#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 4.07 3.56 0.44 0.00 -1.26 -5.05 105.19 106.95 2i1t n GLY 2 Ca 0.00 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.68 2i1t n GLY 2 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2i1t s GLU 3 N -2.90 3.09 0.07 1.61 2.12 -1.26 -4.96 118.70 116.46 2i1t s GLU 3 Ca 0.00 0.10 0.00 0.00 0.36 0.00 0.00 54.97 55.44 2i1t s GLU 3 Cb 0.00 -4.21 -0.04 0.00 0.26 0.00 0.00 34.13 30.14 2i1t s GLU 3 CO 0.00 -2.24 -0.05 0.00 -0.54 0.00 0.00 175.26 172.44 2i1t n GLY 5 N 0.07 1.04 0.00 0.00 0.00 -1.17 -4.70 105.19 100.43 2i1t n GLY 5 Ca -0.13 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 4.94 0.12 -0.02 0.00 -1.26 -4.55 105.19 109.42 2i1t n GLY 6 Ca 0.00 -1.01 0.03 0.00 0.00 0.00 0.00 46.02 45.04 2i1t n GLY 6 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2i1t h PHE 7 N 0.00 0.00 -1.06 1.61 3.57 -1.97 -3.41 116.94 115.68 2i1t h PHE 7 Ca 0.00 0.00 -0.37 0.00 3.53 0.00 0.00 57.97 61.13 2i1t h PHE 7 Cb 0.00 0.00 -0.28 0.00 2.79 0.00 0.00 35.95 38.46 2i1t h PHE 7 CO 0.00 0.44 -0.84 -2.67 -2.23 0.00 0.00 178.31 173.01 2i1t n TRP 8 N -3.01 -1.32 -3.49 0.41 4.27 -1.14 -3.86 117.44 109.30 2i1t n TRP 8 Ca -0.03 -2.99 -0.28 0.00 -3.89 0.00 0.00 57.50 50.31 2i1t n TRP 8 Cb 0.74 0.55 -0.03 0.00 -1.36 0.00 0.00 31.31 31.21 2i1t n TRP 8 CO 0.00 0.00 0.00 -1.58 -2.29 0.00 0.00 177.69 173.82 2i1t s TRP 9 N -1.07 3.48 -0.04 -2.67 0.52 -0.98 -4.78 118.94 113.40 2i1t s TRP 9 Ca 0.32 0.51 -0.21 0.00 0.02 0.00 0.00 56.10 56.74 2i1t s TRP 9 Cb 0.31 -1.99 -0.05 0.00 -1.15 0.00 0.00 33.47 30.59 2i1t s TRP 9 CO -0.08 0.26 0.60 0.15 0.02 0.00 0.00 176.95 177.90 2i1t s LYS 10 N -3.47 4.35 0.29 4.98 1.02 -1.26 0.18 119.74 125.83 2i1t s LYS 10 Ca 0.42 0.71 -0.09 0.00 0.02 0.00 0.00 55.97 57.03 2i1t s LYS 10 Cb -0.11 -3.39 0.00 0.00 -0.52 0.00 0.00 37.83 33.82 2i1t s LYS 10 CO 0.30 0.25 0.49 0.00 -0.92 0.00 0.00 175.35 175.47 2i1t n GLY 12 N -0.45 0.86 2.48 0.00 0.00 -1.26 -3.94 105.19 102.88 2i1t n GLY 12 Ca -0.01 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.37 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 3.32 -1.86 1.61 0.63 -1.26 -3.95 116.66 115.15 2i1t n ARG 13 Ca 0.00 -2.81 0.00 0.00 -0.92 0.00 0.00 57.85 54.12 2i1t n ARG 13 Cb 0.00 -2.34 0.00 0.00 0.45 0.00 0.00 32.46 30.57 2i1t n ARG 13 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2i1t n GLY 14 N 1.22 0.91 0.05 5.14 0.00 -1.26 -4.96 105.19 106.29 2i1t n GLY 14 Ca 0.54 -0.50 -0.01 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 -6.80 1.61 1.79 -1.94 -3.46 116.57 107.78 2i1t h LYS 15 Ca 0.00 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 57.97 2i1t h LYS 15 Cb 0.76 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.41 2i1t h LYS 15 CO 0.00 0.00 0.43 -1.25 -1.08 0.00 0.00 179.45 177.55 2i1t s PRO 16 N -1.60 4.69 -0.29 3.15 0.04 -1.26 -4.98 135.00 134.75 2i1t s PRO 16 Ca -0.02 1.67 -0.29 0.00 0.04 0.00 0.00 61.00 62.40 2i1t s PRO 16 Cb 0.00 -3.17 -0.01 0.00 0.04 0.00 0.00 34.50 31.36 2i1t s PRO 16 CO 0.03 0.30 1.49 -1.25 0.04 0.00 0.00 177.00 177.61 2i1t s PRO 17 N -1.43 3.77 0.86 0.56 0.04 -1.26 -4.98 135.00 132.56 2i1t s PRO 17 Ca 0.44 1.39 -0.11 0.00 0.04 0.00 0.00 61.00 62.76 2i1t s PRO 17 Cb -0.29 -3.99 0.16 0.00 0.04 0.00 0.00 34.50 30.41 2i1t s PRO 17 CO 0.37 -1.32 1.20 0.00 0.04 0.00 0.00 177.00 177.29 2i1t n LYS 20 N -1.63 1.72 0.00 0.00 2.85 -1.26 -0.55 118.16 119.30 2i1t n LYS 20 Ca 