#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 0.00 -0.67 5.09 -5.35 -1.26 -4.98 119.36 112.18 2k35 n ILE 2 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2k35 n ILE 2 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 2k35 n ILE 2 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 2k35 n VAL 3 N 0.00 -3.15 -3.63 7.28 0.31 -1.26 -4.98 118.33 112.90 2k35 n VAL 3 Ca 0.00 0.90 -0.04 0.00 -0.01 0.00 0.00 64.34 65.19 2k35 n VAL 3 Cb 0.00 -2.05 -0.05 0.00 -0.91 0.00 0.00 33.84 30.83 2k35 n VAL 3 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 2k35 s ASP 4 N -1.09 -0.11 -0.29 4.52 1.47 -1.26 -4.61 116.67 115.30 2k35 s ASP 4 Ca 0.00 0.14 -0.16 0.00 1.18 0.00 0.00 52.55 53.71 2k35 s ASP 4 Cb 0.00 0.11 0.12 0.00 -0.34 0.00 0.00 42.92 42.82 2k35 s ASP 4 CO 0.00 -0.10 0.88 0.00 0.68 0.00 0.00 175.17 176.63 2k35 n TRP 6 N 3.92 2.50 0.01 0.00 -0.00 0.32 -4.44 117.44 119.74 2k35 n TRP 6 Ca -0.19 -0.20 -0.02 0.00 -0.00 0.00 0.00 57.50 57.09 2k35 n TRP 6 Cb 0.58 -2.74 -0.01 0.00 -0.00 0.00 0.00 31.31 29.14 2k35 n TRP 6 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 177.69 175.78 2k35 n GLU 7 N 6.54 0.11 -0.00 5.87 2.13 -0.82 -4.38 120.64 130.09 2k35 n GLU 7 Ca 0.20 0.04 -0.01 0.00 0.66 0.00 0.00 57.16 58.05 2k35 n GLU 7 Cb 0.37 -0.60 -0.00 0.00 0.27 0.00 0.00 31.44 31.48 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 -3.41 0.26 0.06 6.31 -2.24 -1.26 -5.04 114.28 108.95 2k35 n THR 8 Ca -0.03 0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.99 2k35 n THR 8 Cb 0.11 -1.37 0.00 0.00 -2.10 0.00 0.00 70.33 66.97 2k35 n THR 8 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 2k35 n TRP 9 N -2.78 -2.99 0.41 4.78 -0.00 -1.26 -4.90 117.44 110.70 2k35 n TRP 9 Ca -0.01 0.38 0.13 0.00 -0.00 0.00 0.00 57.50 58.00 2k35 n TRP 9 Cb 0.05 1.33 0.50 0.00 -0.00 0.00 0.00 31.31 33.18 2k35 n TRP 9 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 177.69 178.46 2k35 h SER 10 N 0.00 0.00 -0.36 5.87 0.02 -1.98 -3.30 113.55 113.81 2k35 h SER 10 Ca 0.00 0.00 -0.45 0.00 -0.84 0.00 0.00 61.79 60.50 2k35 h SER 10 Cb 0.00 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.47 2k35 h SER 10 CO 0.00 0.00 1.23 0.54 -1.14 0.00 0.00 176.83 177.46 2k35 n ARG 11 N -2.42 2.86 0.15 3.45 1.74 -1.26 -0.76 116.66 120.42 2k35 n ARG 11 Ca 0.03 -1.89 0.00 0.00 -0.77 0.00 0.00 57.85 55.21 2k35 n ARG 11 Cb 0.29 -2.32 0.00 0.00 -1.02 0.00 0.00 32.46 29.41 2k35 n ARG 11 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2k35 h THR 13 N 0.00 1.64 0.00 0.00 1.35 -1.71 -3.41 112.91 110.78 2k35 h THR 13 Ca 0.00 -3.33 0.00 0.00 -0.55 0.00 0.00 66.41 62.53 