#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i1t s GLY 2 N 0.00 2.05 0.09 6.12 0.00 -1.26 -5.05 107.32 109.27 2i1t s GLY 2 Ca 0.00 -2.26 -0.31 0.00 0.00 0.00 0.00 44.72 42.15 2i1t s GLY 2 CO 0.00 1.09 1.25 -0.54 0.00 0.00 0.00 173.10 174.90 2i1t s GLU 3 N 1.58 4.41 0.12 2.90 2.02 -1.26 -5.03 118.70 123.44 2i1t s GLU 3 Ca 0.04 1.86 0.02 0.00 0.02 0.00 0.00 54.97 56.91 2i1t s GLU 3 Cb -0.26 -3.31 -0.04 0.00 0.10 0.00 0.00 34.13 30.62 2i1t s GLU 3 CO 0.05 -0.29 -0.06 0.00 0.02 0.00 0.00 175.26 174.98 2i1t n GLY 5 N -0.11 0.54 0.00 0.00 0.00 -1.16 -4.71 105.19 99.76 2i1t n GLY 5 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 4.23 0.14 -0.02 0.00 -1.26 -4.64 105.19 108.64 2i1t n GLY 6 Ca 0.00 -0.93 -0.16 0.00 0.00 0.00 0.00 46.02 44.93 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 0.63 -2.06 1.61 3.04 -2.00 -3.41 116.94 114.75 2i1t h PHE 7 Ca 0.00 -0.40 -0.52 0.00 3.98 0.00 0.00 57.97 61.03 2i1t h PHE 7 Cb 0.00 -0.05 -0.35 0.00 2.56 0.00 0.00 35.95 38.11 2i1t h PHE 7 CO 0.00 1.26 -0.94 1.87 -2.02 0.00 0.00 178.31 178.48 2i1t n TRP 8 N -3.67 -1.22 -4.09 0.41 -0.00 -1.23 -3.87 117.44 103.77 2i1t n TRP 8 Ca -0.09 -3.10 -0.25 0.00 -0.00 0.00 0.00 57.50 54.07 2i1t n TRP 8 Cb 0.93 0.31 -0.05 0.00 -0.00 0.00 0.00 31.31 32.51 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 -0.09 3.14 -0.06 5.87 0.52 -0.99 -4.87 118.94 122.46 2i1t s TRP 9 Ca 0.33 -0.05 -0.20 0.00 0.02 0.00 0.00 56.10 56.20 2i1t s TRP 9 Cb 0.07 -1.48 -0.05 0.00 -1.15 0.00 0.00 33.47 30.87 2i1t s TRP 9 CO -0.17 0.52 0.57 0.15 0.02 0.00 0.00 176.95 178.05 2i1t s LYS 10 N -3.36 4.34 0.21 4.98 3.01 -1.26 0.10 119.74 127.77 2i1t s LYS 10 Ca 0.32 0.66 -0.12 0.00 -1.01 0.00 0.00 55.97 55.82 2i1t s LYS 10 Cb -0.09 -3.40 -0.00 0.00 -1.01 0.00 0.00 37.83 33.33 2i1t s LYS 10 CO 0.24 0.23 0.42 0.00 0.51 0.00 0.00 175.35 176.75 2i1t n GLY 12 N -0.33 0.85 1.47 0.00 0.00 -1.26 -3.79 105.19 102.12 2i1t n GLY 12 Ca -0.04 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.92 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 2.29 0.00 1.61 0.00 -1.26 -3.62 116.66 115.67 2i1t n ARG 13 Ca 0.00 -1.62 0.00 0.00 -0.00 0.00 0.00 57.85 56.23 2i1t n ARG 13 Cb 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 32.46 30.71 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 -0.06 1.60 0.16 5.14 0.00 -1.26 -4.84 105.19 105.93 2i1t n GLY 14 Ca 0.24 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.30 -6.53 1.61 1.63 -1.94 -3.43 116.57 107.61 2i1t h LYS 15 Ca 0.00 0.02 -0.53 0.00 -0.85 0.00 0.00 60.65 59.29 2i1t h LYS 15 Cb 0.00 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.69 2i1t h LYS 15 CO 0.00 0.07 0.45 -1.25 -3.45 0.00 0.00 179.45 175.27 2i1t s PRO 16 N -4.04 4.57 -0.13 1.90 0.04 -1.26 -4.98 135.00 131.10 2i1t s PRO 16 Ca -0.13 1.60 -0.29 0.00 0.04 0.00 0.00 61.00 62.21 2i1t s PRO 16 Cb 0.01 -3.36 -0.03 0.00 0.04 0.00 0.00 34.50 31.16 2i1t s PRO 16 CO 0.51 -0.01 1.50 -1.25 0.04 0.00 0.00 177.00 177.79 2i1t s PRO 17 N 0.42 4.13 0.81 0.56 0.04 -1.26 -4.96 135.00 134.74 2i1t s PRO 17 Ca 0.52 1.90 -0.10 0.00 0.04 0.00 0.00 61.00 63.36 2i1t s PRO 17 Cb -0.26 -3.92 0.18 0.00 0.04 0.00 0.00 34.50 30.54 2i1t s PRO 17 CO 0.31 -0.88 1.10 0.00 0.04 0.00 0.00 177.00 177.57 2i1t s LYS 20 N -5.16 4.14 0.00 0.00 2.47 -1.26 -1.28 119.74 118.64 2i1t s LYS 20 Ca 0.61 2.59 0.00 0.00 -1.56 0.00 0.00 55.97 57.61 2i1t s LYS 20 Cb -0.14 -4.16 0.00 0.00 -1.46 0.00 0.00 37.83 32.07 2i1t s LYS 20 CO 0.54 -0.95 0.00 0.41 0.16 0.00 0.00 175.35 175.51 2i1t n GLY 21 N 4.53 0.58 3.45 5.54 0.00 -1.26 -5.08 105.19 112.95 2i1t n GLY 21 Ca 0.20 0.00 -0.33 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 -2.00 2.85 0.05 1.61 1.51 -0.41 -3.58 117.35 117.39 2i1t s TYR 22 Ca 0.00 -0.38 0.09 0.00 -1.01 0.00 0.00 57.07 55.77 2i1t s TYR 22 Cb 0.00 -1.81 -0.03 0.00 -0.11 0.00 0.00 41.96 40.01 2i1t s TYR 22 CO 0.00 -0.02 -0.26 0.00 -1.11 0.00 0.00 175.55 174.17 2i1t s ALA 23 N -0.03 2.30 0.46 3.71 0.00 -0.32 -4.63 121.76 123.25 2i1t s ALA 23 Ca -0.02 -1.27 -0.04 0.00 0.00 0.00 0.00 51.96 50.63 2i1t s ALA 23 Cb -0.14 -0.50 -0.03 0.00 0.00 0.00 0.00 23.12 22.45 2i1t s ALA 23 CO 0.04 0.54 0.74 0.00 0.00 0.00 0.00 175.76 177.07 2i1t s SER 25 N -4.12 0.98 0.06 0.00 0.01 0.78 -4.79 113.70 106.62 2i1t s SER 25 Ca 0.47 -0.05 -0.15 0.00 1.31 0.00 0.00 55.95 57.52 2i1t s SER 25 Cb -0.10 -0.32 -0.25 0.00 0.21 0.00 0.00 66.02 65.55 2i1t s SER 25 CO 0.43 -0.14 1.15 0.50 0.41 0.00 0.00 173.24 175.58 2i1t h LYS 26 N 7.73 0.65 -0.59 12.44 3.64 -1.87 0.41 116.57 138.98 2i1t h LYS 26 Ca -0.31 -0.75 -0.08 0.00 -1.27 0.00 0.00 60.65 58.25 2i1t h LYS 26 Cb 1.13 0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 33.15 2i1t h LYS 26 CO 0.36 1.32 0.06 1.15 -2.27 0.00 0.00 179.45 180.08 2i1t h THR 27 N 0.30 1.25 0.11 1.00 2.02 -1.95 -3.17 112.91 112.47 2i1t h THR 27 Ca -0.14 -1.03 -0.18 0.00 0.77 0.00 0.00 66.41 65.83 2i1t h THR 27 Cb 1.72 0.74 0.01 0.00 -1.74 0.00 0.00 68.15 68.88 2i1t h THR 27 CO 0.21 0.38 -0.84 -0.50 0.37 0.00 0.00 175.52 175.14 2i1t h TRP 28 N 0.91 0.44 0.00 3.16 6.55 -1.96 -3.48 115.95 121.57 2i1t h TRP 28 Ca 0.18 -0.32 0.00 0.00 0.95 0.00 0.00 58.89 59.70 2i1t h TRP 28 Cb 0.45 -0.02 0.00 0.00 -0.86 0.00 0.00 29.16 28.73 2i1t h TRP 28 CO 0.03 1.32 0.00 0.41 -1.05 0.00 0.00 178.44 179.15 2i1t n GLY 29 N 1.67 0.96 3.26 1.49 0.00 0.14 -5.05 105.19 107.65 2i1t n GLY 29 Ca -0.16 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.06 -1.60 -4.93 1.61 2.14 -1.13 -2.45 117.44 109.01 2i1t n TRP 30 Ca 0.00 -2.11 -0.31 0.00 2.07 0.00 0.00 57.50 57.15 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 0.56 -0.08 0.50 0.00 0.00 -0.47 -2.36 121.76 119.92 2i1t s ALA 32 Ca -0.14 -0.84 -0.22 0.00 0.00 0.00 0.00 51.96 50.75 2i1t s ALA 32 Cb -0.17 0.88 -0.06 0.00 0.00 0.00 0.00 23.12 23.77 2i1t s ALA 32 CO 0.05 -0.67 1.27 0.08 0.00 0.00 0.00 175.76 176.49 2i1t s VAL 33 N -3.97 2.53 -1.16 0.00 1.01 -1.26 -1.17 120.40 116.39 2i1t s VAL 33 Ca 0.17 0.40 -0.21 0.00 0.00 0.00 0.00 61.98 62.34 2i1t s VAL 33 Cb 0.03 -3.20 0.03 0.00 0.00 0.00 0.00 36.38 33.23 2i1t s VAL 33 CO 0.00 -0.00 1.71 -1.61 0.00 0.00 0.00 175.10 175.20 2i1t s GLU 34 N -2.80 3.50 0.01 2.72 2.02 -1.23 -4.80 118.70 118.12 2i1t s GLU 34 Ca 0.68 -1.45 -0.26 0.00 0.02 0.00 0.00 54.97 53.96 2i1t s GLU 34 Cb -0.35 -5.39 -0.16 0.00 0.10 0.00 0.00 34.13 28.33 2i1t s GLU 34 CO 0.42 -2.63 1.20 0.00 0.02 0.00 0.00 175.26 174.27 2i1t h ALA 35 N 8.92 -0.70 0.00 5.21 0.00 -1.94 -3.52 119.26 127.23 2i1t h ALA 35 Ca 0.31 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2i1t h ALA 35 Cb 0.93 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2i1t h ALA 35 CO 1.39 -0.74 0.00 -0.35 0.00 0.00 0.00 179.25 179.55