#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 3.06 0.28 5.09 -1.09 -1.26 -4.70 121.20 122.58 2k35 s ILE 2 Ca 0.00 -1.27 -0.30 0.00 -2.23 0.00 0.00 60.65 56.86 2k35 s ILE 2 Cb 0.00 -2.37 -0.10 0.00 -1.58 0.00 0.00 42.46 38.41 2k35 s ILE 2 CO 0.00 0.21 1.45 0.54 -1.23 0.00 0.00 174.94 175.91 2k35 s VAL 3 N -1.08 2.50 -0.36 2.92 0.11 -1.26 -4.87 120.40 118.36 2k35 s VAL 3 Ca 0.18 0.44 0.00 0.00 -2.93 0.00 0.00 61.98 59.67 2k35 s VAL 3 Cb -0.11 -3.28 0.00 0.00 -1.53 0.00 0.00 36.38 31.46 2k35 s VAL 3 CO 0.09 0.08 0.75 0.47 -3.33 0.00 0.00 175.10 173.16 2k35 n ASP 4 N 1.89 2.08 -0.79 3.54 8.00 -1.26 -4.73 116.55 125.28 2k35 n ASP 4 Ca 0.05 -1.83 0.03 0.00 0.71 0.00 0.00 54.79 53.75 2k35 n ASP 4 Cb 0.40 -0.46 -0.01 0.00 -0.02 0.00 0.00 41.12 41.03 2k35 n ASP 4 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k35 n TRP 6 N -1.78 -1.38 0.00 0.00 -0.00 -1.24 -0.11 117.44 112.92 2k35 n TRP 6 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 2k35 n TRP 6 Cb 0.09 0.28 0.00 0.00 -0.00 0.00 0.00 31.31 31.68 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 -1.97 0.00 -2.92 5.87 2.13 -1.26 -4.73 120.64 117.76 2k35 n GLU 7 Ca 0.00 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 57.63 2k35 n GLU 7 Cb 0.00 0.00 0.05 0.00 0.27 0.00 0.00 31.44 31.76 2k35 n GLU 7 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2k35 s THR 8 N 0.00 2.50 0.09 6.31 -4.23 -1.26 -4.69 115.64 114.36 2k35 s THR 8 Ca 0.00 -0.90 -0.33 0.00 -1.18 0.00 0.00 61.69 59.27 2k35 s THR 8 Cb 0.00 -2.59 -0.15 0.00 1.34 0.00 0.00 72.50 71.10 2k35 s THR 8 CO 0.00 0.00 1.59 -0.50 -0.54 0.00 0.00 174.62 175.17 2k35 h TRP 9 N 0.23 -1.18 -0.64 3.99 4.06 -1.97 -0.92 115.95 119.52 2k35 h TRP 9 Ca -0.36 0.01 0.04 0.00 2.06 0.00 0.00 58.89 60.65 2k35 h TRP 9 Cb 1.28 0.46 -0.05 0.00 -1.00 0.00 0.00 29.16 29.86 2k35 h TRP 9 CO 0.33 -0.59 0.37 0.77 -3.56 0.00 0.00 178.44 175.76 2k35 h SER 10 N -0.86 0.57 0.67 -3.49 0.02 -1.99 0.17 113.55 108.64 2k35 h SER 10 Ca -0.04 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2k35 h SER 10 Cb 0.77 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.21 2k35 h SER 10 CO -0.08 0.38 0.00 0.03 -1.14 0.00 0.00 176.83 176.02 2k35 h ARG 11 N 0.70 0.00 0.00 3.45 2.47 -1.86 -1.70 114.38 117.43 2k35 h ARG 11 Ca 0.27 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.82 2k35 h ARG 11 Cb 0.11 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.40 2k35 h ARG 11 CO -0.15 0.00 -1.55 0.00 0.56 0.00 0.00 179.97 178.83 2k35 h THR 13 N 0.00 1.13 0.00 0.00 2.02 0.24 -3.41 112.91 112.88 2k35 h THR 13 Ca -0.18 -0.59 0.00 0.00 0.77 0.00 0.00 66.41 66.41 2k35 h THR 13 Cb 1.58 