#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 2.51 -0.22 1.09 1.81 -1.26 -5.10 118.95 117.78 1x93 s ARG 32 Ca 0.00 0.00 0.01 0.00 -1.72 0.00 0.00 55.73 54.02 1x93 s ARG 32 Cb 0.00 -2.15 0.05 0.00 -0.45 0.00 0.00 34.95 32.41 1x93 s ARG 32 CO 0.00 -1.08 -0.07 0.00 -0.68 0.00 0.00 175.30 173.47 1x93 s ALA 33 N -3.23 1.90 -0.44 2.13 0.00 -1.26 -5.08 121.76 115.78 1x93 s ALA 33 Ca 0.58 -1.24 0.02 0.00 0.00 0.00 0.00 51.96 51.32 1x93 s ALA 33 Cb -0.11 -1.35 0.13 0.00 0.00 0.00 0.00 23.12 21.80 1x93 s ALA 33 CO 0.47 -1.03 0.24 0.08 0.00 0.00 0.00 175.76 175.51 1x93 s VAL 34 N 1.43 1.50 -0.21 0.00 1.01 -1.26 -5.10 120.40 117.78 1x93 s VAL 34 Ca -0.04 -2.60 0.02 0.00 0.00 0.00 0.00 61.98 59.36 1x93 s VAL 34 Cb -0.18 -2.05 0.03 0.00 0.00 0.00 0.00 36.38 34.18 1x93 s VAL 34 CO -0.07 -0.88 -0.17 -0.55 0.00 0.00 0.00 175.10 173.43 1x93 s SER 35 N 0.32 3.58 0.29 3.32 0.15 -1.26 -5.12 113.70 114.98 1x93 s SER 35 Ca 0.17 -0.90 0.09 0.00 0.70 0.00 0.00 55.95 56.01 1x93 s SER 35 Cb -0.25 -1.50 -0.04 0.00 -1.71 0.00 0.00 66.02 62.52 1x93 s SER 35 CO 0.00 -0.07 0.02 -0.76 1.20 0.00 0.00 173.24 173.64 1x93 s LEU 36 N 1.23 3.16 -0.79 3.45 2.01 -1.26 -5.10 118.68 121.38 1x93 s LEU 36 Ca 0.00 -0.73 0.02 0.00 0.01 0.00 0.00 54.13 53.43 1x93 s LEU 36 Cb -0.15 -1.65 0.19 0.00 0.01 0.00 0.00 46.19 44.59 1x93 s LEU 36 CO -0.10 -0.09 0.62 -0.31 1.01 0.00 0.00 176.35 177.48 1x93 s TYR 37 N -2.38 3.72 1.06 0.29 2.02 -1.26 -5.08 117.35 115.73 1x93 s TYR 37 Ca 0.33 -3.22 -0.17 0.00 -0.37 0.00 0.00 57.07 53.64 1x93 s TYR 37 Cb -0.05 -2.94 0.23 0.00 -0.40 0.00 0.00 41.96 38.81 1x93 s TYR 37 CO 0.20 -0.63 1.22 -0.06 -1.57 0.00 0.00 175.55 174.71 1x93 s PHE 38 N -1.42 1.17 0.36 2.71 0.40 -1.26 -5.13 117.98 114.80 1x93 s PHE 38 Ca 0.26 0.43 0.07 0.00 -0.60 0.00 0.00 56.93 57.09 1x93 s PHE 38 Cb -0.06 -3.77 -0.03 0.00 0.51 0.00 0.00 43.02 39.67 1x93 s PHE 38 CO -0.15 -3.17 0.25 0.45 0.70 0.00 0.00 175.22 173.29 1x93 s SER 39 N -4.39 2.03 0.19 1.36 0.15 -1.26 -5.00 113.70 106.77 1x93 s SER 39 Ca 0.72 -1.76 -0.20 0.00 0.70 0.00 0.00 55.95 55.41 1x93 s SER 39 Cb -0.07 0.57 0.13 0.00 -1.71 0.00 0.00 66.02 64.94 1x93 s SER 39 CO 0.54 -1.05 1.60 0.44 1.20 0.00 0.00 173.24 175.97 1x93 h ASP 40 N 2.02 -1.01 0.24 5.45 3.32 -2.00 -0.35 116.42 124.09 1x93 h ASP 40 Ca -0.27 0.21 0.01 0.00 0.02 0.00 0.00 57.03 56.99 1x93 h ASP 40 Cb 1.24 0.51 -0.04 0.00 0.22 0.00 0.00 39.33 41.27 1x93 h ASP 40 CO 0.41 -0.29 -0.46 -0.33 -1.72 0.00 0.00 179.24 176.85 1x93 h GLU 41 N -0.16 -0.75 -0.80 3.56 4.39 -1.98 0.14 114.58 118.98 1x93 h GLU 41 Ca 0.23 0.05 0.07 0.00 0.34 0.00 0.00 59.36 60.05 1x93 h GLU 41 Cb 0.53 0.17 -0.06 0.00 -0.10 0.00 0.00 28.75 29.28 1x93 h GLU 41 CO -0.63 -0.50 0.47 1.96 -1.16 0.00 0.00 179.01 179.16 1x93 h GLN 42 N -0.78 0.81 -0.07 2.33 4.20 -1.86 -1.02 115.11 118.73 1x93 h GLN 42 Ca -0.01 -0.05 -0.23 0.00 0.06 0.00 0.00 58.65 58.43 1x93 h GLN 42 Cb 0.75 -0.18 0.01 0.00 0.30 0.00 0.00 27.48 28.36 1x93 h GLN 42 CO -0.19 0.54 -0.83 -0.92 -0.67 0.00 0.00 178.83 176.75 1x93 h TYR 43 N 0.84 0.98 -0.22 2.96 5.03 -0.87 -2.84 116.97 122.86 1x93 h TYR 43 Ca 0.37 -0.48 -0.14 0.00 2.58 0.00 0.00 58.73 61.05 1x93 h TYR 43 Cb 0.25 -0.13 -0.01 0.00 1.55 0.00 0.00 36.73 38.39 1x93 h TYR 43 CO -0.05 1.31 -0.46 1.96 -1.32 0.00 0.00 178.16 179.59 1x93 h GLN 44 N 0.37 0.55 -0.82 1.82 7.50 -0.57 -0.80 115.11 123.16 1x93 h GLN 44 Ca -0.08 -0.31 -0.03 0.00 0.50 0.00 0.00 58.65 58.73 1x93 h GLN 44 Cb 1.48 0.02 -0.04 0.00 0.05 0.00 0.00 27.48 29.00 1x93 h GLN 44 CO 0.17 0.90 0.39 0.87 -1.50 0.00 0.00 178.83 179.66 1x93 h LYS 45 N 0.44 1.18 -0.66 1.46 1.57 -1.26 0.10 116.57 119.40 1x93 h LYS 45 Ca 0.03 -0.18 0.01 0.00 -1.87 0.00 0.00 60.65 58.64 1x93 h LYS 45 Cb 0.98 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 33.05 1x93 h LYS 45 CO 0.09 0.91 0.44 -0.07 -0.57 0.00 0.00 179.45 180.25 1x93 h LEU 46 N 1.16 0.76 -1.10 2.94 -0.00 -1.25 -1.72 115.31 116.09 1x93 h LEU 46 Ca 0.28 -0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 58.12 1x93 h LEU 46 Cb 0.12 -0.19 -0.04 0.00 -0.00 0.00 0.00 40.66 40.56 1x93 h LEU 46 CO -0.03 0.55 0.40 -0.08 -0.00 0.00 0.00 178.44 179.28 1x93 h GLU 47 N 0.90 1.03 -0.73 1.13 4.81 -0.71 0.52 114.58 121.52 1x93 h GLU 47 Ca 0.24 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 1x93 h GLU 47 Cb -0.10 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.04 1x93 h GLU 47 CO -0.05 0.75 0.39 -0.22 -0.73 0.00 0.00 179.01 179.15 1x93 h LYS 48 N 1.03 1.03 -0.09 1.92 1.63 -0.41 -1.63 116.57 120.05 1x93 h LYS 48 Ca 0.26 -0.13 -0.02 0.00 -0.85 0.00 0.00 60.65 59.91 1x93 h LYS 48 Cb 0.03 -0.20 -0.00 0.00 -0.60 0.00 0.00 32.23 31.46 1x93 h LYS 48 CO -0.04 0.77 -0.04 0.52 -3.45 0.00 0.00 179.45 177.21 1x93 h MET 49 N 1.01 0.18 -0.05 1.90 2.86 -1.13 -3.31 114.93 116.39 1x93 h MET 49 Ca 0.26 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.81 1x93 h MET 49 Cb 0.06 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.71 1x93 h MET 49 CO -0.04 0.55 -0.02 0.00 1.06 0.00 0.00 176.91 178.46 1x93 h ALA 50 N 0.63 1.88 -0.18 6.32 0.00 -0.68 -1.57 119.26 125.65 1x93 h ALA 50 Ca 0.02 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1x93 h ALA 50 Cb 0.49 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1x93 h ALA 50 CO 0.01 0.10 0.13 -0.97 0.00 0.00 0.00 179.25 178.52 1x93 h ASN 51 N 0.07 0.00 1.26 0.00 -1.24 -1.38 0.10 115.58 114.39 1x93 h ASN 51 Ca 0.02 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.03 1x93 h ASN 51 Cb 0.08 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.13 1x93 h ASN 51 CO 0.00 0.00 0.00 -0.62 -1.29 0.00 0.00 177.43 175.52 1x93 n GLU 52 N -4.48 0.21 -0.14 6.67 -0.58 -0.59 -1.81 120.64 119.91 1x93 n GLU 52 