#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 1.85 0.18 -2.82 1.81 -1.26 -5.10 118.95 113.61 1x93 s ARG 32 Ca 0.00 -2.23 -0.32 0.00 -1.72 0.00 0.00 55.73 51.46 1x93 s ARG 32 Cb 0.00 -3.35 -0.11 0.00 -0.45 0.00 0.00 34.95 31.04 1x93 s ARG 32 CO 0.00 -1.05 1.74 0.00 -0.68 0.00 0.00 175.30 175.31 1x93 s ALA 33 N 0.36 3.88 -0.13 2.13 0.00 -1.26 -5.02 121.76 121.72 1x93 s ALA 33 Ca 0.14 1.53 -0.04 0.00 0.00 0.00 0.00 51.96 53.58 1x93 s ALA 33 Cb -0.22 -3.71 0.07 0.00 0.00 0.00 0.00 23.12 19.26 1x93 s ALA 33 CO -0.04 -0.99 0.24 0.08 0.00 0.00 0.00 175.76 175.04 1x93 s VAL 34 N 1.61 -0.37 -0.10 0.00 1.01 -1.26 -5.15 120.40 116.13 1x93 s VAL 34 Ca 0.76 0.24 0.03 0.00 0.00 0.00 0.00 61.98 63.01 1x93 s VAL 34 Cb -0.48 -0.45 0.01 0.00 0.00 0.00 0.00 36.38 35.46 1x93 s VAL 34 CO 0.33 0.08 -0.19 -0.55 0.00 0.00 0.00 175.10 174.77 1x93 s SER 35 N 2.38 2.59 0.26 3.32 0.15 -1.26 -5.14 113.70 116.00 1x93 s SER 35 Ca 0.03 -0.46 0.03 0.00 0.70 0.00 0.00 55.95 56.25 1x93 s SER 35 Cb -0.13 -1.19 -0.05 0.00 -1.71 0.00 0.00 66.02 62.94 1x93 s SER 35 CO -0.08 0.09 0.02 -0.76 1.20 0.00 0.00 173.24 173.70 1x93 s LEU 36 N 0.60 2.14 -0.66 3.45 2.01 -1.26 -5.13 118.68 119.84 1x93 s LEU 36 Ca -0.14 -1.27 0.03 0.00 0.01 0.00 0.00 54.13 52.76 1x93 s LEU 36 Cb -0.17 -0.28 0.16 0.00 0.01 0.00 0.00 46.19 45.91 1x93 s LEU 36 CO 0.04 -0.55 0.44 -0.31 1.01 0.00 0.00 176.35 176.99 1x93 s TYR 37 N -3.41 3.46 1.00 0.29 2.02 -1.26 -5.09 117.35 114.36 1x93 s TYR 37 Ca 0.31 -3.21 -0.17 0.00 -0.37 0.00 0.00 57.07 53.63 1x93 s TYR 37 Cb 0.06 -2.84 0.23 0.00 -0.40 0.00 0.00 41.96 39.02 1x93 s TYR 37 CO 0.11 -0.65 1.22 1.19 -1.57 0.00 0.00 175.55 175.85 1x93 n PHE 38 N 2.50 -3.97 -4.26 2.71 3.01 -1.26 -5.14 117.46 111.06 1x93 n PHE 38 Ca 0.14 -1.09 -0.14 0.00 1.01 0.00 0.00 57.45 57.37 1x93 n PHE 38 Cb 0.34 -1.01 -0.10 0.00 -0.01 0.00 0.00 39.48 38.70 1x93 n PHE 38 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1x93 s SER 39 N -5.35 1.17 0.18 4.37 0.15 -1.26 -5.03 113.70 107.92 1x93 s SER 39 Ca 0.71 -1.24 -0.18 0.00 0.70 0.00 0.00 55.95 55.94 1x93 s SER 39 Cb -0.03 0.14 0.12 0.00 -1.71 0.00 0.00 66.02 64.54 1x93 s SER 39 CO 0.51 -0.62 1.63 0.44 1.20 0.00 0.00 173.24 176.40 1x93 h ASP 40 N 2.61 -0.66 0.01 5.45 3.32 -2.00 -0.82 116.42 124.32 1x93 h ASP 40 Ca -0.37 0.16 0.02 0.00 0.02 0.00 0.00 57.03 56.86 1x93 h ASP 40 Cb 1.22 0.37 -0.03 0.00 0.22 0.00 0.00 39.33 41.10 1x93 h ASP 40 CO 0.62 -0.22 -0.16 -0.33 -1.72 0.00 0.00 179.24 177.42 1x93 h GLU 41 N -0.10 -0.26 -0.89 3.56 4.39 -1.98 0.11 114.58 119.41 1x93 h GLU 41 Ca 0.21 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.92 1x93 h GLU 41 Cb 0.43 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.10 1x93 h GLU 41 CO -0.51 -0.17 0.51 1.96 -1.16 0.00 0.00 179.01 179.64 1x93 h GLN 42 N -0.27 1.22 0.01 2.33 7.50 -1.82 -1.29 115.11 122.79 1x93 h GLN 