#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d5d n LYS 3 N 0.00 1.37 -0.36 0.00 4.01 -1.26 -4.96 118.16 116.96 3d5d n LYS 3 Ca 0.00 0.00 0.05 0.00 -0.51 0.00 0.00 58.31 57.85 3d5d n LYS 3 Cb 0.00 0.00 0.13 0.00 -0.51 0.00 0.00 35.03 34.65 3d5d n LYS 3 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 3d5d n HIS 4 N -0.79 0.32 -1.60 2.13 8.25 -1.26 -3.92 115.22 118.35 3d5d n HIS 4 Ca 0.00 1.22 -0.34 0.00 -0.26 0.00 0.00 57.72 58.34 3d5d n HIS 4 Cb 0.00 -1.05 -0.03 0.00 1.12 0.00 0.00 29.99 30.02 3d5d n HIS 4 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3d5d s PRO 5 N -6.21 2.08 -0.03 -0.41 0.04 -1.26 -4.91 135.00 124.30 3d5d s PRO 5 Ca -0.15 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.13 3d5d s PRO 5 Cb 0.26 -4.60 0.03 0.00 0.04 0.00 0.00 34.50 30.23 3d5d s PRO 5 CO 0.77 -3.38 0.01 0.08 0.04 0.00 0.00 177.00 174.52 3d5d s VAL 6 N 12.29 0.11 0.43 -0.36 1.01 -1.25 -4.47 120.40 128.16 3d5d s VAL 6 Ca 0.95 0.12 -0.26 0.00 0.00 0.00 0.00 61.98 62.79 3d5d s VAL 6 Cb -0.16 -0.22 -0.09 0.00 0.00 0.00 0.00 36.38 35.91 3d5d s VAL 6 CO 0.23 0.13 1.44 -2.84 0.00 0.00 0.00 175.10 174.06 3d5d s PRO 7 N 1.02 3.80 -0.16 2.72 0.02 -1.26 -4.96 135.00 136.19 3d5d s PRO 7 Ca -0.10 2.44 -0.26 0.00 0.02 0.00 0.00 61.00 63.11 3d5d s PRO 7 Cb -0.13 -2.74 -0.24 0.00 0.02 0.00 0.00 34.50 31.41 3d5d s PRO 7 CO -0.02 -0.73 0.57 -0.22 -0.33 0.00 0.00 177.00 176.26 3d5d h LYS 8 N 2.51 0.01 -5.53 5.54 1.63 -2.01 -3.48 116.57 115.24 3d5d h LYS 8 Ca -0.51 -0.02 -0.44 0.00 -0.85 0.00 0.00 60.65 58.83 3d5d h LYS 8 Cb 1.26 0.01 -0.19 0.00 -0.60 0.00 0.00 32.23 32.71 3d5d h LYS 8 CO 0.62 1.01 -0.77 0.15 -3.45 0.00 0.00 179.45 177.01 3d5d s LYS 9 N -2.28 1.05 -0.44 1.90 -0.14 -1.26 -5.08 119.74 113.48 3d5d s LYS 9 Ca -0.22 -1.24 -0.27 0.00 -1.36 0.00 0.00 55.97 52.88 3d5d s LYS 9 Cb 0.00 -0.99 -0.04 0.00 -1.68 0.00 0.00 37.83 35.13 3d5d s LYS 9 CO 0.66 0.20 2.09 0.21 -0.76 0.00 0.00 175.35 177.74 3d5d s LYS 10 N -2.58 2.69 -0.41 1.68 2.20 -1.26 -4.86 119.74 117.20 3d5d s LYS 10 Ca 0.09 1.29 -0.41 0.00 -0.36 0.00 0.00 55.97 56.58 3d5d s LYS 10 Cb -0.06 -4.41 -0.16 0.00 -1.51 0.00 0.00 37.83 31.69 3d5d s LYS 10 CO 0.04 -2.62 1.97 0.25 -0.36 0.00 0.00 175.35 174.63 3d5d n THR 11 N 7.61 0.13 -1.53 3.43 -2.24 -1.26 -4.77 114.28 115.65 3d5d n THR 11 Ca 0.28 -0.08 -0.51 0.00 -2.27 0.00 0.00 64.05 61.47 3d5d n THR 11 Cb 0.51 -0.98 -0.05 0.00 -2.10 0.00 0.00 70.33 67.71 3d5d n THR 11 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3d5d n SER 12 N 7.08 0.59 0.33 3.42 3.41 -1.26 -4.68 