#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kit n LYS 3 N 0.00 0.58 0.00 0.00 2.85 -1.26 -5.11 118.16 115.22 3kit n LYS 3 Ca 0.00 -2.80 0.00 0.00 -1.05 0.00 0.00 58.31 54.46 3kit n LYS 3 Cb 0.00 1.67 0.00 0.00 -0.65 0.00 0.00 35.03 36.05 3kit n LYS 3 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 177.40 178.93 3kit n HIS 4 N -0.70 0.00 -2.05 5.58 -0.00 -1.26 -4.69 115.22 112.10 3kit n HIS 4 Ca -0.03 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.30 3kit n HIS 4 Cb 0.50 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.48 3kit n HIS 4 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.34 174.20 3kit s PRO 5 N -0.38 4.01 -0.02 1.57 0.02 -1.26 -5.01 135.00 133.93 3kit s PRO 5 Ca 0.00 2.17 -0.05 0.00 0.02 0.00 0.00 61.00 63.14 3kit s PRO 5 Cb 0.00 -2.79 0.00 0.00 0.02 0.00 0.00 34.50 31.73 3kit s PRO 5 CO 0.00 -0.47 0.12 0.08 -0.33 0.00 0.00 177.00 176.40 3kit s VAL 6 N -1.25 0.05 0.18 3.83 1.01 -1.26 -5.06 120.40 117.90 3kit s VAL 6 Ca 0.56 -0.39 -0.32 0.00 0.00 0.00 0.00 61.98 61.83 3kit s VAL 6 Cb -0.38 -0.31 -0.11 0.00 0.00 0.00 0.00 36.38 35.58 3kit s VAL 6 CO 0.50 -0.21 1.63 -2.16 0.00 0.00 0.00 175.10 174.85 3kit s PRO 7 N -0.71 4.18 0.44 2.72 0.04 -1.26 -4.90 135.00 135.51 3kit s PRO 7 Ca -0.08 2.45 0.24 0.00 0.04 0.00 0.00 61.00 63.65 3kit s PRO 7 Cb -0.05 -3.14 0.57 0.00 0.04 0.00 0.00 34.50 31.92 3kit s PRO 7 CO 0.01 -0.66 1.68 -0.22 0.04 0.00 0.00 177.00 177.85 3kit h LYS 8 N 6.85 0.00 -2.74 4.56 1.63 -2.03 -3.46 116.57 121.38 3kit h LYS 8 Ca -0.43 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.26 3kit h LYS 8 Cb 1.20 0.00 -0.23 0.00 -0.60 0.00 0.00 32.23 32.61 3kit h LYS 8 CO 0.93 0.10 -0.21 0.15 -3.45 0.00 0.00 179.45 176.98 3kit s LYS 9 N -3.31 0.56 0.31 1.90 -0.14 -1.26 -5.13 119.74 112.68 3kit s LYS 9 Ca 0.05 0.40 -0.29 0.00 -1.36 0.00 0.00 55.97 54.77 3kit s LYS 9 Cb 0.07 0.27 -0.12 0.00 -1.68 0.00 0.00 37.83 36.36 3kit s LYS 9 CO 0.65 -0.10 1.43 1.17 -0.76 0.00 0.00 175.35 177.74 3kit n LYS 10 N 2.40 2.35 -2.37 1.68 4.81 -1.26 -4.90 118.16 120.88 3kit n LYS 10 Ca -0.15 0.83 -0.42 0.00 -0.87 0.00 0.00 58.31 57.69 3kit n LYS 10 Cb 0.57 -2.51 -0.03 0.00 0.02 0.00 0.00 35.03 33.08 3kit n LYS 10 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 3kit s THR 11 N -0.61 3.99 0.66 3.15 2.01 -1.26 -4.99 115.64 118.59 3kit s THR 11 Ca 0.60 1.37 -0.18 0.00 0.31 0.00 0.00 61.69 63.79 3kit s THR 11 Cb -0.55 -3.88 -0.00 0.00 0.01 0.00 0.00 72.50 68.08 3kit s THR 11 CO 0.56 0.03 1.29 -0.94 -0.69 0.00 0.00 174.62 174.88 3kit s SER 12 N 1.46 4.49 0.35 3.53 1.04 -1.26 -4.72 113.70 118.60 3kit s SER 12 Ca 0.59 2.61 0.08 0.00 0.48 0.00 0.00 55.95 59.71 3kit s SER 12 Cb -0.29 -2.62 0.78 0.00 0.10 