#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 -0.99 -0.42 6.12 0.00 -1.26 -5.09 107.32 105.68 2i1t s GLY 2 Ca 0.00 2.03 0.07 0.00 0.00 0.00 0.00 44.72 46.82 2i1t s GLY 2 CO 0.00 4.13 0.48 1.18 0.00 0.00 0.00 173.10 178.89 2i1t n GLU 3 N 4.97 0.70 -3.72 2.90 1.02 -1.26 -5.09 120.64 120.16 2i1t n GLU 3 Ca 0.09 -3.32 -0.11 0.00 -0.02 0.00 0.00 57.16 53.80 2i1t n GLU 3 Cb 0.58 -1.43 -0.07 0.00 -0.02 0.00 0.00 31.44 30.51 2i1t n GLU 3 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2i1t n GLY 5 N 0.35 0.87 0.00 0.00 0.00 -0.84 -4.70 105.19 100.87 2i1t n GLY 5 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 4.88 3.68 0.19 -0.02 0.00 -1.26 -4.74 105.19 107.92 2i1t n GLY 6 Ca 0.00 -1.03 0.12 0.00 0.00 0.00 0.00 46.02 45.11 2i1t n GLY 6 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 2i1t h PHE 7 N 0.12 0.00 -0.77 1.61 -5.15 -1.98 -3.41 116.94 107.36 2i1t h PHE 7 Ca 0.00 0.00 -0.30 0.00 -0.20 0.00 0.00 57.97 57.47 2i1t h PHE 7 Cb 0.00 0.00 -0.21 0.00 0.22 0.00 0.00 35.95 35.96 2i1t h PHE 7 CO 0.00 0.00 -0.65 1.87 -2.00 0.00 0.00 178.31 177.53 2i1t n TRP 8 N -2.96 -2.66 -3.42 6.09 -0.00 -1.22 -3.93 117.44 109.33 2i1t n TRP 8 Ca 0.03 -2.16 -0.20 0.00 -0.00 0.00 0.00 57.50 55.17 2i1t n TRP 8 Cb 0.53 1.07 -0.02 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 0.30 2.78 -0.01 5.87 0.52 -0.85 -4.86 118.94 122.69 2i1t s TRP 9 Ca 0.32 -0.43 -0.18 0.00 0.02 0.00 0.00 56.10 55.84 2i1t s TRP 9 Cb 0.16 -2.18 -0.05 0.00 -1.15 0.00 0.00 33.47 30.24 2i1t s TRP 9 CO -0.18 -0.17 0.49 0.15 0.02 0.00 0.00 176.95 177.26 2i1t s LYS 10 N -4.18 4.15 0.07 4.98 1.02 -1.26 0.47 119.74 124.99 2i1t s LYS 10 Ca 0.49 0.55 -0.14 0.00 0.02 0.00 0.00 55.97 56.89 2i1t s LYS 10 Cb -0.06 -3.30 0.02 0.00 -0.52 0.00 0.00 37.83 33.98 2i1t s LYS 10 CO 0.29 0.49 0.32 0.00 -0.92 0.00 0.00 175.35 175.54 2i1t n GLY 12 N 0.30 0.76 2.48 0.00 0.00 -1.26 -3.72 105.19 103.74 2i1t n GLY 12 Ca -0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 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 2.57 -2.43 1.61 3.00 -1.26 -2.96 116.66 117.20 2i1t n ARG 13 Ca 0.00 -2.41 -0.00 0.00 -0.00 0.00 0.00 57.85 55.44 2i1t n ARG 13 Cb 0.00 -2.18 0.00 0.00 0.00 0.00 0.00 32.46 30.28 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 0.98 0.83 0.11 5.14 0.00 -1.26 -4.95 105.19 106.04 2i1t n GLY 14 Ca 0.50 -0.70 -0.03 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.04 -0.17 -6.54 1.61 1.79 -1.92 -3.45 116.57 107.85 2i1t h LYS 15 Ca -0.01 0.01 -0.53 0.00 -2.18 0.00 0.00 60.65 57.94 2i1t h LYS 15 Cb 1.01 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.70 2i1t h LYS 15 CO 0.01 -0.11 0.52 -1.25 -1.08 0.00 0.00 179.45 177.54 2i1t s PRO 16 N -2.11 4.49 -0.16 3.15 0.04 -1.26 -4.98 135.00 134.17 2i1t s PRO 16 Ca -0.03 1.73 -0.29 0.00 0.04 0.00 0.00 61.00 62.45 2i1t s PRO 16 Cb 0.00 -3.33 -0.02 0.00 0.04 0.00 0.00 34.50 31.19 2i1t s PRO 16 CO 0.08 -0.13 1.32 -1.25 0.04 0.00 0.00 177.00 177.05 2i1t s PRO 17 N 0.57 4.20 0.65 0.56 0.04 -1.26 -4.96 135.00 134.80 2i1t s PRO 17 Ca 0.55 1.70 -0.03 0.00 0.04 0.00 0.00 61.00 63.27 2i1t s PRO 17 Cb -0.29 -3.80 0.06 0.00 0.04 0.00 0.00 34.50 30.51 2i1t s PRO 17 CO 0.31 -0.75 0.92 0.00 0.04 0.00 0.00 177.00 177.51 2i1t n LYS 20 N -1.25 1.22 0.00 0.00 3.00 -1.26 -1.43 118.16 118.44 2i1t n LYS 20 Ca 0.11 0.31 0.00 0.00 -0.00 0.00 0.00 58.31 58.74 2i1t n LYS 20 Cb 0.50 -2.65 0.00 0.00 0.00 0.00 0.00 35.03 32.88 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 6.37 3.77 3.83 3.14 0.00 -1.26 -5.10 105.19 115.94 2i1t n GLY 21 Ca 0.39 -0.88 -0.37 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.03 3.71 0.14 1.61 2.02 -0.52 -3.94 117.35 120.34 2i1t s TYR 22 Ca 0.00 1.10 0.10 0.00 -0.37 0.00 0.00 57.07 57.91 2i1t s TYR 22 Cb 0.00 -2.38 -0.04 0.00 -0.40 0.00 0.00 41.96 39.14 2i1t s TYR 22 CO 0.00 0.55 -0.23 0.00 -1.57 0.00 0.00 175.55 174.30 2i1t s ALA 23 N -1.23 2.53 0.45 3.71 0.00 0.92 -4.61 121.76 123.53 2i1t s ALA 23 Ca 0.30 -1.46 -0.03 0.00 0.00 0.00 0.00 51.96 50.77 2i1t s ALA 23 Cb -0.17 -0.48 -0.03 0.00 0.00 0.00 0.00 23.12 22.44 2i1t s ALA 23 CO 0.17 0.54 0.72 0.00 0.00 0.00 0.00 175.76 177.19 2i1t s SER 25 N -4.11 3.33 0.36 0.00 0.01 0.13 -4.85 113.70 108.58 2i1t s SER 25 Ca 0.46 -1.14 0.10 0.00 1.31 0.00 0.00 55.95 56.67 2i1t s SER 25 Cb -0.10 -0.61 0.70 0.00 0.21 0.00 0.00 66.02 66.21 2i1t s SER 25 CO 0.42 -0.37 1.85 0.07 0.41 0.00 0.00 173.24 175.62 2i1t h LYS 26 N 8.24 0.18 -0.56 12.44 -0.00 -1.81 0.48 116.57 135.54 2i1t h LYS 26 Ca -0.16 -0.06 -0.11 0.00 -0.00 0.00 0.00 60.65 60.32 2i1t h LYS 26 Cb 1.07 -0.02 -0.02 0.00 -0.00 0.00 0.00 32.23 33.27 2i1t h LYS 26 CO 0.39 0.43 -0.09 1.15 -0.00 0.00 0.00 179.45 181.33 2i1t h THR 27 N 0.16 1.27 0.02 0.07 2.02 -1.94 -3.30 112.91 111.21 2i1t h THR 27 Ca 0.03 -1.26 -0.19 0.00 0.77 0.00 0.00 66.41 65.76 2i1t h THR 27 Cb 0.54 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 2i1t h THR 27 CO 0.04 0.45 -1.00 -0.50 0.37 0.00 0.00 175.52 174.88 2i1t h TRP 28 N 0.93 0.09 0.00 3.16 6.55 -1.90 -3.49 115.95 121.29 2i1t h TRP 28 Ca 0.15 -0.07 0.00 0.00 0.95 0.00 0.00 58.89 59.92 2i1t h TRP 28 Cb 0.66 -0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.96 2i1t h TRP 28 CO 0.05 1.39 0.00 0.41 -1.05 0.00 0.00 178.44 179.24 2i1t n GLY 29 N 1.55 1.54 3.58 1.49 0.00 0.17 -5.09 105.19 108.43 2i1t n GLY 29 Ca -0.25 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.64 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 0.74 -0.07 1.61 -2.14 -1.16 -2.63 118.94 113.28 2i1t s TRP 30 Ca 0.00 -1.09 0.03 0.00 2.66 0.00 0.00 56.10 57.70 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 -1.22 -0.16 0.00 -2.66 0.00 0.00 176.95 172.91 2i1t n ALA 32 N 3.66 -0.05 -2.36 0.00 0.00 -0.44 -2.00 120.51 119.32 2i1t n ALA 32 Ca -0.21 -0.38 -0.42 0.00 0.00 0.00 0.00 53.44 52.42 2i1t n ALA 32 Cb 0.52 0.31 -0.03 0.00 0.00 0.00 0.00 19.45 20.25 2i1t n ALA 32 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2i1t s VAL 33 N -2.50 4.09 0.66 0.00 1.01 -1.25 -0.06 120.40 122.36 2i1t s VAL 33 Ca 0.07 1.39 -0.07 0.00 0.00 0.00 0.00 61.98 63.37 2i1t s VAL 33 Cb -0.00 -3.90 0.04 0.00 0.00 0.00 0.00 36.38 32.52 2i1t s VAL 33 CO 0.05 -0.06 0.98 -1.61 0.00 0.00 0.00 175.10 174.46 2i1t s GLU 34 N 2.91 2.53 -0.14 2.72 0.41 -1.25 -4.88 118.70 121.00 2i1t s GLU 34 Ca 0.59 -0.08 -0.01 0.00 -0.41 0.00 0.00 54.97 55.05 2i1t s GLU 34 Cb -0.26 -2.19 -0.02 0.00 -1.78 0.00 0.00 34.13 29.88 2i1t s GLU 34 CO 0.21 -1.02 -0.10 0.00 -0.49 0.00 0.00 175.26 173.86 2i1t s ALA 35 N -3.16 2.74 -2.00 5.21 0.00 -1.26 -5.02 121.76 118.26 2i1t s ALA 35 Ca 0.58 -0.87 0.20 0.00 0.00 0.00 0.00 51.96 51.87 2i1t s ALA 35 Cb -0.11 -1.31 1.20 0.00 0.00 0.00 0.00 23.12 22.90 2i1t s ALA 35 CO 0.46 0.25 1.58 -0.35 0.00 0.00 0.00 175.76 177.70