#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ms1 n LYS 3 N 0.00 2.31 -0.35 0.00 4.01 -1.26 -4.92 118.16 117.95 3ms1 n LYS 3 Ca 0.00 0.00 0.03 0.00 -0.51 0.00 0.00 58.31 57.83 3ms1 n LYS 3 Cb 0.00 0.00 0.10 0.00 -0.51 0.00 0.00 35.03 34.62 3ms1 n LYS 3 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 3ms1 h HIS 4 N 0.00 -0.71 -2.68 2.13 3.86 -2.13 -3.37 115.15 112.25 3ms1 h HIS 4 Ca 0.00 0.09 -0.56 0.00 -1.16 0.00 0.00 60.37 58.75 3ms1 h HIS 4 Cb 0.00 0.46 -0.02 0.00 1.06 0.00 0.00 27.41 28.91 3ms1 h HIS 4 CO 0.00 -0.41 1.08 -1.25 0.86 0.00 0.00 177.93 178.20 3ms1 s PRO 5 N -6.15 4.08 -0.11 2.45 0.04 -1.26 -4.97 135.00 129.07 3ms1 s PRO 5 Ca -0.15 1.98 -0.10 0.00 0.04 0.00 0.00 61.00 62.78 3ms1 s PRO 5 Cb 0.24 -3.97 0.03 0.00 0.04 0.00 0.00 34.50 30.84 3ms1 s PRO 5 CO 0.75 -0.96 0.30 0.08 0.04 0.00 0.00 177.00 177.22 3ms1 s VAL 6 N 4.31 -0.01 0.06 -0.36 1.01 -1.26 -4.39 120.40 119.76 3ms1 s VAL 6 Ca 0.71 0.03 -0.31 0.00 0.00 0.00 0.00 61.98 62.41 3ms1 s VAL 6 Cb -0.30 -0.43 -0.07 0.00 0.00 0.00 0.00 36.38 35.58 3ms1 s VAL 6 CO 0.27 0.01 1.49 -2.84 0.00 0.00 0.00 175.10 174.03 3ms1 s PRO 7 N 0.39 4.26 0.17 2.72 0.02 -1.26 -4.92 135.00 136.37 3ms1 s PRO 7 Ca -0.02 2.13 0.00 0.00 0.02 0.00 0.00 61.00 63.14 3ms1 s PRO 7 Cb -0.04 -3.48 0.04 0.00 0.02 0.00 0.00 34.50 31.05 3ms1 s PRO 7 CO -0.02 -0.60 1.41 -0.22 -0.33 0.00 0.00 177.00 177.25 3ms1 h LYS 8 N 7.68 0.32 -3.28 5.54 1.63 -2.01 -3.46 116.57 122.99 3ms1 h LYS 8 Ca -0.41 -0.29 -0.18 0.00 -0.85 0.00 0.00 60.65 58.92 3ms1 h LYS 8 Cb 1.19 0.07 -0.26 0.00 -0.60 0.00 0.00 32.23 32.64 3ms1 h LYS 8 CO 0.90 0.96 -0.49 0.15 -3.45 0.00 0.00 179.45 177.52 3ms1 s LYS 9 N -3.45 0.23 -0.32 1.90 -0.14 -1.26 -5.10 119.74 111.60 3ms1 s LYS 9 Ca -0.05 0.24 -0.31 0.00 -1.36 0.00 0.00 55.97 54.49 3ms1 s LYS 9 Cb 0.10 0.11 -0.09 0.00 -1.68 0.00 0.00 37.83 36.28 3ms1 s LYS 9 CO 0.83 -0.03 2.24 1.17 -0.76 0.00 0.00 175.35 178.80 3ms1 n LYS 10 N 2.91 1.40 -1.69 1.68 4.81 -1.26 -4.86 118.16 121.15 3ms1 n LYS 10 Ca -0.13 0.36 -0.44 0.00 -0.87 0.00 0.00 58.31 57.23 3ms1 n LYS 10 Cb 0.59 -2.83 -0.03 0.00 0.02 0.00 0.00 35.03 32.78 3ms1 n LYS 10 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 3ms1 n THR 11 N 7.51 0.85 -1.90 3.15 -2.24 -1.26 -4.90 114.28 115.49 3ms1 n THR 11 Ca 0.37 -0.21 -0.40 0.00 -2.27 0.00 0.00 64.05 61.54 3ms1 n THR 11 Cb 0.34 -1.60 0.01 0.00 -2.10 0.00 0.00 70.33 66.97 3ms1 n THR 11 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3ms1 s SER 12 N 0.42 6.10 0.38 3.42 1.04 -1.26 -4.81 113.70 118.99 