0.00 0.00 66.02 64.00 3kit s SER 12 CO 0.26 -2.08 1.89 0.11 0.98 0.00 0.00 173.24 174.40 3kit h LYS 13 N 0.41 0.71 -0.23 4.02 1.57 -1.98 0.17 116.57 121.23 3kit h LYS 13 Ca -0.51 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.23 3kit h LYS 13 Cb 1.34 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 3kit h LYS 13 CO 0.52 0.47 0.12 0.00 -0.57 0.00 0.00 179.45 180.00 3kit h ALA 14 N 1.59 0.30 0.00 3.86 0.00 -1.99 0.49 119.26 123.52 3kit h ALA 14 Ca 0.41 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 55.12 3kit h ALA 14 Cb 0.57 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3kit h ALA 14 CO -0.17 -0.16 -0.63 -0.09 0.00 0.00 0.00 179.25 178.19 3kit h ARG 15 N 0.26 0.00 0.23 0.00 2.43 -1.55 -0.38 114.38 115.37 3kit h ARG 15 Ca 0.08 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 3kit h ARG 15 Cb 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 3kit h ARG 15 CO -0.01 0.63 -0.11 -0.09 -1.51 0.00 0.00 179.97 178.88 3kit h ARG 16 N 0.00 -0.30 -0.63 0.20 2.43 -0.52 -2.65 114.38 112.92 3kit h ARG 16 Ca -0.01 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 3kit h ARG 16 Cb 1.23 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.82 3kit h ARG 16 CO 0.08 0.04 0.26 -0.44 -1.51 0.00 0.00 179.97 178.40 3kit h ASP 17 N -0.67 0.83 0.10 -3.80 3.32 -0.89 -2.03 116.42 113.28 3kit h ASP 17 Ca -0.03 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 56.89 3kit h ASP 17 Cb 0.47 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 3kit h ASP 17 CO 0.05 0.74 -0.10 0.00 -1.72 0.00 0.00 179.24 178.21 3kit h ALA 18 N 1.39 1.84 0.00 3.45 0.00 -1.06 -1.00 119.26 123.88 3kit h ALA 18 Ca 0.22 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 3kit h ALA 18 Cb 0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3kit h ALA 18 CO -0.02 0.12 -0.49 -0.09 0.00 0.00 0.00 179.25 178.77 3kit h ARG 19 N 0.00 0.00 -0.24 0.00 2.43 -0.99 -2.67 114.38 112.91 3kit h ARG 19 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3kit h ARG 19 Cb 0.17 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 3kit h ARG 19 CO 0.01 0.49 0.00 0.54 -1.51 0.00 0.00 179.97 179.51 3kit n ARG 20 N -3.88 1.62 0.19 0.20 1.74 -0.39 -4.10 116.66 112.04 3kit n ARG 20 Ca -0.01 -0.96 0.17 0.00 -0.77 0.00 0.00 57.85 56.28 3kit n ARG 20 Cb 0.52 -1.25 0.82 0.00 -1.02 0.00 0.00 32.46 31.53 3kit n ARG 20 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3kit h SER 21 N 1.63 0.00 0.07 0.55 4.64 -1.40 0.30 113.55 119.34 3kit h SER 21 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kit h SER 21 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3kit h SER 21 CO 0.00 0.00 -0.33 1.41 -0.87 0.00 0.00 176.83 177.04 3kit n HIS 22 N -3.80 0.00 0.38 4.77 