#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 1.28 -0.03 -0.39 -1.09 -1.26 -4.96 121.20 114.74 2k35 s ILE 2 Ca 0.00 -0.58 -0.02 0.00 -2.23 0.00 0.00 60.65 57.82 2k35 s ILE 2 Cb 0.00 -1.14 0.01 0.00 -1.58 0.00 0.00 42.46 39.75 2k35 s ILE 2 CO 0.00 0.38 0.03 0.52 -1.23 0.00 0.00 174.94 174.64 2k35 n VAL 3 N 3.61 -4.23 -3.37 2.92 0.31 -1.26 -3.47 118.33 112.84 2k35 n VAL 3 Ca -0.21 0.37 -0.10 0.00 -0.01 0.00 0.00 64.34 64.38 2k35 n VAL 3 Cb 0.52 -3.99 -0.09 0.00 -0.91 0.00 0.00 33.84 29.37 2k35 n VAL 3 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2k35 s ASP 4 N -0.11 0.40 0.24 4.52 2.15 -1.25 -4.39 116.67 118.23 2k35 s ASP 4 Ca -0.03 0.15 -0.16 0.00 0.43 0.00 0.00 52.55 52.94 2k35 s ASP 4 Cb 0.00 1.02 0.01 0.00 -0.30 0.00 0.00 42.92 43.65 2k35 s ASP 4 CO 0.11 -0.30 0.54 0.00 -0.17 0.00 0.00 175.17 175.35 2k35 s TRP 6 N -3.97 1.82 0.00 0.00 -0.00 -0.58 -4.06 118.94 112.15 2k35 s TRP 6 Ca 0.17 -0.64 0.00 0.00 -0.00 0.00 0.00 56.10 55.63 2k35 s TRP 6 Cb -0.02 -2.23 0.00 0.00 -0.00 0.00 0.00 33.47 31.22 2k35 s TRP 6 CO 0.06 -0.88 0.00 -1.91 -0.00 0.00 0.00 176.95 174.23 2k35 n GLU 7 N -2.08 0.00 -3.71 5.86 4.07 -1.26 -4.70 120.64 118.82 2k35 n GLU 7 Ca 0.12 0.00 -0.10 0.00 -0.06 0.00 0.00 57.16 57.12 2k35 n GLU 7 Cb 0.61 0.00 0.01 0.00 -0.06 0.00 0.00 31.44 32.01 2k35 n GLU 7 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 2k35 n THR 8 N 0.00 0.00 -0.20 6.31 -2.24 -1.26 -4.99 114.28 111.91 2k35 n THR 8 Ca 0.00 -1.13 -0.10 0.00 -2.27 0.00 0.00 64.05 60.56 2k35 n THR 8 Cb 0.00 0.97 0.02 0.00 -2.10 0.00 0.00 70.33 69.22 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 1.95 1.14 0.00 4.78 7.01 -2.00 -1.50 115.95 127.33 2k35 h TRP 9 Ca -0.31 -0.22 -0.02 0.00 2.11 0.00 0.00 58.89 60.46 2k35 h TRP 9 Cb 1.18 -0.29 -0.00 0.00 -2.10 0.00 0.00 29.16 27.94 2k35 h TRP 9 CO 0.00 1.03 -0.08 0.77 -2.79 0.00 0.00 178.44 177.37 2k35 h SER 10 N 0.91 0.00 1.12 2.65 0.02 -1.96 -2.05 113.55 114.24 2k35 h SER 10 Ca 0.15 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.92 2k35 h SER 10 Cb 0.61 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.13 2k35 h SER 10 CO 0.04 0.08 -0.89 0.03 -1.14 0.00 0.00 176.83 174.95 2k35 h ARG 11 N 0.00 0.00 -0.44 3.45 -0.00 -1.54 -0.66 114.38 115.19 2k35 h ARG 11 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 2k35 h ARG 11 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.47 2k35 h ARG 11 CO 0.01 0.80 0.00 0.00 0.00 0.00 0.00 179.97 180.78 2k35 n THR 13 N 0.08 0.17 0.00 0.00 -2.24 -1.18 -4.85 114.28 106.25 2k35 n THR 13 Ca 0.06 0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 2k35 n THR 13 Cb 0.27 -0.66 0.00 0.00 -2.10 0.00 0.00 70.33 67.84 