#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 -0.16 2.75 0.27 0.00 -1.26 -5.07 105.19 101.73 2i1t n GLY 2 Ca 0.00 0.77 -0.36 0.00 0.00 0.00 0.00 46.02 46.44 2i1t n GLY 2 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2i1t n GLU 3 N 0.00 4.27 -4.34 1.61 0.28 -1.26 -5.01 120.64 116.19 2i1t n GLU 3 Ca 0.00 -4.53 -0.26 0.00 -0.16 0.00 0.00 57.16 52.20 2i1t n GLU 3 Cb 0.00 -2.36 -0.10 0.00 1.43 0.00 0.00 31.44 30.41 2i1t n GLU 3 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2i1t n GLY 5 N -0.03 0.85 0.00 0.00 0.00 -0.99 -4.76 105.19 100.26 2i1t n GLY 5 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 5.04 0.10 -0.02 0.00 -1.26 -4.75 105.19 109.30 2i1t n GLY 6 Ca 0.00 -0.64 -0.13 0.00 0.00 0.00 0.00 46.02 45.25 2i1t n GLY 6 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2i1t n PHE 7 N 0.00 1.06 -3.04 1.61 7.35 -1.26 -4.68 117.46 118.50 2i1t n PHE 7 Ca 0.00 0.32 -0.18 0.00 -0.76 0.00 0.00 57.45 56.83 2i1t n PHE 7 Cb 0.00 -1.17 -0.02 0.00 0.35 0.00 0.00 39.48 38.63 2i1t n PHE 7 CO 0.00 0.00 0.00 1.87 -0.76 0.00 0.00 176.76 177.87 2i1t n TRP 8 N -3.19 -1.29 -3.31 -5.13 -0.00 -1.24 -4.06 117.44 99.23 2i1t n TRP 8 Ca -0.23 -3.00 -0.23 0.00 -0.00 0.00 0.00 57.50 54.04 2i1t n TRP 8 Cb 1.05 0.29 -0.00 0.00 -0.00 0.00 0.00 31.31 32.65 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 -0.71 3.38 0.01 5.87 0.52 -0.94 -4.82 118.94 122.24 2i1t s TRP 9 Ca 0.34 0.24 -0.19 0.00 0.02 0.00 0.00 56.10 56.50 2i1t s TRP 9 Cb 0.21 -2.01 -0.06 0.00 -1.15 0.00 0.00 33.47 30.47 2i1t s TRP 9 CO -0.14 -0.02 0.56 0.15 0.02 0.00 0.00 176.95 177.52 2i1t s LYS 10 N -4.35 4.24 0.07 4.98 1.02 -1.26 0.12 119.74 124.55 2i1t s LYS 10 Ca 0.43 0.68 -0.15 0.00 0.02 0.00 0.00 55.97 56.95 2i1t s LYS 10 Cb -0.10 -3.31 0.02 0.00 -0.52 0.00 0.00 37.83 33.93 2i1t s LYS 10 CO 0.36 0.46 0.33 0.00 -0.92 0.00 0.00 175.35 175.58 2i1t n GLY 12 N 0.32 0.87 1.78 0.00 0.00 -1.26 -3.83 105.19 103.07 2i1t n GLY 12 Ca -0.18 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.69 2i1t n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i1t n ARG 13 N 0.00 1.78 -0.06 1.61 5.12 -1.26 -3.02 116.66 120.83 2i1t n ARG 13 Ca 0.00 -1.70 0.00 0.00 -1.93 0.00 0.00 57.85 54.22 2i1t n ARG 13 Cb 0.00 -1.66 0.00 0.00 -1.16 0.00 0.00 32.46 29.64 2i1t n ARG 13 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2i1t n GLY 14 N -0.16 1.03 0.10 -0.13 0.00 -1.26 -4.93 105.19 99.83 2i1t n GLY 14 Ca 0.33 -0.02 -0.04 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.13 -6.70 1.61 1.57 -1.92 -3.45 116.57 107.55 2i1t h LYS 15 Ca 0.00 0.01 -0.51 0.00 -1.87 0.00 0.00 60.65 58.28 2i1t h LYS 15 Cb 0.02 0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.37 2i1t h LYS 15 CO 0.00 0.03 0.49 -1.25 -0.57 0.00 0.00 179.45 178.15 2i1t s PRO 16 N -2.11 4.59 -0.24 3.15 0.04 -1.26 -4.98 135.00 134.18 2i1t s PRO 16 Ca -0.04 1.78 -0.29 0.00 0.04 0.00 0.00 61.00 62.48 2i1t s PRO 16 Cb -0.00 -3.24 -0.01 0.00 0.04 0.00 0.00 34.50 31.28 2i1t s PRO 16 CO 0.14 0.08 1.44 -1.25 0.04 0.00 0.00 177.00 177.45 2i1t s PRO 17 N -0.66 3.92 0.85 0.56 0.04 -1.26 -4.97 135.00 133.48 2i1t s PRO 17 Ca 0.49 1.50 -0.10 0.00 0.04 0.00 0.00 61.00 62.93 2i1t s PRO 17 Cb -0.31 -3.93 0.19 0.00 0.04 0.00 0.00 34.50 30.49 2i1t s PRO 17 CO 0.37 -1.13 1.16 0.00 0.04 0.00 0.00 177.00 177.44 2i1t n LYS 20 N -2.49 2.59 0.00 0.00 4.81 -1.26 -1.00 118.16 120.80 2i1t n LYS 20 Ca 0.05 0.94 0.00 0.00 -0.87 0.00 