8.25 -1.26 -4.35 115.22 119.21 3kit n HIS 22 Ca 0.02 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.60 3kit n HIS 22 Cb 0.36 -0.04 0.51 0.00 1.12 0.00 0.00 29.99 31.93 3kit n HIS 22 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3kit n HIS 23 N -0.11 0.87 -1.45 4.41 -0.00 0.11 -4.88 115.22 114.16 3kit n HIS 23 Ca 0.11 0.34 -0.48 0.00 -0.00 0.00 0.00 57.72 57.70 3kit n HIS 23 Cb 0.43 -1.05 -0.03 0.00 -0.00 0.00 0.00 29.99 29.34 3kit n HIS 23 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3kit n ALA 24 N -1.79 -2.29 -2.36 -1.41 0.00 -1.26 -4.94 120.51 106.46 3kit n ALA 24 Ca 0.02 0.44 -0.37 0.00 0.00 0.00 0.00 53.44 53.53 3kit n ALA 24 Cb 0.23 -1.72 -0.06 0.00 0.00 0.00 0.00 19.45 17.90 3kit n ALA 24 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3kit s LEU 25 N 2.21 4.44 -0.25 0.00 0.20 -1.26 -5.07 118.68 118.96 3kit s LEU 25 Ca 0.65 1.12 -0.12 0.00 0.69 0.00 0.00 54.13 56.47 3kit s LEU 25 Cb -0.90 -2.97 -0.05 0.00 -0.43 0.00 0.00 46.19 41.84 3kit s LEU 25 CO 0.57 0.22 0.21 0.28 -0.29 0.00 0.00 176.35 177.33 3kit s THR 26 N -1.24 5.32 0.49 3.68 -1.32 -1.26 -5.07 115.64 116.23 3kit s THR 26 Ca 0.31 0.26 -0.22 0.00 -1.21 0.00 0.00 61.69 60.84 3kit s THR 26 Cb -0.17 -3.55 -0.09 0.00 -1.51 0.00 0.00 72.50 67.19 3kit s THR 26 CO 0.18 0.30 0.93 -2.65 -2.21 0.00 0.00 174.62 171.17 3kit n PRO 27 N 4.54 1.11 -2.23 7.08 -0.02 -1.26 -4.93 135.00 139.29 3kit n PRO 27 Ca -0.14 0.41 -0.41 0.00 -2.02 0.00 0.00 63.50 61.34 3kit n PRO 27 Cb 0.52 -2.02 -0.03 0.00 -0.02 0.00 0.00 33.50 31.94 3kit n PRO 27 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3kit s PRO 28 N -2.22 4.40 -0.13 0.52 0.04 -1.26 -4.97 135.00 131.39 3kit s PRO 28 Ca 0.67 2.04 -0.29 0.00 0.04 0.00 0.00 61.00 63.46 3kit s PRO 28 Cb -0.50 -3.19 -0.01 0.00 0.04 0.00 0.00 34.50 30.84 3kit s PRO 28 CO 0.54 -0.22 1.05 0.95 0.04 0.00 0.00 177.00 179.36 3kit s THR 29 N -0.03 4.67 0.12 1.26 -4.23 -1.26 -5.03 115.64 111.14 3kit s THR 29 Ca 0.55 1.96 0.06 0.00 -1.18 0.00 0.00 61.69 63.08 3kit s THR 29 Cb -0.36 -4.26 -0.04 0.00 1.34 0.00 0.00 72.50 69.18 3kit s THR 29 CO 0.39 -0.04 -0.13 -0.76 -0.54 0.00 0.00 174.62 173.54 3kit s LEU 30 N 2.35 2.40 0.05 4.79 1.43 -1.26 -4.23 118.68 124.21 3kit s LEU 30 Ca 0.49 -0.80 0.02 0.00 -1.03 0.00 0.00 54.13 52.80 3kit s LEU 30 Cb -0.19 -0.51 -0.03 0.00 0.03 0.00 0.00 46.19 45.50 3kit s LEU 30 CO 0.16 -0.16 -0.07 0.68 0.23 0.00 0.00 176.35 177.19 3kit s VAL 31 N -2.15 0.49 0.26 -1.59 -7.23 -0.28 -4.90 120.40 105.00 3kit s VAL 31 Ca 0.08 -1.30 -0.29 0.00 -1.81 0.00 0.00 61.98 58.65 3kit s VAL 31 Cb -0.05 -0.87 -0.09 0.00 0.56 0.00 0.00 36.38 35.93 3kit s VAL 31 CO 0.03 -0.55 1.27 -2.84 -0.31 0.00 0.00 175.10 172.69 3kit s PRO 