#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i1t n GLY 2 N 0.00 3.11 2.47 0.44 0.00 -1.26 -4.94 105.19 105.01 2i1t n GLY 2 Ca 0.00 -1.02 -0.33 0.00 0.00 0.00 0.00 46.02 44.66 2i1t n GLY 2 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2i1t n GLU 3 N 0.00 3.53 -4.40 1.61 0.28 -1.26 -4.93 120.64 115.47 2i1t n GLU 3 Ca 0.00 -2.87 -0.24 0.00 -0.16 0.00 0.00 57.16 53.89 2i1t n GLU 3 Cb 0.00 -2.40 -0.11 0.00 1.43 0.00 0.00 31.44 30.36 2i1t n GLU 3 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2i1t n GLY 5 N 0.08 0.87 0.00 0.00 0.00 -0.58 -4.76 105.19 100.80 2i1t n GLY 5 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2i1t n GLY 5 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i1t n GLY 6 N 5.00 4.35 0.13 -0.02 0.00 -1.26 -4.73 105.19 108.66 2i1t n GLY 6 Ca 0.00 -0.49 -0.20 0.00 0.00 0.00 0.00 46.02 45.33 2i1t n GLY 6 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2i1t n PHE 7 N 0.00 1.23 -3.29 1.61 7.35 -1.26 -4.66 117.46 118.44 2i1t n PHE 7 Ca 0.00 0.28 -0.25 0.00 -0.76 0.00 0.00 57.45 56.72 2i1t n PHE 7 Cb 0.00 -1.17 -0.08 0.00 0.35 0.00 0.00 39.48 38.58 2i1t n PHE 7 CO 0.00 0.00 0.00 1.87 -0.76 0.00 0.00 176.76 177.87 2i1t n TRP 8 N -3.43 -0.43 -4.00 -5.13 -0.00 -1.23 -3.83 117.44 99.40 2i1t n TRP 8 Ca -0.30 -3.48 -0.26 0.00 -0.00 0.00 0.00 57.50 53.46 2i1t n TRP 8 Cb 1.05 -0.11 -0.04 0.00 -0.00 0.00 0.00 31.31 32.21 2i1t n TRP 8 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 177.69 176.11 2i1t s TRP 9 N -0.72 3.36 -0.05 5.87 0.52 -0.96 -4.85 118.94 122.12 2i1t s TRP 9 Ca 0.34 0.06 -0.20 0.00 0.02 0.00 0.00 56.10 56.32 2i1t s TRP 9 Cb 0.11 -1.60 -0.05 0.00 -1.15 0.00 0.00 33.47 30.78 2i1t s TRP 9 CO -0.15 0.51 0.56 0.15 0.02 0.00 0.00 176.95 178.05 2i1t s LYS 10 N -3.23 4.32 0.31 4.98 3.01 -1.26 0.15 119.74 128.01 2i1t s LYS 10 Ca 0.33 0.65 -0.09 0.00 -1.01 0.00 0.00 55.97 55.85 2i1t s LYS 10 Cb -0.11 -3.38 0.01 0.00 -1.01 0.00 0.00 37.83 33.34 2i1t s LYS 10 CO 0.27 0.27 0.52 0.00 0.51 0.00 0.00 175.35 176.92 2i1t n GLY 12 N -0.48 0.49 1.88 0.00 0.00 -1.26 -3.66 105.19 102.16 2i1t n GLY 12 Ca -0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.83 2i1t n GLY 12 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2i1t n ARG 13 N 0.00 1.85 -0.99 1.61 3.00 -1.26 -3.23 116.66 117.65 2i1t n ARG 13 Ca 0.00 -1.71 0.00 0.00 -0.00 0.00 0.00 57.85 56.14 2i1t n ARG 13 Cb 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 32.46 30.79 2i1t n ARG 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2i1t n GLY 14 N 0.10 1.13 0.37 5.14 0.00 -1.26 -4.96 105.19 105.72 2i1t n GLY 14 Ca 0.33 -0.34 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 2i1t n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2i1t h LYS 15 N 0.00 -0.87 -6.77 1.61 6.56 -1.93 -3.43 116.57 111.74 2i1t h LYS 15 Ca 0.00 0.06 -0.51 0.00 -1.06 0.00 0.00 60.65 59.14 2i1t h LYS 15 Cb 0.44 0.20 0.01 0.00 -0.57 0.00 0.00 32.23 32.31 2i1t h LYS 15 CO 0.00 -0.57 0.47 -1.25 -2.06 0.00 0.00 179.45 176.04 2i1t s PRO 16 N -4.51 4.63 -0.22 3.15 0.04 -1.26 -4.97 135.00 131.86 2i1t s PRO 16 Ca -0.13 1.78 -0.29 0.00 0.04 0.00 0.00 61.00 62.40 2i1t s PRO 16 Cb 0.01 -3.21 -0.02 0.00 0.04 0.00 0.00 34.50 31.32 2i1t s PRO 16 CO 0.40 0.19 1.52 -1.25 0.04 0.00 0.00 177.00 177.89 2i1t s PRO 17 N -1.18 3.88 0.83 0.56 0.04 -1.26 -4.95 135.00 132.92 2i1t s PRO 17 Ca 0.46 1.60 -0.09 0.00 0.04 0.00 0.00 61.00 63.00 2i1t s PRO 17 Cb -0.31 -3.97 0.15 0.00 0.04 0.00 0.00 34.50 30.40 2i1t s PRO 17 CO 0.39 -1.18 1.15 0.00 0.04 0.00 0.00 177.00 177.41 2i1t n LYS 20 N -2.60 2.31 0.00 0.00 3.00 -1.26 -1.25 118.16 118.36 2i1t n LYS 20 Ca 0.05 0.84 