#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bdt s LYS 2 N 0.00 4.36 0.00 2.12 2.20 -1.26 -2.80 119.74 124.36 1bdt s LYS 2 Ca 0.00 2.06 0.00 0.00 -0.36 0.00 0.00 55.97 57.67 1bdt s LYS 2 Cb 0.00 -3.21 0.00 0.00 -1.51 0.00 0.00 37.83 33.11 1bdt s LYS 2 CO 0.00 -0.33 0.00 0.41 -0.36 0.00 0.00 175.35 175.07 1bdt n GLY 3 N 2.80 0.49 0.37 5.54 0.00 -1.26 -4.91 105.19 108.22 1bdt n GLY 3 Ca 0.08 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.20 1bdt n GLY 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bdt h MET 4 N 1.11 0.70 -0.12 1.61 -0.00 -1.94 -0.52 114.93 115.78 1bdt h MET 4 Ca 0.00 -0.04 0.04 0.00 -0.00 0.00 0.00 59.70 59.69 1bdt h MET 4 Cb 0.11 -0.16 -0.00 0.00 -0.00 0.00 0.00 31.60 31.55 1bdt h MET 4 CO 0.00 0.47 0.21 0.66 -0.00 0.00 0.00 176.91 178.25 1bdt h SER 5 N 0.72 0.00 -0.01 -0.10 4.64 -1.91 -1.52 113.55 115.38 1bdt h SER 5 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1bdt h SER 5 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1bdt h SER 5 CO -0.17 0.00 -0.46 0.29 -0.87 0.00 0.00 176.83 175.62 1bdt n LYS 6 N -3.45 1.63 -1.33 4.77 4.76 -0.22 -5.00 118.16 119.32 1bdt n LYS 6 Ca 0.00 -0.62 -0.30 0.00 -2.87 0.00 0.00 58.31 54.52 1bdt n LYS 6 Cb 0.31 -1.29 0.10 0.00 -1.84 0.00 0.00 35.03 32.31 1bdt n LYS 6 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 1bdt s MET 7 N -2.12 1.92 0.33 1.97 -1.94 -0.57 -4.96 119.30 113.93 1bdt s MET 7 Ca 0.12 0.90 -0.29 0.00 -1.71 0.00 0.00 55.69 54.71 1bdt s MET 7 Cb 0.13 -1.88 -0.10 0.00 2.01 0.00 0.00 34.83 34.99 1bdt s MET 7 CO 0.49 -1.81 1.38 -2.14 -0.01 0.00 0.00 175.02 172.93 1bdt s PRO 8 N -4.98 4.27 0.64 2.03 0.02 -1.26 -5.02 135.00 130.70 1bdt s PRO 8 Ca 0.62 2.33 0.06 0.00 0.02 0.00 0.00 61.00 64.03 1bdt s PRO 8 Cb -0.17 -3.05 0.11 0.00 0.02 0.00 0.00 34.50 31.42 1bdt s PRO 8 CO 0.56 -0.32 0.88 -0.65 -0.33 0.00 0.00 177.00 177.14 1bdt s GLN 9 N -1.64 2.02 -0.30 5.54 -0.21 -1.26 -5.12 119.66 118.69 1bdt s GLN 9 Ca 0.52 -1.48 -0.18 0.00 0.02 0.00 0.00 55.36 54.24 1bdt s GLN 9 Cb -0.42 -2.52 0.20 0.00 1.00 0.00 0.00 33.01 31.27 1bdt s GLN 9 CO 0.54 -1.13 1.28 0.12 -2.12 0.00 0.00 175.29 173.99 1bdt s PHE 10 N -2.87 -0.08 -0.17 0.91 5.36 -1.26 -5.15 117.98 114.72 1bdt s PHE 10 Ca 0.64 0.14 -0.16 0.00 -0.96 0.00 0.00 56.93 56.59 1bdt s PHE 10 Cb -0.05 0.05 -0.04 0.00 -0.34 0.00 0.00 43.02 42.63 1bdt s PHE 10 CO 0.41 -0.04 0.40 -0.80 -1.46 0.00 0.00 175.22 173.73 1bdt s ASN 11 N 1.72 6.50 0.31 6.13 0.01 -1.26 -5.06 114.94 123.28 1bdt s ASN 11 Ca -0.02 0.59 -0.17 0.00 -0.71 0.00 0.00 52.86 52.56 1bdt s ASN 11 Cb -0.01 -2.24 -0.09 0.00 0.41 0.00 0.00 41.25 39.32 1bdt s ASN 11 CO -0.14 -0.02 0.75 -0.76 -1.51 