#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 -0.76 0.00 0.27 0.00 -1.26 -4.77 105.19 98.67 2i1t n GLY 2 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.91 2i1t n GLY 2 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2i1t n GLU 3 N 1.48 0.68 -3.24 1.61 2.13 -1.26 -4.71 120.64 117.34 2i1t n GLU 3 Ca 0.00 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.50 2i1t n GLU 3 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.66 2i1t n GLU 3 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2i1t n GLY 5 N -0.43 0.35 0.00 0.00 0.00 -1.18 -4.65 105.19 99.28 2i1t n GLY 5 Ca 0.02 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.62 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 4.30 5.66 0.10 -0.02 0.00 -1.26 -4.35 105.19 109.63 2i1t n GLY 6 Ca 0.00 -0.90 0.12 0.00 0.00 0.00 0.00 46.02 45.24 2i1t n GLY 6 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2i1t n PHE 7 N 0.00 0.88 -2.73 1.61 3.01 -1.26 -4.65 117.46 114.32 2i1t n PHE 7 Ca 0.00 0.26 -0.08 0.00 1.01 0.00 0.00 57.45 58.64 2i1t n PHE 7 Cb 0.00 -0.90 0.07 0.00 -0.01 0.00 0.00 39.48 38.64 2i1t n PHE 7 CO 0.00 0.00 0.00 1.87 1.01 0.00 0.00 176.76 179.64 2i1t n TRP 8 N -2.58 -2.83 -3.49 1.38 -0.00 -1.16 -3.66 117.44 105.10 2i1t n TRP 8 Ca 0.00 -1.81 -0.22 0.00 -0.00 0.00 0.00 57.50 55.48 2i1t n TRP 8 Cb 0.53 1.55 -0.01 0.00 -0.00 0.00 0.00 31.31 33.39 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 0.44 3.33 -0.04 5.87 0.52 -0.75 -4.81 118.94 123.50 2i1t s TRP 9 Ca 0.27 0.08 -0.18 0.00 0.02 0.00 0.00 56.10 56.28 2i1t s TRP 9 Cb 0.26 -1.91 -0.05 0.00 -1.15 0.00 0.00 33.47 30.62 2i1t s TRP 9 CO -0.15 0.08 0.52 0.15 0.02 0.00 0.00 176.95 177.57 2i1t s LYS 10 N -4.23 4.24 0.24 4.98 3.01 -1.26 0.14 119.74 126.85 2i1t s LYS 10 Ca 0.41 0.57 -0.12 0.00 -1.01 0.00 0.00 55.97 55.82 2i1t s LYS 10 Cb -0.09 -3.35 -0.01 0.00 -1.01 0.00 0.00 37.83 33.37 2i1t s LYS 10 CO 0.33 0.37 0.45 0.00 0.51 0.00 0.00 175.35 177.01 2i1t n GLY 12 N -0.37 0.82 2.48 0.00 0.00 -1.26 -3.83 105.19 103.03 2i1t n GLY 12 Ca -0.01 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 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 3.51 -2.32 1.61 0.00 -1.26 -3.86 116.66 114.34 2i1t n ARG 13 Ca 0.00 -2.91 -0.01 0.00 -0.00 0.00 0.00 57.85 54.93 2i1t n ARG 13 Cb 0.00 -2.39 0.00 0.00 0.00 0.00 0.00 32.46 30.08 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 1.30 0.61 0.13 5.14 0.00 -1.26 -4.94 105.19 106.17 2i1t n GLY 14 Ca 0.56 -0.72 -0.04 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.10 -0.23 -6.85 1.61 1.57 -1.94 -3.45 116.57 107.17 2i1t h LYS 15 Ca -0.04 0.02 -0.50 0.00 -1.87 0.00 0.00 60.65 58.26 2i1t h LYS 15 Cb 1.02 0.05 0.03 0.00 0.08 0.00 0.00 32.23 33.41 2i1t h LYS 15 CO 0.04 -0.15 0.49 -1.25 -0.57 0.00 0.00 179.45 178.00 2i1t s PRO 16 N -2.33 4.47 -0.55 3.15 0.04 -1.26 -4.95 135.00 133.57 2i1t s PRO 16 Ca -0.04 1.81 -0.27 0.00 0.04 0.00 0.00 61.00 62.54 2i1t s PRO 16 Cb 0.00 -3.02 -0.01 0.00 0.04 0.00 0.00 34.50 31.51 2i1t s PRO 16 CO 0.11 0.05 1.70 -1.25 0.04 0.00 0.00 177.00 177.65 2i1t s PRO 17 N -1.74 2.97 0.80 0.56 0.04 -1.26 -4.97 135.00 131.41 2i1t s PRO 17 Ca 0.48 0.68 -0.11 0.00 0.04 0.00 0.00 61.00 62.09 2i1t s PRO 17 Cb -0.31 -4.27 0.07 0.00 0.04 0.00 0.00 34.50 30.03 2i1t s PRO 17 CO 0.40 -2.32 1.09 0.00 0.04 0.00 0.00 177.00 176.21 2i1t n LYS 20 N -1.44 1.78 0.00 0.00 3.00 -1.26 -1.48 118.16 118.76 