#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 -0.06 0.00 0.27 0.00 -1.26 -5.14 105.19 98.99 2i1t n GLY 2 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 -4.23 1.61 0.28 -1.26 -5.12 120.64 111.92 2i1t n GLU 3 Ca 0.00 0.00 -0.18 0.00 -0.16 0.00 0.00 57.16 56.82 2i1t n GLU 3 Cb 0.00 0.00 -0.11 0.00 1.43 0.00 0.00 31.44 32.76 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 0.66 0.62 0.00 0.00 0.00 -1.12 -4.70 105.19 100.65 2i1t n GLY 5 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 4.88 0.10 -0.02 0.00 -1.26 -4.59 105.19 109.29 2i1t n GLY 6 Ca 0.00 -0.67 -0.12 0.00 0.00 0.00 0.00 46.02 45.23 2i1t n GLY 6 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2i1t n PHE 7 N 0.00 1.03 -3.09 1.61 3.01 -1.26 -4.65 117.46 114.11 2i1t n PHE 7 Ca 0.00 0.33 -0.20 0.00 1.01 0.00 0.00 57.45 58.58 2i1t n PHE 7 Cb 0.00 -1.17 -0.04 0.00 -0.01 0.00 0.00 39.48 38.25 2i1t n PHE 7 CO 0.00 0.00 0.00 1.87 1.01 0.00 0.00 176.76 179.64 2i1t n TRP 8 N -3.15 -1.15 -3.07 1.38 -0.00 -1.24 -4.00 117.44 106.21 2i1t n TRP 8 Ca -0.21 -3.09 -0.19 0.00 -0.00 0.00 0.00 57.50 54.01 2i1t n TRP 8 Cb 1.05 0.15 0.04 0.00 -0.00 0.00 0.00 31.31 32.56 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 -0.66 1.91 0.04 5.87 0.52 -0.93 -4.85 118.94 120.85 2i1t s TRP 9 Ca 0.34 -0.62 -0.19 0.00 0.02 0.00 0.00 56.10 55.66 2i1t s TRP 9 Cb 0.18 -2.25 -0.06 0.00 -1.15 0.00 0.00 33.47 30.18 2i1t s TRP 9 CO -0.15 -0.86 0.55 0.15 0.02 0.00 0.00 176.95 176.66 2i1t s LYS 10 N -4.53 4.19 0.14 4.98 1.02 -1.26 0.25 119.74 124.53 2i1t s LYS 10 Ca 0.58 0.69 -0.14 0.00 0.02 0.00 0.00 55.97 57.12 2i1t s LYS 10 Cb -0.07 -3.26 0.02 0.00 -0.52 0.00 0.00 37.83 34.00 2i1t s LYS 10 CO 0.36 0.58 0.36 0.00 -0.92 0.00 0.00 175.35 175.73 2i1t n GLY 12 N -0.21 0.35 1.32 0.00 0.00 -1.26 -3.42 105.19 101.97 2i1t n GLY 12 Ca -0.13 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.90 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 2.87 0.00 1.61 3.00 -1.26 -2.74 116.66 120.14 2i1t n ARG 13 Ca 0.00 -1.69 0.00 0.00 -0.00 0.00 0.00 57.85 56.16 2i1t n ARG 13 Cb 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 32.46 30.59 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 0.22 1.58 0.09 5.14 0.00 -1.26 -4.90 105.19 106.05 2i1t n GLY 14 Ca 0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.08 -6.56 1.61 1.63 -1.95 -3.45 116.57 107.77 2i1t h LYS 15 Ca 0.00 0.01 -0.53 0.00 -0.85 0.00 0.00 60.65 59.28 2i1t h LYS 15 Cb 0.00 0.02 0.01 0.00 -0.60 0.00 0.00 32.23 31.66 2i1t h LYS 15 CO 0.00 0.40 0.54 -1.25 -3.45 0.00 0.00 179.45 175.69 2i1t s PRO 16 N -2.48 4.48 -0.51 1.90 0.04 -1.26 -4.96 135.00 132.22 2i1t s PRO 16 Ca -0.11 1.77 -0.27 0.00 0.04 0.00 0.00 61.00 62.43 2i1t s PRO 16 Cb -0.01 -3.31 -0.01 0.00 0.04 0.00 0.00 34.50 31.21 2i1t s PRO 16 CO 0.40 -0.14 1.69 -1.25 0.04 0.00 0.00 177.00 177.74 2i1t s PRO 17 N 0.46 3.05 0.84 0.56 0.04 -1.26 -4.97 135.00 133.73 2i1t s PRO 17 Ca 0.55 0.80 -0.12 0.00 0.04 0.00 0.00 61.00 62.27 2i1t s PRO 17 Cb -0.30 -4.24 0.10 0.00 0.04 0.00 0.00 34.50 30.10 2i1t s PRO 17 CO 0.32 -2.21 1.12 0.00 0.04 0.00 0.00 177.00 176.26 2i1t s LYS 20 N -4.70 4.21 0.00 0.00 2.47 -1.26 -2.26 119.74 118.20 2i1t s LYS 20 Ca 0.66 2.32 0.00 0.00 -1.56 0.00 0.00 55.97 57.39 2i1t s LYS 20 Cb -0.22 -3.50 0.00 0.00 -1.46 0.00 0.00 37.83 32.65 2i1t s LYS 20 CO 0.60 -0.70 