#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k35 n ILE 2 N 0.00 0.90 -2.05 5.09 5.41 -1.26 -4.89 119.36 122.56 2k35 n ILE 2 Ca 0.00 -0.95 -0.27 0.00 1.00 0.00 0.00 62.75 62.53 2k35 n ILE 2 Cb 0.00 0.58 -0.05 0.00 -0.71 0.00 0.00 39.64 39.46 2k35 n ILE 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2k35 s VAL 3 N -1.04 3.46 -0.04 1.39 0.11 -1.26 -4.85 120.40 118.18 2k35 s VAL 3 Ca 0.34 -0.48 -0.02 0.00 -2.93 0.00 0.00 61.98 58.90 2k35 s VAL 3 Cb 0.18 -4.11 0.03 0.00 -1.53 0.00 0.00 36.38 30.95 2k35 s VAL 3 CO 0.24 -0.95 0.05 -1.81 -3.33 0.00 0.00 175.10 169.30 2k35 s ASP 4 N 7.75 1.07 0.22 3.54 1.01 -1.26 -4.89 116.67 124.11 2k35 s ASP 4 Ca 0.70 0.06 -0.08 0.00 0.71 0.00 0.00 52.55 53.94 2k35 s ASP 4 Cb -0.06 -0.16 -0.07 0.00 1.01 0.00 0.00 42.92 43.64 2k35 s ASP 4 CO 0.02 -0.23 0.52 0.00 0.21 0.00 0.00 175.17 175.69 2k35 n TRP 6 N -0.22 0.00 0.00 0.00 5.03 0.13 -1.85 117.44 120.53 2k35 n TRP 6 Ca -0.00 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.53 2k35 n TRP 6 Cb 0.52 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.80 2k35 n TRP 6 CO 0.00 0.00 0.00 -1.91 -0.03 0.00 0.00 177.69 175.75 2k35 n GLU 7 N 0.00 0.00 -3.40 -0.99 2.13 -1.23 -4.81 120.64 112.33 2k35 n GLU 7 Ca 0.00 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.66 2k35 n GLU 7 Cb 0.00 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 31.67 2k35 n GLU 7 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2k35 n THR 8 N 0.00 0.00 0.09 6.31 -2.24 -1.26 -4.87 114.28 112.31 2k35 n THR 8 Ca 0.00 -1.34 -0.00 0.00 -2.27 0.00 0.00 64.05 60.43 2k35 n THR 8 Cb 0.00 0.41 0.29 0.00 -2.10 0.00 0.00 70.33 68.93 2k35 n THR 8 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 2k35 h TRP 9 N 1.30 0.31 -0.25 4.78 7.01 -2.00 0.25 115.95 127.35 2k35 h TRP 9 Ca -0.20 -0.06 -0.02 0.00 2.11 0.00 0.00 58.89 60.72 2k35 h TRP 9 Cb 0.70 -0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 27.66 2k35 h TRP 9 CO 0.00 0.53 0.06 0.66 -2.79 0.00 0.00 178.44 176.90 2k35 h SER 10 N 0.26 0.38 0.94 2.65 4.64 -1.96 -2.57 113.55 117.88 2k35 h SER 10 Ca 0.04 -0.23 -0.06 0.00 -0.47 0.00 0.00 61.79 61.07 2k35 h SER 10 Cb 0.60 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 2k35 h SER 10 CO 0.04 0.50 -0.30 0.03 -0.87 0.00 0.00 176.83 176.23 2k35 h ARG 11 N 0.23 0.00 -0.54 4.77 -0.00 -1.68 -2.70 114.38 114.46 2k35 h ARG 11 Ca 0.08 0.00 0.04 0.00 -0.50 0.00 0.00 59.98 59.60 2k35 h ARG 11 Cb 0.27 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.21 2k35 h ARG 11 CO 0.00 0.30 0.36 0.00 0.00 0.00 0.00 179.97 180.63 2k35 n THR 13 N -4.47 0.21 -3.42 0.00 -2.24 -1.14 -4.28 114.28 98.94 2k35 n THR 13 Ca 0.07 -0.52 -0.23 0.00 -2.27 0.00 0.00 64.05 61.10 2k35 