2k35 h THR 13 Cb 0.00 2.81 0.00 0.00 -1.73 0.00 0.00 68.15 69.23 2k35 h THR 13 CO 0.00 0.94 -0.49 1.17 -0.25 0.00 0.00 175.52 176.89 2k35 n LYS 14 N -3.34 0.26 -2.58 4.72 4.81 -0.24 -2.08 118.16 119.72 2k35 n LYS 14 Ca -0.00 0.10 -0.26 0.00 -0.87 0.00 0.00 58.31 57.29 2k35 n LYS 14 Cb 0.93 -0.93 0.02 0.00 0.02 0.00 0.00 35.03 35.07 2k35 n LYS 14 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 2k35 s TRP 15 N -2.32 3.27 0.00 5.64 0.52 0.06 -3.38 118.94 122.73 2k35 s TRP 15 Ca -0.14 0.54 0.00 0.00 0.02 0.00 0.00 56.10 56.52 2k35 s TRP 15 Cb 0.02 -2.59 0.00 0.00 -1.15 0.00 0.00 33.47 29.75 2k35 s TRP 15 CO 0.21 -0.65 0.00 -1.13 0.02 0.00 0.00 176.95 175.40 2k35 n SER 16 N -2.42 0.00 -2.91 2.95 3.41 -1.26 -1.98 113.62 111.41 2k35 n SER 16 Ca 0.03 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.58 2k35 n SER 16 Cb 0.57 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.54 2k35 n SER 16 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2k35 n GLN 17 N 0.00 0.90 -2.48 4.33 7.27 -1.26 -2.91 117.38 123.23 2k35 n GLN 17 Ca 0.00 -0.97 -0.40 0.00 0.07 0.00 0.00 57.00 55.69 2k35 n GLN 17 Cb 0.00 -0.06 -0.04 0.00 2.41 0.00 0.00 30.24 32.54 2k35 n GLN 17 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 2k35 s GLY 18 N -2.79 3.06 0.00 1.69 0.00 -1.26 -3.75 107.32 104.27 2k35 s GLY 18 Ca 0.18 0.89 0.00 0.00 0.00 0.00 0.00 44.72 45.79 2k35 s GLY 18 CO 0.12 1.50 0.00 0.61 0.00 0.00 0.00 173.10 175.33 2k35 n GLY 19 N 1.23 2.06 5.00 0.20 0.00 -1.26 -4.92 105.19 107.50 2k35 n GLY 19 Ca -0.01 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 0.00 0.00 -0.94 2.61 -1.04 -1.25 -4.62 114.28 109.05 2k35 n THR 20 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 2k35 n THR 20 Cb 0.00 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.47 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 0.00 3.45 0.00 3.41 0.00 -1.26 -4.41 105.19 106.38 2k35 n GLY 21 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 1.31 0.00 0.00 2.61 -2.24 -1.26 -5.07 114.28 109.63 2k35 n THR 22 Ca 0.29 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.07 2k35 n THR 22 Cb 0.64 -0.94 0.00 0.00 -2.10 0.00 0.00 70.33 67.93 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 -1.40 0.00 0.15 3.22 7.94 -1.26 -5.08 117.00 120.57 2k35 n LEU 23 Ca 0.00 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.78 2k35 n LEU 23 Cb 0.00 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 43.88 2k35 n LEU 23 CO 0.00 0.00 0.45 4.11 -1.11 0.00 0.00 177.39 180.84 2k35 h TRP 24 N 0.00 -0.40 0.00 1.96 0.09 -1.85 -3.43 115.95 112.32 2k35 h TRP 24 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 