#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 4.12 -0.09 1.69 -1.09 -1.26 -4.49 121.20 120.07 2k35 s ILE 2 Ca 0.00 0.10 -0.01 0.00 -2.23 0.00 0.00 60.65 58.51 2k35 s ILE 2 Cb 0.00 -4.73 0.00 0.00 -1.58 0.00 0.00 42.46 36.15 2k35 s ILE 2 CO 0.00 -1.51 0.02 0.52 -1.23 0.00 0.00 174.94 172.74 2k35 n VAL 3 N 6.18 -5.43 -3.65 2.92 0.31 -1.26 -5.00 118.33 112.39 2k35 n VAL 3 Ca 0.00 0.66 -0.07 0.00 -0.01 0.00 0.00 64.34 64.92 2k35 n VAL 3 Cb 0.47 -4.85 -0.07 0.00 -0.91 0.00 0.00 33.84 28.47 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 -0.46 -0.89 -0.30 4.52 2.15 -1.26 -3.68 116.67 116.75 2k35 s ASP 4 Ca -0.02 1.42 -0.09 0.00 0.43 0.00 0.00 52.55 54.29 2k35 s ASP 4 Cb 0.00 1.35 0.15 0.00 -0.30 0.00 0.00 42.92 44.13 2k35 s ASP 4 CO 0.25 -0.23 0.73 0.00 -0.17 0.00 0.00 175.17 175.75 2k35 n TRP 6 N 5.35 0.00 0.00 0.00 7.02 0.11 -4.32 117.44 125.61 2k35 n TRP 6 Ca -0.08 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.40 2k35 n TRP 6 Cb 0.50 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.39 2k35 n TRP 6 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 2k35 n GLU 7 N 0.00 0.00 -3.50 -0.99 2.13 -1.26 -2.22 120.64 114.80 2k35 n GLU 7 Ca 0.00 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.46 2k35 n GLU 7 Cb 0.00 -0.47 -0.06 0.00 0.27 0.00 0.00 31.44 31.19 2k35 n GLU 7 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2k35 s THR 8 N -1.94 5.01 0.25 6.31 2.01 -1.26 -4.82 115.64 121.21 2k35 s THR 8 Ca 0.00 0.64 -0.03 0.00 0.31 0.00 0.00 61.69 62.61 2k35 s THR 8 Cb 0.00 -3.69 0.22 0.00 0.01 0.00 0.00 72.50 69.05 2k35 s THR 8 CO 0.00 0.34 1.74 -0.25 -0.69 0.00 0.00 174.62 175.75 2k35 h TRP 9 N 3.88 0.57 0.00 4.92 2.91 -1.97 0.05 115.95 126.31 2k35 h TRP 9 Ca -0.49 0.04 -0.03 0.00 1.13 0.00 0.00 58.89 59.53 2k35 h TRP 9 Cb 1.20 -0.14 -0.00 0.00 -0.51 0.00 0.00 29.16 29.71 2k35 h TRP 9 CO 0.67 0.09 -0.15 0.66 -1.03 0.00 0.00 178.44 178.68 2k35 h SER 10 N 0.48 0.00 0.03 2.65 4.64 -1.99 -2.92 113.55 116.45 2k35 h SER 10 Ca 0.43 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.74 2k35 h SER 10 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 2k35 h SER 10 CO -0.39 0.15 -0.01 0.03 -0.87 0.00 0.00 176.83 175.74 2k35 h ARG 11 N 0.00 -0.04 0.00 4.77 -0.00 -1.38 -2.92 114.38 114.81 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 0.46 0.01 0.00 0.00 0.00 0.00 0.00 29.97 30.44 2k35 h ARG 11 CO 0.02 0.61 0.00 0.00 0.00 0.00 0.00 179.97 180.60 2k35 h THR 13 N 0.00 0.69 0.00 0.00 1.35 -1.56 -3.36 112.91 110.02 2k35 h THR 13 Ca 0.00 -2.21 -0.39 0.00 -0.55 0.00 0.00 66.41 63.26 2k35 h THR 13 Cb 0.41 2.20 -0.07 0.00 -1.73 0.00 