n THR 13 Cb 0.19 -0.11 -0.10 0.00 -2.10 0.00 0.00 70.33 68.20 2k35 n THR 13 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2k35 s LYS 14 N -3.46 0.54 0.07 -0.78 1.02 -0.80 -3.60 119.74 112.72 2k35 s LYS 14 Ca -0.06 -0.96 -0.26 0.00 0.02 0.00 0.00 55.97 54.71 2k35 s LYS 14 Cb 0.13 -0.99 0.09 0.00 -0.52 0.00 0.00 37.83 36.54 2k35 s LYS 14 CO 0.87 -1.17 1.18 -0.46 -0.92 0.00 0.00 175.35 174.85 2k35 s TRP 15 N 1.42 0.05 -0.29 3.18 -0.11 -1.10 -4.39 118.94 117.70 2k35 s TRP 15 Ca 0.16 -0.30 0.03 0.00 1.22 0.00 0.00 56.10 57.21 2k35 s TRP 15 Cb -0.18 0.62 0.19 0.00 -1.50 0.00 0.00 33.47 32.60 2k35 s TRP 15 CO -0.07 -0.56 0.58 -1.12 -4.62 0.00 0.00 176.95 171.17 2k35 s SER 16 N -3.66 -1.42 0.76 5.86 0.01 -1.26 -4.03 113.70 109.95 2k35 s SER 16 Ca 0.27 0.48 0.00 0.00 1.31 0.00 0.00 55.95 58.00 2k35 s SER 16 Cb -0.02 2.05 0.00 0.00 0.21 0.00 0.00 66.02 68.26 2k35 s SER 16 CO 0.02 -0.28 0.00 0.00 0.41 0.00 0.00 173.24 173.39 2k35 n GLN 17 N 5.42 0.00 -0.04 12.44 6.02 -0.77 0.13 117.38 140.57 2k35 n GLN 17 Ca 0.02 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.05 2k35 n GLN 17 Cb 0.52 0.00 0.05 0.00 1.02 0.00 0.00 30.24 31.84 2k35 n GLN 17 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2k35 n GLY 18 N 0.00 3.27 3.16 1.08 0.00 -1.26 -4.29 105.19 107.15 2k35 n GLY 18 Ca 0.00 -0.41 0.05 0.00 0.00 0.00 0.00 46.02 45.66 2k35 n GLY 18 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k35 s GLY 19 N -1.63 0.05 -0.20 -0.02 0.00 0.12 -5.13 107.32 100.51 2k35 s GLY 19 Ca 0.12 3.33 -0.40 0.00 0.00 0.00 0.00 44.72 47.77 2k35 s GLY 19 CO 0.01 3.77 1.61 2.41 0.00 0.00 0.00 173.10 180.90 2k35 n THR 20 N 5.15 0.20 0.00 0.90 -1.04 -1.23 -4.45 114.28 113.82 2k35 n THR 20 Ca -0.08 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 2k35 n THR 20 Cb 0.55 -1.03 0.00 0.00 -1.82 0.00 0.00 70.33 68.04 2k35 n THR 20 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k35 n GLY 21 N 3.68 2.92 0.41 3.41 0.00 -1.26 -4.92 105.19 109.43 2k35 n GLY 21 Ca 0.25 -0.35 0.08 0.00 0.00 0.00 0.00 46.02 45.99 2k35 n GLY 21 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2k35 n THR 22 N 0.00 1.81 -1.06 2.61 -1.04 -1.26 -4.52 114.28 110.82 2k35 n THR 22 Ca 0.00 -1.82 0.07 0.00 -2.04 0.00 0.00 64.05 60.26 2k35 n THR 22 Cb 0.00 -0.06 0.24 0.00 -1.82 0.00 0.00 70.33 68.69 2k35 n THR 22 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2k35 n LEU 23 N -0.77 3.81 0.00 -4.42 4.77 -1.26 -4.96 117.00 114.17 2k35 n LEU 23 Ca 0.15 -3.13 0.00 0.00 -0.03 0.00 0.00 56.01 53.00 2k35 n LEU 23 Cb 0.65 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 2k35 n LEU 23 CO 0.07 0.75 0.00 -2.67 -1.33 0.00 0.00 177.39 174.21 2k35 n TRP 24 N -0.68 0.00 -1.22 -1.77 