0.00 0.00 177.10 175.42 1bdt s LEU 12 N 0.95 4.12 -0.46 0.60 1.02 -1.26 -5.03 118.68 118.63 1bdt s LEU 12 Ca 0.20 1.35 0.03 0.00 0.02 0.00 0.00 54.13 55.73 1bdt s LEU 12 Cb -0.14 -4.00 0.15 0.00 0.02 0.00 0.00 46.19 42.22 1bdt s LEU 12 CO 0.08 -0.16 0.31 -0.13 0.02 0.00 0.00 176.35 176.47 1bdt s ARG 13 N -2.75 1.25 0.30 1.70 0.52 -1.26 -5.10 118.95 113.61 1bdt s ARG 13 Ca 0.52 -2.16 0.11 0.00 -0.52 0.00 0.00 55.73 53.67 1bdt s ARG 13 Cb -0.12 -2.07 -0.05 0.00 0.52 0.00 0.00 34.95 33.23 1bdt s ARG 13 CO 0.18 -1.26 -0.11 -1.58 0.02 0.00 0.00 175.30 172.55 1bdt s TRP 14 N 0.06 2.43 0.36 -0.53 0.51 -1.26 -5.11 118.94 115.41 1bdt s TRP 14 Ca 0.24 -0.35 -0.28 0.00 -2.12 0.00 0.00 56.10 53.58 1bdt s TRP 14 Cb -0.12 -1.18 -0.11 0.00 -0.81 0.00 0.00 33.47 31.25 1bdt s TRP 14 CO -0.09 0.64 1.52 -2.14 -0.51 0.00 0.00 176.95 176.37 1bdt s PRO 15 N -3.59 4.10 0.30 4.98 0.02 -1.26 -4.82 135.00 134.72 1bdt s PRO 15 Ca 0.31 2.60 0.06 0.00 0.02 0.00 0.00 61.00 63.99 1bdt s PRO 15 Cb -0.03 -2.97 0.79 0.00 0.02 0.00 0.00 34.50 32.30 1bdt s PRO 15 CO 0.17 -0.58 1.69 0.00 -0.33 0.00 0.00 177.00 177.96 1bdt h ARG 16 N 3.40 0.39 -0.27 5.54 3.08 -1.99 -1.34 114.38 123.19 1bdt h ARG 16 Ca -0.50 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.52 1bdt h ARG 16 Cb 1.24 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.18 1bdt h ARG 16 CO 0.68 0.26 0.16 0.93 -1.07 0.00 0.00 179.97 180.93 1bdt h GLU 17 N 0.41 0.38 -0.77 0.04 5.08 -1.99 0.87 114.58 118.60 1bdt h GLU 17 Ca 0.59 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.91 1bdt h GLU 17 Cb 1.15 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.29 1bdt h GLU 17 CO -0.54 0.31 0.48 0.28 -1.00 0.00 0.00 179.01 178.54 1bdt h VAL 18 N 0.34 1.21 -0.38 3.13 2.07 -1.65 -0.67 116.25 120.30 1bdt h VAL 18 Ca 0.10 -0.44 -0.09 0.00 0.82 0.00 0.00 66.70 67.09 1bdt h VAL 18 Cb 0.04 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 29.91 1bdt h VAL 18 CO -0.02 0.22 -0.12 0.25 0.02 0.00 0.00 177.57 177.92 1bdt h LEU 19 N 1.05 0.66 -0.75 2.57 5.85 -0.91 -1.94 115.31 121.85 1bdt h LEU 19 Ca 0.28 -0.19 -0.13 0.00 0.84 0.00 0.00 57.88 58.68 1bdt h LEU 19 Cb -0.06 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 1bdt h LEU 19 CO -0.05 0.81 -0.43 0.44 -0.34 0.00 0.00 178.44 178.86 1bdt h ASP 20 N 0.62 0.46 0.01 1.25 3.32 -0.18 -0.89 116.42 121.00 1bdt h ASP 20 Ca 0.11 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 1bdt h ASP 20 Cb 0.56 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1bdt h ASP 20 CO 0.03 0.84 -0.01 0.25 -1.72 0.00 0.00 179.24 178.64 1bdt h LEU 21 N 0.35 -0.01 -0.64 1.55 6.46 -0.81 -1.68 115.31 120.54 1bdt h LEU 21 Ca 0.03 -0.35 