#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 3.43 3.58 6.12 0.00 -1.26 -5.01 105.19 112.04 2i1t n GLY 2 Ca 0.00 -1.92 -0.27 0.00 0.00 0.00 0.00 46.02 43.83 2i1t n GLY 2 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2i1t s GLU 3 N -1.54 1.88 0.18 1.61 -6.30 -1.26 -5.15 118.70 108.12 2i1t s GLU 3 Ca 0.36 -2.04 0.09 0.00 -2.50 0.00 0.00 54.97 50.89 2i1t s GLU 3 Cb 0.16 -1.56 -0.04 0.00 0.00 0.00 0.00 34.13 32.69 2i1t s GLU 3 CO -0.08 -0.02 -0.19 0.00 0.02 0.00 0.00 175.26 174.99 2i1t n GLY 5 N 0.16 0.53 0.00 0.00 0.00 -1.01 -4.75 105.19 100.13 2i1t n GLY 5 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 4.95 0.10 -0.02 0.00 -1.26 -4.75 105.19 109.21 2i1t n GLY 6 Ca 0.00 -0.97 0.12 0.00 0.00 0.00 0.00 46.02 45.17 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 0.00 0.00 0.00 1.61 -0.00 -1.98 -3.42 116.94 113.14 2i1t h PHE 7 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.97 57.75 2i1t h PHE 7 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 35.95 35.81 2i1t h PHE 7 CO 0.00 0.00 -0.48 1.87 -0.00 0.00 0.00 178.31 179.70 2i1t n TRP 8 N -2.41 -3.26 -2.84 6.09 -0.00 -1.19 -3.77 117.44 110.06 2i1t n TRP 8 Ca 0.02 -1.82 -0.20 0.00 -0.00 0.00 0.00 57.50 55.50 2i1t n TRP 8 Cb 0.49 1.58 0.05 0.00 -0.00 0.00 0.00 31.31 33.43 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 0.61 2.22 -0.11 5.87 0.52 -0.71 -4.80 118.94 122.55 2i1t s TRP 9 Ca 0.30 -0.37 -0.14 0.00 0.02 0.00 0.00 56.10 55.91 2i1t s TRP 9 Cb 0.24 -2.54 -0.05 0.00 -1.15 0.00 0.00 33.47 29.97 2i1t s TRP 9 CO -0.21 -0.97 0.35 0.15 0.02 0.00 0.00 176.95 176.29 2i1t s LYS 10 N -4.68 4.13 0.10 4.98 1.02 -1.26 0.76 119.74 124.79 2i1t s LYS 10 Ca 0.59 0.23 -0.13 0.00 0.02 0.00 0.00 55.97 56.69 2i1t s LYS 10 Cb -0.08 -3.36 0.02 0.00 -0.52 0.00 0.00 37.83 33.89 2i1t s LYS 10 CO 0.38 0.38 0.31 0.00 -0.92 0.00 0.00 175.35 175.50 2i1t n GLY 12 N -0.07 0.59 2.11 0.00 0.00 -1.26 -3.56 105.19 103.00 2i1t n GLY 12 Ca -0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 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 2.06 -1.00 1.61 3.00 -1.26 -2.42 116.66 118.64 2i1t n ARG 13 Ca 0.00 -1.95 0.00 0.00 -0.00 0.00 0.00 57.85 55.90 2i1t n ARG 13 Cb 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 32.46 30.63 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 0.40 0.99 0.08 5.14 0.00 -1.26 -4.98 105.19 105.54 2i1t n GLY 14 Ca 0.38 -0.27 -0.02 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.12 -6.60 1.61 1.57 -1.92 -3.44 116.57 107.66 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 0.40 0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.75 2i1t h LYS 15 CO 0.00 -0.08 0.52 -1.25 -0.57 0.00 0.00 179.45 178.07 2i1t s PRO 16 N -1.87 4.51 -0.35 3.15 0.04 -1.26 -4.97 135.00 134.25 2i1t s PRO 16 Ca -0.02 1.77 -0.29 0.00 0.04 0.00 0.00 61.00 62.51 2i1t s PRO 16 Cb 0.00 -3.29 -0.00 0.00 0.04 0.00 0.00 34.50 31.25 2i1t s PRO 16 CO 0.06 -0.08 1.48 -1.25 0.04 0.00 0.00 177.00 177.25 2i1t s PRO 17 N 0.15 3.62 1.05 0.56 0.04 -1.26 -4.96 135.00 134.20 2i1t s PRO 17 Ca 0.53 1.17 -0.18 0.00 0.04 0.00 0.00 61.00 62.56 2i1t s PRO 17 Cb -0.30 -4.03 0.24 0.00 0.04 0.00 0.00 34.50 30.45 2i1t s PRO 17 CO 0.33 -1.50 1.29 0.00 0.04 0.00 0.00 177.00 177.16 2i1t n LYS 20 N -0.45 1.55 0.00 0.00 4.81 -1.26 -1.34 118.16 121.47 2i1t n LYS 20 Ca 0.02 0.56 0.00 0.00 -0.87 0.00 0.00 58.31 