4.27 -1.26 -4.74 117.44 112.05 2k35 n TRP 24 Ca 0.23 0.00 -0.08 0.00 -3.89 0.00 0.00 57.50 53.76 2k35 n TRP 24 Cb 0.90 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.81 2k35 n TRP 24 CO 0.00 0.00 0.00 1.63 -2.29 0.00 0.00 177.69 177.03 2k35 n LYS 25 N 0.00 -0.66 -0.67 -2.67 5.02 -1.26 -4.74 118.16 113.19 2k35 n LYS 25 Ca 0.00 0.72 0.01 0.00 -2.02 0.00 0.00 58.31 57.02 2k35 n LYS 25 Cb 0.00 -4.56 -0.01 0.00 -0.02 0.00 0.00 35.03 30.44 2k35 n LYS 25 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2k35 n SER 26 N 0.41 -3.59 0.27 4.39 7.64 -1.24 -4.04 113.62 117.46 2k35 n SER 26 Ca -0.08 0.78 0.18 0.00 1.01 0.00 0.00 58.87 60.77 2k35 n SER 26 Cb 0.28 -1.69 0.85 0.00 -1.01 0.00 0.00 64.21 62.64 2k35 n SER 26 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k35 h ASN 28 N 0.00 0.05 -0.28 0.00 -0.73 -1.94 0.39 115.58 113.07 2k35 h ASN 28 Ca 0.00 -0.12 -0.08 0.00 1.87 0.00 0.00 56.30 57.98 2k35 h ASN 28 Cb 0.27 -0.01 -0.02 0.00 0.27 0.00 0.00 38.32 38.83 2k35 h ASN 28 CO 0.00 0.15 -0.08 -0.78 -0.37 0.00 0.00 177.43 176.36 2k35 h ASP 29 N -0.06 0.64 0.08 1.15 3.58 -1.65 -0.38 116.42 119.79 2k35 h ASP 29 Ca 0.01 -0.17 -0.04 0.00 0.42 0.00 0.00 57.03 57.26 2k35 h ASP 29 Cb 0.12 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 40.99 2k35 h ASP 29 CO -0.00 0.76 -0.12 0.03 -2.88 0.00 0.00 179.24 177.03 2k35 h ARG 30 N 0.61 0.10 0.00 0.28 2.47 -1.34 -1.71 114.38 114.80 2k35 h ARG 30 Ca 0.11 -0.02 -0.13 0.00 -1.26 0.00 0.00 59.98 58.69 2k35 h ARG 30 Cb 0.50 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.78 2k35 h ARG 30 CO 0.03 0.23 -0.88 0.00 0.56 0.00 0.00 179.97 179.91 2k35 h LYS 32 N 0.00 0.45 0.00 0.00 1.57 -0.14 -0.37 116.57 118.08 2k35 h LYS 32 Ca -0.07 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2k35 h LYS 32 Cb 1.45 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.67 2k35 h LYS 32 CO 0.06 0.36 0.00 1.05 -0.57 0.00 0.00 179.45 180.34 2k35 h GLU 33 N 0.45 0.00 0.00 3.15 4.11 -1.62 -2.27 114.58 118.40 2k35 h GLU 33 Ca 0.12 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.46 2k35 h GLU 33 Cb 0.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2k35 h GLU 33 CO -0.02 0.00 -1.66 -0.11 0.07 0.00 0.00 179.01 177.29 2k35 n LEU 34 N -2.88 0.40 0.00 3.06 7.94 -0.27 -4.98 117.00 120.27 2k35 n LEU 34 Ca 0.00 0.17 0.00 0.00 -1.11 0.00 0.00 56.01 55.07 2k35 n LEU 34 Cb 0.24 0.06 0.00 0.00 0.53 0.00 0.00 43.42 44.25 2k35 n LEU 34 CO 0.24 0.04 0.00 0.61 -1.11 0.00 0.00 177.39 177.17 2k35 n GLY 35 N 1.33 1.65 3.19 -3.96 0.00 -0.68 -5.12 105.19 101.60 2k35 n GLY 35 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 2k35 n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k35 s ARG 36 N -0.09 