#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i1t h GLY 2 N 0.00 -0.85 -7.51 0.27 0.00 -2.01 -3.39 103.07 89.59 2i1t h GLY 2 Ca 0.00 0.31 -0.70 0.00 0.00 0.00 0.00 47.33 46.94 2i1t h GLY 2 CO 0.00 -0.31 -0.53 -0.54 0.00 0.00 0.00 176.54 175.16 2i1t s GLU 3 N -4.99 2.36 0.08 4.80 8.01 -1.26 -5.07 118.70 122.64 2i1t s GLU 3 Ca -0.15 -1.56 -0.06 0.00 0.01 0.00 0.00 54.97 53.21 2i1t s GLU 3 Cb 0.02 -3.62 -0.01 0.00 -4.31 0.00 0.00 34.13 26.21 2i1t s GLU 3 CO 0.50 -0.95 0.13 0.00 0.01 0.00 0.00 175.26 174.95 2i1t n GLY 5 N -0.01 0.59 0.00 0.00 0.00 -1.12 -4.73 105.19 99.91 2i1t n GLY 5 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 4.19 0.10 -0.02 0.00 -1.26 -4.71 105.19 108.48 2i1t n GLY 6 Ca 0.00 -0.87 -0.13 0.00 0.00 0.00 0.00 46.02 45.02 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 0.25 -1.95 1.61 3.57 -2.01 -3.42 116.94 115.00 2i1t h PHE 7 Ca 0.00 -0.19 -0.52 0.00 3.53 0.00 0.00 57.97 60.79 2i1t h PHE 7 Cb 0.00 -0.01 -0.35 0.00 2.79 0.00 0.00 35.95 38.38 2i1t h PHE 7 CO 0.00 1.23 -0.97 1.87 -2.23 0.00 0.00 178.31 178.21 2i1t n TRP 8 N -3.33 -1.07 -3.65 0.41 -0.00 -1.23 -3.84 117.44 104.73 2i1t n TRP 8 Ca -0.14 -3.17 -0.20 0.00 -0.00 0.00 0.00 57.50 53.99 2i1t n TRP 8 Cb 1.02 0.18 -0.03 0.00 -0.00 0.00 0.00 31.31 32.49 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 -0.37 2.92 -0.00 5.87 0.52 -1.01 -4.85 118.94 122.02 2i1t s TRP 9 Ca 0.34 -0.32 -0.18 0.00 0.02 0.00 0.00 56.10 55.95 2i1t s TRP 9 Cb 0.11 -1.94 -0.06 0.00 -1.15 0.00 0.00 33.47 30.43 2i1t s TRP 9 CO -0.15 0.06 0.52 0.15 0.02 0.00 0.00 176.95 177.54 2i1t s LYS 10 N -4.08 4.19 0.27 4.98 3.01 -1.26 0.12 119.74 126.96 2i1t s LYS 10 Ca 0.44 0.60 -0.11 0.00 -1.01 0.00 0.00 55.97 55.90 2i1t s LYS 10 Cb -0.06 -3.30 -0.00 0.00 -1.01 0.00 0.00 37.83 33.45 2i1t s LYS 10 CO 0.28 0.49 0.47 0.00 0.51 0.00 0.00 175.35 177.10 2i1t n GLY 12 N -0.41 0.61 1.48 0.00 0.00 -1.26 -4.08 105.19 101.53 2i1t n GLY 12 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 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 2.46 0.00 1.61 0.00 -1.26 -2.88 116.66 116.59 2i1t n ARG 13 Ca 0.00 -1.72 0.00 0.00 -0.00 0.00 0.00 57.85 56.13 2i1t n ARG 13 Cb 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 32.46 30.66 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 -0.02 1.27 0.06 5.14 0.00 -1.26 -4.88 105.19 105.50 2i1t n GLY 14 Ca 0.24 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.20 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 -6.51 1.61 1.57 -1.95 -3.45 116.57 107.83 2i1t h LYS 15 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 2i1t h LYS 15 Cb 0.00 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.32 2i1t h LYS 15 CO 0.00 0.31 0.56 -1.25 -0.57 0.00 0.00 179.45 178.50 2i1t s PRO 16 N -1.89 4.44 -0.31 3.15 0.04 -1.26 -4.97 135.00 134.21 2i1t s PRO 16 Ca -0.09 1.79 -0.29 0.00 0.04 0.00 0.00 61.00 62.45 2i1t s PRO 16 Cb 0.00 -3.33 -0.01 0.00 0.04 0.00 0.00 34.50 31.21 2i1t s PRO 16 CO 0.24 -0.22 1.47 -1.25 0.04 0.00 0.00 177.00 177.28 2i1t s PRO 17 N 0.84 3.73 0.80 0.56 0.04 -1.26 -4.94 135.00 134.76 2i1t s PRO 17 Ca 0.58 1.29 -0.09 0.00 0.04 0.00 0.00 61.00 62.82 2i1t s PRO 17 Cb -0.30 -3.99 0.18 0.00 0.04 0.00 0.00 34.50 30.42 2i1t s PRO 17 CO 0.30 -1.37 1.10 0.00 0.04 0.00 0.00 177.00 177.07 2i1t n LYS 20 N -1.35 1.90 0.00 0.00 4.81 -1.26 -1.64 118.16 120.62 2i1t n LYS 20 Ca 0.09 0.63 0.00 0.00 -0.87 0.00 0.00 