2i1t n LYS 20 Ca 0.13 0.65 0.00 0.00 -0.00 0.00 0.00 58.31 59.08 2i1t n LYS 20 Cb 0.48 -2.39 0.00 0.00 0.00 0.00 0.00 35.03 33.12 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 3.58 1.88 3.91 3.14 0.00 -1.26 -5.07 105.19 111.36 2i1t n GLY 21 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.10 3.48 0.05 1.61 2.02 -0.55 -3.18 117.35 118.68 2i1t s TYR 22 Ca 0.00 0.49 0.06 0.00 -0.37 0.00 0.00 57.07 57.25 2i1t s TYR 22 Cb 0.00 -1.97 -0.03 0.00 -0.40 0.00 0.00 41.96 39.57 2i1t s TYR 22 CO 0.00 0.35 -0.16 0.00 -1.57 0.00 0.00 175.55 174.17 2i1t s ALA 23 N -1.84 1.33 0.41 3.71 0.00 0.04 -4.73 121.76 120.68 2i1t s ALA 23 Ca 0.41 -0.95 -0.01 0.00 0.00 0.00 0.00 51.96 51.41 2i1t s ALA 23 Cb -0.11 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.78 2i1t s ALA 23 CO 0.27 0.25 0.65 0.00 0.00 0.00 0.00 175.76 176.94 2i1t s SER 25 N -4.10 1.35 0.07 0.00 0.01 0.88 -4.77 113.70 107.14 2i1t s SER 25 Ca 0.44 -0.07 -0.16 0.00 1.31 0.00 0.00 55.95 57.47 2i1t s SER 25 Cb -0.10 -0.40 -0.18 0.00 0.21 0.00 0.00 66.02 65.56 2i1t s SER 25 CO 0.39 -0.17 1.25 0.50 0.41 0.00 0.00 173.24 175.62 2i1t h LYS 26 N 8.07 0.64 -0.80 12.44 3.64 -1.86 0.49 116.57 139.17 2i1t h LYS 26 Ca -0.24 -0.53 -0.05 0.00 -1.27 0.00 0.00 60.65 58.56 2i1t h LYS 26 Cb 1.13 0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 33.03 2i1t h LYS 26 CO 0.30 1.15 0.32 1.15 -2.27 0.00 0.00 179.45 180.10 2i1t h THR 27 N 0.29 1.26 0.10 1.00 2.02 -1.95 -3.13 112.91 112.50 2i1t h THR 27 Ca -0.05 -0.83 -0.14 0.00 0.77 0.00 0.00 66.41 66.16 2i1t h THR 27 Cb 1.29 0.31 0.01 0.00 -1.74 0.00 0.00 68.15 68.02 2i1t h THR 27 CO 0.13 0.34 -0.60 -0.50 0.37 0.00 0.00 175.52 175.26 2i1t h TRP 28 N 1.17 0.39 0.00 3.16 6.55 -1.97 -3.48 115.95 121.77 2i1t h TRP 28 Ca 0.27 -0.28 0.00 0.00 0.95 0.00 0.00 58.89 59.82 2i1t h TRP 28 Cb 0.22 -0.02 0.00 0.00 -0.86 0.00 0.00 29.16 28.51 2i1t h TRP 28 CO 0.02 1.23 0.00 0.41 -1.05 0.00 0.00 178.44 179.05 2i1t n GLY 29 N 1.65 0.99 2.34 1.49 0.00 0.17 -5.06 105.19 106.78 2i1t n GLY 29 Ca -0.13 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.01 -1.32 -4.41 1.61 2.14 -1.12 -2.47 117.44 109.86 2i1t n TRP 30 Ca 0.00 -1.51 -0.28 0.00 2.07 0.00 0.00 57.50 57.78 2i1t n TRP 30 Cb 0.00 0.43 -0.17 0.00 -0.81 0.00 0.00 31.31 30.77 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 1.02 2.08 0.41 0.00 0.00 -0.69 -1.82 121.76 122.76 2i1t s ALA 32 Ca -0.07 -1.72 -0.24 0.00 0.00 0.00 0.00 51.96 49.93 2i1t s ALA 32 Cb -0.15 1.07 -0.09 0.00 0.00 0.00 0.00 23.12 23.95 2i1t s ALA 32 CO -0.01 -0.47 1.04 0.08 0.00 0.00 0.00 175.76 176.39 2i1t s VAL 33 N -3.55 3.76 0.52 0.00 1.01 -1.24 -0.78 120.40 120.11 2i1t s VAL 33 Ca 0.34 1.32 -0.19 0.00 0.00 0.00 0.00 61.98 63.45 2i1t s VAL 33 Cb 0.05 -3.67 -0.07 0.00 0.00 0.00 0.00 36.38 32.70 2i1t s VAL 33 CO 0.17 -0.02 1.05 -1.61 0.00 0.00 0.00 175.10 174.68 2i1t s GLU 34 N -2.57 3.65 -0.16 2.72 0.41 -1.19 -4.85 118.70 116.71 2i1t s GLU 34 Ca 0.59 1.32 -0.29 0.00 -0.41 0.00 0.00 54.97 56.17 2i1t s GLU 34 Cb -0.21 -2.07 -0.04 0.00 -1.78 0.00 0.00 34.13 30.02 2i1t s GLU 34 CO 0.26 -0.55 1.73 0.00 -0.49 0.00 0.00 175.26 176.21 2i1t s ALA 35 N -2.12 3.30 -2.00 5.21 0.00 -1.26 -5.07 121.76 119.82 2i1t s ALA 35 Ca 0.66 0.68 0.24 0.00 0.00 0.00 0.00 51.96 53.54 2i1t s ALA 35 Cb -0.16 -3.86 1.44 0.00 0.00 0.00 0.00 23.12 20.54 2i1t s ALA 35 CO 0.25 -1.91 1.81 -0.35 0.00 0.00 0.00 175.76 175.56