#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 -0.10 3.01 0.44 0.00 -1.26 -4.76 105.19 102.51 2i1t n GLY 2 Ca 0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.00 2i1t n GLY 2 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2i1t s GLU 3 N 0.00 0.92 0.03 1.61 2.02 -1.26 -5.15 118.70 116.87 2i1t s GLU 3 Ca 0.00 -0.63 -0.07 0.00 0.02 0.00 0.00 54.97 54.29 2i1t s GLU 3 Cb 0.00 -0.01 -0.00 0.00 0.10 0.00 0.00 34.13 34.22 2i1t s GLU 3 CO 0.00 -1.25 0.14 0.00 0.02 0.00 0.00 175.26 174.17 2i1t n GLY 5 N 0.82 0.59 0.00 0.00 0.00 -1.15 -4.72 105.19 100.72 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 4.59 0.07 -0.02 0.00 -1.26 -4.62 105.19 108.95 2i1t n GLY 6 Ca 0.00 -1.01 -0.06 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.40 1.61 3.57 -1.97 -3.41 116.94 115.34 2i1t h PHE 7 Ca 0.00 0.00 -0.40 0.00 3.53 0.00 0.00 57.97 61.10 2i1t h PHE 7 Cb 0.00 0.00 -0.28 0.00 2.79 0.00 0.00 35.95 38.46 2i1t h PHE 7 CO 0.00 0.95 -0.79 1.87 -2.23 0.00 0.00 178.31 178.11 2i1t n TRP 8 N -3.36 -2.01 -3.47 0.41 -0.00 -1.22 -3.98 117.44 103.80 2i1t n TRP 8 Ca 0.00 -2.57 -0.23 0.00 -0.00 0.00 0.00 57.50 54.70 2i1t n TRP 8 Cb 0.91 0.68 0.03 0.00 -0.00 0.00 0.00 31.31 32.93 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 0.05 1.55 -0.06 5.87 0.52 -0.90 -4.85 118.94 121.12 2i1t s TRP 9 Ca 0.33 -0.78 -0.18 0.00 0.02 0.00 0.00 56.10 55.49 2i1t s TRP 9 Cb 0.11 -2.06 -0.05 0.00 -1.15 0.00 0.00 33.47 30.32 2i1t s TRP 9 CO -0.15 -0.79 0.51 0.15 0.02 0.00 0.00 176.95 176.69 2i1t s LYS 10 N -4.46 4.26 0.15 4.98 3.01 -1.26 0.32 119.74 126.73 2i1t s LYS 10 Ca 0.48 0.55 -0.14 0.00 -1.01 0.00 0.00 55.97 55.85 2i1t s LYS 10 Cb -0.04 -3.37 0.02 0.00 -1.01 0.00 0.00 37.83 33.43 2i1t s LYS 10 CO 0.30 0.33 0.37 0.00 0.51 0.00 0.00 175.35 176.85 2i1t n GLY 12 N -0.22 0.56 1.72 0.00 0.00 -1.26 -3.38 105.19 102.60 2i1t n GLY 12 Ca -0.12 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.75 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 1.73 0.00 1.61 0.00 -1.26 -2.89 116.66 115.84 2i1t n ARG 13 Ca 0.00 -1.70 0.00 0.00 -0.00 0.00 0.00 57.85 56.15 2i1t n ARG 13 Cb 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 32.46 30.79 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 -0.35 1.32 0.08 5.14 0.00 -1.26 -4.96 105.19 105.17 2i1t n GLY 14 Ca 0.34 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.33 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 -0.14 -6.69 1.61 1.57 -1.94 -3.45 116.57 107.53 2i1t h LYS 15 Ca 0.00 0.01 -0.52 0.00 -1.87 0.00 0.00 60.65 58.27 2i1t h LYS 15 Cb 0.00 0.03 0.03 0.00 0.08 0.00 0.00 32.23 32.37 2i1t h LYS 15 CO 0.00 -0.09 0.60 -1.25 -0.57 0.00 0.00 179.45 178.14 2i1t s PRO 16 N -1.93 4.45 -0.61 3.15 0.04 -1.26 -4.94 135.00 133.89 2i1t s PRO 16 Ca -0.02 1.97 -0.27 0.00 0.04 0.00 0.00 61.00 62.72 2i1t s PRO 16 Cb 0.00 -3.21 -0.01 0.00 0.04 0.00 0.00 34.50 31.32 2i1t s PRO 16 CO 0.06 -0.15 1.73 -1.25 0.04 0.00 0.00 177.00 177.43 2i1t s PRO 17 N -0.33 2.81 0.94 0.56 0.04 -1.26 -4.97 135.00 132.79 2i1t s PRO 17 Ca 0.54 0.50 -0.12 0.00 0.04 0.00 0.00 61.00 61.96 2i1t s PRO 17 Cb -0.35 -4.32 0.15 0.00 0.04 0.00 0.00 34.50 30.03 2i1t s PRO 17 CO 0.38 -2.53 1.12 0.00 0.04 0.00 0.00 177.00 176.01 2i1t n LYS 20 N -1.29 1.66 0.00 0.00 4.81 -1.26 -0.78 118.16 121.30 2i1t n LYS 20 Ca 0.12 0.61 0.00 0.00 -0.87 0.00 0.00 58.31 58.17 2i1t n LYS 20 Cb 