#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kir n LYS 3 N 0.00 0.60 0.00 0.00 2.85 -1.26 -5.11 118.16 115.24 3kir n LYS 3 Ca 0.00 -2.71 0.00 0.00 -1.05 0.00 0.00 58.31 54.55 3kir n LYS 3 Cb 0.00 1.58 0.00 0.00 -0.65 0.00 0.00 35.03 35.96 3kir n LYS 3 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 177.40 178.93 3kir n HIS 4 N -0.69 0.00 -2.04 5.58 -0.00 -1.26 -4.68 115.22 112.13 3kir n HIS 4 Ca -0.03 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.29 3kir n HIS 4 Cb 0.48 0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 30.47 3kir n HIS 4 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.34 174.20 3kir s PRO 5 N -0.33 3.99 -0.02 1.57 0.02 -1.26 -5.01 135.00 133.96 3kir s PRO 5 Ca 0.00 2.18 -0.05 0.00 0.02 0.00 0.00 61.00 63.16 3kir s PRO 5 Cb 0.00 -2.78 0.00 0.00 0.02 0.00 0.00 34.50 31.74 3kir s PRO 5 CO 0.00 -0.49 0.10 0.08 -0.33 0.00 0.00 177.00 176.37 3kir s VAL 6 N -1.25 0.04 0.16 3.83 1.01 -1.26 -5.06 120.40 117.88 3kir s VAL 6 Ca 0.56 -0.37 -0.32 0.00 0.00 0.00 0.00 61.98 61.86 3kir s VAL 6 Cb -0.39 -0.27 -0.10 0.00 0.00 0.00 0.00 36.38 35.62 3kir s VAL 6 CO 0.50 -0.20 1.61 -2.16 0.00 0.00 0.00 175.10 174.85 3kir s PRO 7 N -0.65 4.20 0.37 2.72 0.04 -1.26 -4.90 135.00 135.52 3kir s PRO 7 Ca -0.07 2.41 0.19 0.00 0.04 0.00 0.00 61.00 63.57 3kir s PRO 7 Cb -0.04 -3.19 0.55 0.00 0.04 0.00 0.00 34.50 31.87 3kir s PRO 7 CO 0.00 -0.65 1.67 -0.22 0.04 0.00 0.00 177.00 177.85 3kir h LYS 8 N 6.96 0.00 -3.10 4.56 1.63 -2.03 -3.46 116.57 121.14 3kir h LYS 8 Ca -0.43 0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 59.23 3kir h LYS 8 Cb 1.20 0.00 -0.23 0.00 -0.60 0.00 0.00 32.23 32.60 3kir h LYS 8 CO 0.92 0.36 -0.37 0.15 -3.45 0.00 0.00 179.45 177.06 3kir s LYS 9 N -3.40 0.44 0.33 1.90 -0.14 -1.26 -5.13 119.74 112.47 3kir s LYS 9 Ca 0.02 0.15 -0.29 0.00 -1.36 0.00 0.00 55.97 54.48 3kir s LYS 9 Cb 0.09 0.20 -0.12 0.00 -1.68 0.00 0.00 37.83 36.33 3kir s LYS 9 CO 0.69 -0.09 1.50 1.17 -0.76 0.00 0.00 175.35 177.87 3kir n LYS 10 N 2.32 2.58 -2.41 1.68 4.81 -1.26 -4.91 118.16 120.97 3kir n LYS 10 Ca -0.16 0.91 -0.42 0.00 -0.87 0.00 0.00 58.31 57.77 3kir n LYS 10 Cb 0.57 -2.64 -0.03 0.00 0.02 0.00 0.00 35.03 32.95 3kir n LYS 10 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 3kir s THR 11 N -0.59 4.10 0.66 3.15 2.01 -1.26 -4.99 115.64 118.72 3kir s THR 11 Ca 0.59 1.47 -0.18 0.00 0.31 0.00 0.00 61.69 63.88 3kir s THR 11 Cb -0.51 -3.94 -0.00 0.00 0.01 0.00 0.00 72.50 68.06 3kir s THR 11 CO 0.56 0.04 1.28 -0.94 -0.69 0.00 0.00 174.62 174.87 3kir s SER 12 N 1.39 4.55 0.34 3.53 1.04 -1.26 -4.72 113.70 118.57 3kir s SER 12 Ca 0.58 2.57 0.05 0.00 0.48 0.00 0.00 55.95 59.63 3kir s SER 12 Cb -0.27 -2.61 0.70 0.00 0.10 0.00 0.00 66.02 63.93 3kir s SER 12 CO 0.25 -2.04 1.90 0.11 0.98 0.00 0.00 173.24 174.45 3kir h LYS 13 N 0.42 0.80 -0.23 4.02 1.57 -1.98 0.17 116.57 121.34 3kir h LYS 13 Ca -0.50 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.23 3kir h LYS 13 Cb 1.33 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 3kir h LYS 13 CO 0.53 0.53 0.13 0.00 -0.57 0.00 0.00 179.45 180.07 3kir h ALA 14 N 1.57 0.29 0.00 3.86 0.00 -1.99 0.36 119.26 123.36 3kir h ALA 14 Ca 0.40 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.13 3kir h ALA 14 Cb 0.43 