2.08 -0.01 1.61 1.81 -0.47 -4.99 118.95 118.89 2k35 s ARG 36 Ca 0.00 -0.73 0.22 0.00 -1.72 0.00 0.00 55.73 53.50 2k35 s ARG 36 Cb 0.00 -1.79 0.64 0.00 -0.45 0.00 0.00 34.95 33.35 2k35 s ARG 36 CO 0.00 0.30 1.54 1.63 -0.68 0.00 0.00 175.30 178.09 2k35 n LYS 37 N 3.05 2.87 -3.97 3.54 5.02 -1.26 -2.35 118.16 125.06 2k35 n LYS 37 Ca -0.18 -2.67 -0.13 0.00 -2.02 0.00 0.00 58.31 53.31 2k35 n LYS 37 Cb 0.53 -1.60 -0.14 0.00 -0.02 0.00 0.00 35.03 33.80 2k35 n LYS 37 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2k35 s ARG 38 N -1.11 0.16 -0.13 1.97 3.52 -1.26 -5.01 118.95 117.10 2k35 s ARG 38 Ca 0.48 -0.14 -0.01 0.00 -0.13 0.00 0.00 55.73 55.94 2k35 s ARG 38 Cb 0.26 -0.11 0.03 0.00 -1.56 0.00 0.00 34.95 33.57 2k35 s ARG 38 CO 0.32 0.03 -0.03 0.20 -0.81 0.00 0.00 175.30 175.00 2k35 s GLY 39 N -0.23 0.75 -0.52 8.12 0.00 -1.26 -0.08 107.32 114.10 2k35 s GLY 39 Ca -0.01 -0.53 -0.27 0.00 0.00 0.00 0.00 44.72 43.90 2k35 s GLY 39 CO -0.00 1.02 1.08 1.20 0.00 0.00 0.00 173.10 176.40 2k35 s GLN 40 N 1.78 3.56 -0.66 2.90 -1.52 0.10 -4.71 119.66 121.11 2k35 s GLN 40 Ca 0.03 0.26 -0.26 0.00 -1.95 0.00 0.00 55.36 53.44 2k35 s GLN 40 Cb -0.14 -3.97 0.04 0.00 -0.22 0.00 0.00 33.01 28.72 2k35 s GLN 40 CO -0.07 -1.46 1.17 0.00 -0.25 0.00 0.00 175.29 174.67 2k35 n GLU 42 N 8.63 0.66 0.00 0.00 0.28 0.22 -4.94 120.64 125.49 2k35 n GLU 42 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.03 2k35 n GLU 42 Cb 0.48 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.35 2k35 n GLU 42 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2k35 n GLU 43 N 0.00 0.00 -3.54 3.44 1.02 -1.26 0.85 120.64 121.15 2k35 n GLU 43 Ca 0.00 0.43 -0.18 0.00 -0.02 0.00 0.00 57.16 57.39 2k35 n GLU 43 Cb 0.00 -1.10 0.01 0.00 -0.02 0.00 0.00 31.44 30.32 2k35 n GLU 43 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2k35 n LYS 44 N -1.79 -1.39 0.30 3.49 4.76 -1.26 -2.06 118.16 120.20 2k35 n LYS 44 Ca 0.00 0.95 0.17 0.00 -2.87 0.00 0.00 58.31 56.55 2k35 n LYS 44 Cb 0.00 -3.72 0.97 0.00 -1.84 0.00 0.00 35.03 30.43 2k35 n LYS 44 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 2k35 h PRO 45 N -0.33 0.00 -0.17 1.97 0.11 -1.91 -1.76 132.00 129.91 2k35 h PRO 45 Ca -0.43 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.67 2k35 h PRO 45 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 2k35 h PRO 45 CO 0.37 0.00 0.07 0.66 -0.21 0.00 0.00 178.00 178.88 2k35 h SER 46 N 0.00 0.21 -0.67 -2.05 4.64 -1.95 -1.73 113.55 112.00 2k35 h SER 46 Ca 0.01 -0.01 -0.36 0.00 -0.47 0.00 0.00 61.79 60.95 2k35 h SER 46 Cb 0.07 -0.05 -0.21 0.00 -0.31 0.00 0.00 62.40 61.89 2k35 h SER 46 CO -0.00 0.20 0.25 -1.14 -0.87 0.00 0.00 176.83 175.27 2k35 n ARG 47 N -4.46 2.11 -3.97 4.77 