3ms1 s SER 12 Ca 0.68 2.83 0.12 0.00 0.48 0.00 0.00 55.95 60.07 3ms1 s SER 12 Cb -0.61 -2.65 0.92 0.00 0.10 0.00 0.00 66.02 63.77 3ms1 s SER 12 CO 0.48 -1.02 1.86 0.07 0.98 0.00 0.00 173.24 175.62 3ms1 h LYS 13 N 2.54 0.56 0.08 4.02 2.10 -1.99 0.16 116.57 124.05 3ms1 h LYS 13 Ca -0.50 -0.03 -0.00 0.00 -2.00 0.00 0.00 60.65 58.11 3ms1 h LYS 13 Cb 1.26 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 3ms1 h LYS 13 CO 0.62 0.37 -0.04 0.00 -2.00 0.00 0.00 179.45 178.40 3ms1 h ALA 14 N 1.61 -0.11 -0.47 0.07 0.00 -2.00 -2.23 119.26 116.12 3ms1 h ALA 14 Ca 0.45 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 3ms1 h ALA 14 Cb 0.88 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3ms1 h ALA 14 CO -0.20 -0.44 0.24 -0.09 0.00 0.00 0.00 179.25 178.76 3ms1 h ARG 15 N -0.36 0.65 0.41 0.00 2.43 -1.62 -2.43 114.38 113.47 3ms1 h ARG 15 Ca -0.01 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.07 3ms1 h ARG 15 Cb 0.30 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 3ms1 h ARG 15 CO 0.02 0.50 -0.20 -0.09 -1.51 0.00 0.00 179.97 178.69 3ms1 h ARG 16 N 0.66 -0.53 -0.87 0.20 2.43 -0.89 -2.92 114.38 112.46 3ms1 h ARG 16 Ca 0.17 0.04 0.11 0.00 -0.81 0.00 0.00 59.98 59.49 3ms1 h ARG 16 Cb 0.04 0.12 -0.07 0.00 -0.42 0.00 0.00 29.97 29.65 3ms1 h ARG 16 CO -0.03 -0.28 0.56 -0.44 -1.51 0.00 0.00 179.97 178.28 3ms1 h ASP 17 N -0.69 0.72 -0.81 -3.80 3.32 -1.20 -1.36 116.42 112.59 3ms1 h ASP 17 Ca -0.06 0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.05 3ms1 h ASP 17 Cb 0.50 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.88 3ms1 h ASP 17 CO 0.09 0.40 0.52 0.00 -1.72 0.00 0.00 179.24 178.54 3ms1 h ALA 18 N 1.58 1.06 -0.72 3.45 0.00 -1.30 -2.40 119.26 120.92 3ms1 h ALA 18 Ca 0.42 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.38 3ms1 h ALA 18 Cb 0.53 -0.29 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 3ms1 h ALA 18 CO -0.18 0.37 0.36 -0.09 0.00 0.00 0.00 179.25 179.71 3ms1 h ARG 19 N 1.03 0.60 -1.06 0.00 2.43 -1.06 -0.23 114.38 116.10 3ms1 h ARG 19 Ca 0.32 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 3ms1 h ARG 19 Cb -0.03 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 3ms1 h ARG 19 CO -0.10 0.40 0.00 0.54 -1.51 0.00 0.00 179.97 179.30 3ms1 n ARG 20 N -4.85 0.89 0.29 0.20 1.74 -0.91 -4.15 116.66 109.88 3ms1 n ARG 20 Ca 0.11 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 57.04 3ms1 n ARG 20 Cb 0.27 -1.15 -0.08 0.00 -1.02 0.00 0.00 32.46 30.49 3ms1 n ARG 20 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3ms1 h SER 21 