0.07 0.00 -0.12 0.00 0.00 57.88 57.51 1bdt h LEU 21 Cb 0.91 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 40.78 1bdt h LEU 21 CO 0.08 0.35 0.32 0.58 -0.62 0.00 0.00 178.44 179.15 1bdt h VAL 22 N -0.37 0.91 -0.08 1.05 2.07 -1.25 0.24 116.25 118.81 1bdt h VAL 22 Ca -0.00 -0.20 0.03 0.00 0.82 0.00 0.00 66.70 67.35 1bdt h VAL 22 Cb 0.36 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 1bdt h VAL 22 CO 0.00 0.11 -0.12 0.03 0.02 0.00 0.00 177.57 177.61 1bdt h ARG 23 N 0.59 -0.15 -0.27 1.57 3.08 -1.04 0.71 114.38 118.86 1bdt h ARG 23 Ca 0.30 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.37 1bdt h ARG 23 Cb 0.25 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 1bdt h ARG 23 CO -0.22 -0.10 0.15 -0.22 -1.07 0.00 0.00 179.97 178.51 1bdt h LYS 24 N -0.16 0.30 -0.61 0.04 3.64 -0.39 0.47 116.57 119.86 1bdt h LYS 24 Ca 0.07 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1bdt h LYS 24 Cb 0.26 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 1bdt h LYS 24 CO -0.18 0.20 0.31 0.28 -2.27 0.00 0.00 179.45 177.79 1bdt h VAL 25 N 0.30 1.21 -0.64 2.00 2.07 -0.07 0.06 116.25 121.18 1bdt h VAL 25 Ca 0.11 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1bdt h VAL 25 Cb 0.02 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 1bdt h VAL 25 CO -0.06 0.23 0.41 0.00 0.02 0.00 0.00 177.57 178.17 1bdt h ALA 26 N 1.14 0.81 -0.37 1.67 0.00 0.84 -0.93 119.26 122.42 1bdt h ALA 26 Ca 0.21 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1bdt h ALA 26 Cb 0.08 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1bdt h ALA 26 CO -0.03 0.26 0.20 0.93 0.00 0.00 0.00 179.25 180.61 1bdt h GLU 27 N 0.86 0.51 -0.80 0.00 4.39 -0.31 0.23 114.58 119.47 1bdt h GLU 27 Ca 0.23 -0.06 0.06 0.00 0.34 0.00 0.00 59.36 59.94 1bdt h GLU 27 Cb -0.08 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 28.42 1bdt h GLU 27 CO -0.05 0.42 0.52 0.93 -1.16 0.00 0.00 179.01 179.67 1bdt h GLU 28 N 0.47 0.85 -0.39 2.33 5.08 -0.21 0.57 114.58 123.28 1bdt h GLU 28 Ca 0.13 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1bdt h GLU 28 Cb 0.05 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.11 1bdt h GLU 28 CO -0.02 0.56 0.00 0.09 -1.00 0.00 0.00 179.01 178.64 1bdt n ASN 29 N -4.48 2.05 -3.72 1.42 5.03 -0.43 -4.93 115.26 110.20 1bdt n ASN 29 Ca 0.12 -2.01 -0.28 0.00 0.87 0.00 0.00 54.58 53.28 1bdt n ASN 29 Cb 0.21 -0.26 0.03 0.00 -1.02 0.00 0.00 39.78 38.74 1bdt n ASN 29 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1bdt n GLY 30 N 1.09 -0.51 3.44 7.41 0.00 0.19 -4.98 105.19 111.83 1bdt n GLY 30 Ca 0.13 0.19 -0.22 0.00 0.00 0.00 0.00 46.02 46.12 1bdt n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bdt