#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 1.83 0.24 -2.82 1.81 -1.26 -5.10 118.95 113.66 1x93 s ARG 32 Ca 0.00 -2.18 -0.31 0.00 -1.72 0.00 0.00 55.73 51.52 1x93 s ARG 32 Cb 0.00 -3.36 -0.11 0.00 -0.45 0.00 0.00 34.95 31.03 1x93 s ARG 32 CO 0.00 -1.04 1.61 0.00 -0.68 0.00 0.00 175.30 175.19 1x93 s ALA 33 N 0.45 3.80 -0.25 2.13 0.00 -1.26 -5.02 121.76 121.60 1x93 s ALA 33 Ca 0.13 1.51 -0.03 0.00 0.00 0.00 0.00 51.96 53.56 1x93 s ALA 33 Cb -0.22 -3.65 0.10 0.00 0.00 0.00 0.00 23.12 19.36 1x93 s ALA 33 CO -0.04 -0.89 0.18 0.08 0.00 0.00 0.00 175.76 175.09 1x93 s VAL 34 N 0.58 -0.21 -0.21 0.00 1.01 -1.26 -5.14 120.40 115.17 1x93 s VAL 34 Ca 0.68 -0.45 -0.08 0.00 0.00 0.00 0.00 61.98 62.12 1x93 s VAL 34 Cb -0.47 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 1x93 s VAL 34 CO 0.39 -0.47 0.09 -0.55 0.00 0.00 0.00 175.10 174.56 1x93 s SER 35 N 2.22 5.72 0.24 3.32 0.15 -1.26 -5.10 113.70 118.99 1x93 s SER 35 Ca 0.07 0.06 0.05 0.00 0.70 0.00 0.00 55.95 56.83 1x93 s SER 35 Cb -0.15 -2.00 -0.05 0.00 -1.71 0.00 0.00 66.02 62.10 1x93 s SER 35 CO -0.26 0.12 -0.04 -0.76 1.20 0.00 0.00 173.24 173.50 1x93 s LEU 36 N 0.71 2.35 -0.51 3.45 1.43 -1.26 -5.13 118.68 119.72 1x93 s LEU 36 Ca 0.05 -1.18 0.04 0.00 -1.03 0.00 0.00 54.13 52.01 1x93 s LEU 36 Cb -0.13 -0.44 0.16 0.00 0.03 0.00 0.00 46.19 45.82 1x93 s LEU 36 CO 0.02 -0.41 0.37 -0.31 0.23 0.00 0.00 176.35 176.25 1x93 s TYR 37 N -3.24 2.03 0.82 0.29 2.02 -1.26 -5.12 117.35 112.90 1x93 s TYR 37 Ca 0.27 -2.65 -0.11 0.00 -0.37 0.00 0.00 57.07 54.21 1x93 s TYR 37 Cb 0.04 -1.65 0.11 0.00 -0.40 0.00 0.00 41.96 40.06 1x93 s TYR 37 CO 0.09 -0.73 1.16 -0.06 -1.57 0.00 0.00 175.55 174.44 1x93 s PHE 38 N -0.37 2.44 0.25 2.71 0.40 -1.26 -5.09 117.98 117.05 1x93 s PHE 38 Ca 0.27 0.45 -0.19 0.00 -0.60 0.00 0.00 56.93 56.87 1x93 s PHE 38 Cb -0.04 -3.55 -0.08 0.00 0.51 0.00 0.00 43.02 39.85 1x93 s PHE 38 CO -0.15 -1.92 0.73 0.45 0.70 0.00 0.00 175.22 175.03 1x93 s SER 39 N -4.67 6.99 0.53 1.36 0.15 -1.26 -4.98 113.70 111.83 1x93 s SER 39 Ca 0.65 1.39 0.22 0.00 0.70 0.00 0.00 55.95 58.91 1x93 s SER 39 Cb -0.08 -2.41 1.38 0.00 -1.71 0.00 0.00 66.02 63.20 1x93 s SER 39 CO 0.49 -0.03 2.08 -0.78 1.20 0.00 0.00 173.24 176.20 1x93 h ASP 40 N 3.12 0.00 0.54 5.45 3.58 -1.98 0.11 116.42 127.23 1x93 h ASP 40 Ca -0.48 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 56.95 1x93 h ASP 40 Cb 1.19 0.00 0.01 0.00 1.72 0.00 0.00 39.33 42.24 1x93 h ASP 40 CO 0.65 0.00 -0.26 -0.33 -2.88 0.00 0.00 179.24 176.42 1x93 h GLU 41 N 0.00 -0.70 -0.82 0.28 4.39 -1.99 -1.43 114.58 114.31 1x93 h GLU 41 Ca 0.12 0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.87 1x93 h GLU 41 Cb 0.49 0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 29.26 1x93 h GLU 41 CO -0.00 -0.40 0.51 1.96 -1.16 0.00 0.00 179.01 179.91 1x93 h GLN 42 N -0.90 1.09 0.28 