0.00 0.41 0.16 0.00 0.00 175.35 175.82 2i1t n GLY 21 N 3.92 0.76 3.44 5.54 0.00 -1.26 -5.09 105.19 112.51 2i1t n GLY 21 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 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 2.41 0.06 1.61 1.51 -0.96 -4.13 117.35 115.85 2i1t s TYR 22 Ca 0.00 -0.32 0.06 0.00 -1.01 0.00 0.00 57.07 55.80 2i1t s TYR 22 Cb 0.00 -1.28 -0.03 0.00 -0.11 0.00 0.00 41.96 40.55 2i1t s TYR 22 CO 0.00 0.39 -0.17 0.00 -1.11 0.00 0.00 175.55 174.65 2i1t s ALA 23 N -1.20 1.44 0.49 3.71 0.00 0.64 -4.82 121.76 122.02 2i1t s ALA 23 Ca 0.17 -1.00 -0.04 0.00 0.00 0.00 0.00 51.96 51.09 2i1t s ALA 23 Cb -0.10 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.79 2i1t s ALA 23 CO 0.08 0.28 0.77 0.00 0.00 0.00 0.00 175.76 176.89 2i1t s SER 25 N -4.17 1.98 0.10 0.00 0.15 0.77 -4.88 113.70 107.66 2i1t s SER 25 Ca 0.48 -0.39 -0.13 0.00 0.70 0.00 0.00 55.95 56.62 2i1t s SER 25 Cb -0.10 -0.25 -0.17 0.00 -1.71 0.00 0.00 66.02 63.79 2i1t s SER 25 CO 0.43 -0.31 1.28 0.50 1.20 0.00 0.00 173.24 176.34 2i1t h LYS 26 N 8.41 0.77 -0.46 5.44 1.63 -1.80 0.19 116.57 130.75 2i1t h LYS 26 Ca -0.14 -0.67 -0.08 0.00 -0.85 0.00 0.00 60.65 58.91 2i1t h LYS 26 Cb 1.14 0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 32.90 2i1t h LYS 26 CO 0.25 1.27 -0.03 1.15 -3.45 0.00 0.00 179.45 178.64 2i1t h THR 27 N 0.51 1.24 0.06 1.00 2.02 -1.95 -3.23 112.91 112.56 2i1t h THR 27 Ca -0.07 -1.04 -0.17 0.00 0.77 0.00 0.00 66.41 65.90 2i1t h THR 27 Cb 1.48 0.93 -0.00 0.00 -1.74 0.00 0.00 68.15 68.81 2i1t h THR 27 CO 0.17 0.36 -0.86 -0.50 0.37 0.00 0.00 175.52 175.06 2i1t h TRP 28 N 0.72 0.25 0.00 3.16 6.55 -1.95 -3.49 115.95 121.19 2i1t h TRP 28 Ca 0.14 -0.18 0.00 0.00 0.95 0.00 0.00 58.89 59.79 2i1t h TRP 28 Cb 0.48 -0.01 0.00 0.00 -0.86 0.00 0.00 29.16 28.77 2i1t h TRP 28 CO 0.02 1.34 0.00 0.41 -1.05 0.00 0.00 178.44 179.16 2i1t n GLY 29 N 1.63 1.25 1.88 1.49 0.00 0.66 -5.09 105.19 107.02 2i1t n GLY 29 Ca -0.20 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.50 -1.13 -4.04 1.61 2.14 -1.13 -3.01 117.44 110.38 2i1t n TRP 30 Ca 0.00 -1.23 -0.22 0.00 2.07 0.00 0.00 57.50 58.11 2i1t n TRP 30 Cb 0.00 0.34 -0.17 0.00 -0.81 0.00 0.00 31.31 30.67 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 1.33 -0.15 0.44 0.00 0.00 0.03 -2.18 121.76 121.23 2i1t s ALA 32 Ca -0.04 -0.87 -0.24 0.00 0.00 0.00 0.00 51.96 50.81 2i1t s ALA 32 Cb -0.14 1.02 -0.09 0.00 0.00 0.00 0.00 23.12 23.91 2i1t s ALA 32 CO -0.03 -0.78 1.18 0.28 0.00 0.00 0.00 175.76 176.42 2i1t n VAL 33 N -0.33 2.67 -1.67 0.00 0.31 -1.26 -0.26 118.33 117.79 2i1t n VAL 33 Ca -0.04 -0.50 -0.37 0.00 -0.01 0.00 0.00 64.34 63.42 2i1t n VAL 33 Cb 0.63 -1.42 -0.03 0.00 -0.91 0.00 0.00 33.84 32.11 2i1t n VAL 33 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2i1t s GLU 34 N -2.22 2.34 -0.08 5.55 0.41 -1.26 -4.72 118.70 118.72 2i1t s GLU 34 Ca 0.63 1.33 -0.15 0.00 -0.41 0.00 0.00 54.97 56.37 2i1t s GLU 34 Cb -0.51 -4.51 -0.12 0.00 -1.78 0.00 0.00 34.13 27.21 2i1t s GLU 34 CO 0.56 -3.01 0.54 0.00 -0.49 0.00 0.00 175.26 172.86 2i1t h ALA 35 N 18.04 -0.14 0.00 5.21 0.00 -1.98 -3.51 119.26 136.88 2i1t h ALA 35 Ca -0.27 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2i1t h ALA 35 Cb 1.24 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2i1t h ALA 35 CO 1.15 -0.17 0.00 -0.35 0.00 0.00 0.00 179.25 179.88