0.00 68.15 68.96 2k35 h THR 13 CO 0.00 0.39 -2.46 0.29 -0.25 0.00 0.00 175.52 173.49 2k35 n LYS 14 N -3.00 0.66 -3.83 4.72 5.02 -1.01 -0.72 118.16 119.99 2k35 n LYS 14 Ca -0.08 0.12 -0.22 0.00 -2.02 0.00 0.00 58.31 56.11 2k35 n LYS 14 Cb 0.85 -1.52 -0.05 0.00 -0.02 0.00 0.00 35.03 34.29 2k35 n LYS 14 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 2k35 n TRP 15 N -3.17 0.78 -3.46 2.13 8.01 0.82 -3.18 117.44 119.36 2k35 n TRP 15 Ca -0.44 -1.72 -0.11 0.00 -1.31 0.00 0.00 57.50 53.92 2k35 n TRP 15 Cb 1.02 -0.22 -0.02 0.00 -2.01 0.00 0.00 31.31 30.08 2k35 n TRP 15 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.69 175.56 2k35 s SER 16 N -2.91 -0.48 0.05 -0.99 0.01 -1.26 -4.36 113.70 103.75 2k35 s SER 16 Ca 0.01 0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.31 2k35 s SER 16 Cb 0.00 0.50 0.00 0.00 0.21 0.00 0.00 66.02 66.73 2k35 s SER 16 CO 0.00 -0.79 0.00 0.00 0.41 0.00 0.00 173.24 172.86 2k35 n GLN 17 N -0.24 -0.60 -1.90 12.44 6.02 -1.24 -3.97 117.38 127.90 2k35 n GLN 17 Ca -0.14 0.43 -0.43 0.00 -0.01 0.00 0.00 57.00 56.86 2k35 n GLN 17 Cb 0.63 -0.48 -0.03 0.00 1.02 0.00 0.00 30.24 31.38 2k35 n GLN 17 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2k35 s GLY 18 N -1.41 1.18 0.00 1.08 0.00 -1.26 -0.98 107.32 105.93 2k35 s GLY 18 Ca 0.00 0.79 0.00 0.00 0.00 0.00 0.00 44.72 45.51 2k35 s GLY 18 CO 0.00 3.27 0.00 0.61 0.00 0.00 0.00 173.10 176.98 2k35 n GLY 19 N 4.77 0.39 2.26 0.20 0.00 -1.26 -4.74 105.19 106.81 2k35 n GLY 19 Ca 0.21 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.19 2k35 n GLY 19 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2k35 n THR 20 N -2.00 -9.75 0.00 2.61 -1.04 -0.15 -5.08 114.28 98.87 2k35 n THR 20 Ca 0.00 1.84 0.00 0.00 -2.04 0.00 0.00 64.05 63.85 2k35 n THR 20 Cb 0.00 -5.68 0.00 0.00 -1.82 0.00 0.00 70.33 62.83 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 1.08 0.73 0.00 3.41 0.00 -1.25 -5.03 105.19 104.12 2k35 n GLY 21 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 0.02 -2.73 2.61 5.66 -1.26 -4.89 114.28 113.69 2k35 n THR 22 Ca 0.00 -0.05 -0.27 0.00 -3.05 0.00 0.00 64.05 60.68 2k35 n THR 22 Cb 0.00 1.64 -0.02 0.00 -1.55 0.00 0.00 70.33 70.40 2k35 n THR 22 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 2k35 n LEU 23 N -0.01 4.55 -0.03 1.09 7.94 -1.26 -4.81 117.00 124.47 2k35 n LEU 23 Ca 0.00 -5.46 -0.02 0.00 -1.11 0.00 0.00 56.01 49.42 2k35 n LEU 23 Cb 0.30 -0.50 -0.01 0.00 0.53 0.00 0.00 43.42 43.75 2k35 n LEU 23 CO 0.00 2.30 -0.17 -2.67 -1.11 0.00 0.00 177.39 175.74 2k35 n TRP 24 N -0.35 0.36 -1.50 1.96 4.27 -1.26 -4.85 117.44 116.07 2k35 n TRP 24 Ca 0.34 0.16 -0.17 