2.33 1.08 -1.85 -1.60 115.11 115.54 1x93 h GLN 42 Ca -0.07 -0.09 -0.00 0.00 -1.45 0.00 0.00 58.65 57.04 1x93 h GLN 42 Cb 0.62 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 27.80 1x93 h GLN 42 CO 0.12 0.75 -0.23 -0.92 -0.95 0.00 0.00 178.83 177.61 1x93 h TYR 43 N 1.12 -0.60 -0.48 2.96 3.20 -0.80 -2.47 116.97 119.89 1x93 h TYR 43 Ca 0.30 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.13 1x93 h TYR 43 Cb -0.07 0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 1x93 h TYR 43 CO 0.00 -0.34 0.15 1.96 -1.64 0.00 0.00 178.16 178.29 1x93 h GLN 44 N -0.52 0.70 -0.75 1.82 7.50 -0.95 0.90 115.11 123.81 1x93 h GLN 44 Ca -0.02 -0.12 -0.00 0.00 0.50 0.00 0.00 58.65 59.01 1x93 h GLN 44 Cb 0.46 -0.12 -0.04 0.00 0.05 0.00 0.00 27.48 27.84 1x93 h GLN 44 CO -0.02 0.61 0.46 -0.22 -1.50 0.00 0.00 178.83 178.16 1x93 h LYS 45 N 0.69 1.01 -0.06 1.46 3.64 -1.24 0.07 116.57 122.14 1x93 h LYS 45 Ca 0.16 -0.09 -0.08 0.00 -1.27 0.00 0.00 60.65 59.37 1x93 h LYS 45 Cb 0.20 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1x93 h LYS 45 CO -0.01 0.71 -0.33 -0.07 -2.27 0.00 0.00 179.45 177.49 1x93 h LEU 46 N 1.02 0.11 -0.67 5.20 3.38 -0.85 -2.16 115.31 121.34 1x93 h LEU 46 Ca 0.27 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 58.12 1x93 h LEU 46 Cb -0.04 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1x93 h LEU 46 CO -0.05 0.44 0.09 -0.08 0.09 0.00 0.00 178.44 178.93 1x93 h GLU 47 N 0.10 1.12 -0.40 1.13 4.81 -0.27 -0.26 114.58 120.82 1x93 h GLU 47 Ca 0.01 -0.31 -0.06 0.00 -0.13 0.00 0.00 59.36 58.87 1x93 h GLU 47 Cb 0.63 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 1x93 h GLU 47 CO 0.05 1.03 -0.00 0.87 -0.73 0.00 0.00 179.01 180.22 1x93 h LYS 48 N 1.04 0.63 -0.07 1.92 1.57 -0.68 -0.19 116.57 120.80 1x93 h LYS 48 Ca 0.20 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1x93 h LYS 48 Cb 0.47 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 1x93 h LYS 48 CO 0.02 0.66 0.01 0.52 -0.57 0.00 0.00 179.45 180.08 1x93 h MET 49 N 0.60 0.12 -0.17 3.15 2.86 -1.31 -3.29 114.93 116.87 1x93 h MET 49 Ca 0.12 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.70 1x93 h MET 49 Cb 0.38 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 1x93 h MET 49 CO 0.01 0.37 -0.04 0.00 1.06 0.00 0.00 176.91 178.31 1x93 h ALA 50 N 0.75 1.62 0.00 6.32 0.00 -0.56 -2.08 119.26 125.31 1x93 h ALA 50 Ca 0.02 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1x93 h ALA 50 Cb 0.31 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1x93 h ALA 50 CO 0.00 0.28 -0.01 -0.97 0.00 0.00 0.00 179.25 178.56 1x93 h ASN 51 N 0.25 0.00 0.86 0.00 -0.00 -1.12 0.94 115.58 116.52 1x93 h ASN 51 Ca 0.06 0.00 -0.07 0.00 -0.00 0.00 0.00 56.30 56.29 1x93 h ASN 51 Cb 0.24 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.55 1x93 h ASN 51 CO 0.01 0.01 -0.33 -0.08 -0.00 0.00 0.00 177.43 