#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x93 s ARG 32 N 0.00 3.29 -0.01 1.09 3.00 -1.26 -4.96 118.95 120.10 1x93 s ARG 32 Ca 0.00 -1.58 -0.30 0.00 0.00 0.00 0.00 55.73 53.86 1x93 s ARG 32 Cb 0.00 -5.40 -0.07 0.00 0.00 0.00 0.00 34.95 29.48 1x93 s ARG 32 CO 0.00 -3.05 1.84 0.00 0.00 0.00 0.00 175.30 174.09 1x93 s ALA 33 N 7.38 3.57 -0.32 2.13 0.00 -1.26 -5.01 121.76 128.26 1x93 s ALA 33 Ca 0.60 1.14 -0.01 0.00 0.00 0.00 0.00 51.96 53.70 1x93 s ALA 33 Cb 0.02 -3.81 0.10 0.00 0.00 0.00 0.00 23.12 19.43 1x93 s ALA 33 CO 0.10 -1.54 0.12 0.08 0.00 0.00 0.00 175.76 174.51 1x93 s VAL 34 N 4.40 0.76 -0.21 0.00 1.01 -1.26 -5.12 120.40 119.98 1x93 s VAL 34 Ca 0.82 -1.41 -0.05 0.00 0.00 0.00 0.00 61.98 61.34 1x93 s VAL 34 Cb -0.38 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.40 1x93 s VAL 34 CO 0.36 -0.71 0.01 -0.55 0.00 0.00 0.00 175.10 174.21 1x93 s SER 35 N 1.57 4.81 0.35 3.32 0.15 -1.26 -5.12 113.70 117.52 1x93 s SER 35 Ca 0.11 -0.23 0.06 0.00 0.70 0.00 0.00 55.95 56.59 1x93 s SER 35 Cb -0.18 -1.83 -0.07 0.00 -1.71 0.00 0.00 66.02 62.23 1x93 s SER 35 CO -0.24 0.03 -0.01 -0.76 1.20 0.00 0.00 173.24 173.47 1x93 s LEU 36 N 1.18 2.59 -0.65 3.45 2.01 -1.26 -5.12 118.68 120.88 1x93 s LEU 36 Ca 0.03 -1.31 0.05 0.00 0.01 0.00 0.00 54.13 52.92 1x93 s LEU 36 Cb -0.14 -0.72 0.19 0.00 0.01 0.00 0.00 46.19 45.52 1x93 s LEU 36 CO 0.01 -0.43 0.54 -1.22 1.01 0.00 0.00 176.35 176.26 1x93 n TYR 37 N -0.78 2.82 -1.06 0.29 4.01 -1.26 -5.10 117.16 116.08 1x93 n TYR 37 Ca -0.04 -4.16 -0.29 0.00 -0.16 0.00 0.00 57.90 53.25 1x93 n TYR 37 Cb 0.66 -0.52 0.18 0.00 -0.31 0.00 0.00 39.34 39.35 1x93 n TYR 37 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1x93 s PHE 38 N -1.54 2.00 0.38 -0.72 0.40 -1.26 -5.11 117.98 112.13 1x93 s PHE 38 Ca 0.29 1.09 0.08 0.00 -0.60 0.00 0.00 56.93 57.80 1x93 s PHE 38 Cb 0.02 -3.22 -0.07 0.00 0.51 0.00 0.00 43.02 40.26 1x93 s PHE 38 CO -0.14 -2.97 0.03 -1.12 0.70 0.00 0.00 175.22 171.72 1x93 s SER 39 N -3.27 4.04 0.25 1.36 0.01 -1.26 -4.97 113.70 109.86 1x93 s SER 39 Ca 0.66 -1.19 -0.04 0.00 1.31 0.00 0.00 55.95 56.68 1x93 s SER 39 Cb -0.20 -0.44 0.39 0.00 0.21 0.00 0.00 66.02 65.99 1x93 s SER 39 CO 0.59 -0.38 1.83 -2.24 0.41 0.00 0.00 173.24 173.45 1x93 h ASP 40 N 1.75 0.78 0.27 2.44 2.03 -1.99 -0.21 116.42 121.50 1x93 h ASP 40 Ca -0.43 0.03 -0.01 0.00 -0.73 0.00 0.00 57.03 55.89 1x93 h ASP 40 Cb 1.25 -0.12 0.00 0.00 -0.83 0.00 0.00 39.33 39.63 1x93 h ASP 40 CO 0.74 0.47 -0.13 -0.33 -1.03 0.00 0.00 179.24 178.95 1x93 h GLU 41 N 0.90 -0.36 -0.48 4.15 4.39 -1.98 -0.54 114.58 120.66 1x93 h GLU 41 Ca 0.40 0.02 0.08 0.00 0.34 0.00 0.00 59.36 60.21 1x93 h GLU 41 Cb 0.30 0.08 -0.07 0.00 -0.10 0.00 0.00 28.75 28.96 1x93 h GLU 41 CO -0.22 -0.17 0.09 1.96 -1.16 0.00 0.00 179.01 179.51 1x93 h GLN 42 N -0.47 0.22 -0.09 2.33 7.50 -1.85 0.22 115.11 122.97 1x93 h GLN 