0.00 -3.89 0.00 0.00 57.50 53.94 2k35 n TRP 24 Cb 0.52 -0.45 -0.07 0.00 -1.36 0.00 0.00 31.31 29.95 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 -3.29 -1.52 -1.03 -2.67 5.02 -1.26 -4.26 118.16 109.15 2k35 n LYS 25 Ca -0.03 1.11 0.13 0.00 -2.02 0.00 0.00 58.31 57.49 2k35 n LYS 25 Cb 0.13 -5.50 -0.05 0.00 -0.02 0.00 0.00 35.03 29.59 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 -1.27 -6.09 0.25 4.39 7.64 -1.19 -3.10 113.62 114.25 2k35 n SER 26 Ca -0.17 0.77 0.08 0.00 1.01 0.00 0.00 58.87 60.56 2k35 n SER 26 Cb 0.65 -3.35 0.62 0.00 -1.01 0.00 0.00 64.21 61.13 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 -0.38 0.54 0.00 -1.24 -1.81 -1.18 115.58 111.51 2k35 h ASN 28 Ca -0.00 0.02 -0.09 0.00 0.71 0.00 0.00 56.30 56.94 2k35 h ASN 28 Cb 0.07 0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.22 2k35 h ASN 28 CO 0.01 -0.21 -0.43 -0.78 -1.29 0.00 0.00 177.43 174.72 2k35 h ASP 29 N -0.34 0.00 0.49 1.15 3.58 -1.52 -0.98 116.42 118.80 2k35 h ASP 29 Ca -0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.42 2k35 h ASP 29 Cb 0.28 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.33 2k35 h ASP 29 CO 0.02 0.43 0.00 -0.09 -2.88 0.00 0.00 179.24 176.71 2k35 h ARG 30 N 0.00 0.00 0.00 0.28 9.65 -1.19 -1.61 114.38 121.51 2k35 h ARG 30 Ca -0.00 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 2k35 h ARG 30 Cb 0.82 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.39 2k35 h ARG 30 CO 0.06 0.00 -1.69 0.00 2.80 0.00 0.00 179.97 181.14 2k35 h LYS 32 N 0.00 0.00 0.00 0.00 1.57 -0.26 -1.92 116.57 115.96 2k35 h LYS 32 Ca -0.01 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2k35 h LYS 32 Cb 0.71 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.02 2k35 h LYS 32 CO 0.00 0.11 -0.04 1.05 -0.57 0.00 0.00 179.45 179.99 2k35 h GLU 33 N 0.00 0.00 -0.19 3.15 4.11 -1.61 -1.31 114.58 118.73 2k35 h GLU 33 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2k35 h GLU 33 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2k35 h GLU 33 CO 0.01 0.04 0.00 1.28 0.07 0.00 0.00 179.01 180.42 2k35 n LEU 34 N -3.44 2.46 -1.87 3.06 4.32 -1.00 -4.98 117.00 115.55 2k35 n LEU 34 Ca -0.02 -1.53 -0.10 0.00 -0.02 0.00 0.00 56.01 54.34 2k35 n LEU 34 Cb 0.16 -0.12 0.04 0.00 -1.62 0.00 0.00 43.42 41.87 2k35 n LEU 34 CO 0.26 0.56 0.10 0.61 -1.22 0.00 0.00 177.39 177.70 2k35 n GLY 35 N 0.57 0.27 3.81 -0.72 0.00 -0.50 -5.05 105.19 103.58 2k35 n GLY 35 Ca 0.09 -0.27 -0.22 0.00 0.00 0.00 0.00 46.02 45.63 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 -5.38 2.69 -0.12 1.61 1.81 -0.75 -5.01 118.95 113.79 2k35 s ARG 36 Ca 0.20 -1.28 -0.20 0.00 -1.72 0.00 