N 0.19 -0.63 0.34 0.55 0.87 -1.09 -2.88 113.55 110.90 3ms1 h SER 21 Ca 0.00 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 3ms1 h SER 21 Cb 0.79 0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.91 3ms1 h SER 21 CO 0.00 -0.29 0.00 1.41 -0.53 0.00 0.00 176.83 177.42 3ms1 n HIS 22 N -5.32 0.00 0.28 2.24 8.25 -1.26 -3.71 115.22 115.70 3ms1 n HIS 22 Ca -0.11 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.48 3ms1 n HIS 22 Cb 0.33 -0.19 0.84 0.00 1.12 0.00 0.00 29.99 32.09 3ms1 n HIS 22 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3ms1 h HIS 23 N 0.00 0.00 -2.99 4.41 6.17 -1.75 -3.44 115.15 117.55 3ms1 h HIS 23 Ca 0.00 0.00 -0.58 0.00 0.71 0.00 0.00 60.37 60.50 3ms1 h HIS 23 Cb 0.17 0.00 0.11 0.00 2.52 0.00 0.00 27.41 30.21 3ms1 h HIS 23 CO 0.00 0.03 0.38 0.00 0.71 0.00 0.00 177.93 179.05 3ms1 n ALA 24 N -2.34 0.74 -1.19 5.26 0.00 -1.24 -4.98 120.51 116.75 3ms1 n ALA 24 Ca -0.03 0.37 -0.15 0.00 0.00 0.00 0.00 53.44 53.64 3ms1 n ALA 24 Cb 0.12 -2.17 0.18 0.00 0.00 0.00 0.00 19.45 17.58 3ms1 n ALA 24 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ms1 n LEU 25 N 0.99 0.00 -3.79 0.00 4.77 -1.26 -5.09 117.00 112.62 3ms1 n LEU 25 Ca 0.07 -0.93 -0.14 0.00 -0.03 0.00 0.00 56.01 54.98 3ms1 n LEU 25 Cb 0.34 -0.76 -0.15 0.00 -2.33 0.00 0.00 43.42 40.52 3ms1 n LEU 25 CO 0.61 -1.73 -0.31 0.42 -1.33 0.00 0.00 177.39 175.05 3ms1 s THR 26 N -2.65 -0.04 0.42 -5.08 -4.23 -1.26 -5.14 115.64 97.65 3ms1 s THR 26 Ca 0.54 0.15 -0.26 0.00 -1.18 0.00 0.00 61.69 60.94 3ms1 s THR 26 Cb -0.04 -0.11 -0.09 0.00 1.34 0.00 0.00 72.50 73.59 3ms1 s THR 26 CO 0.41 0.06 1.43 -2.16 -0.54 0.00 0.00 174.62 173.82 3ms1 s PRO 27 N 0.82 3.85 0.93 3.99 0.04 -1.26 -4.99 135.00 138.39 3ms1 s PRO 27 Ca -0.07 2.43 -0.11 0.00 0.04 0.00 0.00 61.00 63.29 3ms1 s PRO 27 Cb -0.09 -2.77 0.15 0.00 0.04 0.00 0.00 34.50 31.83 3ms1 s PRO 27 CO -0.03 -0.69 1.09 -1.25 0.04 0.00 0.00 177.00 176.16 3ms1 s PRO 28 N -2.31 0.96 -0.14 0.56 0.04 -1.26 -5.04 135.00 127.81 3ms1 s PRO 28 Ca 0.58 0.92 -0.03 0.00 0.04 0.00 0.00 61.00 62.51 3ms1 s PRO 28 Cb -0.44 -1.77 -0.03 0.00 0.04 0.00 0.00 34.50 32.31 3ms1 s PRO 28 CO 0.57 -2.47 -0.04 0.42 0.04 0.00 0.00 177.00 175.52 3ms1 s ILE 29 N -2.83 3.90 0.06 0.56 -1.09 -1.26 -5.11 121.20 115.42 3ms1 s ILE 29 Ca 0.64 -0.37 -0.01 0.00 -2.23 0.00 0.00 60.65 58.69 3ms1 s ILE 29 Cb -0.19 -2.69 -0.04 0.00 -1.58 0.00 0.00 42.46 37.96 3ms1 s ILE 29 CO 0.58 0.52 -0.02 -0.76 -1.23 0.00 0.00 174.94 174.03 3ms1 s LEU 30 N 0.11 2.41 -0.03 2.97 1.43 -1.26 -4.41 118.68 119.90 