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3kir h ALA 14 CO -0.17 -0.20 -0.64 -0.09 0.00 0.00 0.00 179.25 178.16 3kir h ARG 15 N 0.28 0.00 0.19 0.00 2.43 -1.62 0.23 114.38 115.89 3kir h ARG 15 Ca 0.08 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 3kir h ARG 15 Cb 0.03 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 3kir h ARG 15 CO -0.01 0.64 -0.09 -0.09 -1.51 0.00 0.00 179.97 178.90 3kir h ARG 16 N 0.00 -0.25 -0.53 0.20 2.43 -0.51 -2.59 114.38 113.12 3kir h ARG 16 Ca -0.01 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 3kir h ARG 16 Cb 1.19 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.78 3kir h ARG 16 CO 0.08 0.09 0.13 -0.44 -1.51 0.00 0.00 179.97 178.32 3kir h ASP 17 N -0.62 0.76 0.09 -3.80 3.32 -0.89 -2.16 116.42 113.11 3kir h ASP 17 Ca -0.03 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 56.87 3kir h ASP 17 Cb 0.45 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 3kir h ASP 17 CO 0.04 0.74 -0.10 0.00 -1.72 0.00 0.00 179.24 178.21 3kir h ALA 18 N 1.36 1.82 0.00 3.45 0.00 -0.93 -1.32 119.26 123.63 3kir h ALA 18 Ca 0.17 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 3kir h ALA 18 Cb 0.28 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3kir h ALA 18 CO -0.00 0.14 -0.47 -0.09 0.00 0.00 0.00 179.25 178.82 3kir h ARG 19 N 0.02 0.00 -0.27 0.00 2.43 -0.98 -2.78 114.38 112.80 3kir h ARG 19 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3kir h ARG 19 Cb 0.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 3kir h ARG 19 CO 0.01 0.47 0.00 0.54 -1.51 0.00 0.00 179.97 179.48 3kir n ARG 20 N -3.93 1.68 0.20 0.20 1.74 -0.51 -4.11 116.66 111.94 3kir n ARG 20 Ca -0.01 -1.05 0.17 0.00 -0.77 0.00 0.00 57.85 56.18 3kir n ARG 20 Cb 0.50 -1.26 0.83 0.00 -1.02 0.00 0.00 32.46 31.50 3kir n ARG 20 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3kir h SER 21 N 1.78 0.00 0.03 0.55 4.64 -1.43 0.27 113.55 119.39 3kir h SER 21 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kir h SER 21 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 3kir h SER 21 CO 0.00 0.00 -0.26 1.41 -0.87 0.00 0.00 176.83 177.11 3kir n HIS 22 N -3.81 0.00 0.39 4.77 8.25 -1.26 -4.32 115.22 119.25 3kir n HIS 22 Ca 0.02 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.60 3kir n HIS 22 Cb 0.33 -0.02 0.52 0.00 1.12 0.00 0.00 29.99 31.93 3kir n HIS 22 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3kir h HIS 23 N 2.82 0.00 -1.18 4.41 -0.00 -0.71 -3.46 115.15 117.02 3kir h HIS 23 Ca 0.00 0.00 -0.68 0.00 -0.00 0.00 0.00 60.37 59.69 3kir h HIS 23 Cb 0.75 0.00 0.10 0.00 -0.00 0.00 0.00 27.41 28.26 3kir h HIS 23 CO 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 177.93 177.56 3kir n ALA 24 N -1.82 -2.63 -2.33 2.45 0.00 -1.26 -4.93 120.51 110.00 3kir n ALA 24 Ca 0.02 0.45 -0.37 0.00 0.00 0.00 0.00 53.44 53.54 3kir n ALA 24 Cb 0.24 -1.68 -0.06 0.00 0.00 0.00 0.00 19.45 17.95 3kir n ALA 24 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3kir s LEU 25 N 2.32 4.44 -0.24 0.00 0.20 -1.26 -5.07 118.68 119.08 3kir s LEU 25 Ca 0.67 1.16 -0.12 0.00 0.69 0.00 0.00 54.13 56.54 3kir s LEU 25 Cb -0.94 -3.03 -0.05 0.00 -0.43 0.00 0.00 46.19 41.74 3kir s LEU 25 CO 0.56 0.21 0.21 0.28 -0.29 0.00 0.00 176.35 177.32 3kir s THR 26 N -1.26 5.32 0.50 3.68 -1.32 -1.26 -5.07 115.64 