#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 0.36 2.64 0.27 0.00 -1.26 -4.76 105.19 102.44 2i1t n GLY 2 Ca 0.00 -1.72 -0.09 0.00 0.00 0.00 0.00 46.02 44.21 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 1.14 -3.79 1.61 0.28 -1.26 -5.11 120.64 113.51 2i1t n GLU 3 Ca 0.00 -2.89 -0.11 0.00 -0.16 0.00 0.00 57.16 54.00 2i1t n GLU 3 Cb 0.00 -0.98 -0.08 0.00 1.43 0.00 0.00 31.44 31.81 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 0.61 0.63 0.00 0.00 0.00 -1.11 -4.71 105.19 100.62 2i1t n GLY 5 Ca -0.19 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.48 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 4.71 5.13 0.10 -0.02 0.00 -1.26 -4.49 105.19 109.36 2i1t n GLY 6 Ca 0.00 -1.10 -0.03 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.62 1.61 3.57 -1.98 -3.41 116.94 116.12 2i1t h PHE 7 Ca 0.00 0.00 -0.32 0.00 3.53 0.00 0.00 57.97 61.18 2i1t h PHE 7 Cb 0.00 0.00 -0.22 0.00 2.79 0.00 0.00 35.95 38.52 2i1t h PHE 7 CO 0.00 0.79 -0.68 1.87 -2.23 0.00 0.00 178.31 178.06 2i1t n TRP 8 N -3.50 -2.44 -2.95 0.41 -0.00 -1.23 -3.80 117.44 103.93 2i1t n TRP 8 Ca -0.00 -2.31 -0.20 0.00 -0.00 0.00 0.00 57.50 54.99 2i1t n TRP 8 Cb 0.79 0.98 0.05 0.00 -0.00 0.00 0.00 31.31 33.13 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 0.12 1.82 0.05 5.87 0.52 -0.86 -4.84 118.94 121.62 2i1t s TRP 9 Ca 0.33 -0.56 -0.19 0.00 0.02 0.00 0.00 56.10 55.70 2i1t s TRP 9 Cb 0.21 -2.38 -0.06 0.00 -1.15 0.00 0.00 33.47 30.09 2i1t s TRP 9 CO -0.21 -1.05 0.55 0.15 0.02 0.00 0.00 176.95 176.42 2i1t s LYS 10 N -4.66 4.19 0.12 4.98 3.01 -1.26 0.20 119.74 126.32 2i1t s LYS 10 Ca 0.61 0.69 -0.13 0.00 -1.01 0.00 0.00 55.97 56.13 2i1t s LYS 10 Cb -0.07 -3.26 0.02 0.00 -1.01 0.00 0.00 37.83 33.51 2i1t s LYS 10 CO 0.38 0.59 0.33 0.00 0.51 0.00 0.00 175.35 177.16 2i1t n GLY 12 N -0.18 0.66 1.87 0.00 0.00 -1.26 -3.63 105.19 102.65 2i1t n GLY 12 Ca -0.14 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.71 2i1t n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i1t n ARG 13 N 0.00 1.84 -0.87 1.61 5.12 -1.26 -2.23 116.66 120.87 2i1t n ARG 13 Ca 0.00 -1.72 0.00 0.00 -1.93 0.00 0.00 57.85 54.20 2i1t n ARG 13 Cb 0.00 -1.68 0.00 0.00 -1.16 0.00 0.00 32.46 29.62 2i1t n ARG 13 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2i1t n GLY 14 N 0.05 1.19 0.10 -0.13 0.00 -1.26 -4.98 105.19 100.17 2i1t n GLY 14 Ca 0.33 -0.31 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 2i1t n GLY 14 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2i1t h LYS 15 N 0.00 -0.14 -6.58 1.61 1.63 -1.95 -3.45 116.57 107.69 2i1t h LYS 15 Ca 0.00 0.01 -0.52 0.00 -0.85 0.00 0.00 60.65 59.29 2i1t h LYS 15 Cb 0.39 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.06 2i1t h LYS 15 CO 0.00 -0.01 0.51 -1.25 -3.45 0.00 0.00 179.45 175.25 2i1t s PRO 16 N -2.15 4.53 -0.51 1.90 0.04 -1.26 -4.96 135.00 132.59 2i1t s PRO 16 Ca -0.04 1.73 -0.28 0.00 0.04 0.00 0.00 61.00 62.46 2i1t s PRO 16 Cb 0.00 -3.31 -0.01 0.00 0.04 0.00 0.00 34.50 31.22 2i1t s PRO 16 CO 0.14 -0.06 1.68 -1.25 0.04 0.00 0.00 177.00 177.54 2i1t s PRO 17 N 0.22 3.09 0.88 0.56 0.04 -1.26 -4.96 135.00 133.56 2i1t s PRO 17 Ca 0.53 0.81 -0.12 0.00 0.04 0.00 0.00 61.00 62.26 2i1t s PRO 17 Cb -0.29 -4.23 0.12 0.00 0.04 0.00 0.00 34.50 30.14 2i1t s PRO 17 CO 0.33 -2.17 1.10 0.00 0.04 0.00 0.00 177.00 176.30 2i1t n LYS 20 N -2.77 1.83 0.00 0.00 4.81 -1.26 -1.04 118.16 119.73 2i1t n LYS 20 Ca 0.11 0.66 0.00 0.00 -0.87 0.00 0.00 58.31 58.21 