58.02 2i1t n LYS 20 Cb 0.53 -2.36 0.00 0.00 0.02 0.00 0.00 35.03 33.22 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 4.58 2.03 3.90 3.14 0.00 -1.26 -5.09 105.19 112.49 2i1t n GLY 21 Ca 0.27 -0.68 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.45 3.47 0.06 1.61 2.02 -0.45 -3.39 117.35 120.22 2i1t s TYR 22 Ca 0.00 0.62 0.07 0.00 -0.37 0.00 0.00 57.07 57.39 2i1t s TYR 22 Cb 0.00 -2.07 -0.03 0.00 -0.40 0.00 0.00 41.96 39.46 2i1t s TYR 22 CO 0.00 0.31 -0.19 0.00 -1.57 0.00 0.00 175.55 174.10 2i1t s ALA 23 N -1.86 1.61 0.43 3.71 0.00 0.19 -4.67 121.76 121.17 2i1t s ALA 23 Ca 0.43 -1.06 -0.03 0.00 0.00 0.00 0.00 51.96 51.30 2i1t s ALA 23 Cb -0.11 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.70 2i1t s ALA 23 CO 0.26 0.33 0.70 0.00 0.00 0.00 0.00 175.76 177.06 2i1t s SER 25 N -4.05 1.43 0.11 0.00 0.01 0.11 -4.87 113.70 106.43 2i1t s SER 25 Ca 0.45 -0.09 -0.11 0.00 1.31 0.00 0.00 55.95 57.50 2i1t s SER 25 Cb -0.10 -0.08 -0.13 0.00 0.21 0.00 0.00 66.02 65.91 2i1t s SER 25 CO 0.41 -0.28 1.31 0.50 0.41 0.00 0.00 173.24 175.59 2i1t h LYS 26 N 8.42 0.74 -0.78 12.44 3.64 -1.73 0.57 116.57 139.86 2i1t h LYS 26 Ca -0.13 -0.62 -0.04 0.00 -1.27 0.00 0.00 60.65 58.59 2i1t h LYS 26 Cb 1.13 0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 33.05 2i1t h LYS 26 CO 0.19 1.23 0.34 1.15 -2.27 0.00 0.00 179.45 180.09 2i1t h THR 27 N 0.49 1.25 0.23 1.00 2.02 -1.94 -2.92 112.91 113.05 2i1t h THR 27 Ca -0.06 -0.76 -0.32 0.00 0.77 0.00 0.00 66.41 66.04 2i1t h THR 27 Cb 1.43 0.30 0.03 0.00 -1.74 0.00 0.00 68.15 68.17 2i1t h THR 27 CO 0.16 0.32 -1.43 -0.50 0.37 0.00 0.00 175.52 174.44 2i1t h TRP 28 N 1.12 0.88 0.00 3.16 6.55 -1.94 -3.48 115.95 122.24 2i1t h TRP 28 Ca 0.26 -0.64 0.00 0.00 0.95 0.00 0.00 58.89 59.46 2i1t h TRP 28 Cb 0.17 -0.04 0.00 0.00 -0.86 0.00 0.00 29.16 28.44 2i1t h TRP 28 CO 0.02 1.50 0.00 0.41 -1.05 0.00 0.00 178.44 179.32 2i1t n GLY 29 N 1.67 0.87 3.57 1.49 0.00 0.19 -5.06 105.19 107.92 2i1t n GLY 29 Ca -0.15 -0.10 -0.13 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 0.76 -0.13 1.61 -2.14 -0.99 -2.58 118.94 113.48 2i1t s TRP 30 Ca 0.00 -1.10 0.01 0.00 2.66 0.00 0.00 56.10 57.66 2i1t s TRP 30 Cb 0.00 0.14 0.02 0.00 -3.10 0.00 0.00 33.47 30.53 2i1t s TRP 30 CO 0.00 -1.19 -0.13 0.00 -2.66 0.00 0.00 176.95 172.97 2i1t n ALA 32 N 4.62 0.61 -1.16 0.00 0.00 -0.44 -1.73 120.51 122.40 2i1t n ALA 32 Ca -0.17 -1.66 -0.33 0.00 0.00 0.00 0.00 53.44 51.29 2i1t n ALA 32 Cb 0.50 1.34 0.11 0.00 0.00 0.00 0.00 19.45 21.40 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 -3.14 2.48 -0.55 0.00 1.01 -1.25 0.54 120.40 119.49 2i1t s VAL 33 Ca 0.33 0.20 -0.28 0.00 0.00 0.00 0.00 61.98 62.23 2i1t s VAL 33 Cb 0.02 -2.59 -0.10 0.00 0.00 0.00 0.00 36.38 33.70 2i1t s VAL 33 CO 0.24 -0.16 2.43 -0.62 0.00 0.00 0.00 175.10 176.98 2i1t n GLU 34 N -3.25 0.92 -3.55 2.72 -0.58 -1.22 -4.65 120.64 111.03 2i1t n GLU 34 Ca 0.12 0.08 -0.16 0.00 -0.42 0.00 0.00 57.16 56.77 2i1t n GLU 34 Cb 0.51 -2.94 -0.06 0.00 -0.57 0.00 0.00 31.44 28.39 2i1t n GLU 34 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2i1t s ALA 35 N 10.72 -1.80 -2.00 0.62 0.00 -1.26 -5.10 121.76 122.95 2i1t s ALA 35 Ca 1.07 1.47 0.16 0.00 0.00 0.00 0.00 51.96 54.67 2i1t s ALA 35 Cb -0.48 -0.30 0.96 0.00 0.00 0.00 0.00 23.12 23.30 2i1t s ALA 35 CO 0.34 -0.35 1.37 -0.35 0.00 0.00 0.00 175.76 176.77