113.62 122.51 3d5d n SER 12 Ca 0.41 1.14 0.16 0.00 -0.26 0.00 0.00 58.87 60.32 3d5d n SER 12 Cb 0.07 -1.11 0.84 0.00 -0.26 0.00 0.00 64.21 63.75 3d5d n SER 12 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 3d5d h LYS 13 N 2.84 0.00 -0.06 4.33 2.10 -2.00 0.74 116.57 124.52 3d5d h LYS 13 Ca -0.42 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.11 3d5d h LYS 13 Cb 1.38 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.72 3d5d h LYS 13 CO 0.66 0.00 -0.43 0.00 -2.00 0.00 0.00 179.45 177.68 3d5d h ALA 14 N 1.39 0.13 -0.47 0.07 0.00 -2.00 -3.19 119.26 115.19 3d5d h ALA 14 Ca 0.00 -0.49 -0.12 0.00 0.00 0.00 0.00 54.91 54.30 3d5d h ALA 14 Cb 0.61 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3d5d h ALA 14 CO 0.00 0.28 -0.19 -0.09 0.00 0.00 0.00 179.25 179.25 3d5d h ARG 15 N -0.09 0.94 -0.06 0.00 2.43 -1.21 -2.70 114.38 113.69 3d5d h ARG 15 Ca -0.04 -0.38 0.01 0.00 -0.81 0.00 0.00 59.98 58.77 3d5d h ARG 15 Cb 1.10 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.58 3d5d h ARG 15 CO 0.09 1.04 -0.26 -0.09 -1.51 0.00 0.00 179.97 179.24 3d5d h ARG 16 N 0.82 -0.28 -0.68 0.20 2.43 -1.43 0.22 114.38 115.66 3d5d h ARG 16 Ca 0.11 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.43 3d5d h ARG 16 Cb 0.75 0.06 -0.09 0.00 -0.42 0.00 0.00 29.97 30.27 3d5d h ARG 16 CO 0.06 -0.18 0.24 -0.44 -1.51 0.00 0.00 179.97 178.13 3d5d h ASP 17 N -0.29 0.19 -0.51 -3.80 3.32 -1.60 -0.02 116.42 113.72 3d5d h ASP 17 Ca 0.01 0.10 0.09 0.00 0.02 0.00 0.00 57.03 57.26 3d5d h ASP 17 Cb 0.33 0.10 -0.08 0.00 0.22 0.00 0.00 39.33 39.90 3d5d h ASP 17 CO -0.21 0.08 0.06 0.00 -1.72 0.00 0.00 179.24 177.46 3d5d h ALA 18 N 1.50 0.54 -0.39 3.45 0.00 -1.02 -1.25 119.26 122.09 3d5d h ALA 18 Ca 0.36 0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.48 3d5d h ALA 18 Cb 0.53 0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.44 3d5d h ALA 18 CO -0.39 -0.34 -0.11 -0.09 0.00 0.00 0.00 179.25 178.33 3d5d h ARG 19 N 0.19 -0.01 -1.02 0.00 2.43 0.14 -0.79 114.38 115.31 3d5d h ARG 19 Ca 0.26 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 3d5d h ARG 19 Cb 0.37 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 3d5d h ARG 19 CO -0.37 -0.01 0.00 0.54 -1.51 0.00 0.00 179.97 178.62 3d5d n ARG 20 N -5.31 0.68 0.18 0.20 1.74 -0.48 -4.29 116.66 109.38 3d5d n ARG 20 Ca 0.02 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.01 3d5d n ARG 20 Cb 0.22 -1.24 -0.05 0.00 -1.02 0.00 0.00 32.46 30.37 3d5d n ARG 20 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3d5d h SER 21 N 0.49 -0.65 0.00 