42 Ca -0.04 -0.01 -0.00 0.00 0.50 0.00 0.00 58.65 59.10 1x93 h GLN 42 Cb 0.35 -0.05 -0.00 0.00 0.05 0.00 0.00 27.48 27.83 1x93 h GLN 42 CO 0.06 0.14 0.06 -0.92 -1.50 0.00 0.00 178.83 176.67 1x93 h TYR 43 N 0.22 0.12 -0.51 2.96 3.20 -1.00 -2.46 116.97 119.50 1x93 h TYR 43 Ca 0.24 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.07 1x93 h TYR 43 Cb 0.31 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 1x93 h TYR 43 CO -0.23 0.11 0.18 1.96 -1.64 0.00 0.00 178.16 178.54 1x93 h GLN 44 N 0.09 0.78 -0.61 1.82 4.20 -0.74 -0.30 115.11 120.35 1x93 h GLN 44 Ca 0.03 -0.16 0.02 0.00 0.06 0.00 0.00 58.65 58.61 1x93 h GLN 44 Cb 0.03 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.65 1x93 h GLN 44 CO -0.01 0.71 0.38 0.87 -0.67 0.00 0.00 178.83 180.12 1x93 h LYS 45 N 0.69 0.73 -0.49 1.46 6.56 -0.94 0.17 116.57 124.76 1x93 h LYS 45 Ca 0.17 -0.04 -0.04 0.00 -1.06 0.00 0.00 60.65 59.67 1x93 h LYS 45 Cb 0.24 -0.17 -0.02 0.00 -0.57 0.00 0.00 32.23 31.72 1x93 h LYS 45 CO -0.01 0.49 0.15 -0.07 -2.06 0.00 0.00 179.45 177.95 1x93 h LEU 46 N 0.76 0.71 -0.98 2.94 -0.00 -1.13 -1.33 115.31 116.28 1x93 h LEU 46 Ca 0.24 -0.21 -0.04 0.00 -0.00 0.00 0.00 57.88 57.88 1x93 h LEU 46 Cb -0.01 -0.19 -0.03 0.00 -0.00 0.00 0.00 40.66 40.43 1x93 h LEU 46 CO -0.09 0.73 0.30 -0.08 -0.00 0.00 0.00 178.44 179.30 1x93 h GLU 47 N 0.66 1.03 -0.16 1.13 4.81 -0.82 -0.59 114.58 120.63 1x93 h GLU 47 Ca 0.16 -0.17 -0.11 0.00 -0.13 0.00 0.00 59.36 59.11 1x93 h GLU 47 Cb 0.27 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1x93 h GLU 47 CO -0.00 0.83 -0.37 -0.22 -0.73 0.00 0.00 179.01 178.51 1x93 h LYS 48 N 1.01 0.35 0.02 1.92 3.64 -0.43 0.40 116.57 123.49 1x93 h LYS 48 Ca 0.24 -0.16 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1x93 h LYS 48 Cb 0.17 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1x93 h LYS 48 CO -0.02 0.67 -0.01 0.52 -2.27 0.00 0.00 179.45 178.34 1x93 h MET 49 N 0.30 -0.03 0.00 1.90 2.86 -1.09 -3.31 114.93 115.55 1x93 h MET 49 Ca 0.03 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.65 1x93 h MET 49 Cb 0.79 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.45 1x93 h MET 49 CO 0.06 0.32 -0.10 0.00 1.06 0.00 0.00 176.91 178.25 1x93 h ALA 50 N 0.58 1.65 -0.32 6.32 0.00 -0.73 -1.71 119.26 125.06 1x93 h ALA 50 Ca -0.00 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 54.91 1x93 h ALA 50 Cb 0.36 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1x93 h ALA 50 CO 0.01 0.13 0.26 -0.97 0.00 0.00 0.00 179.25 178.67 1x93 h ASN 51 N 0.00 0.00 0.35 0.00 -1.24 -1.01 0.13 115.58 113.82 1x93 h ASN 51 Ca -0.00 0.00 -0.12 0.00 0.71 0.00 0.00 56.30 56.89 1x93 h ASN 51 Cb 0.20 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.24 1x93 h ASN 51 CO 0.01 0.00 -0.49 -0.08 -1.29 0.00 0.00 177.43 175.59 1x93 h GLU 52 N 0.00 0.16 -0.04 6.67 4.57 -1.46 -2.76 114.58 121.71 1x93 h GLU 52 