#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b28 n LYS 2 N 0.00 0.00 -3.29 0.03 3.00 -1.26 -5.01 118.16 111.63 1b28 n LYS 2 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.34 1b28 n LYS 2 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.01 1b28 n LYS 2 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1b28 s GLY 3 N 0.00 -0.57 -0.33 3.14 0.00 -1.26 -4.62 107.32 103.68 1b28 s GLY 3 Ca 0.00 2.49 0.10 0.00 0.00 0.00 0.00 44.72 47.31 1b28 s GLY 3 CO 0.00 3.42 1.37 1.15 0.00 0.00 0.00 173.10 179.04 1b28 n MET 4 N 5.33 1.13 0.00 2.90 0.00 -1.26 -4.99 117.12 120.23 1b28 n MET 4 Ca -0.06 -1.28 0.00 0.00 0.00 0.00 0.00 57.70 56.36 1b28 n MET 4 Cb 0.52 0.22 0.00 0.00 0.00 0.00 0.00 33.22 33.96 1b28 n MET 4 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1b28 n SER 5 N -1.06 0.00 -1.47 3.17 3.41 -1.26 -4.73 113.62 111.68 1b28 n SER 5 Ca -0.12 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.41 1b28 n SER 5 Cb 0.83 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.87 1b28 n SER 5 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1b28 n LYS 6 N 0.00 1.76 0.00 4.33 5.02 -1.26 -4.41 118.16 123.59 1b28 n LYS 6 Ca 0.00 -1.34 0.00 0.00 -2.02 0.00 0.00 58.31 54.95 1b28 n LYS 6 Cb 0.00 -1.58 0.00 0.00 -0.02 0.00 0.00 35.03 33.43 1b28 n LYS 6 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 1b28 n MET 7 N -0.14 0.00 -2.04 1.97 1.56 -1.26 -5.06 117.12 112.15 1b28 n MET 7 Ca 0.24 0.00 -0.39 0.00 -0.27 0.00 0.00 57.70 57.28 1b28 n MET 7 Cb 0.96 -0.05 -0.03 0.00 2.15 0.00 0.00 33.22 36.26 1b28 n MET 7 CO 0.00 0.00 0.00 -2.14 -0.73 0.00 0.00 175.97 173.10 1b28 s PRO 8 N -1.79 2.78 0.03 2.12 0.02 -1.26 -4.96 135.00 131.94 1b28 s PRO 8 Ca 0.00 0.78 -0.05 0.00 0.02 0.00 0.00 61.00 61.75 1b28 s PRO 8 Cb 0.00 -4.34 -0.05 0.00 0.02 0.00 0.00 34.50 30.13 1b28 s PRO 8 CO 0.00 -2.54 0.27 -1.14 -0.33 0.00 0.00 177.00 173.25 1b28 s GLN 9 N 6.73 3.55 -0.24 5.54 0.74 -1.26 -4.92 119.66 129.81 1b28 s GLN 9 Ca 0.70 -0.16 -0.03 0.00 0.05 0.00 0.00 55.36 55.92 1b28 s GLN 9 Cb -0.14 -3.04 0.08 0.00 1.10 0.00 0.00 33.01 31.00 1b28 s GLN 9 CO 0.24 0.62 0.08 0.12 -0.55 0.00 0.00 175.29 175.79 1b28 s PHE 10 N -1.39 0.91 0.05 1.67 5.36 -1.26 -5.13 117.98 118.19 1b28 s PHE 10 Ca 0.31 -0.98 -0.15 0.00 -0.96 0.00 0.00 56.93 55.15 1b28 s PHE 10 Cb -0.13 -1.10 -0.06 0.00 -0.34 0.00 0.00 43.02 41.39 1b28 s PHE 10 CO 0.19 -0.70 0.45 0.54 -1.46 0.00 0.00 175.22 174.25 1b28 s ASN 11 N 1.90 6.82 0.32 6.13 2.20 -1.26 -5.09 114.94 125.96 1b28 s ASN 11 Ca 0.04 1.00 0.00 0.00 -0.94 0.00 0.00 52.86 52.96 1b28 s ASN 11 Cb -0.17 -2.26 0.00 0.00 -2.00 0.00 0.00 41.25 36.82 1b28 s ASN 11 CO -0.18 0.26 0.01 0.18 -2.94 0.00 0.00 177.10 174.43 1b28 n LEU 12 N 1.49 0.00 -3.46 3.54 4.77 -1.26 -5.13 117.00 116.95 1b28 n LEU 12 Ca -0.11 -1.99 -0.26 0.00 -0.03 0.00 0.00 56.01 53.62 1b28 n LEU 12 Cb 0.52 0.21 -0.12 0.00 -2.33 0.00 0.00 43.42 41.70 1b28 n LEU 12 CO 0.40 -0.29 -0.28 -0.13 -1.33 0.00 0.00 177.39 175.75 1b28 s ARG 13 N -3.17 0.43 0.00 3.23 0.52 -1.26 -5.13 118.95 113.58 1b28 s ARG 13 Ca 0.01 -0.89 0.08 0.00 -0.52 0.00 0.00 55.73 54.41 1b28 s ARG 13 Cb -0.00 -1.09 -0.02 0.00 0.52 0.00 0.00 34.95 34.36 1b28 s ARG 13 CO 0.01 -1.13 -0.25 -1.58 0.02 0.00 0.00 175.30 172.36 1b28 s TRP 14 N 1.57 2.36 0.35 -0.53 0.51 -1.26 -5.10 118.94 116.83 1b28 s TRP 14 Ca 0.14 -0.41 -0.25 0.00 -2.12 0.00 0.00 56.10 53.46 1b28 s TRP 14 Cb -0.19 -1.47 -0.13 0.00 -0.81 0.00 0.00 33.47 30.87 1b28 s TRP 14 CO -0.14 0.04 0.81 -2.30 -0.51 0.00 0.00 176.95 174.84 1b28 n PRO 15 N 2.19 0.95 -0.02 4.98 -0.02 -1.26 -4.77 135.00 137.05 1b28 n PRO 15 Ca -0.16 0.34 0.06 0.00 -2.02 0.00 0.00 63.50 61.72 1b28 n PRO 15 Cb 0.51 -1.69 0.45 0.00 -0.02 0.00 0.00 33.50 32.76 1b28 n PRO 15 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 1b28 h ARG 16 N 1.39 0.49 -0.30 -0.52 0.11 -2.00 -1.40 114.38 112.16 1b28 h ARG 16 Ca -0.40 -0.03 -0.08 0.00 0.10 0.00 0.00 59.98 59.58 1b28 h ARG 16 Cb 1.37 -0.11 -0.02 0.00 1.11 0.00 0.00 29.97 32.32 1b28 h ARG 16 CO 0.56 0.33 -0.14 0.93 0.10 0.00 0.00 179.97 181.75 1b28 h GLU 17 N 0.51 0.51 -0.53 0.08 5.08 -1.99 -1.84 114.58 116.39 1b28 h GLU 17 Ca 0.18 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 1b28 h GLU 17 Cb 0.10 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1b28 h GLU 17 CO -0.04 0.64 0.13 0.28 -1.00 0.00 0.00 179.01 179.02 1b28 h VAL 18 N 0.47 1.24 -0.42 3.13 2.07 -1.60 -2.40 116.25 118.74 1b28 h VAL 18 Ca 0.08 -0.86 -0.07 0.00 0.82 0.00 0.00 66.70 66.67 1b28 h VAL 18 Cb 0.52 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1b28 h VAL 18 CO 0.03 0.31 -0.04 -0.07 0.02 0.00 0.00 177.57 177.82 1b28 h LEU 19 N 0.74 0.67 -1.40 2.57 3.38 -1.33 -1.66 115.31 118.27 1b28 h LEU 19 Ca 0.17 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1b28 h LEU 19 Cb 0.33 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1b28 h LEU 19 CO 0.00 0.77 -0.30 0.44 0.09 0.00 0.00 178.44 179.44 1b28 h ASP 20 N 0.65 0.00 0.82 -0.43 3.32 -1.15 0.22 116.42 119.85 1b28 h ASP 20 Ca 0.12 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.93 1b28 h ASP 20 Cb 0.47 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 1b28 h ASP 20 CO 0.02 0.30 -1.18 0.25 -1.72 0.00 0.00 179.24 176.92 1b28 h LEU 21 N 0.00 0.12 -1.20 1.55 5.85 -1.17 -0.70 115.31 119.76 1b28 h LEU 21 Ca -0.00 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.53 1b28 h LEU 21 Cb 0.55 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 1b28 h LEU 21 CO 0.04 1.11 0.08 0.58 -0.34 0.00 0.00 178.44 179.91 1b28 h VAL 22 N 0.02 1.20 -0.45 1.05 2.07 -1.01 -0.87 116.25 118.25 1b28 h VAL 22 Ca -0.09 -0.73 -0.07 0.00 