32 N -2.23 4.43 -0.54 4.82 0.02 -1.26 -2.16 135.00 138.07 3kit s PRO 32 Ca -0.05 2.06 -0.28 0.00 0.02 0.00 0.00 61.00 62.75 3kit s PRO 32 Cb -0.05 -3.15 0.02 0.00 0.02 0.00 0.00 34.50 31.34 3kit s PRO 32 CO -0.02 -0.14 1.33 0.00 -0.33 0.00 0.00 177.00 177.84 3kit s PRO 34 N 5.19 2.25 0.00 0.00 0.04 -1.26 -3.32 135.00 137.90 3kit s PRO 34 Ca 0.50 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.75 3kit s PRO 34 Cb -0.10 -4.53 0.00 0.00 0.04 0.00 0.00 34.50 29.91 3kit s PRO 34 CO 0.27 -3.12 0.00 0.39 0.04 0.00 0.00 177.00 174.57 3kit n GLU 35 N 9.05 0.00 0.00 4.56 -0.58 -1.26 -5.07 120.64 127.35 3kit n GLU 35 Ca 0.32 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.06 3kit n GLU 35 Cb 0.54 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.41 3kit n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kit h LYS 37 N 0.00 -0.12 -3.35 0.00 2.10 -1.96 -3.38 116.57 109.86 3kit h LYS 37 Ca 0.00 0.01 -0.37 0.00 -2.00 0.00 0.00 60.65 58.29 3kit h LYS 37 Cb 0.00 0.03 0.07 0.00 -0.90 0.00 0.00 32.23 31.43 3kit h LYS 37 CO 0.00 -0.08 -0.36 0.00 -2.00 0.00 0.00 179.45 177.01 3kit n ALA 38 N -2.41 -2.11 -2.79 0.07 0.00 -1.26 -4.30 120.51 107.71 3kit n ALA 38 Ca -0.04 0.20 -0.24 0.00 0.00 0.00 0.00 53.44 53.36 3kit n ALA 38 Cb 0.16 -0.88 -0.05 0.00 0.00 0.00 0.00 19.45 18.68 3kit n ALA 38 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3kit s MET 39 N -0.56 2.84 0.15 0.00 -1.94 -1.26 -2.09 119.30 116.44 3kit s MET 39 Ca 0.35 -1.02 -0.15 0.00 -1.71 0.00 0.00 55.69 53.16 3kit s MET 39 Cb -0.48 -2.55 0.02 0.00 2.01 0.00 0.00 34.83 33.84 3kit s MET 39 CO 0.32 0.43 0.42 -1.59 -0.01 0.00 0.00 175.02 174.59 3kit s LYS 40 N -3.52 1.18 0.57 2.03 -2.85 -0.92 -4.89 119.74 111.35 3kit s LYS 40 Ca 0.32 -0.85 -0.18 0.00 -1.00 0.00 0.00 55.97 54.26 3kit s LYS 40 Cb -0.09 0.47 -0.04 0.00 -2.06 0.00 0.00 37.83 36.11 3kit s LYS 40 CO 0.24 -0.47 1.12 -1.25 0.10 0.00 0.00 175.35 175.08 3kit s PRO 41 N -3.86 3.22 0.99 1.78 0.04 -1.26 -1.13 135.00 134.79 3kit s PRO 41 Ca 0.07 1.52 -0.11 0.00 0.04 0.00 0.00 61.00 62.52 3kit s PRO 41 Cb 0.01 -2.00 0.19 0.00 0.04 0.00 0.00 34.50 32.74 3kit s PRO 41 CO -0.07 -0.94 1.10 -1.25 0.04 0.00 0.00 177.00 175.89 3kit s PRO 42 N -3.54 0.46 -1.28 0.56 0.04 -1.26 -3.29 135.00 126.69 3kit s PRO 42 Ca 0.70 1.28 0.00 0.00 0.04 0.00 0.00 61.00 63.03 3kit s PRO 42 Cb -0.22 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.64 3kit s PRO 42 CO 0.31 -2.93 0.00 0.72 0.04 0.00 0.00 177.00 175.14 3kit n HIS 43 N -4.41 0.00 -4.46 0.56 8.25 -1.26 -4.97 115.22 108.93 3kit n HIS 43 Ca 0.09 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.30 3kit n HIS 43 Cb 0.53 -2.83 -0.13 0.00 1.12 0.00 0.00 29.99 28.68 3kit n HIS 43 