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 -3.38 0.00 -2.02 -0.78 4.76 -0.26 -1.89 118.16 114.58 2k35 n LYS 14 Ca 0.00 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.15 2k35 n LYS 14 Cb 0.01 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.15 2k35 n LYS 14 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 2k35 s TRP 15 N 0.01 1.74 -0.32 2.13 0.51 -1.19 -4.11 118.94 117.72 2k35 s TRP 15 Ca 0.00 0.73 -0.06 0.00 -2.12 0.00 0.00 56.10 54.64 2k35 s TRP 15 Cb 0.00 -4.03 -0.22 0.00 -0.81 0.00 0.00 33.47 28.41 2k35 s TRP 15 CO 0.00 -1.88 3.36 0.43 -0.51 0.00 0.00 176.95 178.35 2k35 n SER 16 N 13.90 5.68 0.00 2.95 7.64 -1.22 -4.07 113.62 138.50 2k35 n SER 16 Ca 0.36 -2.46 0.00 0.00 1.01 0.00 0.00 58.87 57.78 2k35 n SER 16 Cb 0.48 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.30 2k35 n SER 16 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2k35 n GLN 17 N 2.75 0.00 0.00 1.43 -0.06 -1.26 -1.52 117.38 118.72 2k35 n GLN 17 Ca 0.48 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.48 2k35 n GLN 17 Cb 0.74 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.92 2k35 n GLN 17 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2k35 n GLY 18 N -0.38 -1.32 2.53 1.69 0.00 -1.26 -4.08 105.19 102.36 2k35 n GLY 18 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 0.58 5.05 7.00 -0.02 0.00 -1.26 -4.98 105.19 111.55 2k35 n GLY 19 Ca 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.01 2k35 n GLY 19 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k35 n THR 20 N 2.20 0.00 0.00 2.61 -2.24 -1.26 -5.00 114.28 110.59 2k35 n THR 20 Ca 0.60 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.38 2k35 n THR 20 Cb 0.27 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 2k35 n THR 20 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k35 n GLY 21 N 0.00 -1.45 0.05 3.38 0.00 -1.26 -4.62 105.19 101.29 2k35 n GLY 21 Ca 0.00 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.60 2k35 n GLY 21 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2k35 n THR 22 N -0.25 0.00 -2.73 2.61 5.66 -1.26 -5.00 114.28 113.31 2k35 n THR 22 Ca 0.00 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 60.97 2k35 n THR 22 Cb 0.00 0.00 0.05 0.00 -1.55 0.00 0.00 70.33 68.83 2k35 n THR 22 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2k35 n LEU 23 N -1.01 2.01 0.15 1.09 4.77 -1.23 -4.95 117.00 117.82 2k35 n LEU 23 Ca 0.00 -3.26 -0.06 0.00 -0.03 0.00 0.00 56.01 52.66 2k35 n LEU 23 Cb 0.00 0.37 -0.03 0.00 -2.33 0.00 0.00 43.42 41.43 2k35 n LEU 23 CO 0.00 1.18 0.51 4.11 -1.33 0.00 0.00 177.39 181.86 2k35 h TRP 24 N 2.56 -0.41 0.00 -1.77 5.08 -1.77 -3.41 115.95 116.24 2k35 h TRP 24 Ca -0.07 -0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.89 2k35 h TRP 24 Cb 1.30 0.14 0.00 0.00 -3.00 0.00 0.00 29.16 27.61 2k35 h TRP 24 CO 0.55 -0.24 0.00 1.63 -1.28 0.00 0.00 178.44 179.10 2k35 n LYS 25 N -3.19 0.00 -3.61 0.12 5.02 -1.26 -4.48 118.16 110.76 2k35 n LYS 25 Ca -0.05 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.09 2k35 n LYS 25 Cb 0.16 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.10 2k35 n LYS 25 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2k35 s SER 26 N -4.00 -0.67 0.27 4.39 0.01 -1.26 -4.35 113.70 108.10 2k35 s SER 26 Ca 0.00 1.10 -0.01 0.00 1.31 0.00 0.00 55.95 58.35 2k35 s SER 26 Cb 0.00 1.06 0.48 0.00 0.21 0.00 0.00 66.02 67.77 2k35 s SER 26 CO 0.00 -0.37 1.85 0.00 0.41 0.00 0.00 173.24 175.14 2k35 h ASN 28 N 1.07 0.06 -0.40 0.00 -0.73 -1.87 -1.57 115.58 112.13 2k35 h ASN 28 Ca 0.46 0.00 -0.10 0.00 1.87 0.00 0.00 56.30 58.54 2k35 h ASN 28 Cb 0.34 -0.01 -0.02 0.00 0.27 0.00 0.00 38.32 38.90 2k35 h ASN 28 CO -0.22 0.05 -0.10 -0.78 -0.37 0.00 0.00 177.43 176.01 2k35 h ASP 29 N 0.09 0.84 0.25 1.15 3.58 -1.80 -1.66 116.42 118.87 2k35 h ASP 29 Ca 0.04 -0.25 -0.03 0.00 0.42 0.00 0.00 57.03 57.20 2k35 h ASP 29 Cb 0.01 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 40.83 2k35 h ASP 29 CO -0.03 0.96 -0.16 0.03 -2.88 0.00 0.00 179.24 177.16 2k35 h ARG 30 N 0.76 0.00 0.00 0.28 3.08 -0.68 -1.72 114.38 116.10 2k35 h ARG 30 Ca 0.13 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.02 2k35 h ARG 30 Cb 0.60 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.62 2k35 h ARG 30 CO 0.04 0.16 -1.07 0.00 -1.07 0.00 0.00 179.97 178.03 2k35 h LYS 32 N 0.00 0.62 0.00 0.00 1.57 -0.48 0.60 116.57 118.88 2k35 h LYS 32 Ca -0.10 -0.41 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 2k35 h LYS 32 Cb 1.55 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.92 2k35 h LYS 32 CO 0.06 1.03 0.00 -0.85 -0.57 0.00 0.00 179.45 179.12 2k35 n GLU 33 N -3.95 0.11 0.00 3.15 0.28 -0.74 -2.32 120.64 117.18 2k35 n GLU 33 Ca -0.04 0.07 0.11 0.00 -0.16 0.00 0.00 57.16 57.14 2k35 n GLU 33 Cb 0.64 -1.50 -0.09 0.00 1.43 0.00 0.00 31.44 31.91 2k35 n GLU 33 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 2k35 n LEU 34 N -1.44 0.64 -0.30 -1.84 7.94 -0.96 -4.87 117.00 116.17 2k35 n LEU 34 Ca 0.08 -0.26 0.00 0.00 -1.11 0.00 0.00 56.01 54.72 2k35 n LEU 34 Cb 0.26 -0.03 0.00 0.00 0.53 0.00 0.00 43.42 44.18 2k35 n LEU 34 CO 0.22 0.14 0.00 0.61 -1.11 0.00 0.00 177.39 177.24 2k35 n GLY 35 N 1.41 0.96 2.34 -3.96 0.00 -0.79 -5.08 105.19 100.07 2k35 n GLY 35 Ca 0.01 -0.49 -0.20 0.00 0.00 0.00 0.00 46.02 45.35 2k35 n GLY 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k35 n