#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 -0.92 3.20 0.44 0.00 -1.26 -5.06 105.19 101.59 2i1t n GLY 2 Ca 0.00 0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 2.72 0.04 1.61 2.12 -1.26 -5.05 118.70 118.88 2i1t s GLU 3 Ca 0.00 -2.14 -0.00 0.00 0.36 0.00 0.00 54.97 53.19 2i1t s GLU 3 Cb 0.00 -3.97 -0.03 0.00 0.26 0.00 0.00 34.13 30.39 2i1t s GLU 3 CO 0.00 -1.21 -0.04 0.00 -0.54 0.00 0.00 175.26 173.48 2i1t n GLY 5 N 0.91 0.75 0.00 0.00 0.00 -1.15 -4.74 105.19 100.96 2i1t n GLY 5 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 4.89 0.09 -0.02 0.00 -1.26 -4.71 105.19 109.18 2i1t n GLY 6 Ca 0.00 -0.91 -0.03 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.89 1.61 3.57 -1.99 -3.42 116.94 115.81 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 -0.25 0.00 2.79 0.00 0.00 35.95 38.49 2i1t h PHE 7 CO 0.00 0.73 -0.77 1.87 -2.23 0.00 0.00 178.31 177.91 2i1t n TRP 8 N -3.06 -1.96 -3.59 0.41 -0.00 -1.19 -3.94 117.44 104.11 2i1t n TRP 8 Ca -0.08 -2.60 -0.23 0.00 -0.00 0.00 0.00 57.50 54.60 2i1t n TRP 8 Cb 0.89 0.71 -0.01 0.00 -0.00 0.00 0.00 31.31 32.89 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 -0.24 3.46 -0.09 5.87 0.52 -0.87 -4.80 118.94 122.79 2i1t s TRP 9 Ca 0.33 0.19 -0.20 0.00 0.02 0.00 0.00 56.10 56.44 2i1t s TRP 9 Cb 0.22 -1.79 -0.04 0.00 -1.15 0.00 0.00 33.47 30.71 2i1t s TRP 9 CO -0.17 0.22 0.55 0.15 0.02 0.00 0.00 176.95 177.72 2i1t s LYS 10 N -4.19 4.35 0.37 4.98 3.01 -1.26 0.15 119.74 127.14 2i1t s LYS 10 Ca 0.38 0.60 -0.06 0.00 -1.01 0.00 0.00 55.97 55.88 2i1t s LYS 10 Cb -0.09 -3.42 0.02 0.00 -1.01 0.00 0.00 37.83 33.33 2i1t s LYS 10 CO 0.33 0.17 0.58 0.00 0.51 0.00 0.00 175.35 176.95 2i1t n GLY 12 N -0.57 0.43 2.49 0.00 0.00 -1.26 -3.72 105.19 102.56 2i1t n GLY 12 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 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 3.16 -2.49 1.61 0.00 -1.26 -3.45 116.66 114.24 2i1t n ARG 13 Ca 0.00 -2.75 -0.02 0.00 -0.00 0.00 0.00 57.85 55.08 2i1t n ARG 13 Cb 0.00 -2.31 0.01 0.00 0.00 0.00 0.00 32.46 30.16 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 1.13 0.69 0.23 5.14 0.00 -1.26 -4.98 105.19 106.14 2i1t n GLY 14 Ca 0.53 -0.63 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.22 -0.49 -6.88 1.61 3.64 -1.94 -3.44 116.57 108.84 2i1t h LYS 15 Ca -0.06 0.03 -0.49 0.00 -1.27 0.00 0.00 60.65 58.87 2i1t h LYS 15 Cb 1.04 0.11 0.01 0.00 -0.41 0.00 0.00 32.23 32.98 2i1t h LYS 15 CO 0.06 -0.24 0.41 -1.25 -2.27 0.00 0.00 179.45 176.16 2i1t s PRO 16 N -3.60 4.45 -0.69 1.90 0.04 -1.26 -4.96 135.00 130.88 2i1t s PRO 16 Ca -0.10 1.55 -0.26 0.00 0.04 0.00 0.00 61.00 62.23 2i1t s PRO 16 Cb 0.01 -2.85 -0.00 0.00 0.04 0.00 0.00 34.50 31.70 2i1t s PRO 16 CO 0.33 0.11 1.64 -1.25 0.04 0.00 0.00 177.00 177.87 2i1t s PRO 17 N -1.99 2.86 1.19 0.56 0.04 -1.26 -4.97 135.00 131.43 2i1t s PRO 17 Ca 0.51 0.18 -0.19 0.00 0.04 0.00 0.00 61.00 61.55 2i1t s PRO 17 Cb -0.24 -4.39 0.28 0.00 0.04 0.00 0.00 34.50 30.19 2i1t s PRO 17 CO 0.31 -2.54 1.11 0.00 0.04 0.00 0.00 177.00 175.92 2i1t n LYS 20 N -2.76 2.30 0.00 0.00 4.81 -1.26 -0.99 118.16 120.26 2i1t n LYS 20 Ca 0.06 0.84 0.00 0.00 -0.87 0.00 0.00 58.31 58.34 2i1t n LYS 20 Cb 0.55 -2.71 0.00 0.00 0.02 0.00 0.00 35.03 32.90 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 