0.55 0.87 -1.08 -2.30 113.55 111.43 3d5d h SER 21 Ca 0.00 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 3d5d h SER 21 Cb 0.52 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.69 3d5d h SER 21 CO 0.00 -0.35 0.00 1.41 -0.53 0.00 0.00 176.83 177.36 3d5d n HIS 22 N -3.83 0.00 0.27 2.24 8.25 -1.26 -3.61 115.22 117.27 3d5d n HIS 22 Ca -0.07 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.54 3d5d n HIS 22 Cb 0.24 0.00 0.75 0.00 1.12 0.00 0.00 29.99 32.10 3d5d n HIS 22 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3d5d h HIS 23 N 0.00 0.00 -3.61 4.41 6.17 -1.68 -3.45 115.15 116.99 3d5d h HIS 23 Ca 0.00 0.00 -0.55 0.00 0.71 0.00 0.00 60.37 60.53 3d5d h HIS 23 Cb 0.00 0.00 0.18 0.00 2.52 0.00 0.00 27.41 30.11 3d5d h HIS 23 CO 0.00 0.09 -0.09 0.00 0.71 0.00 0.00 177.93 178.65 3d5d n ALA 24 N -2.21 -0.82 -1.47 5.26 0.00 -1.24 -5.01 120.51 115.03 3d5d n ALA 24 Ca -0.01 -0.26 -0.11 0.00 0.00 0.00 0.00 53.44 53.06 3d5d n ALA 24 Cb 0.25 -2.02 0.11 0.00 0.00 0.00 0.00 19.45 17.79 3d5d n ALA 24 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3d5d n LEU 25 N -1.40 0.00 -3.61 0.00 4.77 -1.26 -5.10 117.00 110.39 3d5d n LEU 25 Ca 0.12 -0.75 -0.17 0.00 -0.03 0.00 0.00 56.01 55.17 3d5d n LEU 25 Cb 0.50 -0.52 -0.15 0.00 -2.33 0.00 0.00 43.42 40.92 3d5d n LEU 25 CO 0.49 -0.99 -0.22 0.42 -1.33 0.00 0.00 177.39 175.76 3d5d s THR 26 N -2.49 -0.29 0.31 -5.08 -4.23 -1.26 -5.14 115.64 97.47 3d5d s THR 26 Ca 0.39 0.17 -0.27 0.00 -1.18 0.00 0.00 61.69 60.79 3d5d s THR 26 Cb -0.01 -0.45 -0.14 0.00 1.34 0.00 0.00 72.50 73.24 3d5d s THR 26 CO 0.27 0.01 0.95 -0.81 -0.54 0.00 0.00 174.62 174.50 3d5d n PRO 27 N 5.32 1.22 -0.43 3.99 -0.04 -1.26 -4.95 135.00 138.86 3d5d n PRO 27 Ca -0.05 0.43 -0.29 0.00 -0.04 0.00 0.00 63.50 63.55 3d5d n PRO 27 Cb 0.50 -1.80 0.27 0.00 -0.04 0.00 0.00 33.50 32.43 3d5d n PRO 27 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3d5d s PRO 28 N -1.59 -1.65 -0.16 0.54 0.04 -1.26 -5.03 135.00 125.89 3d5d s PRO 28 Ca 0.60 0.68 -0.00 0.00 0.04 0.00 0.00 61.00 62.32 3d5d s PRO 28 Cb -0.69 -1.48 -0.00 0.00 0.04 0.00 0.00 34.50 32.37 3d5d s PRO 28 CO 0.59 -4.17 -0.14 0.42 0.04 0.00 0.00 177.00 173.74 3d5d s ILE 29 N -2.35 2.72 0.05 0.56 -1.09 -1.26 -5.11 121.20 114.72 3d5d s ILE 29 Ca 0.69 -0.75 0.01 0.00 -2.23 0.00 0.00 60.65 58.37 3d5d s ILE 29 Cb -0.23 -2.16 -0.03 0.00 -1.58 0.00 0.00 42.46 38.46 3d5d s ILE 29 CO 0.64 0.51 -0.06 -0.76 -1.23 0.00 0.00 174.94 174.04 3d5d s LEU 30 N 0.89 2.33 0.04 2.97 1.43 -1.26 -4.16 118.68 120.92 3d5d s LEU 30 Ca -0.04 -0.68 -0.02 0.00 -1.03 0.00 0.00 54.13 52.36 3d5d s LEU 30 Cb -0.15 -0.04 -0.02 0.00 0.03 0.00 0.00 46.19 46.01 3d5d s LEU 30 CO -0.01 -0.33 0.02 0.68 0.23 0.00 0.00 176.35 176.94 3d5d s VAL 31 N -2.15 0.15 0.75 -1.59 -7.23 -0.36 -4.95 120.40 105.02 3d5d s VAL 31 Ca -0.05 -1.25 -0.15 0.00 -1.81 0.00 0.00 61.98 58.72 3d5d s VAL 31 Cb -0.05 -0.89 0.05 0.00 0.56 0.00 0.00 36.38 36.05 3d5d s VAL 31 CO -0.02 -0.69 1.22 -2.65 -0.31 0.00 0.00 175.10 172.64 3d5d n PRO 32 N 0.82 0.52 -4.35 4.82 -0.02 -1.26 -1.11 135.00 134.43 3d5d n PRO 32 Ca -0.19 0.25 -0.26 0.00 -2.02 0.00 0.00 63.50 61.27 3d5d n PRO 32 Cb 0.58 -2.45 -0.10 0.00 -0.02 0.00 0.00 33.50 31.51 3d5d n PRO 32 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3d5d h PRO 34 N 2.91 0.57 0.00 0.00 0.13 -1.95 -3.38 132.00 130.27 3d5d h PRO 34 Ca -0.46 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3d5d h PRO 34 Cb 1.21 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3d5d h PRO 34 CO 0.53 0.38 0.00 0.39 -0.23 0.00 0.00 178.00 179.07 3d5d n GLU 35 N -4.49 0.00 0.00 0.86 4.71 -1.26 -5.00 120.64 115.46 3d5d n GLU 35 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.27 3d5d n GLU 35 Cb 0.34 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.77 3d5d n GLU 35 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3d5d n LYS 37 N -1.00 0.45 -1.44 0.00 4.81 -1.26 -4.01 118.16 115.71 3d5d n LYS 37 Ca 0.00 -0.30 -0.39 0.00 -0.87 0.00 0.00 58.31 56.76 3d5d n LYS 37 Cb 0.00 -1.49 0.03 0.00 0.02 0.00 0.00 35.03 33.58 3d5d n LYS 37 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3d5d n ALA 38 N -1.02 -1.45 -3.25 3.14 0.00 -1.26 -4.48 120.51 112.19 3d5d n ALA 38 Ca 0.08 0.01 -0.46 0.00 0.00 0.00 0.00 53.44 53.08 3d5d n ALA 38 Cb 0.35 -1.76 -0.05 0.00 0.00 0.00 0.00 19.45 17.99 3d5d n ALA 38 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3d5d s MET 39 N -1.83 3.04 0.34 0.00 1.00 -1.26 -2.80 119.30 117.79 3d5d s MET 39 Ca 0.66 -1.63 -0.23 0.00 0.00 0.00 0.00 55.69 54.49 3d5d s MET 39 Cb -0.48 -4.30 -0.10 0.00 0.00 0.00 0.00 34.83 29.95 3d5d s MET 39 CO 0.57 -1.40 0.90 0.15 0.00 0.00 0.00 175.02 175.24 3d5d s LYS 40 N 1.88 4.39 0.38 2.03 1.02 -0.26 -4.62 119.74 124.55 3d5d s LYS 40 Ca 0.07 1.16 -0.28 0.00 0.02 0.00 0.00 55.97 56.93 3d5d s LYS 40 Cb -0.27 -2.59 -0.11 0.00 -0.52 0.00 0.00 37.83 34.34 3d5d s LYS 40 CO 0.03 0.19 1.46 -1.25 -0.92 0.00 0.00 175.35 174.86 3d5d s PRO 41 N -2.46 4.11 0.28 -1.68 0.04 -1.26 -1.23 135.00 132.80 3d5d s PRO 41 Ca 0.53 2.52 -0.29 0.00 0.04 0.00 0.00 61.00 63.81 3d5d s PRO 41 Cb -0.15 -2.96 -0.14 0.00 0.04 0.00 0.00 34.50 31.29 3d5d s PRO 41 CO 0.20 -0.51 1.16 -2.30 0.04 0.00 0.00 177.00 175.59 3d5d n PRO 42 N 0.46 1.64 -3.49 0.56 -0.02 -1.26 -2.90 135.00 129.99 3d5d n PRO 42 Ca 0.01 0.58 -0.21 0.00 -2.02 0.00 0.00 63.50 61.86 3d5d n PRO 42 Cb 0.40 -2.06 0.06 0.00 -0.02 0.00 0.00 33.50 31.87 3d5d n PRO 42 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3d5d n HIS 43 N 0.63 -2.15 -3.49 6.00 8.25 -1.26 -5.01 115.22 118.19 3d5d n HIS 43 Ca 0.09 0.77 -0.16 0.00 -0.26 0.00 0.00 57.72 58.16 3d5d n HIS 43 Cb 0.32 -4.17 -0.05 0.00 1.12 0.00 0.00 29.99 27.21 3d5d n HIS 43 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3d5d s THR 44 N -3.48 0.00 0.00 1.59 2.01 -1.14 -5.17 115.64 109.45 3d5d s THR 44 Ca 0.28 -0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.28 3d5d s THR 44 Cb -0.06 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.45 3d5d s THR 44 CO 0.79 -0.00 0.00 0.52 -0.69 0.00 0.00 174.62 175.23 3d5d n VAL 45 N 0.54 0.00 -3.64 3.82 0.31 -1.26 -4.81 118.33 113.28 3d5d n VAL 45 Ca -0.18 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.09 3d5d n VAL 45 Cb 0.59 -1.66 -0.07 0.00 -0.91 0.00 0.00 33.84 31.79 3d5d n VAL 45 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3d5d s PRO 47 N 0.18 3.15 -1.56 0.00 0.04 -1.26 -2.13 135.00 133.42 3d5d s PRO 47 Ca 0.05 2.16 -0.03 0.00 0.04 0.00 0.00 61.00 63.22 3d5d s PRO 47 Cb -0.05 -2.23 0.01 0.00 0.04 0.00 0.00 34.50 32.27 3d5d s PRO 47 CO -0.11 -1.16 0.34 -1.91 0.04 0.00 0.00 177.00 174.20 3d5d n GLU 48 N -1.06 -3.43 0.14 4.56 4.07 -1.26 -4.73 120.64 118.92 3d5d n GLU 48 Ca 0.11 0.87 0.00 0.00 -0.06 0.00 0.00 57.16 58.08 3d5d n GLU 48 Cb 0.46 -5.63 0.00 0.00 -0.06 0.00 0.00 31.44 26.20 3d5d n GLU 48 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3d5d n GLY 50 N 0.58 -1.54 0.00 0.00 0.00 -0.91 -4.84 105.19 98.49 3d5d n GLY 50 Ca 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.15 3d5d n GLY 50 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3d5d n TYR 51 N 0.00 -0.04 -3.76 1.61 9.36 -1.26 -4.16 117.16 118.91 3d5d n TYR 51 Ca 0.00 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.09 3d5d n TYR 51 Cb 0.00 0.00 -0.10 0.00 -0.63 0.00 0.00 39.34 38.61 3d5d n TYR 51 CO 0.00 0.00 0.00 1.52 0.22 0.00 0.00 176.86 178.60 3d5d s TYR 52 N -2.76 -0.29 0.00 2.98 -0.85 -1.26 -5.14 117.35 110.02 3d5d s TYR 52 Ca 0.00 0.65 0.00 0.00 -0.52 0.00 0.00 57.07 57.20 3d5d s TYR 52 Cb 0.00 0.11 0.00 0.00 0.38 0.00 0.00 41.96 42.45 3d5d s TYR 52 CO 0.00 -0.27 0.00 0.00 -1.52 0.00 0.00 175.55 173.76