177.03 1x93 h GLU 52 N 0.00 0.00 -0.19 6.67 4.57 -1.50 -2.71 114.58 121.42 1x93 h GLU 52 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1x93 h GLU 52 Cb 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 1x93 h GLU 52 CO 0.00 0.33 0.00 -1.91 -1.18 0.00 0.00 179.01 176.25 1x93 n GLU 53 N -3.50 2.23 -2.44 1.92 4.07 -0.36 -4.98 120.64 117.57 1x93 n GLU 53 Ca -0.00 -1.83 -0.06 0.00 -0.06 0.00 0.00 57.16 55.21 1x93 n GLU 53 Cb 0.49 -1.47 0.03 0.00 -0.06 0.00 0.00 31.44 30.42 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 1.11 -2.08 -2.55 5.31 2.13 -0.35 -4.77 120.64 119.44 1x93 n GLU 54 Ca 0.17 0.32 -0.05 0.00 0.66 0.00 0.00 57.16 58.26 1x93 n GLU 54 Cb 0.53 -3.61 -0.04 0.00 0.27 0.00 0.00 31.44 28.60 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 -2.17 -4.79 -1.11 5.31 4.71 0.18 -4.94 120.64 117.84 1x93 n GLU 55 Ca -0.09 3.56 0.01 0.00 -0.01 0.00 0.00 57.16 60.63 1x93 n GLU 55 Cb 0.56 -5.03 -0.00 0.00 -1.01 0.00 0.00 31.44 25.95 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 1.76 0.29 -4.61 1.62 3.41 -1.26 -5.01 113.62 109.83 1x93 n SER 56 Ca -0.35 -1.91 -0.46 0.00 -0.26 0.00 0.00 58.87 55.88 1x93 n SER 56 Cb 0.54 -0.13 -0.04 0.00 -0.26 0.00 0.00 64.21 64.31 1x93 n SER 56 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1x93 n VAL 57 N 0.25 0.46 0.00 -3.33 0.31 -1.26 -1.00 118.33 113.76 1x93 n VAL 57 Ca -0.03 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 1x93 n VAL 57 Cb 0.91 -2.10 0.00 0.00 -0.91 0.00 0.00 33.84 31.74 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 5.27 3.24 0.31 2.92 0.00 -1.26 -4.81 105.19 110.86 1x93 n GLY 58 Ca 0.28 -0.90 -0.07 0.00 0.00 0.00 0.00 46.02 45.33 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 0.98 -0.73 1.61 0.02 -1.51 -1.63 113.55 112.30 1x93 h SER 59 Ca 0.00 -0.24 -0.05 0.00 -0.84 0.00 0.00 61.79 60.67 1x93 h SER 59 Cb 0.00 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.25 1x93 h SER 59 CO 0.00 0.99 0.28 0.22 -1.14 0.00 0.00 176.83 177.19 1x93 h TYR 60 N 0.95 1.13 0.38 3.45 5.03 -1.53 0.37 116.97 126.76 1x93 h TYR 60 Ca 0.19 -0.09 -0.00 0.00 2.58 0.00 0.00 58.73 61.41 1x93 h TYR 60 Cb 0.45 -0.34 -0.03 0.00 1.55 0.00 0.00 36.73 38.37 1x93 h TYR 60 CO 0.03 0.87 -0.43 0.82 -1.32 0.00 0.00 178.16 178.13 1x93 h ILE 61 N 1.08 0.15 -0.07 1.81 2.04 -1.80 -1.71 117.51 119.01 1x93 h ILE 61 Ca 0.25 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.13 1x93 h ILE 61 Cb 0.23 0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.42 1x93 h ILE 61 CO -0.02 0.00 -0.08 0.50 0.00 0.00 0.00 178.15 178.55 1x93 h LYS 62 N -0.84 -0.11 -0.86 2.37 3.64 -1.03 -1.61 116.57 118.14 1x93 h LYS 62 Ca -0.03 0.01 0.22 0.00 -1.27 0.00 0.00 60.65 59.58 1x93 h LYS 62 Cb 0.76 0.02 -0.15 0.00 -0.41 0.00 0.00 32.23 32.46 1x93 h LYS 62 CO -0.09 -0.07 0.12 -0.09 -2.27 0.00 0.00 179.45 177.05 1x93 h