0.47 -2.38 0.00 0.00 0.02 0.00 0.00 35.03 33.14 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 4.37 2.38 3.91 3.14 0.00 -1.26 -5.09 105.19 112.63 2i1t n GLY 21 Ca 0.25 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.23 3.52 0.07 1.61 2.02 0.04 -3.30 117.35 119.08 2i1t s TYR 22 Ca 0.00 0.76 0.04 0.00 -0.37 0.00 0.00 57.07 57.49 2i1t s TYR 22 Cb 0.00 -2.23 -0.03 0.00 -0.40 0.00 0.00 41.96 39.30 2i1t s TYR 22 CO 0.00 -0.10 -0.11 0.00 -1.57 0.00 0.00 175.55 173.77 2i1t s ALA 23 N -2.48 0.93 0.58 3.71 0.00 0.16 -4.83 121.76 119.83 2i1t s ALA 23 Ca 0.46 -0.96 -0.03 0.00 0.00 0.00 0.00 51.96 51.43 2i1t s ALA 23 Cb -0.10 -0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.03 2i1t s ALA 23 CO 0.38 0.05 0.85 0.00 0.00 0.00 0.00 175.76 177.04 2i1t s SER 25 N -4.37 3.80 0.39 0.00 0.01 0.60 -4.88 113.70 109.25 2i1t s SER 25 Ca 0.55 -1.45 0.11 0.00 1.31 0.00 0.00 55.95 56.46 2i1t s SER 25 Cb -0.10 -0.80 0.78 0.00 0.21 0.00 0.00 66.02 66.11 2i1t s SER 25 CO 0.42 -0.39 1.90 0.50 0.41 0.00 0.00 173.24 176.07 2i1t h LYS 26 N 8.13 0.16 0.14 12.44 3.64 -1.82 0.17 116.57 139.42 2i1t h LYS 26 Ca -0.15 -0.04 -0.30 0.00 -1.27 0.00 0.00 60.65 58.89 2i1t h LYS 26 Cb 1.03 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 2i1t h LYS 26 CO 0.44 0.36 -1.47 1.15 -2.27 0.00 0.00 179.45 177.67 2i1t h THR 27 N 0.15 1.24 0.19 1.00 2.02 -1.94 -3.36 112.91 112.21 2i1t h THR 27 Ca 0.03 -2.84 -0.25 0.00 0.77 0.00 0.00 66.41 64.12 2i1t h THR 27 Cb 0.45 2.83 0.03 0.00 -1.74 0.00 0.00 68.15 69.72 2i1t h THR 27 CO 0.03 0.84 -1.09 -0.50 0.37 0.00 0.00 175.52 175.16 2i1t h TRP 28 N 0.08 0.74 0.00 3.16 6.55 -1.93 -3.48 115.95 121.06 2i1t h TRP 28 Ca -0.22 -0.54 0.00 0.00 0.95 0.00 0.00 58.89 59.08 2i1t h TRP 28 Cb 2.02 -0.03 0.00 0.00 -0.86 0.00 0.00 29.16 30.29 2i1t h TRP 28 CO 0.07 1.42 0.00 0.41 -1.05 0.00 0.00 178.44 179.29 2i1t n GLY 29 N 1.68 1.09 3.56 1.49 0.00 0.57 -5.08 105.19 108.50 2i1t n GLY 29 Ca -0.15 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.73 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 0.88 -0.05 1.61 -2.14 -1.21 -3.12 118.94 112.91 2i1t s TRP 30 Ca 0.00 -1.20 0.06 0.00 2.66 0.00 0.00 56.10 57.62 2i1t s TRP 30 Cb 0.00 0.11 -0.01 0.00 -3.10 0.00 0.00 33.47 30.47 2i1t s TRP 30 CO 0.00 -1.24 -0.24 0.00 -2.66 0.00 0.00 176.95 172.81 2i1t n ALA 32 N 2.92 -0.02 -1.76 0.00 0.00 -0.27 -2.12 120.51 119.25 2i1t n ALA 32 Ca -0.17 -1.71 -0.34 0.00 0.00 0.00 0.00 53.44 51.22 2i1t n ALA 32 Cb 0.52 1.38 -0.02 0.00 0.00 0.00 0.00 19.45 21.33 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 -2.97 3.83 0.28 0.00 1.01 -1.26 0.37 120.40 121.67 2i1t s VAL 33 Ca 0.32 1.04 0.20 0.00 0.00 0.00 0.00 61.98 63.55 2i1t s VAL 33 Cb -0.00 -3.44 0.18 0.00 0.00 0.00 0.00 36.38 33.12 2i1t s VAL 33 CO 0.23 -0.34 1.86 -0.33 0.00 0.00 0.00 175.10 176.52 2i1t h GLU 34 N 1.19 0.00 -7.11 2.72 5.08 -1.88 -3.44 114.58 111.14 2i1t h GLU 34 Ca -0.49 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.35 2i1t h GLU 34 Cb 1.22 0.00 0.12 0.00 0.50 0.00 0.00 28.75 30.58 2i1t h GLU 34 CO 0.59 0.28 0.46 0.00 -1.00 0.00 0.00 179.01 179.34 2i1t s ALA 35 N -3.92 2.51 -2.00 3.43 0.00 -1.26 -5.09 121.76 115.43 2i1t s ALA 35 Ca -0.01 0.98 0.18 0.00 0.00 0.00 0.00 51.96 53.11 2i1t s ALA 35 Cb 0.12 -3.45 1.09 0.00 0.00 0.00 0.00 23.12 20.88 2i1t s ALA 35 CO 0.66 -1.21 1.48 -0.35 0.00 0.00 0.00 175.76 176.34