#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 2.09 0.24 -2.82 1.81 -1.26 -5.10 118.95 113.91 1x93 s ARG 32 Ca 0.00 -1.53 -0.31 0.00 -1.72 0.00 0.00 55.73 52.17 1x93 s ARG 32 Cb 0.00 -3.20 -0.11 0.00 -0.45 0.00 0.00 34.95 31.19 1x93 s ARG 32 CO 0.00 -0.77 1.63 0.00 -0.68 0.00 0.00 175.30 175.49 1x93 s ALA 33 N 1.12 3.82 -0.36 2.13 0.00 -1.26 -5.00 121.76 122.21 1x93 s ALA 33 Ca 0.00 1.55 0.00 0.00 0.00 0.00 0.00 51.96 53.51 1x93 s ALA 33 Cb -0.20 -3.66 0.12 0.00 0.00 0.00 0.00 23.12 19.38 1x93 s ALA 33 CO -0.04 -0.93 0.16 0.08 0.00 0.00 0.00 175.76 175.03 1x93 s VAL 34 N 0.58 0.94 -0.30 0.00 1.01 -1.26 -5.10 120.40 116.26 1x93 s VAL 34 Ca 0.68 -1.82 -0.01 0.00 0.00 0.00 0.00 61.98 60.83 1x93 s VAL 34 Cb -0.48 -1.69 0.06 0.00 0.00 0.00 0.00 36.38 34.27 1x93 s VAL 34 CO 0.40 -0.79 -0.00 -0.55 0.00 0.00 0.00 175.10 174.15 1x93 s SER 35 N 1.13 4.84 0.26 3.32 0.15 -1.26 -5.10 113.70 117.04 1x93 s SER 35 Ca 0.14 -1.35 0.07 0.00 0.70 0.00 0.00 55.95 55.51 1x93 s SER 35 Cb -0.20 -1.69 -0.05 0.00 -1.71 0.00 0.00 66.02 62.36 1x93 s SER 35 CO -0.13 -0.27 -0.09 -0.76 1.20 0.00 0.00 173.24 173.19 1x93 s LEU 36 N 1.22 2.51 -0.60 3.45 1.43 -1.26 -5.12 118.68 120.31 1x93 s LEU 36 Ca -0.05 -1.13 0.05 0.00 -1.03 0.00 0.00 54.13 51.97 1x93 s LEU 36 Cb -0.20 -0.67 0.18 0.00 0.03 0.00 0.00 46.19 45.52 1x93 s LEU 36 CO -0.02 -0.27 0.47 -1.22 0.23 0.00 0.00 176.35 175.54 1x93 n TYR 37 N -0.53 1.89 -1.71 0.29 4.01 -1.26 -5.10 117.16 114.75 1x93 n TYR 37 Ca -0.06 -3.97 -0.30 0.00 -0.16 0.00 0.00 57.90 53.41 1x93 n TYR 37 Cb 0.62 -0.34 0.08 0.00 -0.31 0.00 0.00 39.34 39.39 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 -1.07 2.96 0.41 -0.72 0.40 -1.26 -5.12 117.98 113.58 1x93 s PHE 38 Ca 0.29 1.01 0.05 0.00 -0.60 0.00 0.00 56.93 57.68 1x93 s PHE 38 Cb 0.00 -3.21 -0.06 0.00 0.51 0.00 0.00 43.02 40.27 1x93 s PHE 38 CO -0.17 -1.68 0.03 0.45 0.70 0.00 0.00 175.22 174.55 1x93 s SER 39 N -4.17 3.52 0.12 1.36 0.15 -1.26 -4.96 113.70 108.46 1x93 s SER 39 Ca 0.61 -1.45 -0.26 0.00 0.70 0.00 0.00 55.95 55.55 1x93 s SER 39 Cb -0.13 -0.07 -0.05 0.00 -1.71 0.00 0.00 66.02 64.06 1x93 s SER 39 CO 0.52 -0.60 1.63 0.44 1.20 0.00 0.00 173.24 176.43 1x93 h ASP 40 N 1.76 -0.77 0.08 5.45 3.32 -1.99 -0.05 116.42 124.21 1x93 h ASP 40 Ca -0.43 0.11 0.02 0.00 0.02 0.00 0.00 57.03 56.75 1x93 h ASP 40 Cb 1.26 0.32 -0.03 0.00 0.22 0.00 0.00 39.33 41.10 1x93 h ASP 40 CO 0.75 -0.33 -0.19 -0.33 -1.72 0.00 0.00 179.24 177.42 1x93 h GLU 41 N -0.39 -0.34 -0.88 3.56 4.39 -1.98 0.93 114.58 119.86 1x93 h GLU 41 Ca 0.07 0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.83 1x93 h GLU 41 Cb 0.48 0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 29.16 1x93 h GLU 41 CO -0.24 -0.23 0.57 1.96 -1.16 0.00 0.00 179.01 179.91 1x93 h GLN 42 N -0.36 1.06 -0.03 2.33 7.50 -1.86 -0.68 115.11 123.07 