0.00 58.31 58.43 2i1t n LYS 20 Cb 0.58 -2.81 0.00 0.00 0.02 0.00 0.00 35.03 32.82 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 4.15 3.13 3.76 3.14 0.00 -1.26 -5.04 105.19 113.07 2i1t n GLY 21 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.94 3.59 0.06 1.61 1.51 -0.17 -2.05 117.35 118.96 2i1t s TYR 22 Ca 0.00 0.94 0.09 0.00 -1.01 0.00 0.00 57.07 57.09 2i1t s TYR 22 Cb 0.00 -2.47 -0.03 0.00 -0.11 0.00 0.00 41.96 39.35 2i1t s TYR 22 CO 0.00 0.33 -0.25 0.00 -1.11 0.00 0.00 175.55 174.52 2i1t s ALA 23 N 0.03 2.17 0.46 3.71 0.00 0.17 -4.46 121.76 123.84 2i1t s ALA 23 Ca 0.25 -1.26 -0.04 0.00 0.00 0.00 0.00 51.96 50.91 2i1t s ALA 23 Cb -0.16 -0.44 -0.03 0.00 0.00 0.00 0.00 23.12 22.49 2i1t s ALA 23 CO 0.12 0.51 0.74 0.00 0.00 0.00 0.00 175.76 177.12 2i1t s SER 25 N -4.10 0.58 0.08 0.00 0.01 0.45 -4.84 113.70 105.88 2i1t s SER 25 Ca 0.46 0.26 -0.15 0.00 1.31 0.00 0.00 55.95 57.84 2i1t s SER 25 Cb -0.10 0.16 -0.17 0.00 0.21 0.00 0.00 66.02 66.12 2i1t s SER 25 CO 0.43 -0.22 1.26 0.50 0.41 0.00 0.00 173.24 175.62 2i1t h LYS 26 N 8.06 0.69 -0.86 12.44 3.64 -1.81 0.50 116.57 139.22 2i1t h LYS 26 Ca -0.22 -0.58 -0.02 0.00 -1.27 0.00 0.00 60.65 58.56 2i1t h LYS 26 Cb 1.12 0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 33.03 2i1t h LYS 26 CO 0.23 1.19 0.44 1.15 -2.27 0.00 0.00 179.45 180.20 2i1t h THR 27 N 0.37 1.26 0.22 1.00 2.02 -1.95 -2.85 112.91 112.97 2i1t h THR 27 Ca -0.06 -0.68 -0.32 0.00 0.77 0.00 0.00 66.41 66.13 2i1t h THR 27 Cb 1.35 0.13 0.03 0.00 -1.74 0.00 0.00 68.15 67.91 2i1t h THR 27 CO 0.15 0.30 -1.43 -0.50 0.37 0.00 0.00 175.52 174.41 2i1t h TRP 28 N 1.21 0.83 0.00 3.16 6.55 -1.96 -3.48 115.95 122.27 2i1t h TRP 28 Ca 0.30 -0.61 0.00 0.00 0.95 0.00 0.00 58.89 59.53 2i1t h TRP 28 Cb 0.07 -0.03 0.00 0.00 -0.86 0.00 0.00 29.16 28.34 2i1t h TRP 28 CO 0.01 1.49 0.00 0.41 -1.05 0.00 0.00 178.44 179.30 2i1t n GLY 29 N 1.67 0.77 3.59 1.49 0.00 0.17 -5.06 105.19 107.83 2i1t n GLY 29 Ca -0.15 -0.22 -0.12 0.00 0.00 0.00 0.00 46.02 45.53 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 0.67 -0.11 1.61 -2.14 -1.05 -2.75 118.94 113.18 2i1t s TRP 30 Ca 0.00 -1.04 0.02 0.00 2.66 0.00 0.00 56.10 57.74 2i1t s TRP 30 Cb 0.00 0.21 0.01 0.00 -3.10 0.00 0.00 33.47 30.60 2i1t s TRP 30 CO 0.00 -1.22 -0.17 0.00 -2.66 0.00 0.00 176.95 172.91 2i1t n ALA 32 N 4.12 0.03 -1.01 0.00 0.00 -0.58 -2.22 120.51 120.84 2i1t n ALA 32 Ca -0.19 -1.49 -0.33 0.00 0.00 0.00 0.00 53.44 51.43 2i1t n ALA 32 Cb 0.51 1.20 0.14 0.00 0.00 0.00 0.00 19.45 21.30 2i1t n ALA 32 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2i1t n VAL 33 N -0.51 1.59 0.00 0.00 0.31 -1.26 0.44 118.33 118.90 2i1t n VAL 33 Ca 0.03 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 2i1t n VAL 33 Cb 0.51 -1.16 0.00 0.00 -0.91 0.00 0.00 33.84 32.28 2i1t n VAL 33 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2i1t n GLU 34 N -3.51 0.00 -3.64 5.55 1.02 -0.87 -4.63 120.64 114.56 2i1t n GLU 34 Ca 0.13 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.22 2i1t n GLU 34 Cb 0.51 -0.65 -0.07 0.00 -0.02 0.00 0.00 31.44 31.21 2i1t n GLU 34 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2i1t s ALA 35 N -2.22 -2.15 -2.00 0.62 0.00 -1.26 -5.03 121.76 109.72 2i1t s ALA 35 Ca 0.00 1.96 0.21 0.00 0.00 0.00 0.00 51.96 54.13 2i1t s ALA 35 Cb 0.00 -1.61 1.24 0.00 0.00 0.00 0.00 23.12 22.75 2i1t s ALA 35 CO 0.00 -0.26 1.62 -0.35 0.00 0.00 0.00 175.76 176.78