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 69.21 2k35 h THR 13 CO 0.04 0.18 0.00 0.29 0.37 0.00 0.00 175.52 176.39 2k35 n LYS 14 N -4.34 0.16 0.00 6.66 5.02 -1.16 -0.75 118.16 123.75 2k35 n LYS 14 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 2k35 n LYS 14 Cb 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.24 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 0.00 -0.00 0.00 2.13 8.01 -1.26 -4.75 117.44 121.57 2k35 n TRP 15 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 2k35 n TRP 15 Cb 0.00 0.03 0.00 0.00 -2.01 0.00 0.00 31.31 29.33 2k35 n TRP 15 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 2k35 n SER 16 N -3.75 0.00 -4.71 -0.99 2.88 -1.26 -4.49 113.62 101.30 2k35 n SER 16 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 2k35 n SER 16 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 2k35 n SER 16 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 2k35 n GLN 17 N 0.00 2.42 0.00 -1.46 -0.06 0.84 -1.85 117.38 117.27 2k35 n GLN 17 Ca 0.00 0.87 0.00 0.00 -2.00 0.00 0.00 57.00 55.87 2k35 n GLN 17 Cb 0.00 -2.61 0.00 0.00 -4.06 0.00 0.00 30.24 23.57 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 2.57 1.55 2.18 1.69 0.00 -1.26 -4.63 105.19 107.30 2k35 n GLY 18 Ca 0.12 -0.50 -0.19 0.00 0.00 0.00 0.00 46.02 45.44 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 3.83 3.64 -0.02 0.00 -1.24 -4.93 105.19 106.47 2k35 n GLY 19 Ca 0.00 -1.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.16 2k35 n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k35 s THR 20 N -1.29 3.40 0.00 2.61 2.01 -0.77 -2.45 115.64 119.15 2k35 s THR 20 Ca 0.51 0.46 0.00 0.00 0.31 0.00 0.00 61.69 62.98 2k35 s THR 20 Cb 0.31 -3.37 0.00 0.00 0.01 0.00 0.00 72.50 69.46 2k35 s THR 20 CO -0.11 -0.12 0.00 0.61 -0.69 0.00 0.00 174.62 174.31 2k35 n GLY 21 N 4.65 2.22 0.19 4.40 0.00 -1.26 -4.84 105.19 110.54 2k35 n GLY 21 Ca 0.20 -0.56 0.07 0.00 0.00 0.00 0.00 46.02 45.73 2k35 n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k35 h THR 22 N 0.00 0.71 -0.96 2.61 1.03 -1.98 -3.07 112.91 111.25 2k35 h THR 22 Ca 0.00 -1.56 -0.58 0.00 -0.01 0.00 0.00 66.41 64.26 2k35 h THR 22 Cb 0.00 2.02 -0.29 0.00 -1.07 0.00 0.00 68.15 68.81 2k35 h THR 22 CO 0.00 0.33 0.68 0.18 -0.01 0.00 0.00 175.52 176.70 2k35 n LEU 23 N -3.36 7.00 -4.46 0.00 7.99 -1.02 -4.84 117.00 118.31 2k35 n LEU 23 Ca 0.01 -3.96 -0.44 0.00 -0.01 0.00 0.00 56.01 51.61 2k35 n LEU 23 Cb 0.55 -0.88 -0.00 0.00 -0.11 0.00 0.00 43.42 42.98 2k35 n LEU 23 CO 0.36 1.28 1.35 0.86 -1.51 0.00 0.00 177.39 179.73 2k35 s TRP 24 N -3.54 3.51 -0.18 -1.77 -0.11 -1.16 -4.57 118.94 111.12 2k35 s TRP 24 Ca 0.60 -2.12 0.13 0.00 1.22 0.00 0.00 56.10 55.93 2k35 s TRP 24 Cb 0.49 -4.29 0.40 0.00 -1.50 0.00 0.00 33.47 28.57 2k35 s TRP 24 CO 0.05 -1.38 1.21 1.17 -4.62 0.00 0.00 176.95 173.37 2k35 n LYS 25 N 5.57 1.39 0.00 5.86 0.00 -1.26 -5.02 118.16 124.71 2k35 n LYS 25 Ca 0.35 -3.09 0.00 0.00 0.00 0.00 0.00 58.31 55.57 2k35 n LYS 25 Cb 0.43 -1.44 0.00 0.00 0.00 0.00 0.00 35.03 34.02 2k35 n LYS 25 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 2k35 n SER 26 N -0.98 0.00 0.00 3.14 3.41 -1.26 -2.39 113.62 115.54 2k35 n SER 26 Ca 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 2k35 n SER 26 Cb 0.73 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.68 2k35 n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k35 h ASN 28 N 0.00 -0.24 0.55 0.00 -1.24 -1.83 -1.51 115.58 111.31 2k35 h ASN 28 Ca 0.00 -0.24 -0.04 0.00 0.71 0.00 0.00 56.30 56.73 2k35 h ASN 28 Cb 0.17 0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.27 2k35 h ASN 28 CO 0.00 0.14 -0.21 -0.78 -1.29 0.00 0.00 177.43 175.29 2k35 h ASP 29 N -0.66 0.00 -0.26 1.15 3.58 -1.90 -1.23 116.42 117.10 2k35 h ASP 29 Ca -0.03 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.39 2k35 h ASP 29 Cb 0.47 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.51 2k35 h ASP 29 CO 0.05 0.21 0.04 -0.09 -2.88 0.00 0.00 179.24 176.57 2k35 h ARG 30 N 0.00 0.42 0.00 0.28 9.65 -1.29 -2.28 114.38 121.16 2k35 h ARG 30 Ca -0.00 -0.11 -0.09 0.00 -1.10 0.00 0.00 59.98 58.67 2k35 h ARG 30 Cb 0.54 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.06 2k35 h ARG 30 CO 0.03 0.55 -0.43 0.00 2.80 0.00 0.00 179.97 182.91 2k35 h LYS 32 N 0.00 0.18 -0.07 0.00 1.57 -0.93 -1.11 116.57 116.20 2k35 h LYS 32 Ca -0.00 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 2k35 h LYS 32 Cb 0.98 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 2k35 h LYS 32 CO 0.06 0.37 -0.29 1.49 -0.57 0.00 0.00 179.45 180.50 2k35 h GLU 33 N 0.17 0.13 -0.00 3.15 4.81 -1.11 -1.16 114.58 120.57 2k35 h GLU 33 Ca 0.03 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2k35 h GLU 33 Cb 0.43 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.80 2k35 h GLU 33 CO 0.03 0.42 0.00 1.28 -0.73 0.00 0.00 179.01 180.01 2k35 n LEU 34 N -4.15 0.02 0.00 1.64 4.77 -0.52 -4.84 117.00 113.92 2k35 n LEU 34 Ca -0.01 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2k35 n LEU 34 Cb 0.37 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 2k35 n LEU 34 CO 0.39 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 2k35 n GLY 35 N 0.79 0.44 3.67 -0.72 0.00 -0.44 -5.05 105.19 103.89 2k35 n GLY 35 Ca 0.14 -0.98 -0.20 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.76 0.27 