58.31 58.16 2i1t n LYS 20 Cb 0.53 -2.74 0.00 0.00 0.02 0.00 0.00 35.03 32.83 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 5.20 1.66 3.89 3.14 0.00 -1.26 -5.10 105.19 112.73 2i1t n GLY 21 Ca 0.28 -0.41 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.50 3.46 0.10 1.61 2.02 -0.65 -4.18 117.35 119.20 2i1t s TYR 22 Ca 0.00 0.61 0.08 0.00 -0.37 0.00 0.00 57.07 57.39 2i1t s TYR 22 Cb 0.00 -2.05 -0.03 0.00 -0.40 0.00 0.00 41.96 39.48 2i1t s TYR 22 CO 0.00 0.40 -0.20 0.00 -1.57 0.00 0.00 175.55 174.19 2i1t s ALA 23 N -1.69 1.68 0.41 3.71 0.00 0.14 -4.70 121.76 121.32 2i1t s ALA 23 Ca 0.42 -1.20 -0.05 0.00 0.00 0.00 0.00 51.96 51.13 2i1t s ALA 23 Cb -0.12 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 2i1t s ALA 23 CO 0.24 0.32 0.71 0.00 0.00 0.00 0.00 175.76 177.03 2i1t s SER 25 N -3.78 -0.01 -0.10 0.00 0.01 0.87 -4.73 113.70 105.96 2i1t s SER 25 Ca 0.46 0.14 -0.18 0.00 1.31 0.00 0.00 55.95 57.69 2i1t s SER 25 Cb -0.10 0.05 -0.28 0.00 0.21 0.00 0.00 66.02 65.90 2i1t s SER 25 CO 0.39 -0.12 0.62 0.50 0.41 0.00 0.00 173.24 175.03 2i1t h LYS 26 N 7.08 0.23 -0.91 12.44 1.63 -1.82 0.43 116.57 135.66 2i1t h LYS 26 Ca -0.42 -0.40 0.03 0.00 -0.85 0.00 0.00 60.65 59.02 2i1t h LYS 26 Cb 1.14 0.15 -0.05 0.00 -0.60 0.00 0.00 32.23 32.87 2i1t h LYS 26 CO 0.46 1.19 0.60 1.15 -3.45 0.00 0.00 179.45 179.40 2i1t h THR 27 N -0.38 1.18 0.20 1.00 2.02 -1.96 -2.69 112.91 112.27 2i1t h THR 27 Ca -0.26 -0.40 -0.30 0.00 0.77 0.00 0.00 66.41 66.22 2i1t h THR 27 Cb 1.68 -0.09 0.02 0.00 -1.74 0.00 0.00 68.15 68.02 2i1t h THR 27 CO 0.06 0.21 -1.37 -0.50 0.37 0.00 0.00 175.52 174.29 2i1t h TRP 28 N 1.17 0.76 0.00 3.16 6.55 -1.97 -3.48 115.95 122.15 2i1t h TRP 28 Ca 0.35 -0.56 0.00 0.00 0.95 0.00 0.00 58.89 59.64 2i1t h TRP 28 Cb -0.03 -0.03 0.00 0.00 -0.86 0.00 0.00 29.16 28.24 2i1t h TRP 28 CO -0.00 1.53 0.00 0.41 -1.05 0.00 0.00 178.44 179.33 2i1t n GLY 29 N 1.74 0.84 3.57 1.49 0.00 0.11 -5.07 105.19 107.88 2i1t n GLY 29 Ca -0.19 -0.20 -0.13 0.00 0.00 0.00 0.00 46.02 45.50 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 0.81 -0.17 1.61 -2.14 -1.01 -2.97 118.94 113.07 2i1t s TRP 30 Ca 0.00 -1.15 0.01 0.00 2.66 0.00 0.00 56.10 57.61 2i1t s TRP 30 Cb 0.00 0.16 0.03 0.00 -3.10 0.00 0.00 33.47 30.55 2i1t s TRP 30 CO 0.00 -1.24 -0.15 0.00 -2.66 0.00 0.00 176.95 172.90 2i1t s ALA 32 N 1.42 0.50 -0.03 0.00 0.00 0.07 -2.40 121.76 121.32 2i1t s ALA 32 Ca 0.04 -1.38 -0.30 0.00 0.00 0.00 0.00 51.96 50.32 2i1t s ALA 32 Cb -0.13 1.07 -0.08 0.00 0.00 0.00 0.00 23.12 23.97 2i1t s ALA 32 CO -0.11 -0.83 2.03 0.28 0.00 0.00 0.00 175.76 177.13 2i1t n VAL 33 N -0.56 0.67 -1.82 0.00 0.31 -1.26 0.27 118.33 115.95 2i1t n VAL 33 Ca -0.01 -0.20 -0.42 0.00 -0.01 0.00 0.00 64.34 63.69 2i1t n VAL 33 Cb 0.61 -2.34 -0.03 0.00 -0.91 0.00 0.00 33.84 31.18 2i1t n VAL 33 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2i1t s GLU 34 N 4.85 3.80 -0.29 5.55 -1.05 -1.26 -3.92 118.70 126.38 2i1t s GLU 34 Ca 0.92 2.15 -0.08 0.00 -0.15 0.00 0.00 54.97 57.81 2i1t s GLU 34 Cb -0.44 -4.16 0.01 0.00 -0.44 0.00 0.00 34.13 29.11 2i1t s GLU 34 CO 0.41 -1.32 0.21 0.00 0.95 0.00 0.00 175.26 175.51 2i1t n ALA 35 N 8.78 -2.97 1.14 -0.84 0.00 -1.26 -5.04 120.51 120.32 2i1t n ALA 35 Ca 0.22 0.55 0.09 0.00 0.00 0.00 0.00 53.44 54.30 2i1t n ALA 35 Cb 0.43 -1.71 0.54 0.00 0.00 0.00 0.00 19.45 18.71 2i1t n ALA 35 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15