0.00 55.73 52.73 2k35 s ARG 36 Cb -0.09 -2.43 -0.18 0.00 -0.45 0.00 0.00 34.95 31.80 2k35 s ARG 36 CO 0.31 0.19 0.56 0.87 -0.68 0.00 0.00 175.30 176.56 2k35 h LYS 37 N 1.40 -0.01 0.00 3.54 6.56 -1.86 -3.39 116.57 122.81 2k35 h LYS 37 Ca -0.45 0.00 -0.21 0.00 -1.06 0.00 0.00 60.65 58.93 2k35 h LYS 37 Cb 1.25 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 32.86 2k35 h LYS 37 CO 0.60 0.67 -0.12 2.89 -2.06 0.00 0.00 179.45 181.42 2k35 n ARG 38 N -4.68 0.47 -3.81 3.15 1.85 -1.26 -4.96 116.66 107.42 2k35 n ARG 38 Ca -0.07 -1.98 -0.12 0.00 -1.00 0.00 0.00 57.85 54.68 2k35 n ARG 38 Cb 0.33 1.87 -0.11 0.00 -1.05 0.00 0.00 32.46 33.50 2k35 n ARG 38 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 2k35 s GLY 39 N -2.52 -0.12 -0.08 2.89 0.00 -1.26 0.69 107.32 106.93 2k35 s GLY 39 Ca 0.21 0.42 0.03 0.00 0.00 0.00 0.00 44.72 45.39 2k35 s GLY 39 CO 0.15 0.32 -0.19 1.20 0.00 0.00 0.00 173.10 174.58 2k35 s GLN 40 N -0.34 2.39 -0.46 2.90 -1.52 -0.09 -4.79 119.66 117.75 2k35 s GLN 40 Ca -0.04 -0.67 -0.27 0.00 -1.95 0.00 0.00 55.36 52.42 2k35 s GLN 40 Cb -0.03 -1.88 -0.04 0.00 -0.22 0.00 0.00 33.01 30.84 2k35 s GLN 40 CO 0.01 0.13 2.07 0.00 -0.25 0.00 0.00 175.29 177.25 2k35 s GLU 42 N 7.05 2.41 -1.28 0.00 0.41 0.49 -4.82 118.70 122.97 2k35 s GLU 42 Ca 0.84 -1.37 -0.17 0.00 -0.41 0.00 0.00 54.97 53.86 2k35 s GLU 42 Cb -0.19 -2.23 0.09 0.00 -1.78 0.00 0.00 34.13 30.02 2k35 s GLU 42 CO 0.27 0.34 1.69 0.39 -0.49 0.00 0.00 175.26 177.46 2k35 n GLU 43 N -0.97 3.23 -3.96 1.61 1.02 -1.26 -1.76 120.64 118.55 2k35 n GLU 43 Ca -0.06 -3.39 -0.30 0.00 -0.02 0.00 0.00 57.16 53.38 2k35 n GLU 43 Cb 0.59 -3.39 -0.14 0.00 -0.02 0.00 0.00 31.44 28.48 2k35 n GLU 43 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2k35 s LYS 44 N 3.59 1.70 0.00 3.49 -0.14 -0.79 -4.94 119.74 122.64 2k35 s LYS 44 Ca 0.51 -2.25 0.17 0.00 -1.36 0.00 0.00 55.97 53.05 2k35 s LYS 44 Cb 0.03 -3.17 0.88 0.00 -1.68 0.00 0.00 37.83 33.89 2k35 s LYS 44 CO 0.06 -1.04 1.51 -0.35 -0.76 0.00 0.00 175.35 174.76 2k35 n PRO 45 N 3.63 0.27 0.13 -1.68 -0.04 -1.26 -3.04 135.00 133.01 2k35 n PRO 45 Ca 0.05 0.11 0.11 0.00 -0.04 0.00 0.00 63.50 63.73 2k35 n PRO 45 Cb 0.36 -1.50 0.50 0.00 -0.04 0.00 0.00 33.50 32.82 2k35 n PRO 45 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2k35 n SER 46 N -1.26 0.58 -0.46 3.54 7.64 -1.26 -2.18 113.62 120.22 2k35 n SER 46 Ca 0.09 0.68 0.03 0.00 1.01 0.00 0.00 58.87 60.67 2k35 n SER 46 Cb 0.13 -0.79 0.04 0.00 -1.01 0.00 0.00 64.21 62.58 2k35 n SER 46 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2k35 n ARG 47 N -2.18 0.32 -3.94 1.43 1.74 -1.17 -5.02 116.66 107.83 2k35 