Ca 0.15 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1x93 h GLU 52 Cb 0.66 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.26 1x93 h GLU 52 CO -0.00 0.62 0.00 0.39 -1.18 0.00 0.00 179.01 178.84 1x93 n GLU 53 N -3.96 1.77 -2.12 1.92 -0.58 -0.40 -4.96 120.64 112.31 1x93 n GLU 53 Ca -0.02 -1.13 -0.02 0.00 -0.42 0.00 0.00 57.16 55.58 1x93 n GLU 53 Cb 0.52 -1.47 0.01 0.00 -0.57 0.00 0.00 31.44 29.94 1x93 n GLU 53 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1x93 n GLU 54 N 0.37 -0.68 -2.96 3.49 2.13 -0.40 -4.68 120.64 117.91 1x93 n GLU 54 Ca 0.18 0.09 -0.12 0.00 0.66 0.00 0.00 57.16 57.98 1x93 n GLU 54 Cb 0.39 -2.79 0.01 0.00 0.27 0.00 0.00 31.44 29.32 1x93 n GLU 54 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1x93 n GLU 55 N -1.37 -2.40 -0.41 5.31 4.71 0.33 -4.93 120.64 121.88 1x93 n GLU 55 Ca -0.03 2.06 0.06 0.00 -0.01 0.00 0.00 57.16 59.24 1x93 n GLU 55 Cb 0.52 -4.74 0.19 0.00 -1.01 0.00 0.00 31.44 26.40 1x93 n GLU 55 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1x93 n SER 56 N -0.01 2.27 -0.25 1.62 3.41 -1.25 -4.99 113.62 114.42 1x93 n SER 56 Ca 0.05 -3.49 -0.01 0.00 -0.26 0.00 0.00 58.87 55.17 1x93 n SER 56 Cb 0.42 -0.51 0.05 0.00 -0.26 0.00 0.00 64.21 63.91 1x93 n SER 56 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1x93 h VAL 57 N 0.69 0.20 -0.80 -3.33 2.07 -1.90 0.43 116.25 113.61 1x93 h VAL 57 Ca 0.03 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.58 1x93 h VAL 57 Cb 1.13 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 1x93 h VAL 57 CO 0.07 0.00 0.53 1.23 0.02 0.00 0.00 177.57 179.42 1x93 h GLY 58 N -0.06 1.13 1.44 2.17 0.00 -1.97 -0.82 103.07 104.96 1x93 h GLY 58 Ca 0.31 -0.40 -0.24 0.00 0.00 0.00 0.00 47.33 47.01 1x93 h GLY 58 CO -0.76 0.35 -0.95 1.76 0.00 0.00 0.00 176.54 176.94 1x93 h SER 59 N 1.01 0.65 -0.78 0.19 0.02 -1.43 -3.23 113.55 109.98 1x93 h SER 59 Ca 0.31 -0.52 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 1x93 h SER 59 Cb 0.01 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.31 1x93 h SER 59 CO -0.09 1.31 0.50 0.22 -1.14 0.00 0.00 176.83 177.63 1x93 h TYR 60 N 0.29 1.01 0.03 3.45 5.03 -0.13 0.17 116.97 126.82 1x93 h TYR 60 Ca -0.09 0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.26 1x93 h TYR 60 Cb 1.59 -0.34 -0.05 0.00 1.55 0.00 0.00 36.73 39.48 1x93 h TYR 60 CO 0.07 0.66 -0.43 0.82 -1.32 0.00 0.00 178.16 177.96 1x93 h ILE 61 N 1.07 0.14 -0.50 1.81 2.04 -1.30 -0.58 117.51 120.20 1x93 h ILE 61 Ca 0.28 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.14 1x93 h ILE 61 Cb -0.08 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.12 1x93 h ILE 61 CO -0.06 0.00 0.30 0.50 0.00 0.00 0.00 178.15 178.89 1x93 h LYS 62 N -0.60 0.68 -0.98 2.37 3.64 -1.47 -2.46 116.57 117.76 1x93 h LYS 62 Ca 0.04 -0.06 0.10 0.00 -1.27 0.00 0.00 60.65 59.45 1x93 h LYS 62 Cb 0.67 -0.14 -0.07 0.00 -0.41 