42 Ca 0.05 -0.13 -0.00 0.00 0.50 0.00 0.00 58.65 59.07 1x93 h GLN 42 Cb 0.34 -0.25 0.00 0.00 0.05 0.00 0.00 27.48 27.62 1x93 h GLN 42 CO -0.15 0.88 -0.00 -0.92 -1.50 0.00 0.00 178.83 177.13 1x93 h TYR 43 N 1.23 -0.01 -0.67 2.96 5.03 -0.91 -3.02 116.97 121.59 1x93 h TYR 43 Ca 0.32 -0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.59 1x93 h TYR 43 Cb -0.01 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 38.24 1x93 h TYR 43 CO 0.00 0.45 0.29 1.96 -1.32 0.00 0.00 178.16 179.55 1x93 h GLN 44 N -0.47 0.96 -0.49 1.82 7.50 -0.65 0.59 115.11 124.37 1x93 h GLN 44 Ca -0.00 -0.15 -0.11 0.00 0.50 0.00 0.00 58.65 58.89 1x93 h GLN 44 Cb 0.47 -0.17 -0.02 0.00 0.05 0.00 0.00 27.48 27.81 1x93 h GLN 44 CO 0.00 0.77 -0.14 0.87 -1.50 0.00 0.00 178.83 178.83 1x93 h LYS 45 N 0.95 0.94 0.00 1.46 1.57 -1.33 0.77 116.57 120.93 1x93 h LYS 45 Ca 0.23 -0.35 -0.11 0.00 -1.87 0.00 0.00 60.65 58.55 1x93 h LYS 45 Cb 0.15 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1x93 h LYS 45 CO -0.02 1.01 -0.50 -0.07 -0.57 0.00 0.00 179.45 179.29 1x93 h LEU 46 N 0.83 0.00 -0.33 2.94 3.38 -1.26 -1.35 115.31 119.52 1x93 h LEU 46 Ca 0.13 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 1x93 h LEU 46 Cb 0.68 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1x93 h LEU 46 CO 0.05 0.50 -0.01 -0.08 0.09 0.00 0.00 178.44 178.99 1x93 h GLU 47 N 0.00 0.59 -0.36 1.13 4.81 -0.77 -1.50 114.58 118.49 1x93 h GLU 47 Ca -0.01 -0.19 -0.05 0.00 -0.13 0.00 0.00 59.36 58.99 1x93 h GLU 47 Cb 0.94 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.26 1x93 h GLU 47 CO 0.07 0.72 0.02 0.87 -0.73 0.00 0.00 179.01 179.96 1x93 h LYS 48 N 0.39 0.55 -0.41 1.92 1.79 -0.61 -2.25 116.57 117.95 1x93 h LYS 48 Ca 0.09 -0.11 -0.13 0.00 -2.18 0.00 0.00 60.65 58.32 1x93 h LYS 48 Cb 0.46 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.02 1x93 h LYS 48 CO 0.02 0.56 -0.25 0.52 -1.08 0.00 0.00 179.45 179.22 1x93 h MET 49 N 0.53 0.85 0.00 3.15 2.86 -1.24 -3.26 114.93 117.82 1x93 h MET 49 Ca 0.12 -0.37 -0.00 0.00 -2.06 0.00 0.00 59.70 57.39 1x93 h MET 49 Cb 0.31 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.94 1x93 h MET 49 CO 0.01 1.00 -0.01 0.00 1.06 0.00 0.00 176.91 178.97 1x93 h ALA 50 N 0.98 1.05 -0.05 6.32 0.00 -0.64 -0.62 119.26 126.30 1x93 h ALA 50 Ca 0.09 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1x93 h ALA 50 Cb 0.80 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1x93 h ALA 50 CO 0.07 0.01 0.10 -0.97 0.00 0.00 0.00 179.25 178.45 1x93 h ASN 51 N 0.00 0.00 0.08 0.00 -0.73 -1.58 0.14 115.58 113.49 1x93 h ASN 51 Ca -0.00 0.00 -0.08 0.00 1.87 0.00 0.00 56.30 58.09 1x93 h ASN 51 Cb 0.13 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.71 1x93 h ASN 51 CO 0.00 0.00 -0.26 -0.08 -0.37 0.00 0.00 177.43 176.72 1x93 h GLU 52 N 0.00 0.30 -0.30 6.67 4.22 -1.34 -2.58 114.58 121.56 1x93 h GLU 52 Ca 