0.82 0.00 0.00 66.70 66.64 1b28 h VAL 22 Cb 1.86 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 32.41 1b28 h VAL 22 CO 0.14 0.26 -0.00 0.03 0.02 0.00 0.00 177.57 178.02 1b28 h ARG 23 N 0.62 0.74 0.48 1.57 2.47 -0.45 -1.31 114.38 118.50 1b28 h ARG 23 Ca 0.14 -0.19 -0.02 0.00 -1.26 0.00 0.00 59.98 58.64 1b28 h ARG 23 Cb 0.27 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.51 1b28 h ARG 23 CO 0.00 0.75 -0.23 -0.22 0.56 0.00 0.00 179.97 180.83 1b28 h LYS 24 N 0.69 -0.62 -0.89 0.04 1.63 -0.42 -2.52 116.57 114.48 1b28 h LYS 24 Ca 0.14 0.04 0.11 0.00 -0.85 0.00 0.00 60.65 60.09 1b28 h LYS 24 Cb 0.43 0.14 -0.07 0.00 -0.60 0.00 0.00 32.23 32.14 1b28 h LYS 24 CO 0.02 -0.35 0.58 0.28 -3.45 0.00 0.00 179.45 176.53 1b28 h VAL 25 N -0.80 0.94 -0.26 2.00 2.07 -1.16 -1.59 116.25 117.45 1b28 h VAL 25 Ca -0.07 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 1b28 h VAL 25 Cb 0.56 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1b28 h VAL 25 CO 0.11 0.15 0.02 0.00 0.02 0.00 0.00 177.57 177.87 1b28 h ALA 26 N 1.56 1.56 -0.13 1.67 0.00 -1.11 -2.10 119.26 120.71 1b28 h ALA 26 Ca 0.42 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 55.09 1b28 h ALA 26 Cb 0.47 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1b28 h ALA 26 CO -0.19 0.32 -0.31 0.93 0.00 0.00 0.00 179.25 180.01 1b28 h GLU 27 N 0.37 0.45 0.10 0.00 5.08 -0.86 -0.49 114.58 119.22 1b28 h GLU 27 Ca 0.09 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1b28 h GLU 27 Cb 0.22 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1b28 h GLU 27 CO 0.00 0.91 -0.09 0.93 -1.00 0.00 0.00 179.01 179.76 1b28 h GLU 28 N 0.05 -0.20 0.00 2.33 5.08 -1.11 -1.96 114.58 118.76 1b28 h GLU 28 Ca -0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1b28 h GLU 28 Cb 0.91 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.21 1b28 h GLU 28 CO 0.07 -0.14 0.00 0.09 -1.00 0.00 0.00 179.01 178.03 1b28 n ASN 29 N -5.21 0.20 -3.04 1.42 3.02 -0.82 -4.96 115.26 105.87 1b28 n ASN 29 Ca -0.07 0.52 -0.13 0.00 -0.03 0.00 0.00 54.58 54.86 1b28 n ASN 29 Cb 0.13 -0.57 0.06 0.00 -0.61 0.00 0.00 39.78 38.79 1b28 n ASN 29 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1b28 n GLY 30 N 1.35 -0.80 3.15 7.41 0.00 -0.53 -5.04 105.19 110.72 1b28 n GLY 30 Ca 0.06 0.41 -0.13 0.00 0.00 0.00 0.00 46.02 46.37 1b28 n GLY 30 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1b28 s MET 31 N -4.36 0.36 0.53 1.61 0.00 -0.31 -5.03 119.30 112.11 1b28 s MET 31 Ca 0.34 0.20 -0.21 0.00 0.00 0.00 0.00 55.69 56.03 1b28 s MET 31 Cb -0.04 0.17 -0.05 0.00 0.00 0.00 0.00 34.83 34.90 1b28 s MET 31 CO 0.64 -0.06 1.22 -1.12 0.00 0.00 0.00 175.02 175.70 1b28 s SER 32 N -0.21 5.60 0.33 1.11 0.01 -1.26 -4.63 113.70 114.65 1b28 s SER 32 Ca -0.03 2.42 0.04 0.00 1.31 0.00 0.00 55.95 59.69 1b28 s SER 32 Cb -0.03 -2.61 