ARG 63 N -0.11 0.13 -0.34 1.90 2.43 -0.87 0.13 114.38 117.66 1x93 h ARG 63 Ca 0.06 -0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 59.06 1x93 h ARG 63 Cb 0.19 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1x93 h ARG 63 CO -0.14 0.09 -0.40 -0.92 -1.51 0.00 0.00 179.97 177.09 1x93 h TYR 64 N 0.14 1.06 -0.42 2.20 5.03 -0.37 0.14 116.97 124.75 1x93 h TYR 64 Ca 0.51 -0.33 -0.02 0.00 2.58 0.00 0.00 58.73 61.47 1x93 h TYR 64 Cb 1.01 -0.22 -0.02 0.00 1.55 0.00 0.00 36.73 39.05 1x93 h TYR 64 CO -0.36 1.15 0.18 0.82 -1.32 0.00 0.00 178.16 178.63 1x93 h ILE 65 N 0.67 1.19 -0.22 1.81 1.08 -0.70 -1.45 117.51 119.90 1x93 h ILE 65 Ca 0.05 -0.57 -0.12 0.00 -0.39 0.00 0.00 64.86 63.82 1x93 h ILE 65 Cb 1.00 0.79 -0.01 0.00 -3.07 0.00 0.00 36.82 35.53 1x93 h ILE 65 CO 0.10 0.21 -0.39 -0.07 -0.69 0.00 0.00 178.15 177.31 1x93 h LEU 66 N 0.53 0.51 0.05 1.44 4.07 -0.60 -0.35 115.31 120.96 1x93 h LEU 66 Ca 0.14 -0.22 -0.00 0.00 0.08 0.00 0.00 57.88 57.88 1x93 h LEU 66 Cb 0.16 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 41.76 1x93 h LEU 66 CO -0.01 0.85 -0.02 0.50 -1.08 0.00 0.00 178.44 178.67 1x93 h LYS 67 N 0.41 -0.06 0.00 1.13 3.64 -0.68 -3.13 116.57 117.88 1x93 h LYS 67 Ca 0.04 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.39 1x93 h LYS 67 Cb 0.86 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.69 1x93 h LYS 67 CO 0.07 0.16 -0.17 0.00 -2.27 0.00 0.00 179.45 177.24 1x93 h ALA 68 N 0.67 1.22 0.00 5.00 0.00 -0.99 -2.84 119.26 122.33 1x93 h ALA 68 Ca -0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1x93 h ALA 68 Cb 0.24 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1x93 h ALA 68 CO 0.01 0.21 -0.11 1.25 0.00 0.00 0.00 179.25 180.61 1x93 h LEU 69 N 0.00 0.00 -0.68 0.00 5.85 -1.00 -2.57 115.31 116.90 1x93 h LEU 69 Ca -0.00 0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.81 1x93 h LEU 69 Cb 0.46 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.42 1x93 h LEU 69 CO 0.02 0.11 0.32 0.03 -0.34 0.00 0.00 178.44 178.58 1x93 h ARG 70 N 0.00 0.54 -2.29 1.25 3.08 -1.55 -3.31 114.38 112.09 1x93 h ARG 70 Ca -0.00 -0.03 -0.56 0.00 0.07 0.00 0.00 59.98 59.45 1x93 h ARG 70 Cb 0.31 -0.12 -0.37 0.00 0.08 0.00 0.00 29.97 29.87 1x93 h ARG 70 CO 0.01 0.36 -0.94 0.15 -1.07 0.00 0.00 179.97 178.48 1x93 s LYS 71 N -6.07 0.89 0.17 0.04 3.01 -1.19 -5.01 119.74 111.58 1x93 s LYS 71 Ca -0.13 -2.00 -0.18 0.00 -1.01 0.00 0.00 55.97 52.65 1x93 s LYS 71 Cb 0.18 -1.32 0.10 0.00 -1.01 0.00 0.00 37.83 35.77 1x93 s LYS 71 CO 0.76 -1.38 1.65 0.82 0.51 0.00 0.00 175.35 177.71 1x93 h ILE 72 N 4.68 0.50 0.00 2.17 2.04 -1.55 -3.48 117.51 121.86 1x93 h ILE 72 Ca 0.24 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.10 1x93 h ILE 72 Cb 0.93 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 1x93 h ILE 72 CO 0.34 0.00 0.00 -1.84 0.00 0.00 0.00 178.15 176.65