s ARG 31 N -6.42 1.57 0.77 1.61 0.52 -0.03 -5.02 118.95 111.94 1bdt s ARG 31 Ca 0.60 -1.78 -0.12 0.00 -0.52 0.00 0.00 55.73 53.91 1bdt s ARG 31 Cb -0.29 -1.30 0.05 0.00 0.52 0.00 0.00 34.95 33.93 1bdt s ARG 31 CO 0.73 0.11 1.12 -1.54 0.02 0.00 0.00 175.30 175.74 1bdt s SER 32 N -3.46 4.86 0.20 0.23 1.04 -1.26 -4.06 113.70 111.26 1bdt s SER 32 Ca 0.29 1.10 -0.06 0.00 0.48 0.00 0.00 55.95 57.76 1bdt s SER 32 Cb 0.02 -1.81 0.15 0.00 0.10 0.00 0.00 66.02 64.48 1bdt s SER 32 CO 0.12 -1.71 1.63 0.58 0.98 0.00 0.00 173.24 174.84 1bdt h VAL 33 N -0.91 1.27 0.14 5.02 2.07 -1.92 0.71 116.25 122.63 1bdt h VAL 33 Ca -0.46 -1.29 0.02 0.00 0.82 0.00 0.00 66.70 65.78 1bdt h VAL 33 Cb 1.28 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 32.12 1bdt h VAL 33 CO 0.63 0.44 -0.28 -1.13 0.02 0.00 0.00 177.57 177.25 1bdt h ASN 34 N 0.76 -0.78 -0.36 0.57 -1.24 -1.99 -0.72 115.58 111.82 1bdt h ASN 34 Ca 0.11 0.09 -0.14 0.00 0.71 0.00 0.00 56.30 57.07 1bdt h ASN 34 Cb 0.70 0.29 -0.01 0.00 0.73 0.00 0.00 38.32 40.03 1bdt h ASN 34 CO 0.05 -0.37 -0.30 0.28 -1.29 0.00 0.00 177.43 175.81 1bdt h SER 35 N -0.50 0.92 -0.22 1.15 0.02 -1.91 -0.77 113.55 112.23 1bdt h SER 35 Ca 0.02 -0.38 0.04 0.00 -0.84 0.00 0.00 61.79 60.64 1bdt h SER 35 Cb 0.52 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.77 1bdt h SER 35 CO -0.15 1.14 -0.01 -0.08 -1.14 0.00 0.00 176.83 176.60 1bdt h GLU 36 N 0.75 0.06 -0.06 3.45 4.57 -0.60 0.31 114.58 123.06 1bdt h GLU 36 Ca 0.08 -0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.26 1bdt h GLU 36 Cb 0.86 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.43 1bdt h GLU 36 CO 0.08 0.04 0.03 0.82 -1.18 0.00 0.00 179.01 178.80 1bdt h ILE 37 N 0.06 1.06 -0.71 2.32 2.04 -1.04 -2.48 117.51 118.75 1bdt h ILE 37 Ca 0.10 -0.16 0.14 0.00 1.00 0.00 0.00 64.86 65.95 1bdt h ILE 37 Cb 0.14 1.06 -0.10 0.00 -0.74 0.00 0.00 36.82 37.18 1bdt h ILE 37 CO -0.18 0.05 0.21 0.22 0.00 0.00 0.00 178.15 178.45 1bdt h TYR 38 N 0.03 0.35 -0.55 1.37 3.20 -0.42 -1.13 116.97 119.81 1bdt h TYR 38 Ca 0.02 0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.93 1bdt h TYR 38 Cb 0.05 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.25 1bdt h TYR 38 CO -0.06 -0.02 0.37 1.96 -1.64 0.00 0.00 178.16 178.77 1bdt h GLN 39 N 0.33 0.73 -0.44 1.82 1.08 -0.06 -1.39 115.11 117.18 1bdt h GLN 39 Ca 0.39 -0.04 -0.10 0.00 -1.45 0.00 0.00 58.65 57.45 1bdt h GLN 39 Cb 0.62 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.87 1bdt h GLN 39 CO -0.44 0.49 -0.11 0.00 -0.95 0.00 0.00 178.83 177.81 1bdt h ARG 40 N 0.75 0.85 0.26 1.46 3.08 -0.87 -0.94 114.38 118.97 1bdt h ARG 40 Ca 0.20 -0.33 