n ARG 47 Ca 0.01 -1.46 -0.34 0.00 -0.77 0.00 0.00 57.85 55.30 2k35 n ARG 47 Cb 0.16 -0.72 -0.14 0.00 -1.02 0.00 0.00 32.46 30.73 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 7.87 0.00 -3.37 0.00 0.13 -1.87 -3.21 132.00 131.54 2k35 h PRO 49 Ca -0.15 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 64.27 2k35 h PRO 49 Cb 1.04 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.83 2k35 h PRO 49 CO 0.55 0.00 -0.08 -0.51 -0.23 0.00 0.00 178.00 177.73 2k35 s LEU 50 N -6.13 5.60 0.60 1.56 1.43 -1.26 -4.91 118.68 115.58 2k35 s LEU 50 Ca -0.04 -3.61 0.33 0.00 -1.03 0.00 0.00 54.13 49.78 2k35 s LEU 50 Cb 0.13 -1.93 1.94 0.00 0.03 0.00 0.00 46.19 46.36 2k35 s LEU 50 CO 0.42 -0.22 2.28 0.28 0.23 0.00 0.00 176.35 179.34 2k35 h SER 51 N 6.19 0.00 0.34 2.29 0.02 -1.91 -0.50 113.55 119.99 2k35 h SER 51 Ca 0.14 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 2k35 h SER 51 Cb 0.84 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.37 2k35 h SER 51 CO 0.85 0.01 -0.09 0.11 -1.14 0.00 0.00 176.83 176.57 2k35 h LYS 52 N 0.00 0.00 0.00 3.45 1.79 -1.92 -3.25 116.57 116.64 2k35 h LYS 52 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2k35 h LYS 52 Cb 0.02 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.67 2k35 h LYS 52 CO 0.00 0.09 -0.89 1.63 -1.08 0.00 0.00 179.45 179.20 2k35 n LYS 53 N -3.56 0.47 -2.54 3.15 4.01 -0.38 -5.02 118.16 114.30 2k35 n LYS 53 Ca -0.02 0.19 -0.21 0.00 -0.51 0.00 0.00 58.31 57.77 2k35 n LYS 53 Cb 0.21 -1.34 0.00 0.00 -0.51 0.00 0.00 35.03 33.39 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 -4.25 -0.69 -3.45 7.82 0.00 -0.34 -4.88 120.51 114.73 2k35 n ALA 54 Ca -0.12 0.19 -0.35 0.00 0.00 0.00 0.00 53.44 53.16 2k35 n ALA 54 Cb 0.46 -2.57 -0.14 0.00 0.00 0.00 0.00 19.45 17.21 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 -3.06 2.93 0.01 0.00 0.52 -0.94 -1.88 118.94 116.52 2k35 s TRP 55 Ca 0.07 -0.90 -0.06 0.00 0.02 0.00 0.00 56.10 55.24 2k35 s TRP 55 Cb -0.03 -2.06 -0.00 0.00 -1.15 0.00 0.00 33.47 30.23 2k35 s TRP 55 CO 0.09 -0.49 0.10 -0.08 0.02 0.00 0.00 176.95 176.59 2k35 s THR 56 N 1.26 0.10 -0.38 2.01 -1.32 -0.72 0.07 115.64 116.65 2k35 s THR 56 Ca 0.03 -0.79 -0.29 0.00 -1.21 0.00 0.00 61.69 59.43 2k35 s THR 56 Cb -0.14 -0.47 0.00 0.00 -1.51 0.00 0.00 72.50 70.38 2k35 s THR 56 CO -0.02 -0.44 1.43 0.00 -2.21 0.00 0.00 174.62 173.38 2k35 s ILE 58 N 5.36 4.82 0.11 0.00 -1.09 0.12 -4.66 121.20 125.86 2k35 s ILE 58 Ca 0.62 1.10 -0.31 0.00 -2.23 0.00 0.00 60.65 59.84 2k35 s ILE 58 Cb -0.15 -4.12 -0.07 0.00 -1.58 0.00 0.00 42.46 36.53 2k35 s ILE 58 CO 0.31 -0.23 1.34 0.00 -1.23 0.00 0.00 174.94 175.13