58.89 58.97 2k35 h TRP 24 Cb 0.00 0.13 0.00 0.00 0.08 0.00 0.00 29.16 29.37 2k35 h TRP 24 CO 0.00 -0.05 0.00 1.17 0.09 0.00 0.00 178.44 179.65 2k35 n LYS 25 N -5.10 0.00 -0.39 0.12 4.81 -1.26 -4.66 118.16 111.69 2k35 n LYS 25 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.35 2k35 n LYS 25 Cb 0.27 -0.96 0.00 0.00 0.02 0.00 0.00 35.03 34.36 2k35 n LYS 25 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 2k35 n SER 26 N 0.52 -2.30 -0.05 3.14 7.64 -1.22 -3.88 113.62 117.47 2k35 n SER 26 Ca 0.00 0.41 -0.10 0.00 1.01 0.00 0.00 58.87 60.19 2k35 n SER 26 Cb 0.00 -0.46 -0.03 0.00 -1.01 0.00 0.00 64.21 62.70 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 -0.35 -1.26 -0.50 0.00 -0.73 -1.83 0.34 115.58 111.25 2k35 h ASN 28 Ca 0.12 0.12 -0.01 0.00 1.87 0.00 0.00 56.30 58.41 2k35 h ASN 28 Cb 0.55 0.45 -0.02 0.00 0.27 0.00 0.00 38.32 39.57 2k35 h ASN 28 CO -0.43 -0.48 0.27 -0.78 -0.37 0.00 0.00 177.43 175.64 2k35 h ASP 29 N -0.68 0.63 0.16 1.15 3.58 -1.69 -0.60 116.42 118.96 2k35 h ASP 29 Ca -0.02 -0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.33 2k35 h ASP 29 Cb 0.65 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.54 2k35 h ASP 29 CO -0.18 0.54 -0.07 -0.09 -2.88 0.00 0.00 179.24 176.55 2k35 h ARG 30 N 0.67 -0.20 -0.66 0.28 2.43 -0.97 -1.34 114.38 114.58 2k35 h ARG 30 Ca 0.18 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 2k35 h ARG 30 Cb 0.05 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 2k35 h ARG 30 CO -0.03 -0.01 0.36 0.00 -1.51 0.00 0.00 179.97 178.79 2k35 h LYS 32 N 0.92 0.59 0.00 0.00 3.64 -0.85 0.14 116.57 121.01 2k35 h LYS 32 Ca 0.24 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2k35 h LYS 32 Cb 0.03 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 2k35 h LYS 32 CO -0.04 0.39 0.00 0.39 -2.27 0.00 0.00 179.45 177.92 2k35 n GLU 33 N -4.79 0.03 -0.38 1.90 1.02 -0.53 -2.33 120.64 115.56 2k35 n GLU 33 Ca 0.02 0.17 0.10 0.00 -0.02 0.00 0.00 57.16 57.44 2k35 n GLU 33 Cb 0.05 -1.54 0.30 0.00 -0.02 0.00 0.00 31.44 30.22 2k35 n GLU 33 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2k35 n LEU 34 N -1.60 3.71 0.00 -4.62 4.77 -0.53 -4.90 117.00 113.83 2k35 n LEU 34 Ca 0.05 -1.86 0.00 0.00 -0.03 0.00 0.00 56.01 54.17 2k35 n LEU 34 Cb 0.25 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 2k35 n LEU 34 CO 0.20 0.85 0.00 0.61 -1.33 0.00 0.00 177.39 177.72 2k35 n GLY 35 N 1.45 0.59 0.00 -0.72 0.00 -0.99 -5.02 105.19 100.51 2k35 n GLY 35 Ca 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.80 3.28 0.16 1.61 5.12 0.39 -5.01 116.66 119.41 2k35 n ARG 36 