0.10 0.63 0.00 0.00 -1.05 0.00 0.00 58.31 57.99 2i1t n LYS 20 Cb 0.52 -2.38 0.00 0.00 -0.65 0.00 0.00 35.03 32.52 2i1t n LYS 20 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2i1t n GLY 21 N 3.80 2.81 3.79 2.58 0.00 -1.26 -5.06 105.19 111.85 2i1t n GLY 21 Ca 0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.65 3.69 0.12 1.61 1.51 0.29 -2.69 117.35 119.24 2i1t s TYR 22 Ca 0.00 1.08 0.10 0.00 -1.01 0.00 0.00 57.07 57.24 2i1t s TYR 22 Cb 0.00 -2.46 -0.04 0.00 -0.11 0.00 0.00 41.96 39.35 2i1t s TYR 22 CO 0.00 0.47 -0.25 0.00 -1.11 0.00 0.00 175.55 174.65 2i1t s ALA 23 N -0.53 2.23 0.48 3.71 0.00 0.10 -4.61 121.76 123.15 2i1t s ALA 23 Ca 0.27 -1.41 -0.03 0.00 0.00 0.00 0.00 51.96 50.79 2i1t s ALA 23 Cb -0.17 -0.34 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 2i1t s ALA 23 CO 0.15 0.49 0.76 0.00 0.00 0.00 0.00 175.76 177.16 2i1t s SER 25 N -4.18 1.40 0.14 0.00 0.15 0.15 -4.74 113.70 106.61 2i1t s SER 25 Ca 0.48 -0.03 -0.05 0.00 0.70 0.00 0.00 55.95 57.06 2i1t s SER 25 Cb -0.10 -0.33 -0.05 0.00 -1.71 0.00 0.00 66.02 63.83 2i1t s SER 25 CO 0.42 -0.21 1.35 0.50 1.20 0.00 0.00 173.24 176.50 2i1t h LYS 26 N 8.33 0.49 -0.49 5.44 1.63 -1.86 0.52 116.57 130.63 2i1t h LYS 26 Ca -0.18 -0.45 -0.05 0.00 -0.85 0.00 0.00 60.65 59.13 2i1t h LYS 26 Cb 1.12 0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.84 2i1t h LYS 26 CO 0.23 1.09 0.12 1.15 -3.45 0.00 0.00 179.45 178.59 2i1t h THR 27 N 0.31 1.24 0.07 1.00 2.02 -1.95 -3.24 112.91 112.36 2i1t h THR 27 Ca -0.06 -0.82 -0.14 0.00 0.77 0.00 0.00 66.41 66.16 2i1t h THR 27 Cb 1.44 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 68.70 2i1t h THR 27 CO 0.15 0.30 -0.65 -0.50 0.37 0.00 0.00 175.52 175.19 2i1t h TRP 28 N 0.66 0.28 0.00 3.16 6.55 -1.98 -3.48 115.95 121.14 2i1t h TRP 28 Ca 0.15 -0.20 0.00 0.00 0.95 0.00 0.00 58.89 59.79 2i1t h TRP 28 Cb 0.32 -0.01 0.00 0.00 -0.86 0.00 0.00 29.16 28.61 2i1t h TRP 28 CO 0.02 1.25 0.00 0.41 -1.05 0.00 0.00 178.44 179.07 2i1t n GLY 29 N 1.64 1.17 2.02 1.49 0.00 0.18 -5.07 105.19 106.61 2i1t n GLY 29 Ca -0.16 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.63 -1.18 -5.04 1.61 2.14 -1.12 -2.33 117.44 109.90 2i1t n TRP 30 Ca 0.00 -1.32 -0.30 0.00 2.07 0.00 0.00 57.50 57.95 2i1t n TRP 30 Cb 0.00 0.37 -0.17 0.00 -0.81 0.00 0.00 31.31 30.70 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 0.35 1.06 0.39 0.00 0.00 -0.21 -2.31 121.76 121.05 2i1t s ALA 32 Ca -0.15 -1.64 -0.26 0.00 0.00 0.00 0.00 51.96 49.90 2i1t s ALA 32 Cb -0.17 1.32 -0.09 0.00 0.00 0.00 0.00 23.12 24.18 2i1t s ALA 32 CO 0.07 -0.69 1.25 0.08 0.00 0.00 0.00 175.76 176.46 2i1t s VAL 33 N -3.69 2.86 -0.31 0.00 1.01 -1.26 0.02 120.40 119.03 2i1t s VAL 33 Ca 0.35 0.77 -0.29 0.00 0.00 0.00 0.00 61.98 62.82 2i1t s VAL 33 Cb 0.03 -3.45 -0.01 0.00 0.00 0.00 0.00 36.38 32.95 2i1t s VAL 33 CO 0.18 0.11 1.53 -1.61 0.00 0.00 0.00 175.10 175.31 2i1t s GLU 34 N -2.15 3.68 -0.05 2.72 2.02 -1.09 -4.80 118.70 119.02 2i1t s GLU 34 Ca 0.55 1.33 0.00 0.00 0.02 0.00 0.00 54.97 56.88 2i1t s GLU 34 Cb -0.35 -4.03 0.02 0.00 0.10 0.00 0.00 34.13 29.87 2i1t s GLU 34 CO 0.45 -1.43 -0.03 0.00 0.02 0.00 0.00 175.26 174.27 2i1t s ALA 35 N 5.39 0.64 -2.00 5.21 0.00 -1.26 -5.09 121.76 124.65 2i1t s ALA 35 Ca 0.67 -0.05 0.20 0.00 0.00 0.00 0.00 51.96 52.79 2i1t s ALA 35 Cb -0.20 -0.48 1.22 0.00 0.00 0.00 0.00 23.12 23.66 2i1t s ALA 35 CO 0.30 -0.12 1.60 -0.35 0.00 0.00 0.00 175.76 177.19