#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 2.89 0.00 0.44 0.00 -1.26 -4.90 105.19 102.36 2i1t n GLY 2 Ca 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.52 2i1t n GLY 2 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2i1t n GLU 3 N 1.04 1.04 -3.20 1.61 2.13 -1.26 -4.86 120.64 117.14 2i1t n GLU 3 Ca 0.00 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.51 2i1t n GLU 3 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.66 2i1t n GLU 3 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2i1t n GLY 5 N -0.52 0.94 0.00 0.00 0.00 -0.46 -4.63 105.19 100.53 2i1t n GLY 5 Ca 0.02 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 4.86 0.09 -0.02 0.00 -1.26 -4.13 105.19 109.73 2i1t n GLY 6 Ca 0.00 -0.85 -0.05 0.00 0.00 0.00 0.00 46.02 45.12 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 0.01 -0.86 1.61 3.57 -1.98 -3.41 116.94 115.89 2i1t h PHE 7 Ca 0.00 -0.01 -0.32 0.00 3.53 0.00 0.00 57.97 61.17 2i1t h PHE 7 Cb 0.00 -0.00 -0.22 0.00 2.79 0.00 0.00 35.95 38.52 2i1t h PHE 7 CO 0.00 0.86 -0.68 1.87 -2.23 0.00 0.00 178.31 178.14 2i1t n TRP 8 N -3.53 -2.56 -3.23 0.41 -0.00 -1.24 -3.89 117.44 103.40 2i1t n TRP 8 Ca -0.01 -2.23 -0.20 0.00 -0.00 0.00 0.00 57.50 55.07 2i1t n TRP 8 Cb 0.82 1.00 0.02 0.00 -0.00 0.00 0.00 31.31 33.15 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 0.25 2.03 0.18 5.87 0.52 -0.94 -4.87 118.94 121.97 2i1t s TRP 9 Ca 0.32 -0.62 -0.15 0.00 0.02 0.00 0.00 56.10 55.68 2i1t s TRP 9 Cb 0.16 -2.21 -0.07 0.00 -1.15 0.00 0.00 33.47 30.19 2i1t s TRP 9 CO -0.18 -0.69 0.59 0.15 0.02 0.00 0.00 176.95 176.85 2i1t s LYS 10 N -4.44 4.02 0.12 4.98 1.02 -1.26 -0.06 119.74 124.12 2i1t s LYS 10 Ca 0.54 0.56 -0.13 0.00 0.02 0.00 0.00 55.97 56.96 2i1t s LYS 10 Cb -0.06 -2.87 0.02 0.00 -0.52 0.00 0.00 37.83 34.39 2i1t s LYS 10 CO 0.33 0.43 0.32 0.00 -0.92 0.00 0.00 175.35 175.52 2i1t n GLY 12 N -0.17 0.51 0.13 0.00 0.00 -1.26 -3.63 105.19 100.77 2i1t n GLY 12 Ca -0.15 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.68 2i1t n GLY 12 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2i1t h ARG 13 N 0.00 0.25 0.00 1.61 1.12 -1.93 -2.90 114.38 112.53 2i1t h ARG 13 Ca 0.00 -0.42 -0.05 0.00 -1.11 0.00 0.00 59.98 58.39 2i1t h ARG 13 Cb 0.00 0.16 -0.05 0.00 -0.01 0.00 0.00 29.97 30.07 2i1t h ARG 13 CO 0.00 1.11 -0.10 0.41 -3.11 0.00 0.00 179.97 178.29 2i1t n GLY 14 N 1.87 -0.01 0.01 2.80 0.00 -1.26 -4.67 105.19 103.92 2i1t n GLY 14 Ca -0.27 -0.04 -0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 0.22 0.00 -6.46 1.61 1.57 -1.96 -3.45 116.57 108.09 2i1t h LYS 15 Ca -0.17 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.04 2i1t h LYS 15 Cb 1.00 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.25 2i1t h LYS 15 CO -0.08 0.00 0.96 -1.25 -0.57 0.00 0.00 179.45 178.51 2i1t s PRO 16 N -1.10 3.82 -0.28 3.15 0.04 -1.26 -4.96 135.00 134.41 2i1t s PRO 16 Ca -0.01 1.00 -0.29 0.00 0.04 0.00 0.00 61.00 61.74 2i1t s PRO 16 Cb 0.00 -3.89 0.00 0.00 0.04 0.00 0.00 34.50 30.65 2i1t s PRO 16 CO 0.02 -1.24 1.21 -1.25 0.04 0.00 0.00 177.00 175.78 2i1t s PRO 17 N 4.32 4.03 0.73 0.56 0.04 -1.26 -4.84 135.00 138.58 2i1t s PRO 17 Ca 0.54 1.26 -0.13 0.00 0.04 0.00 0.00 61.00 62.71 2i1t s PRO 17 Cb -0.13 -3.81 0.04 0.00 0.04 0.00 0.00 34.50 30.64 2i1t s PRO 17 CO 0.26 -0.96 1.11 0.00 0.04 0.00 0.00 177.00 177.45 2i1t n LYS 20 N -2.60 0.72 0.00 0.00 5.02 -1.26 -1.11 118.16 118.92 2i1t n LYS 20 Ca 0.14 