3ms1 s LEU 30 Ca -0.01 -1.01 -0.07 0.00 -1.03 0.00 0.00 54.13 52.01 3ms1 s LEU 30 Cb -0.14 0.23 0.01 0.00 0.03 0.00 0.00 46.19 46.32 3ms1 s LEU 30 CO 0.03 -0.61 0.16 0.68 0.23 0.00 0.00 176.35 176.84 3ms1 s VAL 31 N -3.93 0.05 0.27 -1.59 -7.23 0.14 -4.92 120.40 103.19 3ms1 s VAL 31 Ca 0.08 -0.42 -0.30 0.00 -1.81 0.00 0.00 61.98 59.53 3ms1 s VAL 31 Cb 0.08 -0.38 -0.11 0.00 0.56 0.00 0.00 36.38 36.53 3ms1 s VAL 31 CO -0.09 -0.23 1.61 -2.84 -0.31 0.00 0.00 175.10 173.24 3ms1 s PRO 32 N -0.82 4.13 0.44 4.82 0.02 -1.26 -0.05 135.00 142.28 3ms1 s PRO 32 Ca -0.09 2.56 -0.01 0.00 0.02 0.00 0.00 61.00 63.48 3ms1 s PRO 32 Cb -0.05 -3.04 -0.02 0.00 0.02 0.00 0.00 34.50 31.41 3ms1 s PRO 32 CO 0.01 -0.64 0.67 0.00 -0.33 0.00 0.00 177.00 176.71 3ms1 h PRO 34 N 0.43 0.64 0.00 0.00 0.13 -1.95 -3.41 132.00 127.84 3ms1 h PRO 34 Ca -0.47 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 3ms1 h PRO 34 Cb 1.24 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3ms1 h PRO 34 CO 0.59 0.64 0.00 0.39 -0.23 0.00 0.00 178.00 179.39 3ms1 n GLU 35 N -4.27 0.00 -0.64 0.86 4.71 -1.26 -4.95 120.64 115.10 3ms1 n GLU 35 Ca 0.02 0.00 -0.29 0.00 -0.01 0.00 0.00 57.16 56.88 3ms1 n GLU 35 Cb 0.25 0.00 0.26 0.00 -1.01 0.00 0.00 31.44 30.94 3ms1 n GLU 35 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3ms1 n LYS 37 N -5.11 0.51 -1.32 0.00 4.81 -1.26 -3.95 118.16 111.84 3ms1 n LYS 37 Ca 0.08 0.03 -0.37 0.00 -0.87 0.00 0.00 58.31 57.18 3ms1 n LYS 37 Cb 0.58 -1.50 0.06 0.00 0.02 0.00 0.00 35.03 34.18 3ms1 n LYS 37 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3ms1 n ALA 38 N -1.20 -1.52 -3.07 3.14 0.00 -1.26 -4.49 120.51 112.11 3ms1 n ALA 38 Ca 0.15 -0.17 -0.45 0.00 0.00 0.00 0.00 53.44 52.96 3ms1 n ALA 38 Cb 0.18 -1.82 -0.06 0.00 0.00 0.00 0.00 19.45 17.75 3ms1 n ALA 38 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3ms1 s MET 39 N -2.47 3.01 0.24 0.00 1.00 -1.26 -1.96 119.30 117.85 3ms1 s MET 39 Ca 0.66 -1.42 -0.11 0.00 0.00 0.00 0.00 55.69 54.82 3ms1 s MET 39 Cb -0.38 -4.22 -0.07 0.00 0.00 0.00 0.00 34.83 30.16 3ms1 s MET 39 CO 0.58 -1.27 0.58 0.15 0.00 0.00 0.00 175.02 175.06 3ms1 s LYS 40 N 1.96 3.85 0.24 2.03 1.02 0.93 -4.63 119.74 125.13 3ms1 s LYS 40 Ca 0.07 0.35 -0.30 0.00 0.02 0.00 0.00 55.97 56.11 3ms1 s LYS 40 Cb -0.26 -2.63 -0.09 0.00 -0.52 0.00 0.00 37.83 34.33 3ms1 s LYS 40 CO 0.06 0.30 1.18 -1.25 -0.92 0.00 0.00 175.35 174.73 3ms1 s PRO 41 N -2.78 4.52 0.34 -1.68 0.04 -1.26 0.25 135.00 134.43 3ms1 s PRO 41 Ca 0.48 1.90 -0.26 0.00 0.04 0.00 0.00 61.00 63.16 3ms1 s PRO 