Ca 0.01 0.23 0.10 0.00 -0.42 0.00 0.00 57.16 57.08 1x93 n GLU 52 Cb 0.27 -1.77 0.17 0.00 -0.57 0.00 0.00 31.44 29.54 1x93 n GLU 52 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1x93 n GLU 53 N -2.14 2.26 -2.97 3.49 4.07 -0.56 -5.01 120.64 119.78 1x93 n GLU 53 Ca 0.05 -2.08 -0.13 0.00 -0.06 0.00 0.00 57.16 54.95 1x93 n GLU 53 Cb 0.38 -1.44 0.06 0.00 -0.06 0.00 0.00 31.44 30.37 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 1.26 -2.42 -2.49 5.31 2.13 -0.39 -4.61 120.64 119.43 1x93 n GLU 54 Ca 0.16 0.71 -0.02 0.00 0.66 0.00 0.00 57.16 58.67 1x93 n GLU 54 Cb 0.54 -5.08 -0.02 0.00 0.27 0.00 0.00 31.44 27.15 1x93 n GLU 54 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1x93 n GLU 55 N -3.02 -3.48 -2.67 5.31 2.13 0.21 -4.96 120.64 114.17 1x93 n GLU 55 Ca -0.09 2.76 -0.01 0.00 0.66 0.00 0.00 57.16 60.48 1x93 n GLU 55 Cb 0.60 -4.65 0.05 0.00 0.27 0.00 0.00 31.44 27.71 1x93 n GLU 55 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1x93 n SER 56 N 1.01 1.68 -4.72 4.31 2.88 -1.24 -5.02 113.62 112.52 1x93 n SER 56 Ca -0.18 -2.11 -0.42 0.00 -1.33 0.00 0.00 58.87 54.83 1x93 n SER 56 Cb 0.27 -0.46 -0.03 0.00 -0.75 0.00 0.00 64.21 63.25 1x93 n SER 56 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1x93 s VAL 57 N -3.50 2.69 0.00 2.46 1.01 -1.26 -1.02 120.40 120.79 1x93 s VAL 57 Ca 0.29 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.77 1x93 s VAL 57 Cb 0.33 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 33.39 1x93 s VAL 57 CO -0.05 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.71 1x93 n GLY 58 N 3.53 1.75 0.29 4.51 0.00 -1.26 -4.68 105.19 109.33 1x93 n GLY 58 Ca 0.13 -0.25 0.01 0.00 0.00 0.00 0.00 46.02 45.91 1x93 n GLY 58 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1x93 h SER 59 N 0.00 0.54 -0.96 1.61 0.02 -1.92 -1.54 113.55 111.30 1x93 h SER 59 Ca 0.00 -0.06 0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1x93 h SER 59 Cb 0.00 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.35 1x93 h SER 59 CO 0.00 0.50 0.63 0.22 -1.14 0.00 0.00 176.83 177.03 1x93 h TYR 60 N 0.59 1.18 -0.21 3.45 5.03 -1.35 -1.10 116.97 124.57 1x93 h TYR 60 Ca 0.14 0.03 0.03 0.00 2.58 0.00 0.00 58.73 61.52 1x93 h TYR 60 Cb 0.14 -0.39 -0.03 0.00 1.55 0.00 0.00 36.73 37.99 1x93 h TYR 60 CO 0.01 0.70 -0.01 0.97 -1.32 0.00 0.00 178.16 178.51 1x93 h ILE 61 N 1.23 0.85 0.65 1.81 2.10 -1.57 -0.52 117.51 122.05 1x93 h ILE 61 Ca 0.37 -0.02 -0.03 0.00 1.08 0.00 0.00 64.86 66.27 1x93 h ILE 61 Cb -0.04 0.79 -0.00 0.00 -1.09 0.00 0.00 36.82 36.47 1x93 h ILE 61 CO -0.11 0.01 -0.39 0.50 -1.08 0.00 0.00 178.15 177.08 1x93 h LYS 62 N 0.06 -0.94 -0.93 2.19 3.64 -1.28 -2.92 116.57 116.38 1x93 h LYS 62 Ca 0.10 0.06 0.27 0.00 -1.27 0.00 0.00 60.65 59.81 1x93 h LYS 62 Cb 0.12 0.21 -0.15 0.00 -0.41 0.00 0.00 32.23 32.01 1x93 h LYS 62 CO -0.17 -0.63 0.33 -0.09 -2.27 0.00 0.00 179.45 176.62 1x93 h ARG 63 N -0.98 0.20 -0.20 1.90 9.65 -0.88 -0.86 114.38 123.22 1x93 h ARG 63 Ca -0.08 -0.01 -0.13 0.00 -1.10 0.00 0.00 59.98 58.66 1x93 h ARG 63 Cb 0.79 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.31 1x93 h ARG 63 CO 0.09 0.13 -0.41 -0.92 2.80 0.00 0.00 179.97 181.66 1x93 h TYR 64 N 0.21 0.56 -0.55 2.20 5.03 -0.96 0.75 116.97 124.21 1x93 h TYR 64 Ca 0.63 -0.16 -0.06 0.00 2.58 0.00 0.00 58.73 61.71 1x93 h TYR 64 Cb 1.35 -0.12 -0.02 0.00 1.55 0.00 0.00 36.73 39.49 1x93 h TYR 64 CO -0.20 0.81 0.10 0.82 -1.32 0.00 0.00 178.16 178.37 1x93 h ILE 65 N 0.39 1.25 -0.20 1.81 1.08 -1.00 -1.08 117.51 119.76 1x93 h ILE 65 Ca 0.03 -0.94 -0.13 0.00 -0.39 0.00 0.00 64.86 63.43 1x93 h ILE 65 Cb 0.88 0.80 -0.01 0.00 -3.07 0.00 0.00 36.82 35.42 1x93 h ILE 65 CO 0.07 0.34 -0.43 -0.07 -0.69 0.00 0.00 178.15 177.38 1x93 h LEU 66 N 0.80 0.53 -0.24 1.44 3.38 -0.75 -1.21 115.31 119.25 1x93 h LEU 66 Ca 0.17 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1x93 h LEU 66 Cb 0.39 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1x93 h LEU 66 CO 0.01 0.89 0.16 0.50 0.09 0.00 0.00 178.44 180.09 1x93 h LYS 67 N 0.40 0.33 -0.26 1.13 3.64 -0.84 -2.92 116.57 118.05 1x93 h LYS 67 Ca 0.03 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 1x93 h LYS 67 Cb 0.92 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.66 1x93 h LYS 67 CO 0.08 0.23 -0.08 0.00 -2.27 0.00 0.00 179.45 177.41 1x93 h ALA 68 N 1.08 1.38 0.00 5.00 0.00 -0.89 -3.14 119.26 122.69 1x93 h ALA 68 Ca 0.09 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1x93 h ALA 68 Cb -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1x93 h ALA 68 CO -0.02 0.43 0.00 -0.07 0.00 0.00 0.00 179.25 179.59 1x93 h LEU 69 N 0.39 0.00 -0.31 0.00 4.07 -1.03 -1.75 115.31 116.69 1x93 h LEU 69 Ca 0.08 0.00 0.05 0.00 0.08 0.00 0.00 57.88 58.09 1x93 h LEU 69 Cb 0.40 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.09 1x93 h LEU 69 CO 0.02 0.00 0.03 0.03 -1.08 0.00 0.00 178.44 177.44 1x93 h ARG 70 N 0.00 0.12 -2.11 1.13 3.08 -1.57 -3.37 114.38 111.65 1x93 h ARG 70 Ca 0.00 -0.01 -0.50 0.00 0.07 0.00 0.00 59.98 59.55 1x93 h ARG 70 Cb 0.30 -0.03 -0.34 0.00 0.08 0.00 0.00 29.97 29.98 1x93 h ARG 70 CO 0.00 0.08 -0.86 0.15 -1.07 0.00 0.00 179.97 178.27 1x93 s LYS 71 N -6.18 0.88 0.11 0.04 3.01 -0.97 -5.03 119.74 111.60 1x93 s LYS 71 Ca -0.13 -1.76 -0.27 0.00 -1.01 0.00 0.00 55.97 52.80 1x93 s LYS 71 Cb 0.12 -1.11 -0.08 0.00 -1.01 0.00 0.00 37.83 35.75 1x93 s LYS 71 CO 0.70 -1.35 1.64 0.82 0.51 0.00 0.00 175.35 177.67 1x93 h ILE 72 N 4.76 0.42 0.00 2.17 2.04 -1.51 -3.48 117.51 121.91 1x93 h ILE 72 Ca 0.20 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.06 1x93 h ILE 72 Cb 0.96 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1x93 h ILE 72 CO 0.28 0.00 0.00 -0.62 0.00 0.00 0.00 178.15 177.81