0.02 -0.10 0.00 0.00 0.08 0.00 0.00 59.36 59.36 1x93 h GLU 52 Cb 0.22 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1x93 h GLU 52 CO -0.00 0.54 0.00 0.39 -2.18 0.00 0.00 179.01 177.76 1x93 n GLU 53 N -4.14 2.15 -3.09 1.92 1.02 -0.35 -4.97 120.64 113.17 1x93 n GLU 53 Ca -0.01 -1.74 -0.13 0.00 -0.02 0.00 0.00 57.16 55.26 1x93 n GLU 53 Cb 0.38 -1.45 0.06 0.00 -0.02 0.00 0.00 31.44 30.41 1x93 n GLU 53 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1x93 n GLU 54 N 0.95 -4.98 -2.62 3.49 2.13 -0.35 -4.53 120.64 114.73 1x93 n GLU 54 Ca 0.18 0.60 -0.05 0.00 0.66 0.00 0.00 57.16 58.55 1x93 n GLU 54 Cb 0.47 -4.89 -0.04 0.00 0.27 0.00 0.00 31.44 27.25 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 -3.36 -4.46 -2.59 5.31 4.71 0.34 -4.94 120.64 115.66 1x93 n GLU 55 Ca -0.14 3.38 -0.01 0.00 -0.01 0.00 0.00 57.16 60.38 1x93 n GLU 55 Cb 0.60 -5.16 0.05 0.00 -1.01 0.00 0.00 31.44 25.91 1x93 n GLU 55 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1x93 n SER 56 N 1.54 1.67 -4.60 1.62 7.64 -1.26 -5.02 113.62 115.21 1x93 n SER 56 Ca -0.36 -2.13 -0.45 0.00 1.01 0.00 0.00 58.87 56.95 1x93 n SER 56 Cb 0.55 -0.45 -0.04 0.00 -1.01 0.00 0.00 64.21 63.27 1x93 n SER 56 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1x93 n VAL 57 N -0.45 0.45 0.00 0.44 0.31 -1.26 -1.73 118.33 116.09 1x93 n VAL 57 Ca 0.09 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 1x93 n VAL 57 Cb 0.86 -2.25 0.00 0.00 -0.91 0.00 0.00 33.84 31.54 1x93 n VAL 57 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1x93 n GLY 58 N 5.41 3.06 0.30 2.92 0.00 -1.26 -4.85 105.19 110.78 1x93 n GLY 58 Ca 0.28 -0.80 -0.06 0.00 0.00 0.00 0.00 46.02 45.45 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 0.89 -0.60 1.61 0.02 -1.77 -1.41 113.55 112.28 1x93 h SER 59 Ca 0.00 -0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 60.70 1x93 h SER 59 Cb 0.00 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.28 1x93 h SER 59 CO 0.00 0.92 0.23 0.22 -1.14 0.00 0.00 176.83 177.05 1x93 h TYR 60 N 0.87 0.93 -0.34 3.45 5.03 -1.70 0.05 116.97 125.25 1x93 h TYR 60 Ca 0.17 -0.08 0.04 0.00 2.58 0.00 0.00 58.73 61.44 1x93 h TYR 60 Cb 0.43 -0.28 -0.04 0.00 1.55 0.00 0.00 36.73 38.40 1x93 h TYR 60 CO 0.03 0.75 0.13 0.82 -1.32 0.00 0.00 178.16 178.57 1x93 h ILE 61 N 0.84 0.92 0.25 1.81 2.04 -1.75 0.10 117.51 121.73 1x93 h ILE 61 Ca 0.20 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.95 1x93 h ILE 61 Cb 0.22 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1x93 h ILE 61 CO -0.01 0.05 -0.12 0.50 0.00 0.00 0.00 178.15 178.57 1x93 h LYS 62 N 0.29 -0.33 -0.05 2.37 3.64 -1.16 -3.09 116.57 118.24 1x93 h LYS 62 Ca 0.15 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.57 1x93 h LYS 62 Cb 0.11 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1x93 h LYS 62 CO -0.14 -0.22 0.05 -0.09 -2.27 0.00 0.00 179.45 176.77 