1x93 h GLN 42 Ca 0.03 -0.06 -0.01 0.00 0.50 0.00 0.00 58.65 59.11 1x93 h GLN 42 Cb 0.39 -0.24 -0.00 0.00 0.05 0.00 0.00 27.48 27.68 1x93 h GLN 42 CO -0.13 0.70 -0.04 -0.92 -1.50 0.00 0.00 178.83 176.95 1x93 h TYR 43 N 1.09 0.09 -0.97 2.96 3.20 -0.80 -2.97 116.97 119.58 1x93 h TYR 43 Ca 0.36 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.20 1x93 h TYR 43 Cb 0.03 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.23 1x93 h TYR 43 CO -0.02 0.58 0.62 1.96 -1.64 0.00 0.00 178.16 179.66 1x93 h GLN 44 N -0.42 1.30 -0.67 1.82 7.50 -0.63 0.10 115.11 124.11 1x93 h GLN 44 Ca 0.00 -0.10 -0.00 0.00 0.50 0.00 0.00 58.65 59.05 1x93 h GLN 44 Cb 0.57 -0.28 -0.03 0.00 0.05 0.00 0.00 27.48 27.79 1x93 h GLN 44 CO 0.01 0.88 0.41 0.87 -1.50 0.00 0.00 178.83 179.50 1x93 h LYS 45 N 1.33 0.91 -0.19 1.46 6.56 -1.22 -1.20 116.57 124.21 1x93 h LYS 45 Ca 0.35 -0.08 -0.08 0.00 -1.06 0.00 0.00 60.65 59.79 1x93 h LYS 45 Cb -0.11 -0.19 -0.01 0.00 -0.57 0.00 0.00 32.23 31.35 1x93 h LYS 45 CO -0.07 0.64 -0.22 -0.07 -2.06 0.00 0.00 179.45 177.67 1x93 h LEU 46 N 0.91 0.34 -0.61 2.94 3.38 -1.14 -1.62 115.31 119.51 1x93 h LEU 46 Ca 0.24 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 1x93 h LEU 46 Cb -0.04 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1x93 h LEU 46 CO -0.05 0.57 0.11 -0.08 0.09 0.00 0.00 178.44 179.09 1x93 h GLU 47 N 0.31 1.00 -0.51 1.13 4.81 -0.52 0.15 114.58 120.95 1x93 h GLU 47 Ca 0.05 -0.26 -0.05 0.00 -0.13 0.00 0.00 59.36 58.98 1x93 h GLU 47 Cb 0.56 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 1x93 h GLU 47 CO 0.04 0.93 0.13 0.87 -0.73 0.00 0.00 179.01 180.24 1x93 h LYS 48 N 0.90 0.78 -0.12 1.92 1.79 -0.88 -2.06 116.57 118.90 1x93 h LYS 48 Ca 0.19 -0.15 -0.04 0.00 -2.18 0.00 0.00 60.65 58.46 1x93 h LYS 48 Cb 0.40 -0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 30.93 1x93 h LYS 48 CO 0.01 0.70 -0.09 0.52 -1.08 0.00 0.00 179.45 179.51 1x93 h MET 49 N 0.76 0.28 0.00 3.15 2.86 -1.17 -3.30 114.93 117.51 1x93 h MET 49 Ca 0.17 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 1x93 h MET 49 Cb 0.28 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 1x93 h MET 49 CO -0.00 0.65 -0.04 0.00 1.06 0.00 0.00 176.91 178.57 1x93 h ALA 50 N 0.62 1.46 -0.11 6.32 0.00 -0.44 -1.35 119.26 125.76 1x93 h ALA 50 Ca 0.02 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1x93 h ALA 50 Cb 0.58 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1x93 h ALA 50 CO 0.02 0.06 0.12 -0.97 0.00 0.00 0.00 179.25 178.48 1x93 h ASN 51 N 0.00 0.00 1.10 0.00 -1.24 -1.46 0.19 115.58 114.17 1x93 h ASN 51 Ca -0.00 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 56.92 1x93 h ASN 51 Cb 0.12 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.16 1x93 h ASN 51 CO 0.01 0.00 -0.41 -0.33 -1.29 0.00 0.00 177.43 175.41 1x93 h GLU 52 N 0.00 0.00 -0.04 6.67 