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2k35 n ARG 36 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 2k35 n ARG 36 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 2k35 n LYS 37 N 0.00 0.00 -4.45 5.56 4.81 -1.25 -4.39 118.16 118.45 2k35 n LYS 37 Ca 0.00 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.22 2k35 n LYS 37 Cb 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 34.95 2k35 n LYS 37 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 2k35 s ARG 38 N -2.00 1.60 0.09 1.64 1.70 -1.26 -4.37 118.95 116.35 2k35 s ARG 38 Ca 0.00 -1.84 -0.09 0.00 -0.47 0.00 0.00 55.73 53.33 2k35 s ARG 38 Cb 0.00 -1.14 0.00 0.00 -0.57 0.00 0.00 34.95 33.24 2k35 s ARG 38 CO 0.00 -0.01 0.21 0.20 -1.08 0.00 0.00 175.30 174.62 2k35 s GLY 39 N -3.47 0.06 0.01 3.88 0.00 -1.26 -1.90 107.32 104.63 2k35 s GLY 39 Ca 0.31 -0.56 0.01 0.00 0.00 0.00 0.00 44.72 44.48 2k35 s GLY 39 CO 0.13 -0.76 -0.04 -0.86 0.00 0.00 0.00 173.10 171.57 2k35 s GLN 40 N -3.83 0.32 -0.88 2.90 -2.07 -0.58 -4.84 119.66 110.69 2k35 s GLN 40 Ca 0.05 -0.28 -0.25 0.00 -1.82 0.00 0.00 55.36 53.06 2k35 s GLN 40 Cb 0.05 -0.23 -0.04 0.00 -1.09 0.00 0.00 33.01 31.69 2k35 s GLN 40 CO -0.11 0.06 1.93 0.00 -1.32 0.00 0.00 175.29 175.84 2k35 s GLU 42 N 6.97 2.94 -1.01 0.00 0.41 0.10 -4.64 118.70 123.47 2k35 s GLU 42 Ca 0.69 -0.79 -0.24 0.00 -0.41 0.00 0.00 54.97 54.23 2k35 s GLU 42 Cb -0.07 -2.70 -0.06 0.00 -1.78 0.00 0.00 34.13 29.52 2k35 s GLU 42 CO 0.01 0.51 1.93 -2.00 -0.49 0.00 0.00 175.26 175.22 2k35 s GLU 43 N -2.87 2.58 -0.37 1.61 2.12 -1.26 0.64 118.70 121.15 2k35 s GLU 43 Ca 0.31 -0.64 0.01 0.00 0.36 0.00 0.00 54.97 55.01 2k35 s GLU 43 Cb -0.11 -5.14 0.14 0.00 0.26 0.00 0.00 34.13 29.29 2k35 s GLU 43 CO 0.23 -3.53 0.23 0.15 -0.54 0.00 0.00 175.26 171.80 2k35 s LYS 44 N 6.73 0.68 0.00 4.30 -0.14 0.55 -4.93 119.74 126.93 2k35 s LYS 44 Ca 0.69 -1.52 -0.01 0.00 -1.36 0.00 0.00 55.97 53.77 2k35 s LYS 44 Cb -0.04 -1.42 -0.04 0.00 -1.68 0.00 0.00 37.83 34.65 2k35 s LYS 44 CO 0.04 -1.23 1.93 -2.30 -0.76 0.00 0.00 175.35 173.03 2k35 n PRO 45 N 3.81 0.99 -0.08 -1.68 -0.02 -1.22 -4.14 135.00 132.66 2k35 n PRO 45 Ca 0.14 -0.15 -0.08 0.00 -2.02 0.00 0.00 63.50 61.40 2k35 n PRO 45 Cb 0.38 -1.23 -0.03 0.00 -0.02 0.00 0.00 33.50 32.61 2k35 n PRO 45 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2k35 n SER 46 N 1.75 1.84 -0.03 2.55 7.64 -1.26 -4.36 113.62 121.75 2k35 n SER 46 Ca 0.06 0.55 0.12 0.00 1.01 0.00 0.00 58.87 60.61 2k35 n SER 46 Cb 0.48 -0.85 0.69 0.00 -1.01 0.00 0.00 64.21 63.52 2k35 n SER 46 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2k35 n ARG 47 N -4.56 1.04 -3.78 1.43 