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3kit s THR 44 N -2.04 1.70 -0.54 1.59 -4.23 -1.21 -5.10 115.64 105.81 3kit s THR 44 Ca 0.00 -1.38 -0.21 0.00 -1.18 0.00 0.00 61.69 58.92 3kit s THR 44 Cb 0.00 -1.51 0.06 0.00 1.34 0.00 0.00 72.50 72.38 3kit s THR 44 CO 0.00 0.07 0.76 -0.69 -0.54 0.00 0.00 174.62 174.22 3kit s VAL 45 N -0.99 4.67 -0.20 2.29 1.01 -1.26 -4.90 120.40 121.01 3kit s VAL 45 Ca 0.07 -0.26 -0.11 0.00 0.00 0.00 0.00 61.98 61.69 3kit s VAL 45 Cb -0.09 -4.42 -0.05 0.00 0.00 0.00 0.00 36.38 31.82 3kit s VAL 45 CO 0.03 -0.98 0.16 0.00 0.00 0.00 0.00 175.10 174.31 3kit h PRO 47 N 6.85 0.00 -2.76 0.00 0.13 -1.94 -2.91 132.00 131.38 3kit h PRO 47 Ca -0.40 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.18 3kit h PRO 47 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3kit h PRO 47 CO 0.74 0.00 2.77 0.39 -0.23 0.00 0.00 178.00 181.67 3kit n GLU 48 N -3.06 3.25 0.00 0.86 1.02 -1.26 -3.42 120.64 118.03 3kit n GLU 48 Ca 0.14 -1.88 0.00 0.00 -0.02 0.00 0.00 57.16 55.39 3kit n GLU 48 Cb 1.23 -2.59 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 3kit n GLU 48 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kit n GLY 50 N 0.00 0.82 0.00 0.00 0.00 -1.10 -4.83 105.19 100.07 3kit n GLY 50 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.29 3kit n GLY 50 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3kit n TYR 51 N 0.00 0.00 -2.31 1.61 9.36 -1.26 -4.21 117.16 120.35 3kit n TYR 51 Ca 0.00 0.00 -0.27 0.00 3.32 0.00 0.00 57.90 60.95 3kit n TYR 51 Cb 0.00 0.00 0.01 0.00 -0.63 0.00 0.00 39.34 38.72 3kit n TYR 51 CO 0.00 0.00 0.00 0.98 0.22 0.00 0.00 176.86 178.06 3kit n TYR 52 N 0.00 3.22 0.00 2.98 4.19 -1.26 -4.98 117.16 121.31 3kit n TYR 52 Ca 0.00 -2.85 0.00 0.00 3.31 0.00 0.00 57.90 58.36 3kit n TYR 52 Cb 0.00 -0.24 0.00 0.00 0.49 0.00 0.00 39.34 39.59 3kit n TYR 52 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 3kit n ALA 53 N -0.55 0.00 -3.49 2.98 0.00 -1.26 -5.13 120.51 113.05 3kit n ALA 53 Ca 0.42 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.50 3kit n ALA 53 Cb 0.72 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 20.03 3kit n ALA 53 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3kit s GLY 54 N 0.00 1.75 0.02 0.00 0.00 -1.26 -4.85 107.32 102.98 3kit s GLY 54 Ca 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 44.72 43.09 3kit s GLY 54 CO 0.00 0.66 0.00 0.54 0.00 0.00 0.00 173.10 174.30 3kit n ARG 55 N 4.72 0.00 -0.87 2.90 3.00 -1.26 -4.96 116.66 120.18 3kit n ARG 55 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.70 3kit n ARG 55 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.91 3kit n ARG 55 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26