#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k35 s ILE 2 N 0.00 -0.05 -0.77 5.09 -4.36 -1.26 -4.87 121.20 114.98 2k35 s ILE 2 Ca 0.00 0.18 0.00 0.00 -0.26 0.00 0.00 60.65 60.57 2k35 s ILE 2 Cb 0.00 -0.21 0.00 0.00 1.25 0.00 0.00 42.46 43.50 2k35 s ILE 2 CO 0.00 0.07 0.00 1.33 0.24 0.00 0.00 174.94 176.58 2k35 n VAL 3 N 4.16 -0.35 -3.79 8.37 0.24 -1.18 -4.92 118.33 120.87 2k35 n VAL 3 Ca -0.26 0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 61.68 2k35 n VAL 3 Cb 0.52 -1.17 -0.12 0.00 -1.47 0.00 0.00 33.84 31.60 2k35 n VAL 3 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 2k35 s ASP 4 N -1.98 5.23 0.10 -1.34 1.47 -1.23 -3.50 116.67 115.42 2k35 s ASP 4 Ca 0.00 -1.97 -0.26 0.00 1.18 0.00 0.00 52.55 51.50 2k35 s ASP 4 Cb 0.00 -1.82 0.08 0.00 -0.34 0.00 0.00 42.92 40.84 2k35 s ASP 4 CO 0.00 -0.52 0.86 0.00 0.68 0.00 0.00 175.17 176.19 2k35 n TRP 6 N -0.37 -0.26 -0.66 0.00 -0.00 -0.43 -4.49 117.44 111.23 2k35 n TRP 6 Ca -0.08 0.00 0.09 0.00 -0.00 0.00 0.00 57.50 57.50 2k35 n TRP 6 Cb 0.62 0.00 0.34 0.00 -0.00 0.00 0.00 31.31 32.26 2k35 n TRP 6 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 177.69 178.08 2k35 n GLU 7 N 0.00 3.72 -4.03 5.87 1.02 -1.26 -2.91 120.64 123.05 2k35 n GLU 7 Ca 0.00 -2.86 -0.13 0.00 -0.02 0.00 0.00 57.16 54.15 2k35 n GLU 7 Cb 0.00 -1.88 -0.13 0.00 -0.02 0.00 0.00 31.44 29.41 2k35 n GLU 7 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2k35 s THR 8 N -1.97 0.26 0.15 2.62 2.01 -1.26 -5.04 115.64 112.41 2k35 s THR 8 Ca 0.49 -0.39 -0.17 0.00 0.31 0.00 0.00 61.69 61.93 2k35 s THR 8 Cb 0.32 -0.27 0.01 0.00 0.01 0.00 0.00 72.50 72.57 2k35 s THR 8 CO 0.22 -0.09 1.76 -0.25 -0.69 0.00 0.00 174.62 175.56 2k35 h TRP 9 N 5.61 0.24 -0.52 4.92 7.01 -1.96 0.82 115.95 132.07 2k35 h TRP 9 Ca -0.29 0.02 -0.07 0.00 2.11 0.00 0.00 58.89 60.66 2k35 h TRP 9 Cb 1.20 -0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 28.19 2k35 h TRP 9 CO 0.48 0.11 0.05 0.66 -2.79 0.00 0.00 178.44 176.95 2k35 h SER 10 N 0.28 0.85 -0.77 2.65 4.64 -1.98 -2.50 113.55 116.73 2k35 h SER 10 Ca 0.15 -0.28 -0.05 0.00 -0.47 0.00 0.00 61.79 61.14 2k35 h SER 10 Cb 0.11 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 61.94 2k35 h SER 10 CO -0.14 0.92 0.27 0.03 -0.87 0.00 0.00 176.83 177.04 2k35 h ARG 11 N 0.76 1.17 -0.25 4.77 -0.00 -1.86 -2.05 114.38 116.91 2k35 h ARG 11 Ca 0.15 -0.23 -0.08 0.00 -0.50 0.00 0.00 59.98 59.33 2k35 h ARG 11 Cb 0.45 -0.18 -0.01 0.00 0.00 0.00 0.00 29.97 30.23 2k35 h ARG 11 CO 0.02 0.97 -0.18 0.00 0.00 0.00 0.00 179.97 180.78 2k35 n THR 13 N -4.18 0.15 -0.24 0.00 -2.24 -0.95 -2.71 114.28 104.11 2k35 n THR 13 Ca 0.00 -0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.86 2k35 n THR 13 Cb 