ARG 36 N -0.42 1.10 -0.07 1.61 5.12 0.13 -5.03 116.66 119.10 2k35 n ARG 36 Ca 0.00 -2.39 -0.05 0.00 -1.93 0.00 0.00 57.85 53.48 2k35 n ARG 36 Cb 0.34 0.77 -0.02 0.00 -1.16 0.00 0.00 32.46 32.39 2k35 n ARG 36 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2k35 n LYS 37 N -0.78 0.44 -4.22 5.56 4.76 -1.26 -4.46 118.16 118.19 2k35 n LYS 37 Ca -0.12 0.43 -0.17 0.00 -2.87 0.00 0.00 58.31 55.58 2k35 n LYS 37 Cb 0.42 -1.56 -0.07 0.00 -1.84 0.00 0.00 35.03 31.97 2k35 n LYS 37 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 2k35 s ARG 38 N -2.32 1.75 -0.04 1.97 1.70 -1.26 -4.83 118.95 115.93 2k35 s ARG 38 Ca -0.17 -1.91 0.00 0.00 -0.47 0.00 0.00 55.73 53.18 2k35 s ARG 38 Cb 0.02 0.35 0.03 0.00 -0.57 0.00 0.00 34.95 34.78 2k35 s ARG 38 CO 0.26 -0.67 -0.00 0.20 -1.08 0.00 0.00 175.30 174.00 2k35 s GLY 39 N -3.32 0.29 0.01 3.88 0.00 -1.26 -0.26 107.32 106.66 2k35 s GLY 39 Ca 0.38 0.10 0.07 0.00 0.00 0.00 0.00 44.72 45.27 2k35 s GLY 39 CO 0.24 0.67 -0.21 -0.86 0.00 0.00 0.00 173.10 172.94 2k35 s GLN 40 N 1.15 1.56 -0.62 2.90 0.00 0.09 -4.78 119.66 119.96 2k35 s GLN 40 Ca -0.08 -0.82 -0.26 0.00 -0.00 0.00 0.00 55.36 54.19 2k35 s GLN 40 Cb -0.13 -1.58 -0.04 0.00 0.00 0.00 0.00 33.01 31.26 2k35 s GLN 40 CO -0.02 0.42 2.02 0.00 0.00 0.00 0.00 175.29 177.71 2k35 s GLU 42 N 7.40 2.46 -1.18 0.00 0.41 0.90 -4.80 118.70 123.89 2k35 s GLU 42 Ca 0.76 -1.44 -0.19 0.00 -0.41 0.00 0.00 54.97 53.68 2k35 s GLU 42 Cb -0.13 -2.25 0.08 0.00 -1.78 0.00 0.00 34.13 30.05 2k35 s GLU 42 CO 0.20 0.18 1.57 -2.00 -0.49 0.00 0.00 175.26 174.72 2k35 s GLU 43 N -3.84 3.86 -0.40 1.61 2.12 -1.26 -0.65 118.70 120.15 2k35 s GLU 43 Ca 0.37 -1.82 0.01 0.00 0.36 0.00 0.00 54.97 53.89 2k35 s GLU 43 Cb -0.04 -5.38 0.14 0.00 0.26 0.00 0.00 34.13 29.11 2k35 s GLU 43 CO 0.23 -2.14 0.23 0.21 -0.54 0.00 0.00 175.26 173.25 2k35 s LYS 44 N 3.95 0.96 0.00 4.30 2.20 -0.96 -4.99 119.74 125.20 2k35 s LYS 44 Ca 0.49 -1.71 0.00 0.00 -0.36 0.00 0.00 55.97 54.39 2k35 s LYS 44 Cb 0.01 -1.87 0.00 0.00 -1.51 0.00 0.00 37.83 34.47 2k35 s LYS 44 CO 0.01 -1.19 0.75 -0.35 -0.36 0.00 0.00 175.35 174.21 2k35 n PRO 45 N 3.75 0.79 0.16 4.03 -0.04 -1.23 -3.92 135.00 138.54 2k35 n PRO 45 Ca 0.10 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.60 2k35 n PRO 45 Cb 0.36 -1.13 0.17 0.00 -0.04 0.00 0.00 33.50 32.85 2k35 n PRO 45 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2k35 h SER 46 N 0.41 0.00 0.00 3.54 0.02 -1.94 -3.28 113.55 112.30 2k35 h SER 46 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2k35 h SER 46 Cb 0.75 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.24 2k35 h SER 46 CO 0.00 0.47 -0.35 -2.11 -1.14 0.00 0.00 176.83 173.70 2k35 