0.58 0.00 0.21 0.00 0.00 66.02 64.17 1b28 s SER 32 CO 0.01 -1.32 1.86 -0.37 0.41 0.00 0.00 173.24 173.83 1b28 h VAL 33 N 1.38 1.20 0.11 3.43 -1.51 -1.94 -1.55 116.25 117.38 1b28 h VAL 33 Ca -0.50 -0.83 0.00 0.00 -1.23 0.00 0.00 66.70 64.14 1b28 h VAL 33 Cb 1.28 0.98 -0.01 0.00 -2.13 0.00 0.00 31.29 31.40 1b28 h VAL 33 CO 0.57 0.28 -0.12 0.78 -1.23 0.00 0.00 177.57 177.86 1b28 h ASN 34 N 0.50 -0.31 1.16 4.19 4.21 -2.01 -2.47 115.58 120.86 1b28 h ASN 34 Ca 0.11 0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.65 1b28 h ASN 34 Cb 0.36 0.11 0.00 0.00 -1.12 0.00 0.00 38.32 37.67 1b28 h ASN 34 CO 0.01 -0.18 0.00 0.28 -1.29 0.00 0.00 177.43 176.26 1b28 h SER 35 N -0.26 0.00 0.36 5.81 0.02 -1.93 -2.53 113.55 115.01 1b28 h SER 35 Ca 0.01 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 1b28 h SER 35 Cb 0.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.79 1b28 h SER 35 CO -0.04 0.00 -0.17 0.22 -1.14 0.00 0.00 176.83 175.70 1b28 h TYR 36 N 0.00 -0.44 0.00 3.45 3.20 -0.82 -0.63 116.97 121.73 1b28 h TYR 36 Ca 0.00 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 1b28 h TYR 36 Cb 0.58 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 1b28 h TYR 36 CO 0.00 -0.19 -0.33 0.82 -1.64 0.00 0.00 178.16 176.81 1b28 h ILE 37 N -1.07 1.03 -0.58 1.81 5.03 -1.63 -0.67 117.51 121.43 1b28 h ILE 37 Ca -0.05 -1.24 0.02 0.00 -0.12 0.00 0.00 64.86 63.48 1b28 h ILE 37 Cb 0.45 1.71 -0.03 0.00 -3.03 0.00 0.00 36.82 35.92 1b28 h ILE 37 CO 0.08 0.33 0.38 0.22 -0.68 0.00 0.00 178.15 178.48 1b28 h TYR 38 N 0.00 0.67 0.00 1.37 3.20 -1.47 -1.36 116.97 119.38 1b28 h TYR 38 Ca -0.00 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.83 1b28 h TYR 38 Cb 0.68 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 1b28 h TYR 38 CO 0.00 0.40 -0.25 0.37 -1.64 0.00 0.00 178.16 177.04 1b28 h GLN 39 N 0.71 0.00 0.00 1.82 5.75 0.33 -2.59 115.11 121.13 1b28 h GLN 39 Ca 0.23 0.00 -0.22 0.00 -0.15 0.00 0.00 58.65 58.50 1b28 h GLN 39 Cb 0.04 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.55 1b28 h GLN 39 CO -0.06 0.25 -1.09 -0.07 -2.65 0.00 0.00 178.83 175.21 1b28 h LEU 40 N 0.00 0.01 -0.90 -2.39 3.38 -0.39 0.13 115.31 115.15 1b28 h LEU 40 Ca -0.00 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1b28 h LEU 40 Cb 1.09 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1b28 h LEU 40 CO 0.03 1.01 -0.48 -0.37 0.09 0.00 0.00 178.44 178.72 1b28 h VAL 41 N 0.00 1.18 0.00 1.22 -1.51 -1.34 -1.34 116.25 114.47 1b28 h VAL 41 Ca -0.05 -1.76 -0.13 0.00 -1.23 0.00 0.00 66.70 63.54 1b28 h VAL 41 Cb 1.81 2.00 -0.02 0.00 -2.13 0.00 0.00 31.29 32.94 1b28 h VAL 41 CO 0.13 0.47 -0.73 0.24 -1.23 0.00 0.00 177.57 176.45 1b28 h MET 42 N 0.00 0.00 0.00 5.19 2.86 -1.33 0.23 114.93 121.88 1b28 h MET 42 Ca -0.00 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.55 