.18 -0.90 1.20 0.00 0.00 173.24 174.67 1nh5 n ASP 53 N -0.63 1.76 -1.18 5.45 5.75 -1.26 -0.66 116.55 125.78 1nh5 n ASP 53 Ca -0.03 -2.85 0.01 0.00 -0.01 0.00 0.00 54.79 51.92 1nh5 n ASP 53 Cb 0.53 -0.41 0.12 0.00 -1.03 0.00 0.00 41.12 40.34 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 -0.34 1.89 -3.46 -1.12 3.41 -1.26 -4.99 113.62 107.76 1nh5 n SER 54 Ca 0.15 -3.22 -0.19 0.00 -0.26 0.00 0.00 58.87 55.34 1nh5 n SER 54 Cb 0.93 -0.44 0.06 0.00 -0.26 0.00 0.00 64.21 64.50 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 -0.58 -2.28 -2.66 7.33 0.00 -1.26 -3.92 120.51 117.14 1nh5 n ALA 55 Ca 0.18 -0.03 -0.05 0.00 0.00 0.00 0.00 53.44 53.53 1nh5 n ALA 55 Cb 0.86 -3.89 0.01 0.00 0.00 0.00 0.00 19.45 16.43 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 -3.82-10.30 0.86 0.00 -1.04 -1.26 -4.94 114.28 93.78 1nh5 n THR 56 Ca -0.18 1.02 0.09 0.00 -2.04 0.00 0.00 64.05 62.94 1nh5 n THR 56 Cb 0.64 -6.85 -0.09 0.00 -1.82 0.00 0.00 70.33 62.22 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 -0.08 1.04 -4.80 8.00 0.23 -1.18 -4.75 115.26 113.73 1nh5 n ASN 57 Ca 0.08 -1.02 -0.38 0.00 -0.53 0.00 0.00 54.58 52.73 1nh5 n ASN 57 Cb 0.30 0.90 -0.06 0.00 -2.08 0.00 0.00 39.78 38.84 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 -2.63 4.99 -1.45 1.53 1.09 -1.26 -2.29 121.20 121.18 1nh5 s ILE 58 Ca 0.09 0.98 -0.01 0.00 -1.10 0.00 0.00 60.65 60.61 1nh5 s ILE 58 Cb 0.14 -3.80 0.01 0.00 -1.06 0.00 0.00 42.46 37.75 1nh5 s ILE 58 CO 0.70 0.50 0.33 0.00 -0.10 0.00 0.00 174.94 176.37