0.00 0.00 -0.00 0.00 0.00 58.31 59.20 2i1t n LYS 20 Cb 0.58 -2.65 0.00 0.00 0.00 0.00 0.00 35.03 32.96 2i1t n LYS 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2i1t n GLY 21 N 3.83 3.28 3.71 3.14 0.00 -1.26 -5.04 105.19 112.86 2i1t n GLY 21 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 2i1t n GLY 21 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2i1t s TYR 22 N -2.92 3.44 0.14 1.61 1.51 -0.38 -2.42 117.35 118.33 2i1t s TYR 22 Ca 0.00 0.59 0.10 0.00 -1.01 0.00 0.00 57.07 56.76 2i1t s TYR 22 Cb 0.00 -2.38 -0.04 0.00 -0.11 0.00 0.00 41.96 39.43 2i1t s TYR 22 CO 0.00 0.18 -0.23 0.00 -1.11 0.00 0.00 175.55 174.40 2i1t s ALA 23 N 0.65 2.54 0.42 3.71 0.00 0.11 -4.47 121.76 124.72 2i1t s ALA 23 Ca 0.17 -1.45 -0.05 0.00 0.00 0.00 0.00 51.96 50.63 2i1t s ALA 23 Cb -0.13 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.46 2i1t s ALA 23 CO 0.05 0.54 0.70 0.00 0.00 0.00 0.00 175.76 177.05 2i1t s SER 25 N -3.86 2.45 0.19 0.00 0.01 0.13 -4.81 113.70 107.82 2i1t s SER 25 Ca 0.46 -0.55 -0.04 0.00 1.31 0.00 0.00 55.95 57.13 2i1t s SER 25 Cb -0.10 -0.57 0.12 0.00 0.21 0.00 0.00 66.02 65.68 2i1t s SER 25 CO 0.39 -0.26 1.53 0.50 0.41 0.00 0.00 173.24 175.81 2i1t h LYS 26 N 8.26 0.60 -0.73 12.44 3.64 -1.85 0.58 116.57 139.52 2i1t h LYS 26 Ca -0.18 -0.35 -0.01 0.00 -1.27 0.00 0.00 60.65 58.83 2i1t h LYS 26 Cb 1.12 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.94 2i1t h LYS 26 CO 0.32 0.96 0.40 1.15 -2.27 0.00 0.00 179.45 180.01 2i1t h THR 27 N 0.48 1.22 0.00 1.00 2.02 -1.95 -3.29 112.91 112.39 2i1t h THR 27 Ca 0.02 -0.55 -0.04 0.00 0.77 0.00 0.00 66.41 66.61 2i1t h THR 27 Cb 1.03 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 2i1t h THR 27 CO 0.10 0.24 -0.43 -0.50 0.37 0.00 0.00 175.52 175.30 2i1t h TRP 28 N 1.00 0.00 0.00 3.16 6.55 -1.95 -3.49 115.95 121.22 2i1t h TRP 28 Ca 0.26 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.10 2i1t h TRP 28 Cb 0.03 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.33 2i1t h TRP 28 CO -0.00 0.41 0.00 0.41 -1.05 0.00 0.00 178.44 178.20 2i1t n GLY 29 N 1.63 1.91 1.67 1.49 0.00 0.20 -5.08 105.19 107.01 2i1t n GLY 29 Ca -0.10 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.86 2i1t n GLY 29 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2i1t n TRP 30 N -0.18 -1.09 -4.46 1.61 2.14 -1.16 -2.11 117.44 112.20 2i1t n TRP 30 Ca 0.00 -1.08 -0.26 0.00 2.07 0.00 0.00 57.50 58.23 2i1t n TRP 30 Cb 0.00 0.31 -0.17 0.00 -0.81 0.00 0.00 31.31 30.64 2i1t n TRP 30 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2i1t s ALA 32 N 0.89 0.18 0.69 0.00 0.00 -0.25 -2.26 121.76 121.02 2i1t s ALA 32 Ca -0.10 -1.16 -0.17 0.00 0.00 0.00 0.00 51.96 50.53 2i1t s ALA 32 Cb -0.15 1.08 -0.00 0.00 0.00 0.00 0.00 23.12 24.05 2i1t s ALA 32 CO 0.01 -0.83 1.03 0.28 0.00 0.00 0.00 175.76 176.25 2i1t n VAL 33 N -0.46 3.35 -2.56 0.00 0.31 -1.26 0.09 118.33 117.80 2i1t n VAL 33 Ca -0.01 -0.41 -0.41 0.00 -0.01 0.00 0.00 64.34 63.50 2i1t n VAL 33 Cb 0.62 -1.18 -0.03 0.00 -0.91 0.00 0.00 33.84 32.34 2i1t n VAL 33 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2i1t s GLU 34 N -3.27 3.40 -0.05 5.55 -6.30 -1.02 -4.71 118.70 112.31 2i1t s GLU 34 Ca 0.76 -0.70 -0.22 0.00 -2.50 0.00 0.00 54.97 52.31 2i1t s GLU 34 Cb -0.36 -4.79 0.05 0.00 0.00 0.00 0.00 34.13 29.03 2i1t s GLU 34 CO 0.48 -2.18 0.49 0.00 0.02 0.00 0.00 175.26 174.07 2i1t s ALA 35 N 5.34 -1.26 -2.00 6.30 0.00 -1.26 -5.11 121.76 123.76 2i1t s ALA 35 Ca 0.41 0.87 0.19 0.00 0.00 0.00 0.00 51.96 53.42 2i1t s ALA 35 Cb -0.04 -0.05 1.14 0.00 0.00 0.00 0.00 23.12 24.18 2i1t s ALA 35 CO 0.02 -0.31 1.53 -0.35 0.00 0.00 0.00 175.76 176.66