2i1t n LYS 20 Cb 0.52 -2.40 0.00 0.00 0.02 0.00 0.00 35.03 33.17 2i1t n LYS 20 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2i1t n GLY 21 N 3.29 3.42 3.87 3.14 0.00 -1.26 -5.05 105.19 112.60 2i1t n GLY 21 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.76 3.42 0.01 1.61 2.02 -0.21 -3.13 117.35 118.32 2i1t s TYR 22 Ca 0.00 0.92 0.06 0.00 -0.37 0.00 0.00 57.07 57.69 2i1t s TYR 22 Cb 0.00 -2.31 -0.02 0.00 -0.40 0.00 0.00 41.96 39.23 2i1t s TYR 22 CO 0.00 0.20 -0.19 0.00 -1.57 0.00 0.00 175.55 173.98 2i1t s ALA 23 N -1.92 1.62 0.44 3.71 0.00 0.15 -4.78 121.76 120.98 2i1t s ALA 23 Ca 0.49 -0.92 -0.04 0.00 0.00 0.00 0.00 51.96 51.49 2i1t s ALA 23 Cb -0.11 -0.36 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 2i1t s ALA 23 CO 0.22 0.38 0.71 0.00 0.00 0.00 0.00 175.76 177.08 2i1t s SER 25 N -4.03 2.83 0.21 0.00 0.01 0.10 -4.89 113.70 107.93 2i1t s SER 25 Ca 0.45 -0.87 0.02 0.00 1.31 0.00 0.00 55.95 56.86 2i1t s SER 25 Cb -0.10 -0.36 0.16 0.00 0.21 0.00 0.00 66.02 65.92 2i1t s SER 25 CO 0.42 -0.37 1.50 0.07 0.41 0.00 0.00 173.24 175.26 2i1t h LYS 26 N 8.37 0.28 -0.30 12.44 5.09 -1.71 0.29 116.57 141.03 2i1t h LYS 26 Ca -0.16 -0.22 -0.13 0.00 0.09 0.00 0.00 60.65 60.23 2i1t h LYS 26 Cb 1.10 0.04 -0.01 0.00 0.10 0.00 0.00 32.23 33.46 2i1t h LYS 26 CO 0.35 0.85 -0.34 1.15 -2.09 0.00 0.00 179.45 179.37 2i1t h THR 27 N 0.20 1.29 0.20 0.07 2.02 -1.94 -3.21 112.91 111.53 2i1t h THR 27 Ca -0.02 -1.48 -0.35 0.00 0.77 0.00 0.00 66.41 65.34 2i1t h THR 27 Cb 1.22 1.42 0.02 0.00 -1.74 0.00 0.00 68.15 69.07 2i1t h THR 27 CO 0.11 0.48 -1.67 -0.50 0.37 0.00 0.00 175.52 174.30 2i1t h TRP 28 N 0.56 0.79 0.00 3.16 6.55 -1.94 -3.48 115.95 121.58 2i1t h TRP 28 Ca 0.06 -0.57 0.00 0.00 0.95 0.00 0.00 58.89 59.33 2i1t h TRP 28 Cb 0.85 -0.03 0.00 0.00 -0.86 0.00 0.00 29.16 29.12 2i1t h TRP 28 CO 0.04 1.65 0.00 0.41 -1.05 0.00 0.00 178.44 179.49 2i1t n GLY 29 N 1.82 1.11 3.58 1.49 0.00 0.98 -5.09 105.19 109.08 2i1t n GLY 29 Ca -0.23 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.67 2i1t n GLY 29 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2i1t s TRP 30 N -2.00 0.76 -0.09 1.61 -2.14 -1.01 -2.86 118.94 113.21 2i1t s TRP 30 Ca 0.00 -1.11 0.02 0.00 2.66 0.00 0.00 56.10 57.66 2i1t s TRP 30 Cb 0.00 0.18 0.01 0.00 -3.10 0.00 0.00 33.47 30.56 2i1t s TRP 30 CO 0.00 -1.24 -0.13 0.00 -2.66 0.00 0.00 176.95 172.92 2i1t s ALA 32 N 0.94 1.77 0.26 0.00 0.00 -0.45 -2.02 121.76 122.27 2i1t s ALA 32 Ca -0.08 -2.02 -0.30 0.00 0.00 0.00 0.00 51.96 49.56 2i1t s ALA 32 Cb -0.15 1.46 -0.09 0.00 0.00 0.00 0.00 23.12 24.34 2i1t s ALA 32 CO -0.00 -0.65 1.28 0.08 0.00 0.00 0.00 175.76 176.46 2i1t s VAL 33 N -3.55 3.07 -0.74 0.00 1.01 -1.25 0.31 120.40 119.25 2i1t s VAL 33 Ca 0.40 0.97 -0.03 0.00 0.00 0.00 0.00 61.98 63.32 2i1t s VAL 33 Cb 0.03 -3.62 0.18 0.00 0.00 0.00 0.00 36.38 32.97 2i1t s VAL 33 CO 0.25 0.19 2.42 -1.84 0.00 0.00 0.00 175.10 176.12 2i1t n GLU 34 N 1.74 3.07 -2.80 2.72 0.28 -1.18 -4.78 120.64 119.69 2i1t n GLU 34 Ca 0.03 -3.05 -0.42 0.00 -0.16 0.00 0.00 57.16 53.55 2i1t n GLU 34 Cb 0.43 -2.28 -0.04 0.00 1.43 0.00 0.00 31.44 30.99 2i1t n GLU 34 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2i1t s ALA 35 N -2.58 3.49 -2.00 -1.84 0.00 -1.26 -5.05 121.76 112.51 2i1t s ALA 35 Ca 0.54 -0.30 0.18 0.00 0.00 0.00 0.00 51.96 52.39 2i1t s ALA 35 Cb 0.36 -3.50 1.07 0.00 0.00 0.00 0.00 23.12 21.04 2i1t s ALA 35 CO -0.26 -1.41 1.47 -0.35 0.00 0.00 0.00 175.76 175.21