n ARG 47 N -3.38 0.84 -4.74 3.45 1.85 -1.25 -5.03 116.66 108.41 2k35 n ARG 47 Ca 0.01 -2.22 -0.31 0.00 -1.00 0.00 0.00 57.85 54.33 2k35 n ARG 47 Cb 0.64 -1.08 -0.17 0.00 -1.05 0.00 0.00 32.46 30.81 2k35 n ARG 47 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2k35 n PRO 49 N 3.95 1.63 -5.11 0.00 -0.04 -1.26 -4.83 135.00 129.35 2k35 n PRO 49 Ca -0.20 -0.96 -0.29 0.00 -0.04 0.00 0.00 63.50 62.01 2k35 n PRO 49 Cb 0.52 -1.34 -0.16 0.00 -0.04 0.00 0.00 33.50 32.48 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 -1.42 2.02 -0.12 1.53 1.43 -1.26 -5.05 118.68 115.81 2k35 s LEU 50 Ca 0.28 -0.43 -0.28 0.00 -1.03 0.00 0.00 54.13 52.67 2k35 s LEU 50 Cb 0.15 -1.20 -0.24 0.00 0.03 0.00 0.00 46.19 44.93 2k35 s LEU 50 CO 0.22 0.23 0.83 0.28 0.23 0.00 0.00 176.35 178.15 2k35 h SER 51 N 5.93 -0.00 -0.00 2.29 0.02 -1.99 -3.07 113.55 116.73 2k35 h SER 51 Ca -0.35 -0.89 -0.02 0.00 -0.84 0.00 0.00 61.79 59.70 2k35 h SER 51 Cb 1.16 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.69 2k35 h SER 51 CO 0.47 0.90 -0.03 0.11 -1.14 0.00 0.00 176.83 177.14 2k35 h LYS 52 N -0.92 0.10 -1.59 3.45 1.57 -2.00 -2.71 116.57 114.46 2k35 h LYS 52 Ca -0.00 -0.01 -0.65 0.00 -1.87 0.00 0.00 60.65 58.12 2k35 h LYS 52 Cb 0.89 -0.02 -0.37 0.00 0.08 0.00 0.00 32.23 32.81 2k35 h LYS 52 CO 0.00 0.14 -0.08 1.63 -0.57 0.00 0.00 179.45 180.57 2k35 n LYS 53 N -4.44 3.19 -0.23 3.15 4.01 -1.25 -4.76 118.16 117.83 2k35 n LYS 53 Ca -0.02 -4.11 0.03 0.00 -0.51 0.00 0.00 58.31 53.70 2k35 n LYS 53 Cb 0.15 -2.26 0.13 0.00 -0.51 0.00 0.00 35.03 32.53 2k35 n LYS 53 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2k35 n ALA 54 N -0.54 2.75 -2.61 7.82 0.00 -1.02 -3.00 120.51 123.90 2k35 n ALA 54 Ca 0.45 -0.56 -0.42 0.00 0.00 0.00 0.00 53.44 52.92 2k35 n ALA 54 Cb 0.54 -1.02 -0.05 0.00 0.00 0.00 0.00 19.45 18.93 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 -1.63 3.21 0.16 0.00 0.51 -1.26 -2.26 118.94 117.67 2k35 s TRP 55 Ca 0.18 0.81 0.10 0.00 -2.12 0.00 0.00 56.10 55.07 2k35 s TRP 55 Cb 0.12 -3.17 -0.04 0.00 -0.81 0.00 0.00 33.47 29.56 2k35 s TRP 55 CO 0.08 -0.54 -0.18 0.95 -0.51 0.00 0.00 176.95 176.75 2k35 s THR 56 N 2.90 2.73 -1.15 2.01 -4.23 0.18 -1.53 115.64 116.54 2k35 s THR 56 Ca 0.32 -1.75 -0.21 0.00 -1.18 0.00 0.00 61.69 58.87 2k35 s THR 56 Cb -0.14 -2.30 0.03 0.00 1.34 0.00 0.00 72.50 71.43 2k35 s THR 56 CO 0.12 -0.03 1.68 0.00 -0.54 0.00 0.00 174.62 175.85 2k35 s ILE 58 N 5.87 3.79 0.31 0.00 -1.09 0.93 -4.50 121.20 126.51 2k35 s ILE 58 Ca 0.55 1.24 -0.27 0.00 -2.23 0.00 0.00 60.65 59.93 2k35 s ILE 58 Cb 0.01 -3.80 -0.10 0.00 -1.58 0.00 0.00 42.46 37.00 2k35 s ILE 58 CO 0.02 0.05 0.96 0.00 -1.23 0.00 0.00 174.94 174.74