5.08 -1.44 -2.39 114.58 122.46 1x93 h GLU 52 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1x93 h GLU 52 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1x93 h GLU 52 CO -0.00 0.41 0.00 -1.91 -1.00 0.00 0.00 179.01 176.51 1x93 n GLU 53 N -3.39 1.49 -2.66 2.33 4.07 -0.31 -4.95 120.64 117.23 1x93 n GLU 53 Ca 0.01 -0.71 -0.06 0.00 -0.06 0.00 0.00 57.16 56.33 1x93 n GLU 53 Cb 0.59 -1.46 0.03 0.00 -0.06 0.00 0.00 31.44 30.54 1x93 n GLU 53 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1x93 n GLU 54 N -0.12 -2.29 -2.72 5.31 2.13 -0.60 -4.57 120.64 117.79 1x93 n GLU 54 Ca 0.19 0.26 -0.01 0.00 0.66 0.00 0.00 57.16 58.26 1x93 n GLU 54 Cb 0.28 -3.55 -0.01 0.00 0.27 0.00 0.00 31.44 28.43 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 -1.93 -3.59 -2.83 5.31 1.02 0.50 -4.93 120.64 114.18 1x93 n GLU 55 Ca -0.04 2.84 -0.00 0.00 -0.02 0.00 0.00 57.16 59.94 1x93 n GLU 55 Cb 0.53 -5.22 0.05 0.00 -0.02 0.00 0.00 31.44 26.78 1x93 n GLU 55 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1x93 n SER 56 N 0.87 1.46 -4.66 1.62 2.88 -1.25 -5.00 113.62 109.56 1x93 n SER 56 Ca -0.06 -2.03 -0.44 0.00 -1.33 0.00 0.00 58.87 55.01 1x93 n SER 56 Cb 0.11 -0.44 -0.02 0.00 -0.75 0.00 0.00 64.21 63.11 1x93 n SER 56 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1x93 n VAL 57 N -0.63 1.62 0.00 2.46 0.24 -1.26 -2.30 118.33 118.45 1x93 n VAL 57 Ca 0.06 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 61.96 1x93 n VAL 57 Cb 0.80 -1.36 0.00 0.00 -1.47 0.00 0.00 33.84 31.81 1x93 n VAL 57 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1x93 n GLY 58 N 1.36 2.52 0.34 7.63 0.00 -1.26 -4.70 105.19 111.08 1x93 n GLY 58 Ca 0.08 -0.54 -0.05 0.00 0.00 0.00 0.00 46.02 45.51 1x93 n GLY 58 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1x93 h SER 59 N 0.00 1.09 -0.92 1.61 0.87 -1.94 -1.90 113.55 112.36 1x93 h SER 59 Ca 0.00 -0.16 0.10 0.00 -1.23 0.00 0.00 61.79 60.50 1x93 h SER 59 Cb 0.00 -0.28 -0.07 0.00 -0.44 0.00 0.00 62.40 61.61 1x93 h SER 59 CO 0.00 0.95 0.59 0.22 -0.53 0.00 0.00 176.83 178.06 1x93 h TYR 60 N 1.17 1.01 -0.07 2.24 5.03 -1.74 -0.50 116.97 124.11 1x93 h TYR 60 Ca 0.27 0.03 0.04 0.00 2.58 0.00 0.00 58.73 61.65 1x93 h TYR 60 Cb 0.18 -0.33 -0.06 0.00 1.55 0.00 0.00 36.73 38.08 1x93 h TYR 60 CO 0.02 0.46 -0.30 0.97 -1.32 0.00 0.00 178.16 177.99 1x93 h ILE 61 N 0.94 0.33 -0.03 1.81 2.10 -1.65 -0.44 117.51 120.57 1x93 h ILE 61 Ca 0.43 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 66.37 1x93 h ILE 61 Cb 0.39 0.33 -0.00 0.00 -1.09 0.00 0.00 36.82 36.46 1x93 h ILE 61 CO -0.19 0.00 0.01 0.50 -1.08 0.00 0.00 178.15 177.39 1x93 h LYS 62 N -0.40 0.04 -0.87 2.19 3.64 -1.21 -1.42 116.57 118.54 1x93 h LYS 62 Ca 0.08 -0.01 0.21 0.00 -1.27 0.00 0.00 60.65 59.66 1x93 h LYS 62 Cb 0.52 -0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 