0.63 -0.66 -4.92 116.66 110.17 2k35 n ARG 47 Ca -0.00 -3.16 -0.18 0.00 -0.92 0.00 0.00 57.85 53.58 2k35 n ARG 47 Cb 0.12 -2.01 -0.16 0.00 0.45 0.00 0.00 32.46 30.85 2k35 n ARG 47 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2k35 n PRO 49 N 4.20 0.19 -3.14 0.00 -0.04 -1.26 -4.79 135.00 130.16 2k35 n PRO 49 Ca -0.25 0.28 -0.20 0.00 -0.04 0.00 0.00 63.50 63.29 2k35 n PRO 49 Cb 0.50 -1.78 0.01 0.00 -0.04 0.00 0.00 33.50 32.19 2k35 n PRO 49 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2k35 s LEU 50 N -4.26 3.74 -0.18 1.53 2.01 -1.26 -5.06 118.68 115.19 2k35 s LEU 50 Ca 0.08 -0.02 -0.11 0.00 0.01 0.00 0.00 54.13 54.09 2k35 s LEU 50 Cb 0.12 -2.91 -0.08 0.00 0.01 0.00 0.00 46.19 43.33 2k35 s LEU 50 CO 0.49 -0.65 -0.27 -1.54 1.01 0.00 0.00 176.35 175.39 2k35 n SER 51 N -1.91 1.54 0.14 2.29 3.41 -1.26 -4.43 113.62 113.39 2k35 n SER 51 Ca 0.02 0.26 0.11 0.00 -0.26 0.00 0.00 58.87 59.00 2k35 n SER 51 Cb 0.58 -0.62 0.05 0.00 -0.26 0.00 0.00 64.21 63.96 2k35 n SER 51 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2k35 h LYS 52 N -0.74 0.00 -0.42 4.33 3.64 -2.00 -3.25 116.57 118.12 2k35 h LYS 52 Ca -0.37 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 2k35 h LYS 52 Cb 1.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 2k35 h LYS 52 CO -0.22 0.04 0.00 1.63 -2.27 0.00 0.00 179.45 178.63 2k35 n LYS 53 N -2.84 2.00 -1.47 1.90 5.02 -1.26 -4.93 118.16 116.58 2k35 n LYS 53 Ca 0.01 -1.47 -0.47 0.00 -2.02 0.00 0.00 58.31 54.35 2k35 n LYS 53 Cb 0.57 -1.34 -0.07 0.00 -0.02 0.00 0.00 35.03 34.16 2k35 n LYS 53 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k35 n ALA 54 N 0.67 0.96 -3.54 7.82 0.00 -1.23 -3.52 120.51 121.68 2k35 n ALA 54 Ca 0.14 -0.23 -0.01 0.00 0.00 0.00 0.00 53.44 53.34 2k35 n ALA 54 Cb 0.36 -2.63 -0.05 0.00 0.00 0.00 0.00 19.45 17.13 2k35 n ALA 54 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 2k35 s TRP 55 N 8.32 -0.72 0.14 0.00 -0.11 -0.88 -4.40 118.94 121.28 2k35 s TRP 55 Ca 1.11 1.33 -0.12 0.00 1.22 0.00 0.00 56.10 59.64 2k35 s TRP 55 Cb -0.79 0.43 0.01 0.00 -1.50 0.00 0.00 33.47 31.63 2k35 s TRP 55 CO 0.45 -0.36 0.32 -0.08 -4.62 0.00 0.00 176.95 172.67 2k35 s THR 56 N 2.00 0.08 -0.38 5.86 -1.32 0.25 0.22 115.64 122.35 2k35 s THR 56 Ca -0.06 -1.01 -0.12 0.00 -1.21 0.00 0.00 61.69 59.29 2k35 s THR 56 Cb -0.06 -1.46 0.02 0.00 -1.51 0.00 0.00 72.50 69.50 2k35 s THR 56 CO -0.17 -0.38 0.23 0.00 -2.21 0.00 0.00 174.62 172.09 2k35 s ILE 58 N 1.59 4.70 0.05 0.00 -1.09 0.91 -4.59 121.20 122.77 2k35 s ILE 58 Ca 0.03 2.02 -0.30 0.00 -2.23 0.00 0.00 60.65 60.17 2k35 s ILE 58 Cb -0.19 -4.30 -0.08 0.00 -1.58 0.00 0.00 42.46 36.30 2k35 s ILE 58 CO 0.08 -0.12 1.76 0.00 -1.23 0.00 0.00 174.94 175.43