0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.69 2i1t n LYS 20 Cb 0.49 -1.85 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 2i1t n LYS 20 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2i1t n GLY 21 N 2.56 1.98 3.62 0.72 0.00 -1.26 -5.05 105.19 107.76 2i1t n GLY 21 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.18 3.23 0.04 1.61 2.02 -0.27 -3.62 117.35 118.19 2i1t s TYR 22 Ca 0.00 0.04 -0.00 0.00 -0.37 0.00 0.00 57.07 56.74 2i1t s TYR 22 Cb 0.00 -2.07 -0.04 0.00 -0.40 0.00 0.00 41.96 39.45 2i1t s TYR 22 CO 0.00 0.14 0.17 0.00 -1.57 0.00 0.00 175.55 174.29 2i1t s ALA 23 N 0.38 3.88 0.44 3.71 0.00 0.24 -4.47 121.76 125.94 2i1t s ALA 23 Ca 0.03 -0.85 -0.04 0.00 0.00 0.00 0.00 51.96 51.09 2i1t s ALA 23 Cb -0.12 -1.76 -0.04 0.00 0.00 0.00 0.00 23.12 21.20 2i1t s ALA 23 CO 0.00 0.78 0.72 0.00 0.00 0.00 0.00 175.76 177.26 2i1t s SER 25 N -3.98 0.59 0.05 0.00 0.01 1.00 -4.92 113.70 106.44 2i1t s SER 25 Ca 0.46 0.37 -0.16 0.00 1.31 0.00 0.00 55.95 57.93 2i1t s SER 25 Cb -0.10 0.33 -0.23 0.00 0.21 0.00 0.00 66.02 66.22 2i1t s SER 25 CO 0.41 -0.23 1.16 0.50 0.41 0.00 0.00 173.24 175.49 2i1t h LYS 26 N 8.22 0.61 -0.77 12.44 1.63 -1.78 0.39 116.57 137.32 2i1t h LYS 26 Ca -0.17 -0.66 0.03 0.00 -0.85 0.00 0.00 60.65 59.01 2i1t h LYS 26 Cb 1.12 0.19 -0.04 0.00 -0.60 0.00 0.00 32.23 32.89 2i1t h LYS 26 CO 0.17 1.26 0.50 1.15 -3.45 0.00 0.00 179.45 179.08 2i1t h THR 27 N 0.23 1.13 0.13 1.00 2.02 -1.95 -2.58 112.91 112.88 2i1t h THR 27 Ca -0.11 -0.32 -0.33 0.00 0.77 0.00 0.00 66.41 66.41 2i1t h THR 27 Cb 1.57 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 2i1t h THR 27 CO 0.18 0.17 -1.69 -0.50 0.37 0.00 0.00 175.52 174.04 2i1t h TRP 28 N 0.95 0.50 0.00 3.16 6.55 -1.95 -3.48 115.95 121.68 2i1t h TRP 28 Ca 0.30 -0.37 0.00 0.00 0.95 0.00 0.00 58.89 59.77 2i1t h TRP 28 Cb 0.03 -0.02 0.00 0.00 -0.86 0.00 0.00 29.16 28.31 2i1t h TRP 28 CO -0.00 1.51 0.00 0.41 -1.05 0.00 0.00 178.44 179.31 2i1t n GLY 29 N 1.77 0.81 3.60 1.49 0.00 0.13 -5.05 105.19 107.94 2i1t n GLY 29 Ca -0.22 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.46 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 0.73 -0.07 1.61 -2.14 -0.94 -1.95 118.94 114.18 2i1t s TRP 30 Ca 0.00 -1.11 0.01 0.00 2.66 0.00 0.00 56.10 57.66 2i1t s TRP 30 Cb 0.00 0.22 0.02 0.00 -3.10 0.00 0.00 33.47 30.61 2i1t s TRP 30 CO 0.00 -1.27 -0.09 0.00 -2.66 0.00 0.00 176.95 172.94 2i1t n ALA 32 N 4.18 -0.41 -1.76 0.00 0.00 -0.24 -2.21 120.51 120.05 2i1t n ALA 32 Ca -0.20 -1.35 -0.41 0.00 0.00 0.00 0.00 53.44 51.47 2i1t n ALA 32 Cb 0.51 1.09 -0.01 0.00 0.00 0.00 0.00 19.45 21.04 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 -2.71 2.01 -0.30 0.00 1.01 -1.25 0.82 120.40 119.98 2i1t s VAL 33 Ca 0.24 0.01 -0.04 0.00 0.00 0.00 0.00 61.98 62.19 2i1t s VAL 33 Cb -0.01 -3.00 0.04 0.00 0.00 0.00 0.00 36.38 33.40 2i1t s VAL 33 CO 0.17 0.00 0.02 -0.70 0.00 0.00 0.00 175.10 174.59 2i1t s GLU 34 N -1.23 2.66 -0.01 2.72 2.12 -1.24 -4.75 118.70 118.97 2i1t s GLU 34 Ca 0.59 -1.12 -0.24 0.00 0.36 0.00 0.00 54.97 54.56 2i1t s GLU 34 Cb -0.48 -3.23 -0.17 0.00 0.26 0.00 0.00 34.13 30.51 2i1t s GLU 34 CO 0.55 -0.56 1.14 0.00 -0.54 0.00 0.00 175.26 175.85 2i1t h ALA 35 N 8.09 -0.28 0.00 6.30 0.00 -1.94 -3.49 119.26 127.94 2i1t h ALA 35 Ca -0.26 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2i1t h ALA 35 Cb 1.09 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2i1t h ALA 35 CO 0.57 -0.43 0.00 -0.35 0.00 0.00 0.00 179.25 179.04