0.35 -0.56 0.30 0.00 -2.10 0.00 0.00 70.33 68.32 2k35 n THR 13 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2k35 n LYS 14 N -1.58 3.17 0.00 -0.78 5.02 -0.77 -0.70 118.16 122.52 2k35 n LYS 14 Ca 0.07 -2.43 0.00 0.00 -2.02 0.00 0.00 58.31 53.92 2k35 n LYS 14 Cb 0.33 -1.74 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 2k35 n LYS 14 CO 0.00 0.00 0.00 1.87 -0.52 0.00 0.00 177.40 178.75 2k35 n TRP 15 N 1.04 0.00 0.00 2.13 -0.00 -1.10 -3.75 117.44 115.77 2k35 n TRP 15 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.72 2k35 n TRP 15 Cb 0.73 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 32.04 2k35 n TRP 15 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 2k35 n SER 16 N 2.73 0.00 0.00 5.87 2.88 -1.26 -2.77 113.62 121.07 2k35 n SER 16 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2k35 n SER 16 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2k35 n SER 16 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k35 n GLN 17 N 0.00 0.00 0.00 -1.46 1.13 -1.23 -0.48 117.38 115.34 2k35 n GLN 17 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2k35 n GLN 17 Cb 0.00 -1.19 0.00 0.00 0.11 0.00 0.00 30.24 29.16 2k35 n GLN 17 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2k35 n GLY 18 N -2.00 3.15 0.22 1.08 0.00 -1.26 -4.84 105.19 101.54 2k35 n GLY 18 Ca 0.00 -1.05 0.05 0.00 0.00 0.00 0.00 46.02 45.02 2k35 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k35 n GLY 19 N 0.00 -0.13 4.16 -0.02 0.00 -1.24 -5.02 105.19 102.94 2k35 n GLY 19 Ca 0.00 -0.30 -0.38 0.00 0.00 0.00 0.00 46.02 45.34 2k35 n GLY 19 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2k35 n THR 20 N -0.33 -2.14 0.00 2.61 5.66 0.37 -4.94 114.28 115.51 2k35 n THR 20 Ca 0.04 -0.57 0.00 0.00 -3.05 0.00 0.00 64.05 60.47 2k35 n THR 20 Cb 0.21 -1.85 0.00 0.00 -1.55 0.00 0.00 70.33 67.14 2k35 n THR 20 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2k35 n GLY 21 N -2.28 1.49 0.00 1.09 0.00 -1.26 -4.92 105.19 99.31 2k35 n GLY 21 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2k35 n GLY 21 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k35 n THR 22 N -0.28 0.00 -1.60 2.61 -2.24 -1.26 -4.86 114.28 106.65 2k35 n THR 22 Ca 0.00 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.71 2k35 n THR 22 Cb 0.00 0.98 0.16 0.00 -2.10 0.00 0.00 70.33 69.38 2k35 n THR 22 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2k35 n LEU 23 N 0.00 4.13 0.02 3.22 7.94 -1.26 -4.77 117.00 126.28 2k35 n LEU 23 Ca 0.00 -4.04 -0.01 0.00 -1.11 0.00 0.00 56.01 50.85 2k35 n LEU 23 Cb 0.45 -0.57 -0.01 0.00 0.53 0.00 0.00 43.42 43.82 2k35 n LEU 23 CO 0.00 1.48 0.11 4.11 -1.11 0.00 0.00 177.39 181.99 2k35 h TRP 24 N 1.28 -0.08 0.00 1.96 5.08 -1.83 -3.45 115.95 118.91 2k35 h TRP 24 Ca 0.22 -0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.19 2k35 h TRP 24 Cb 1.42 0.03 0.00 0.00 -3.00 0.00 0.00 29.16 27.61 2k35 h TRP 24 CO 0.96 -0.05 0.00 1.17 -1.28 0.00 0.00 178.44 179.24 2k35 n LYS 25 N -2.91 0.00 -3.61 0.12 4.81 -1.25 -4.38 118.16 110.94 2k35 n LYS 25 Ca -0.01 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.34 2k35 n LYS 25 Cb 0.04 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.03 2k35 n LYS 25 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 2k35 s SER 26 N -4.00 -0.34 0.10 3.14 1.04 -1.25 -4.76 113.70 107.63 2k35 s SER 26 Ca 0.00 0.54 -0.13 0.00 0.48 0.00 0.00 55.95 56.84 2k35 s SER 26 Cb 0.00 0.50 -0.17 0.00 0.10 0.00 0.00 66.02 66.45 2k35 s SER 26 CO 0.00 -0.21 1.29 0.00 0.98 0.00 0.00 173.24 175.31 2k35 h ASN 28 N 0.53 0.60 -0.33 0.00 -0.73 -1.90 -0.40 115.58 113.35 2k35 h ASN 28 Ca -0.06 0.03 -0.05 0.00 1.87 0.00 0.00 56.30 58.08 2k35 h ASN 28 Cb 1.45 -0.09 -0.01 0.00 0.27 0.00 0.00 38.32 39.93 2k35 h ASN 28 CO 0.17 0.39 0.01 -0.78 -0.37 0.00 0.00 177.43 176.84 2k35 h ASP 29 N 0.74 0.56 0.83 1.15 1.82 -1.93 0.52 116.42 120.11 2k35 h ASP 29 Ca 0.31 -0.30 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 2k35 h ASP 29 Cb 0.18 -0.15 0.00 0.00 0.68 0.00 0.00 39.33 40.04 2k35 h ASP 29 CO -0.18 0.73 0.00 0.03 -1.61 0.00 0.00 179.24 178.21 2k35 h ARG 30 N 0.38 0.00 0.00 0.28 3.08 -1.31 -1.53 114.38 115.28 2k35 h ARG 30 Ca 0.09 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.07 2k35 h ARG 30 Cb 0.43 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 2k35 h ARG 30 CO 0.02 0.00 -1.21 0.00 -1.07 0.00 0.00 179.97 177.70 2k35 h LYS 32 N 0.00 0.83 0.00 0.00 1.63 0.16 -1.69 116.57 117.50 2k35 h LYS 32 Ca -0.07 -0.24 0.00 0.00 -0.85 0.00 0.00 60.65 59.49 2k35 h LYS 32 Cb 1.25 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.79 2k35 h LYS 32 CO 0.02 0.85 0.00 1.05 -3.45 0.00 0.00 179.45 177.92 2k35 h GLU 33 N 0.70 0.00 0.00 1.90 4.11 -1.66 -0.76 114.58 118.87 2k35 h GLU 33 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.57 2k35 h GLU 33 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2k35 h GLU 33 CO 0.02 0.00 -0.74 1.28 0.07 0.00 0.00 179.01 179.63 2k35 n LEU 34 N -2.32 0.62 -0.15 3.06 4.77 -0.70 -4.97 117.00 117.31 2k35 n LEU 34 Ca 0.01 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 2k35 n LEU 34 Cb 0.20 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 2k35 n LEU 34 CO 0.18 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 2k35 n GLY 35 N 1.42 0.58 3.54 -0.72 0.00 -0.29 -5.10 105.19 104.62 2k35 n GLY 35 Ca 0.04 -0.08 -0.25 0.00 0.00 0.00 0.00 46.02 45.72 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 