1x93 h ARG 63 N -0.34 0.00 -0.19 1.90 2.43 -0.33 -2.46 114.38 115.39 1x93 h ARG 63 Ca -0.03 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.06 1x93 h ARG 63 Cb 0.26 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 1x93 h ARG 63 CO 0.06 0.00 -0.21 -0.92 -1.51 0.00 0.00 179.97 177.39 1x93 h TYR 64 N 0.00 0.36 -0.44 2.20 3.20 -0.73 0.23 116.97 121.78 1x93 h TYR 64 Ca 0.03 -0.06 -0.10 0.00 3.14 0.00 0.00 58.73 61.74 1x93 h TYR 64 Cb 0.12 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 1x93 h TYR 64 CO 0.00 0.53 -0.11 0.82 -1.64 0.00 0.00 178.16 177.76 1x93 h ILE 65 N 0.30 1.27 -0.17 1.81 1.08 -1.52 -2.67 117.51 117.62 1x93 h ILE 65 Ca 0.05 -1.22 -0.13 0.00 -0.39 0.00 0.00 64.86 63.16 1x93 h ILE 65 Cb 0.55 1.15 -0.01 0.00 -3.07 0.00 0.00 36.82 35.44 1x93 h ILE 65 CO 0.04 0.42 -0.46 -0.07 -0.69 0.00 0.00 178.15 177.38 1x93 h LEU 66 N 0.69 0.46 -1.42 1.44 3.38 -1.14 -0.03 115.31 118.69 1x93 h LEU 66 Ca 0.11 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1x93 h LEU 66 Cb 0.65 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1x93 h LEU 66 CO 0.04 0.86 0.11 0.50 0.09 0.00 0.00 178.44 180.05 1x93 h LYS 67 N 0.35 0.50 0.08 1.13 3.64 -0.63 -2.73 116.57 118.91 1x93 h LYS 67 Ca 0.02 -0.07 -0.25 0.00 -1.27 0.00 0.00 60.65 59.08 1x93 h LYS 67 Cb 0.95 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.66 1x93 h LYS 67 CO 0.08 0.44 -1.19 0.00 -2.27 0.00 0.00 179.45 176.51 1x93 h ALA 68 N 1.63 0.22 0.00 5.00 0.00 -1.07 -3.39 119.26 121.65 1x93 h ALA 68 Ca 0.12 -0.93 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1x93 h ALA 68 Cb 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1x93 h ALA 68 CO -0.01 1.10 0.00 -0.07 0.00 0.00 0.00 179.25 180.27 1x93 h LEU 69 N 0.05 0.00 -2.22 0.00 3.38 -0.69 -2.16 115.31 113.67 1x93 h LEU 69 Ca -0.10 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.89 1x93 h LEU 69 Cb 1.91 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.65 1x93 h LEU 69 CO 0.17 0.00 0.26 0.08 0.09 0.00 0.00 178.44 179.05 1x93 h ARG 70 N 0.00 0.00 -0.02 1.13 0.11 -1.76 0.05 114.38 113.89 1x93 h ARG 70 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1x93 h ARG 70 Cb 0.35 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.43 1x93 h ARG 70 CO 0.00 0.00 -0.23 1.63 0.10 0.00 0.00 179.97 181.47 1x93 n LYS 71 N -3.20 1.62 -0.01 0.08 5.02 -0.81 -4.54 118.16 116.33 1x93 n LYS 71 Ca -0.00 -1.28 0.01 0.00 -2.02 0.00 0.00 58.31 55.01 1x93 n LYS 71 Cb 0.35 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.85 1x93 n LYS 71 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1x93 n ILE 72 N 0.43 0.07 0.00 -0.18 2.08 -0.11 -5.21 119.36 116.44 1x93 n ILE 72 Ca 0.12 -0.11 0.00 0.00 0.56 0.00 0.00 62.75 63.33 1x93 n ILE 72 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.38 1x93 n ILE 72 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32