0.00 0.00 32.23 32.27 1x93 h LYS 62 CO -0.30 0.50 0.63 -0.09 -2.27 0.00 0.00 179.45 177.92 1x93 h ARG 63 N 0.67 0.99 -0.42 1.90 9.65 -0.48 -0.71 114.38 125.97 1x93 h ARG 63 Ca 0.18 -0.06 -0.13 0.00 -1.10 0.00 0.00 59.98 58.87 1x93 h ARG 63 Cb -0.00 -0.22 -0.01 0.00 -1.39 0.00 0.00 29.97 28.35 1x93 h ARG 63 CO -0.03 0.66 -0.25 -0.92 2.80 0.00 0.00 179.97 182.23 1x93 h TYR 64 N 1.02 1.05 -0.66 2.20 5.03 -0.64 0.14 116.97 125.11 1x93 h TYR 64 Ca 0.46 -0.27 -0.02 0.00 2.58 0.00 0.00 58.73 61.48 1x93 h TYR 64 Cb 0.38 -0.24 -0.03 0.00 1.55 0.00 0.00 36.73 38.39 1x93 h TYR 64 CO -0.00 1.07 0.34 0.82 -1.32 0.00 0.00 178.16 179.07 1x93 h ILE 65 N 0.73 1.22 -0.21 1.81 1.08 -1.16 -1.17 117.51 119.80 1x93 h ILE 65 Ca 0.09 -0.59 -0.15 0.00 -0.39 0.00 0.00 64.86 63.82 1x93 h ILE 65 Cb 0.82 0.39 -0.01 0.00 -3.07 0.00 0.00 36.82 34.95 1x93 h ILE 65 CO 0.07 0.25 -0.48 -0.07 -0.69 0.00 0.00 178.15 177.23 1x93 h LEU 66 N 0.91 0.60 -0.62 1.44 4.07 -0.88 0.08 115.31 120.92 1x93 h LEU 66 Ca 0.23 -0.30 0.01 0.00 0.08 0.00 0.00 57.88 57.91 1x93 h LEU 66 Cb 0.09 -0.17 -0.03 0.00 1.08 0.00 0.00 40.66 41.62 1x93 h LEU 66 CO -0.03 0.99 0.40 0.50 -1.08 0.00 0.00 178.44 179.22 1x93 h LYS 67 N 0.44 0.79 -0.57 1.13 3.64 -0.54 -2.50 116.57 118.96 1x93 h LYS 67 Ca 0.02 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.25 1x93 h LYS 67 Cb 1.00 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.62 1x93 h LYS 67 CO 0.09 0.52 -0.06 0.00 -2.27 0.00 0.00 179.45 177.74 1x93 h ALA 68 N 1.24 0.82 0.00 5.00 0.00 -0.97 -3.30 119.26 122.05 1x93 h ALA 68 Ca 0.24 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1x93 h ALA 68 Cb -0.05 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1x93 h ALA 68 CO -0.07 0.67 -0.11 1.25 0.00 0.00 0.00 179.25 181.00 1x93 h LEU 69 N 0.94 0.00 -1.40 0.00 5.85 -0.53 -1.43 115.31 118.74 1x93 h LEU 69 Ca 0.16 0.00 0.13 0.00 0.84 0.00 0.00 57.88 59.01 1x93 h LEU 69 Cb 0.62 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.59 1x93 h LEU 69 CO 0.04 0.11 0.53 0.03 -0.34 0.00 0.00 178.44 178.81 1x93 h ARG 70 N 0.00 0.60 -0.88 1.25 3.08 -1.59 -3.36 114.38 113.48 1x93 h ARG 70 Ca -0.00 -0.04 -0.26 0.00 0.07 0.00 0.00 59.98 59.75 1x93 h ARG 70 Cb 0.21 -0.13 -0.20 0.00 0.08 0.00 0.00 29.97 29.93 1x93 h ARG 70 CO 0.01 0.39 -0.60 1.17 -1.07 0.00 0.00 179.97 179.88 1x93 n LYS 71 N -4.52 0.60 -0.28 0.04 4.81 -0.62 -5.02 118.16 113.17 1x93 n LYS 71 Ca 0.15 -2.16 0.15 0.00 -0.87 0.00 0.00 58.31 55.58 1x93 n LYS 71 Cb 0.45 -1.47 0.43 0.00 0.02 0.00 0.00 35.03 34.45 1x93 n LYS 71 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 1x93 h ILE 72 N 3.96 0.74 0.00 3.15 1.08 -1.48 -3.48 117.51 121.47 1x93 h ILE 72 Ca 0.01 -0.20 0.00 0.00 -0.39 0.00 0.00 64.86 64.28 1x93 h ILE 72 Cb 1.04 0.11 0.00 0.00 -3.07 0.00 0.00 36.82 34.90 1x93 h ILE 72 CO 0.21 0.11 0.00 1.21 -0.69 0.00 0.00 178.15 178.98