32.22 1x93 h LYS 62 CO -0.30 0.21 0.36 0.00 -2.27 0.00 0.00 179.45 177.44 1x93 h ARG 63 N -0.14 0.37 0.02 1.90 2.47 -0.90 0.99 114.38 119.09 1x93 h ARG 63 Ca 0.01 -0.02 -0.26 0.00 -1.26 0.00 0.00 59.98 58.45 1x93 h ARG 63 Cb 0.19 -0.08 0.02 0.00 -1.65 0.00 0.00 29.97 28.44 1x93 h ARG 63 CO -0.00 0.24 -1.04 -0.92 0.56 0.00 0.00 179.97 178.81 1x93 h TYR 64 N 0.38 0.87 -0.67 3.04 5.03 -0.75 -0.08 116.97 124.80 1x93 h TYR 64 Ca 0.53 -0.49 -0.01 0.00 2.58 0.00 0.00 58.73 61.35 1x93 h TYR 64 Cb 1.00 -0.09 -0.03 0.00 1.55 0.00 0.00 36.73 39.15 1x93 h TYR 64 CO -0.16 1.32 0.38 0.82 -1.32 0.00 0.00 178.16 179.20 1x93 h ILE 65 N 0.31 1.20 -0.37 1.81 1.08 -0.63 -0.26 117.51 120.66 1x93 h ILE 65 Ca -0.12 -0.48 -0.14 0.00 -0.39 0.00 0.00 64.86 63.72 1x93 h ILE 65 Cb 1.69 0.31 -0.01 0.00 -3.07 0.00 0.00 36.82 35.74 1x93 h ILE 65 CO 0.19 0.22 -0.34 -0.07 -0.69 0.00 0.00 178.15 177.46 1x93 h LEU 66 N 0.91 0.89 -0.92 1.44 4.07 -0.75 -0.60 115.31 120.35 1x93 h LEU 66 Ca 0.24 -0.39 -0.02 0.00 0.08 0.00 0.00 57.88 57.79 1x93 h LEU 66 Cb 0.01 -0.25 -0.04 0.00 1.08 0.00 0.00 40.66 41.46 1x93 h LEU 66 CO -0.04 1.15 0.47 0.50 -1.08 0.00 0.00 178.44 179.44 1x93 h LYS 67 N 0.71 1.24 0.06 1.13 3.64 -0.83 -1.80 116.57 120.71 1x93 h LYS 67 Ca 0.07 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1x93 h LYS 67 Cb 0.91 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1x93 h LYS 67 CO 0.08 0.91 -0.03 0.00 -2.27 0.00 0.00 179.45 178.14 1x93 h ALA 68 N 1.28 -0.08 0.00 5.00 0.00 -0.81 -3.29 119.26 121.36 1x93 h ALA 68 Ca 0.31 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1x93 h ALA 68 Cb 0.05 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1x93 h ALA 68 CO -0.05 -0.50 -0.13 -0.07 0.00 0.00 0.00 179.25 178.50 1x93 h LEU 69 N -0.18 0.00 -1.60 0.00 4.07 -0.67 -0.40 115.31 116.52 1x93 h LEU 69 Ca -0.01 0.00 0.07 0.00 0.08 0.00 0.00 57.88 58.02 1x93 h LEU 69 Cb 0.16 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.86 1x93 h LEU 69 CO 0.01 0.13 0.37 0.03 -1.08 0.00 0.00 178.44 177.91 1x93 h ARG 70 N 0.00 0.46 -0.16 1.13 3.08 -1.40 -3.37 114.38 114.11 1x93 h ARG 70 Ca -0.00 -0.03 -0.25 0.00 0.07 0.00 0.00 59.98 59.77 1x93 h ARG 70 Cb 0.28 -0.10 -0.16 0.00 0.08 0.00 0.00 29.97 30.07 1x93 h ARG 70 CO 0.02 0.30 -0.53 1.17 -1.07 0.00 0.00 179.97 179.86 1x93 n LYS 71 N -4.47 0.83 0.03 0.04 4.81 -0.48 -5.04 118.16 113.88 1x93 n LYS 71 Ca 0.08 -1.90 -0.12 0.00 -0.87 0.00 0.00 58.31 55.51 1x93 n LYS 71 Cb 0.28 -1.36 -0.07 0.00 0.02 0.00 0.00 35.03 33.90 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 2.90 1.01 0.00 3.15 2.04 -1.31 -3.47 117.51 121.83 1x93 h ILE 72 Ca -0.12 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1x93 h ILE 72 Cb 1.04 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 1x93 h ILE 72 CO 0.30 0.01 0.00 1.21 0.00 0.00 0.00 178.15 179.67