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 1bdt h ARG 40 Cb -0.08 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 29.92 1bdt h ARG 40 CO -0.04 0.96 -0.13 0.28 -1.07 0.00 0.00 179.97 179.97 1bdt h VAL 41 N 0.68 0.77 -0.98 2.04 2.07 -1.05 0.25 116.25 120.02 1bdt h VAL 41 Ca 0.11 -0.17 0.04 0.00 0.82 0.00 0.00 66.70 67.50 1bdt h VAL 41 Cb 0.65 0.87 -0.06 0.00 -1.52 0.00 0.00 31.29 31.23 1bdt h VAL 41 CO 0.04 0.04 0.64 0.24 0.02 0.00 0.00 177.57 178.55 1bdt h MET 42 N -0.44 1.18 -0.46 1.57 2.86 -1.27 -1.10 114.93 117.27 1bdt h MET 42 Ca -0.04 -0.07 0.06 0.00 -2.06 0.00 0.00 59.70 57.59 1bdt h MET 42 Cb 0.33 -0.27 -0.05 0.00 0.06 0.00 0.00 31.60 31.67 1bdt h MET 42 CO 0.06 0.78 0.16 1.49 1.06 0.00 0.00 176.91 180.46 1bdt h GLU 43 N 1.21 0.32 -0.83 1.72 4.57 -0.59 0.25 114.58 121.25 1bdt h GLU 43 Ca 0.40 -0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.57 1bdt h GLU 43 Cb 0.05 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.52 1bdt h GLU 43 CO -0.14 0.21 0.55 0.66 -1.18 0.00 0.00 179.01 179.11 1bdt h SER 44 N 0.33 0.94 -0.19 1.04 4.64 0.24 -0.14 113.55 120.42 1bdt h SER 44 Ca 0.22 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.50 1bdt h SER 44 Cb 0.22 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 1bdt h SER 44 CO -0.22 0.68 0.06 -0.26 -0.87 0.00 0.00 176.83 176.21 1bdt h PHE 45 N 1.11 0.31 -0.08 4.77 0.04 -0.27 0.40 116.94 123.22 1bdt h PHE 45 Ca 0.30 -0.03 0.04 0.00 2.80 0.00 0.00 57.97 61.08 1bdt h PHE 45 Cb -0.12 -0.09 -0.05 0.00 2.20 0.00 0.00 35.95 37.89 1bdt h PHE 45 CO -0.02 0.40 -0.23 0.87 -0.60 0.00 0.00 178.31 178.73 1bdt h LYS 46 N 0.13 -0.31 -0.71 1.51 1.57 -0.05 0.16 116.57 118.86 1bdt h LYS 46 Ca 0.06 0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 1bdt h LYS 46 Cb 0.24 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 1bdt h LYS 46 CO -0.00 -0.21 0.28 -0.22 -0.57 0.00 0.00 179.45 178.73 1bdt h LYS 47 N -0.32 1.06 0.00 3.15 3.64 -0.87 -1.57 116.57 121.65 1bdt h LYS 47 Ca 0.08 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1bdt h LYS 47 Cb 0.44 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1bdt h LYS 47 CO -0.26 0.86 0.00 0.39 -2.27 0.00 0.00 179.45 178.17 1bdt n GLU 48 N -4.29 0.81 -1.75 1.90 1.02 0.14 -4.83 120.64 113.64 1bdt n GLU 48 Ca 0.06 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 57.03 1bdt n GLU 48 Cb 0.18 -1.27 -0.06 0.00 -0.02 0.00 0.00 31.44 30.28 1bdt n GLU 48 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bdt n GLY 49 N 0.47 1.13 0.88 0.62 0.00 -0.38 -5.02 105.19 102.90 1bdt n GLY 49 Ca 0.10 -0.17 0.12 0.00 0.00 0.00 0.00 46.02 46.08 1bdt n GLY 49 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19