0.00 1.61 5.12 -0.60 -5.00 116.66 115.31 2k35 n ARG 36 Ca 0.00 -2.75 0.00 0.00 -1.93 0.00 0.00 57.85 53.17 2k35 n ARG 36 Cb 0.04 -0.43 0.00 0.00 -1.16 0.00 0.00 32.46 30.91 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 -2.47 0.00 -1.17 5.56 4.76 -1.26 -4.35 118.16 119.22 2k35 n LYS 37 Ca 0.16 0.10 0.00 0.00 -2.87 0.00 0.00 58.31 55.70 2k35 n LYS 37 Cb 0.56 -0.48 0.00 0.00 -1.84 0.00 0.00 35.03 33.27 2k35 n LYS 37 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2k35 n ARG 38 N -1.93 2.52 -3.63 1.97 1.74 0.16 -4.71 116.66 112.78 2k35 n ARG 38 Ca 0.00 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.93 2k35 n ARG 38 Cb 0.00 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.37 2k35 n ARG 38 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2k35 s GLY 39 N -0.59 -0.49 -0.03 -0.13 0.00 -1.26 -1.11 107.32 103.70 2k35 s GLY 39 Ca 0.00 1.68 0.01 0.00 0.00 0.00 0.00 44.72 46.41 2k35 s GLY 39 CO 0.00 1.40 -0.03 1.20 0.00 0.00 0.00 173.10 175.67 2k35 s GLN 40 N -0.03 0.61 -0.13 2.90 -0.21 0.38 -4.80 119.66 118.38 2k35 s GLN 40 Ca -0.03 -0.07 -0.29 0.00 0.02 0.00 0.00 55.36 54.99 2k35 s GLN 40 Cb -0.04 -0.66 -0.05 0.00 1.00 0.00 0.00 33.01 33.26 2k35 s GLN 40 CO 0.03 -0.06 1.88 0.00 -2.12 0.00 0.00 175.29 175.02 2k35 s GLU 42 N 4.98 1.76 -1.39 0.00 0.41 0.20 -4.90 118.70 119.76 2k35 s GLU 42 Ca 0.84 -1.89 -0.09 0.00 -0.41 0.00 0.00 54.97 53.42 2k35 s GLU 42 Cb -0.33 -1.66 0.09 0.00 -1.78 0.00 0.00 34.13 30.45 2k35 s GLU 42 CO 0.34 0.17 2.26 0.39 -0.49 0.00 0.00 175.26 177.93 2k35 n GLU 43 N -0.73 3.72 -3.76 1.61 1.02 -1.26 -1.15 120.64 120.08 2k35 n GLU 43 Ca -0.05 -3.10 -0.37 0.00 -0.02 0.00 0.00 57.16 53.62 2k35 n GLU 43 Cb 0.63 -2.91 -0.12 0.00 -0.02 0.00 0.00 31.44 29.02 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 0.89 2.42 0.13 3.49 3.01 -1.25 -4.93 119.74 123.49 2k35 s LYS 44 Ca 0.50 -1.42 0.23 0.00 -1.01 0.00 0.00 55.97 54.26 2k35 s LYS 44 Cb 0.14 -3.50 0.90 0.00 -1.01 0.00 0.00 37.83 34.36 2k35 s LYS 44 CO -0.05 -0.82 1.71 -0.35 0.51 0.00 0.00 175.35 176.35 2k35 n PRO 45 N 4.74 0.12 0.03 -1.68 -0.04 -1.26 -3.17 135.00 133.74 2k35 n PRO 45 Ca -0.10 0.25 -0.00 0.00 -0.04 0.00 0.00 63.50 63.61 2k35 n PRO 45 Cb 0.43 -1.69 0.29 0.00 -0.04 0.00 0.00 33.50 32.49 2k35 n PRO 45 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2k35 h SER 46 N 0.00 0.44 -0.71 3.54 4.64 -1.99 -2.50 113.55 116.97 2k35 h SER 46 Ca 0.00 -0.10 -0.34 0.00 -0.47 0.00 0.00 61.79 60.88 2k35 h SER 46 Cb 0.45 -0.12 -0.20 0.00 -0.31 0.00 0.00 62.40 62.22 2k35 h SER 46 CO 0.00 0.56 0.32 0.54 -0.87 0.00 0.00 176.83 177.39 2k35 n ARG 47 N -4.24 2.33 -3.70 4.77 1.74 -1.19 -4.89 116.66 111.47 2k35 n ARG 47 Ca 0.01 -3.08 -0.15 0.00 -0.77 0.00 0.00 57.85 53.85 2k35 n ARG 47 Cb 0.28 -2.04 -0.15 0.00 -1.02 0.00 0.00 32.46 29.53 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 7.93 -0.01 -6.44 0.00 0.11 -1.81 -3.41 132.00 128.37 2k35 h PRO 49 Ca -0.25 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.29 2k35 h PRO 49 Cb 1.13 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.18 2k35 h PRO 49 CO 0.25 0.13 0.92 -0.51 -0.21 0.00 0.00 178.00 178.58 2k35 s LEU 50 N -9.92 3.82 0.58 2.35 1.43 -1.26 -4.91 118.68 110.77 2k35 s LEU 50 Ca -0.14 0.94 0.27 0.00 -1.03 0.00 0.00 54.13 54.17 2k35 s LEU 50 Cb 0.05 -3.54 1.72 0.00 0.03 0.00 0.00 46.19 44.45 2k35 s LEU 50 CO 0.66 -1.07 2.24 0.28 0.23 0.00 0.00 176.35 178.68 2k35 h SER 51 N 8.92 0.00 -0.50 2.29 0.02 -1.93 -0.90 113.55 121.46 2k35 h SER 51 Ca -0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 2k35 h SER 51 Cb 1.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.61 2k35 h SER 51 CO 1.06 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 177.04 2k35 n LYS 52 N -3.96 2.25 -1.59 3.45 4.76 -1.26 -3.98 118.16 117.83 2k35 n LYS 52 Ca -0.03 -1.93 -0.03 0.00 -2.87 0.00 0.00 58.31 53.45 2k35 n LYS 52 Cb 0.09 -1.43 0.09 0.00 -1.84 0.00 0.00 35.03 31.93 2k35 n LYS 52 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2k35 n LYS 53 N 1.08 1.76 -1.60 1.97 4.76 -0.34 -4.98 118.16 120.80 2k35 n LYS 53 Ca 0.18 -3.26 -0.24 0.00 -2.87 0.00 0.00 58.31 52.13 2k35 n LYS 53 Cb 0.47 -1.40 -0.10 0.00 -1.84 0.00 0.00 35.03 32.16 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 -0.54 0.97 -3.45 7.82 0.00 -1.23 -3.85 120.51 120.23 2k35 n ALA 54 Ca 0.20 -2.60 -0.20 0.00 0.00 0.00 0.00 53.44 50.84 2k35 n ALA 54 Cb 0.89 -3.45 -0.12 0.00 0.00 0.00 0.00 19.45 16.77 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 13.60 -0.26 0.05 0.00 -0.11 -1.26 -3.96 118.94 127.00 2k35 s TRP 55 Ca 0.75 -0.21 0.03 0.00 1.22 0.00 0.00 56.10 57.89 2k35 s TRP 55 Cb -0.00 -0.52 -0.03 0.00 -1.50 0.00 0.00 33.47 31.42 2k35 s TRP 55 CO 0.19 -0.82 -0.09 -0.08 -4.62 0.00 0.00 176.95 171.52 2k35 s THR 56 N 2.30 0.70 -0.19 5.86 -1.32 -0.30 -3.69 115.64 119.00 2k35 s THR 56 Ca 0.09 -1.19 -0.29 0.00 -1.21 0.00 0.00 61.69 59.09 2k35 s THR 56 Cb -0.15 -0.79 0.00 0.00 -1.51 0.00 0.00 72.50 70.05 2k35 s THR 56 CO -0.28 -0.37 1.03 0.00 -2.21 0.00 0.00 174.62 172.79 2k35 s ILE 58 N 2.86 5.31 0.21 0.00 -1.09 0.19 -4.77 121.20 123.90 2k35 s ILE 58 Ca 0.45 0.48 -0.30 0.00 -2.23 0.00 0.00 60.65 59.05 2k35 s ILE 58 Cb -0.16 -3.61 -0.09 0.00 -1.58 0.00 0.00 42.46 37.01 2k35 s ILE 58 CO 0.09 0.36 1.39 0.00 -1.23 0.00 0.00 174.94 175.56