4.40 1.71 3.69 3.14 0.00 -1.26 -5.07 105.19 111.80 2i1t n GLY 21 Ca 0.22 0.00 -0.35 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 -2.33 3.32 0.08 1.61 1.51 -0.16 -2.49 117.35 118.89 2i1t s TYR 22 Ca 0.00 0.19 0.09 0.00 -1.01 0.00 0.00 57.07 56.34 2i1t s TYR 22 Cb 0.00 -2.07 -0.04 0.00 -0.11 0.00 0.00 41.96 39.75 2i1t s TYR 22 CO 0.00 0.27 -0.21 0.00 -1.11 0.00 0.00 175.55 174.50 2i1t s ALA 23 N 0.14 2.53 0.43 3.71 0.00 0.69 -4.58 121.76 124.69 2i1t s ALA 23 Ca 0.06 -1.30 -0.04 0.00 0.00 0.00 0.00 51.96 50.68 2i1t s ALA 23 Cb -0.12 -0.61 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 2i1t s ALA 23 CO 0.00 0.57 0.71 0.00 0.00 0.00 0.00 175.76 177.04 2i1t s SER 25 N -3.96 2.39 0.19 0.00 0.01 0.99 -4.69 113.70 108.64 2i1t s SER 25 Ca 0.45 -0.44 -0.06 0.00 1.31 0.00 0.00 55.95 57.22 2i1t s SER 25 Cb -0.10 -0.81 0.10 0.00 0.21 0.00 0.00 66.02 65.41 2i1t s SER 25 CO 0.41 -0.16 1.53 0.50 0.41 0.00 0.00 173.24 175.93 2i1t h LYS 26 N 8.17 0.72 -0.25 12.44 3.64 -1.87 0.45 116.57 139.88 2i1t h LYS 26 Ca -0.26 -0.38 -0.19 0.00 -1.27 0.00 0.00 60.65 58.54 2i1t h LYS 26 Cb 1.12 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 2i1t h LYS 26 CO 0.39 1.00 -0.61 1.15 -2.27 0.00 0.00 179.45 179.11 2i1t h THR 27 N 0.59 1.28 0.02 1.00 2.02 -1.95 -3.31 112.91 112.56 2i1t h THR 27 Ca 0.05 -1.80 -0.04 0.00 0.77 0.00 0.00 66.41 65.39 2i1t h THR 27 Cb 0.96 1.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.09 2i1t h THR 27 CO 0.09 0.58 -0.18 -0.50 0.37 0.00 0.00 175.52 175.88 2i1t h TRP 28 N 0.63 0.13 0.00 3.16 6.55 -1.95 -3.48 115.95 120.99 2i1t h TRP 28 Ca -0.00 -0.09 0.00 0.00 0.95 0.00 0.00 58.89 59.75 2i1t h TRP 28 Cb 1.22 -0.01 0.00 0.00 -0.86 0.00 0.00 29.16 29.51 2i1t h TRP 28 CO 0.07 1.02 0.00 0.41 -1.05 0.00 0.00 178.44 178.90 2i1t n GLY 29 N 1.47 1.16 3.29 1.49 0.00 0.16 -5.06 105.19 107.71 2i1t n GLY 29 Ca -0.11 0.00 -0.13 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 -1.65 -1.58 -4.93 1.61 2.14 -1.19 -2.21 117.44 109.62 2i1t n TRP 30 Ca 0.00 -2.16 -0.29 0.00 2.07 0.00 0.00 57.50 57.13 2i1t n TRP 30 Cb 0.00 0.60 -0.17 0.00 -0.81 0.00 0.00 31.31 30.93 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 0.49 0.18 0.84 0.00 0.00 -0.37 -2.05 121.76 120.85 2i1t s ALA 32 Ca -0.17 -1.11 -0.12 0.00 0.00 0.00 0.00 51.96 50.55 2i1t s ALA 32 Cb -0.17 1.15 0.10 0.00 0.00 0.00 0.00 23.12 24.20 2i1t s ALA 32 CO 0.07 -0.76 1.19 0.08 0.00 0.00 0.00 175.76 176.33 2i1t s VAL 33 N -4.06 2.01 -0.40 0.00 1.01 -1.26 -0.22 120.40 117.49 2i1t s VAL 33 Ca 0.27 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.27 2i1t s VAL 33 Cb 0.02 -2.31 0.43 0.00 0.00 0.00 0.00 36.38 34.53 2i1t s VAL 33 CO 0.09 -0.00 1.83 -0.62 0.00 0.00 0.00 175.10 176.39 2i1t n GLU 34 N -3.56 2.07 0.00 2.72 -0.58 -1.04 -4.51 120.64 115.75 2i1t n GLU 34 Ca 0.13 -2.34 -0.13 0.00 -0.42 0.00 0.00 57.16 54.41 2i1t n GLU 34 Cb 0.51 -1.92 -0.10 0.00 -0.57 0.00 0.00 31.44 29.36 2i1t n GLU 34 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2i1t h ALA 35 N 1.45 -0.07 0.00 0.62 0.00 -1.90 -3.52 119.26 115.84 2i1t h ALA 35 Ca 0.47 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2i1t h ALA 35 Cb 1.78 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.59 2i1t h ALA 35 CO 0.98 -0.25 0.00 -0.35 0.00 0.00 0.00 179.25 179.63