0.02 1.81 -0.01 1.61 1.81 -0.82 -5.01 118.95 118.36 2k35 s ARG 36 Ca 0.00 -1.98 -0.01 0.00 -1.72 0.00 0.00 55.73 52.02 2k35 s ARG 36 Cb 0.00 -1.48 -0.00 0.00 -0.45 0.00 0.00 34.95 33.02 2k35 s ARG 36 CO 0.00 0.00 -0.02 1.63 -0.68 0.00 0.00 175.30 176.23 2k35 n LYS 37 N -0.82 0.04 -4.17 3.54 5.02 -1.20 -4.52 118.16 116.05 2k35 n LYS 37 Ca -0.05 0.22 -0.11 0.00 -2.02 0.00 0.00 58.31 56.36 2k35 n LYS 37 Cb 0.65 -0.77 -0.10 0.00 -0.02 0.00 0.00 35.03 34.79 2k35 n LYS 37 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2k35 s ARG 38 N -1.11 0.83 -0.14 1.97 1.70 -1.06 -4.93 118.95 116.22 2k35 s ARG 38 Ca -0.01 -1.32 -0.00 0.00 -0.47 0.00 0.00 55.73 53.93 2k35 s ARG 38 Cb 0.00 -0.21 -0.01 0.00 -0.57 0.00 0.00 34.95 34.16 2k35 s ARG 38 CO 0.02 -0.02 -0.13 0.20 -1.08 0.00 0.00 175.30 174.29 2k35 s GLY 39 N -3.00 1.53 0.17 3.88 0.00 -1.26 -0.18 107.32 108.46 2k35 s GLY 39 Ca 0.11 -0.93 0.11 0.00 0.00 0.00 0.00 44.72 44.01 2k35 s GLY 39 CO -0.05 -0.13 -0.24 1.20 0.00 0.00 0.00 173.10 173.89 2k35 s GLN 40 N 0.48 1.42 -0.22 2.90 -1.52 -0.04 -4.87 119.66 117.82 2k35 s GLN 40 Ca -0.09 -1.44 -0.24 0.00 -1.95 0.00 0.00 55.36 51.64 2k35 s GLN 40 Cb -0.16 -1.75 -0.01 0.00 -0.22 0.00 0.00 33.01 30.87 2k35 s GLN 40 CO 0.04 0.39 0.78 0.00 -0.25 0.00 0.00 175.29 176.25 2k35 s GLU 42 N 2.47 0.46 -1.30 0.00 0.41 -0.09 -4.94 118.70 115.71 2k35 s GLU 42 Ca 0.34 -0.35 -0.18 0.00 -0.41 0.00 0.00 54.97 54.37 2k35 s GLU 42 Cb -0.16 -0.38 0.06 0.00 -1.78 0.00 0.00 34.13 31.87 2k35 s GLU 42 CO 0.09 0.10 1.79 0.39 -0.49 0.00 0.00 175.26 177.14 2k35 n GLU 43 N 2.53 3.08 -3.72 1.61 4.71 -1.26 -0.55 120.64 127.04 2k35 n GLU 43 Ca -0.16 -3.18 -0.30 0.00 -0.01 0.00 0.00 57.16 53.52 2k35 n GLU 43 Cb 0.57 -3.49 -0.15 0.00 -1.01 0.00 0.00 31.44 27.36 2k35 n GLU 43 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 2k35 s LYS 44 N 4.27 0.75 0.00 3.49 -0.14 -0.57 -4.93 119.74 122.61 2k35 s LYS 44 Ca 0.54 -1.15 0.09 0.00 -1.36 0.00 0.00 55.97 54.09 2k35 s LYS 44 Cb 0.05 -1.99 0.50 0.00 -1.68 0.00 0.00 37.83 34.71 2k35 s LYS 44 CO 0.07 -1.01 1.11 -2.30 -0.76 0.00 0.00 175.35 172.46 2k35 n PRO 45 N 4.72 0.20 0.24 -1.68 -0.02 -1.25 -2.87 135.00 134.34 2k35 n PRO 45 Ca -0.01 0.12 0.08 0.00 -2.02 0.00 0.00 63.50 61.67 2k35 n PRO 45 Cb 0.41 -1.50 0.59 0.00 -0.02 0.00 0.00 33.50 32.98 2k35 n PRO 45 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2k35 h SER 46 N 0.00 0.00 -0.08 2.55 0.02 -1.94 -2.29 113.55 111.81 2k35 h SER 46 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2k35 h SER 46 Cb 0.05 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 2k35 h SER 46 CO 0.00 0.15 -0.05 0.54 -1.14 0.00 0.00 176.83 176.33 2k35 n ARG 47 N -4.12 1.75 -4.07 3.45 1.74 -1.14 -4.97 116.66 109.30 2k35 n ARG 47 Ca -0.02 -2.74 -0.33 0.00 -0.77 0.00 0.00 57.85 53.98 2k35 n ARG 47 Cb 0.23 -1.61 -0.15 0.00 -1.02 0.00 0.00 32.46 29.90 2k35 n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2k35 h PRO 49 N 7.95 0.37 -4.86 0.00 0.11 -1.88 -3.41 132.00 130.27 2k35 h PRO 49 Ca -0.40 -0.10 -0.65 0.00 0.11 0.00 0.00 66.00 64.96 2k35 h PRO 49 Cb 1.13 -0.04 -0.17 0.00 0.11 0.00 0.00 31.00 32.02 2k35 h PRO 49 CO 0.60 0.53 -0.51 -0.51 -0.21 0.00 0.00 178.00 177.90 2k35 s LEU 50 N -8.76 4.12 0.60 2.35 1.43 -1.26 -4.96 118.68 112.20 2k35 s LEU 50 Ca -0.06 -0.10 0.37 0.00 -1.03 0.00 0.00 54.13 53.31 2k35 s LEU 50 Cb 0.15 -2.12 1.86 0.00 0.03 0.00 0.00 46.19 46.11 2k35 s LEU 50 CO 0.76 -0.09 2.18 0.28 0.23 0.00 0.00 176.35 179.71 2k35 h SER 51 N 8.39 0.00 -0.73 2.29 0.02 -1.95 -2.54 113.55 119.03 2k35 h SER 51 Ca -0.34 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.12 2k35 h SER 51 Cb 1.18 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.51 2k35 h SER 51 CO 0.57 0.03 0.63 1.17 -1.14 0.00 0.00 176.83 178.09 2k35 n LYS 52 N -3.25 2.21 0.04 3.45 0.00 -1.26 -4.35 118.16 115.00 2k35 n LYS 52 Ca -0.02 -2.39 0.00 0.00 0.00 0.00 0.00 58.31 55.90 2k35 n LYS 52 Cb 0.18 -1.94 0.00 0.00 0.00 0.00 0.00 35.03 33.27 2k35 n LYS 52 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2k35 n LYS 53 N -0.32 0.00 0.00 1.64 4.76 -0.96 -4.75 118.16 118.53 2k35 n LYS 53 Ca 0.46 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.90 2k35 n LYS 53 Cb 0.70 -0.04 0.00 0.00 -1.84 0.00 0.00 35.03 33.85 2k35 n LYS 53 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2k35 n ALA 54 N -2.83 0.00 -1.90 7.82 0.00 -1.25 -4.45 120.51 117.89 2k35 n ALA 54 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 2k35 n ALA 54 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2k35 n ALA 54 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2k35 s TRP 55 N 0.00 1.54 0.35 0.00 0.51 -1.15 -1.50 118.94 118.69 2k35 s TRP 55 Ca 0.00 0.91 0.08 0.00 -2.12 0.00 0.00 56.10 54.97 2k35 s TRP 55 Cb 0.00 -3.98 -0.05 0.00 -0.81 0.00 0.00 33.47 28.64 2k35 s TRP 55 CO 0.00 -2.60 0.12 -0.08 -0.51 0.00 0.00 176.95 173.89 2k35 s THR 56 N 9.20 2.84 -0.46 2.01 -1.32 0.29 -1.32 115.64 126.88 2k35 s THR 56 Ca 0.78 -1.75 -0.16 0.00 -1.21 0.00 0.00 61.69 59.35 2k35 s THR 56 Cb -0.17 -2.94 0.05 0.00 -1.51 0.00 0.00 72.50 67.93 2k35 s THR 56 CO 0.26 -0.16 0.43 0.00 -2.21 0.00 0.00 174.62 172.94 2k35 s ILE 58 N 1.92 4.37 -0.28 0.00 -1.09 0.22 -0.19 121.20 126.14 2k35 s ILE 58 Ca 0.08 0.04 -0.17 0.00 -2.23 0.00 0.00 60.65 58.37 2k35 s ILE 58 Cb -0.21 -4.58 -0.03 0.00 -1.58 0.00 0.00 42.46 36.06 2k35 s ILE 58 CO 0.09 -1.23 0.46 0.00 -1.23 0.00 0.00 174.94 173.03