1b28 h MET 42 Cb 0.96 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.60 1b28 h MET 42 CO 0.06 0.50 -0.40 0.93 1.06 0.00 0.00 176.91 179.06 1b28 h GLU 43 N 0.00 0.00 0.00 1.72 5.08 -0.69 -3.32 114.58 117.36 1b28 h GLU 43 Ca -0.04 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1b28 h GLU 43 Cb 1.46 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.71 1b28 h GLU 43 CO 0.07 0.40 -0.00 1.03 -1.00 0.00 0.00 179.01 179.50 1b28 h SER 44 N 0.00 0.00 -1.90 1.42 0.87 -1.19 -3.40 113.55 109.35 1b28 h SER 44 Ca -0.00 -0.88 -0.49 0.00 -1.23 0.00 0.00 61.79 59.18 1b28 h SER 44 Cb 1.19 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.12 1b28 h SER 44 CO 0.05 0.94 1.35 -0.36 -0.53 0.00 0.00 176.83 178.28 1b28 s PHE 45 N -2.14 1.63 0.00 2.24 0.08 0.82 -2.87 117.98 117.73 1b28 s PHE 45 Ca -0.17 0.83 0.00 0.00 0.12 0.00 0.00 56.93 57.71 1b28 s PHE 45 Cb -0.03 -4.05 0.00 0.00 -0.57 0.00 0.00 43.02 38.37 1b28 s PHE 45 CO 0.61 -2.30 0.00 1.63 -0.10 0.00 0.00 175.22 175.06 1b28 n LYS 46 N 9.17 0.00 -1.60 0.44 5.02 -1.26 -4.29 118.16 125.63 1b28 n LYS 46 Ca 0.22 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 56.10 1b28 n LYS 46 Cb 0.52 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.52 1b28 n LYS 46 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1b28 n LYS 47 N 0.00 3.08 0.00 1.97 0.00 -1.14 -2.38 118.16 119.69 1b28 n LYS 47 Ca 0.00 -2.48 0.00 0.00 0.00 0.00 0.00 58.31 55.83 1b28 n LYS 47 Cb 0.00 -3.15 0.00 0.00 0.00 0.00 0.00 35.03 31.88 1b28 n LYS 47 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1b28 n GLU 48 N 5.40 0.00 0.00 1.64 2.13 -1.26 -5.02 120.64 123.53 1b28 n GLU 48 Ca 0.59 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.41 1b28 n GLU 48 Cb 0.34 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.05 1b28 n GLU 48 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1b28 n GLY 49 N 0.00 0.62 0.00 8.31 0.00 -1.00 -4.96 105.19 108.16 1b28 n GLY 49 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1b28 n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b28 n ARG 50 N 0.00 0.00 -0.18 1.61 3.00 -1.26 -4.46 116.66 115.36 1b28 n ARG 50 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1b28 n ARG 50 Cb 0.00 -0.07 0.23 0.00 0.00 0.00 0.00 32.46 32.62 1b28 n ARG 50 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.63 178.60 1b28 h ILE 51 N 0.00 1.20 -1.61 0.55 6.09 -1.94 -3.41 117.51 118.39 1b28 h ILE 51 Ca 0.00 -0.48 -0.11 0.00 -1.37 0.00 0.00 64.86 62.89 1b28 h ILE 51 Cb 0.00 0.28 -0.27 0.00 0.47 0.00 0.00 36.82 37.29 1b28 h ILE 51 CO 0.00 0.22 -0.46 -0.83 -3.07 0.00 0.00 178.15 174.01 1b28 s GLY 52 N -3.46 -0.64 0.00 8.18 0.00 -1.26 -5.12 107.32 105.02 1b28 s GLY 52 Ca -0.11 0.78 0.30 0.00 0.00 0.00 0.00 44.72 45.69 1b28 s GLY 52 CO 0.79 3.02 1.99 0.00 0.00 0.00 0.00 173.10 178.89