41 Cb -0.11 -3.20 -0.13 0.00 0.04 0.00 0.00 34.50 31.10 3ms1 s PRO 41 CO 0.20 -0.00 0.91 -2.30 0.04 0.00 0.00 177.00 175.85 3ms1 n PRO 42 N 1.83 1.16 -3.28 0.56 -0.02 -1.26 -3.21 135.00 130.78 3ms1 n PRO 42 Ca 0.02 0.41 -0.15 0.00 -2.02 0.00 0.00 63.50 61.76 3ms1 n PRO 42 Cb 0.44 -1.80 0.08 0.00 -0.02 0.00 0.00 33.50 32.20 3ms1 n PRO 42 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3ms1 n HIS 43 N -0.14 -2.22 -3.45 6.00 8.25 -1.26 -5.02 115.22 117.37 3ms1 n HIS 43 Ca 0.10 0.87 -0.11 0.00 -0.26 0.00 0.00 57.72 58.31 3ms1 n HIS 43 Cb 0.35 -4.55 -0.02 0.00 1.12 0.00 0.00 29.99 26.89 3ms1 n HIS 43 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3ms1 s THR 44 N -3.36 0.00 0.00 1.59 2.01 -1.20 -5.17 115.64 109.52 3ms1 s THR 44 Ca 0.20 -0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.14 3ms1 s THR 44 Cb -0.03 -1.07 0.00 0.00 0.01 0.00 0.00 72.50 71.42 3ms1 s THR 44 CO 0.70 0.00 0.00 0.52 -0.69 0.00 0.00 174.62 175.15 3ms1 n VAL 45 N -0.38 0.00 0.00 3.82 0.31 -1.26 -4.91 118.33 115.91 3ms1 n VAL 45 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 3ms1 n VAL 45 Cb 0.64 -0.28 0.00 0.00 -0.91 0.00 0.00 33.84 33.29 3ms1 n VAL 45 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ms1 s PRO 47 N -1.17 3.19 -1.66 0.00 0.04 -1.26 -1.92 135.00 132.23 3ms1 s PRO 47 Ca 0.00 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.65 3ms1 s PRO 47 Cb 0.00 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.56 3ms1 s PRO 47 CO 0.00 -0.98 0.00 -1.91 0.04 0.00 0.00 177.00 174.15 3ms1 n GLU 48 N -1.54 -1.47 0.00 4.56 4.07 -1.26 -4.70 120.64 120.30 3ms1 n GLU 48 Ca 0.12 0.94 0.00 0.00 -0.06 0.00 0.00 57.16 58.16 3ms1 n GLU 48 Cb 0.51 -5.45 0.00 0.00 -0.06 0.00 0.00 31.44 26.44 3ms1 n GLU 48 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3ms1 n GLY 50 N -0.34 -1.09 0.20 0.00 0.00 -0.81 -4.86 105.19 98.29 3ms1 n GLY 50 Ca 0.00 -1.32 -0.00 0.00 0.00 0.00 0.00 46.02 44.69 3ms1 n GLY 50 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3ms1 n TYR 51 N 0.00 -0.56 -3.92 1.61 9.36 -1.26 -4.19 117.16 118.20 3ms1 n TYR 51 Ca 0.00 -0.06 -0.10 0.00 3.32 0.00 0.00 57.90 61.05 3ms1 n TYR 51 Cb 0.00 0.03 -0.12 0.00 -0.63 0.00 0.00 39.34 38.62 3ms1 n TYR 51 CO 0.00 0.00 0.00 1.52 0.22 0.00 0.00 176.86 178.60 3ms1 s TYR 52 N -5.46 0.12 0.00 2.98 -0.85 -1.26 -5.18 117.35 107.70 3ms1 s TYR 52 Ca 0.01 -0.25 0.00 0.00 -0.52 0.00 0.00 57.07 56.31 3ms1 s TYR 52 Cb -0.00 -0.09 0.00 0.00 0.38 0.00 0.00 41.96 42.24 3ms1 s TYR 52 CO 0.00 -0.12 0.00 0.00 -1.52 0.00 0.00 175.55 173.91