1.85 -1.26 -4.63 116.66 106.76 2k35 n ARG 47 Ca -0.12 -0.07 -0.24 0.00 -1.00 0.00 0.00 57.85 56.42 2k35 n ARG 47 Cb 0.38 -1.37 -0.17 0.00 -1.05 0.00 0.00 32.46 30.24 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 5.10 0.09 -2.90 0.00 -0.02 -1.26 -4.53 135.00 131.47 2k35 n PRO 49 Ca -0.08 0.37 -0.43 0.00 -2.02 0.00 0.00 63.50 61.33 2k35 n PRO 49 Cb 0.49 -1.68 -0.04 0.00 -0.02 0.00 0.00 33.50 32.25 2k35 n PRO 49 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2k35 s LEU 50 N -3.69 4.42 0.55 2.45 1.02 -1.26 -4.88 118.68 117.28 2k35 s LEU 50 Ca 0.05 -0.78 0.33 0.00 0.02 0.00 0.00 54.13 53.74 2k35 s LEU 50 Cb 0.08 -2.56 1.41 0.00 0.02 0.00 0.00 46.19 45.15 2k35 s LEU 50 CO 0.29 -1.28 2.01 0.28 0.02 0.00 0.00 176.35 177.67 2k35 h SER 51 N 9.38 0.00 0.52 2.29 0.02 -1.94 -2.44 113.55 121.38 2k35 h SER 51 Ca -0.28 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.64 2k35 h SER 51 Cb 1.08 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.61 2k35 h SER 51 CO 1.12 0.04 -0.14 0.11 -1.14 0.00 0.00 176.83 176.82 2k35 h LYS 52 N 0.00 0.00 0.00 3.45 1.79 -1.96 -3.29 116.57 116.55 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 0.48 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 2k35 h LYS 52 CO 0.01 0.14 -0.19 1.63 -1.08 0.00 0.00 179.45 179.95 2k35 n LYS 53 N -3.53 0.14 0.00 3.15 5.02 -0.95 -4.94 118.16 117.04 2k35 n LYS 53 Ca -0.01 0.24 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 2k35 n LYS 53 Cb 0.28 -0.93 0.00 0.00 -0.02 0.00 0.00 35.03 34.36 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 -2.79 0.00 -2.21 7.82 0.00 -1.00 -4.63 120.51 117.69 2k35 n ALA 54 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.00 2k35 n ALA 54 Cb 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.52 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 2.04 0.08 0.00 0.51 -1.25 -0.33 118.94 119.98 2k35 s TRP 55 Ca 0.00 0.61 0.07 0.00 -2.12 0.00 0.00 56.10 54.66 2k35 s TRP 55 Cb 0.00 -4.25 -0.04 0.00 -0.81 0.00 0.00 33.47 28.38 2k35 s TRP 55 CO 0.00 -2.28 -0.16 -0.08 -0.51 0.00 0.00 176.95 173.92 2k35 s THR 56 N 6.87 2.97 -0.89 2.01 -1.32 0.21 0.12 115.64 125.60 2k35 s THR 56 Ca 0.64 -1.28 -0.25 0.00 -1.21 0.00 0.00 61.69 59.58 2k35 s THR 56 Cb -0.14 -2.32 -0.07 0.00 -1.51 0.00 0.00 72.50 68.46 2k35 s THR 56 CO 0.27 0.22 2.04 0.00 -2.21 0.00 0.00 174.62 174.94 2k35 s ILE 58 N 11.18 4.72 0.51 0.00 -1.09 0.12 -4.56 121.20 132.07 2k35 s ILE 58 Ca 0.75 1.95 -0.20 0.00 -2.23 0.00 0.00 60.65 60.91 2k35 s ILE 58 Cb -0.08 -4.28 -0.07 0.00 -1.58 0.00 0.00 42.46 36.46 2k35 s ILE 58 CO 0.02 -0.15 1.10 0.00 -1.23 0.00 0.00 174.94 174.68