116.23 3kir s THR 26 Ca 0.32 0.28 -0.22 0.00 -1.21 0.00 0.00 61.69 60.86 3kir s THR 26 Cb -0.17 -3.55 -0.08 0.00 -1.51 0.00 0.00 72.50 67.18 3kir s THR 26 CO 0.19 0.31 0.93 -2.65 -2.21 0.00 0.00 174.62 171.18 3kir n PRO 27 N 4.48 1.10 -2.25 7.08 -0.02 -1.26 -4.93 135.00 139.20 3kir n PRO 27 Ca -0.14 0.40 -0.41 0.00 -2.02 0.00 0.00 63.50 61.34 3kir n PRO 27 Cb 0.52 -2.03 -0.03 0.00 -0.02 0.00 0.00 33.50 31.93 3kir n PRO 27 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3kir s PRO 28 N -2.25 4.41 -0.10 0.52 0.04 -1.26 -4.97 135.00 131.39 3kir s PRO 28 Ca 0.68 2.01 -0.30 0.00 0.04 0.00 0.00 61.00 63.43 3kir s PRO 28 Cb -0.50 -3.21 -0.02 0.00 0.04 0.00 0.00 34.50 30.81 3kir s PRO 28 CO 0.53 -0.23 1.08 0.95 0.04 0.00 0.00 177.00 179.38 3kir s THR 29 N 0.15 4.58 0.11 1.26 -4.23 -1.26 -5.03 115.64 111.23 3kir s THR 29 Ca 0.56 1.87 0.05 0.00 -1.18 0.00 0.00 61.69 62.99 3kir s THR 29 Cb -0.35 -4.20 -0.04 0.00 1.34 0.00 0.00 72.50 69.25 3kir s THR 29 CO 0.37 -0.01 -0.13 -0.76 -0.54 0.00 0.00 174.62 173.56 3kir s LEU 30 N 2.19 2.40 0.05 4.79 1.43 -1.26 -4.25 118.68 124.02 3kir s LEU 30 Ca 0.51 -0.80 0.01 0.00 -1.03 0.00 0.00 54.13 52.82 3kir s LEU 30 Cb -0.20 -0.46 -0.03 0.00 0.03 0.00 0.00 46.19 45.53 3kir s LEU 30 CO 0.19 -0.18 -0.06 0.68 0.23 0.00 0.00 176.35 177.20 3kir s VAL 31 N -2.21 0.44 0.27 -1.59 -7.23 -0.33 -4.90 120.40 104.85 3kir s VAL 31 Ca 0.07 -1.26 -0.29 0.00 -1.81 0.00 0.00 61.98 58.69 3kir s VAL 31 Cb -0.04 -0.80 -0.10 0.00 0.56 0.00 0.00 36.38 36.00 3kir s VAL 31 CO 0.02 -0.55 1.29 -2.84 -0.31 0.00 0.00 175.10 172.71 3kir s PRO 32 N -2.16 4.39 -0.55 4.82 0.02 -1.26 -2.09 135.00 138.17 3kir s PRO 32 Ca -0.06 2.12 -0.28 0.00 0.02 0.00 0.00 61.00 62.80 3kir s PRO 32 Cb -0.06 -3.13 0.02 0.00 0.02 0.00 0.00 34.50 31.36 3kir s PRO 32 CO -0.02 -0.18 1.28 0.00 -0.33 0.00 0.00 177.00 177.75 3kir s PRO 34 N 5.10 2.27 0.00 0.00 0.04 -1.26 -3.34 135.00 137.80 3kir s PRO 34 Ca 0.48 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.76 3kir s PRO 34 Cb -0.09 -4.53 0.00 0.00 0.04 0.00 0.00 34.50 29.92 3kir s PRO 34 CO 0.26 -3.10 0.00 0.39 0.04 0.00 0.00 177.00 174.59 3kir n GLU 35 N 9.04 0.00 0.00 4.56 -0.58 -1.26 -5.06 120.64 127.33 3kir n GLU 35 Ca 0.33 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.07 3kir n GLU 35 Cb 0.54 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.41 3kir n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kir h LYS 37 N 0.00 -0.05 -3.56 0.00 2.10 -1.96 -3.38 116.57 109.72 3kir h LYS 37 Ca 0.00 0.00 -0.39 0.00 -2.00 0.00 0.00 60.65 58.26 3kir h LYS 37 Cb 0.00 0.01 0.07 0.00 -0.90 0.00 0.00 32.23 31.42 3kir h LYS 37 CO 0.00 -0.03 -0.39 0.00 -2.00 0.00 0.00 179.45 177.02 3kir n ALA 38 N -2.42 -2.18 -2.77 0.07 0.00 -1.26 -4.29 120.51 107.65 3kir n ALA 38 Ca -0.03 0.20 -0.24 0.00 0.00 0.00 0.00 53.44 53.37 3kir n ALA 38 Cb 0.14 -0.93 -0.06 0.00 0.00 0.00 0.00 19.45 18.61 3kir n ALA 38 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3kir s MET 39 N -0.59 2.78 0.16 0.00 -1.94 -1.26 -2.03 119.30 116.42 3kir s MET 39 Ca 0.37 -1.02 -0.15 0.00 -1.71 0.00 0.00 55.69 53.18 3kir s MET 39 Cb -0.50 -2.53 0.02 0.00 2.01 0.00 0.00 34.83 33.84 3kir s MET 39 CO 0.35 0.44 0.42 -1.59 -0.01 0.00 0.00 175.02 174.63 3kir s LYS 40 N -3.40 1.20 0.56 2.03 -2.85 -0.89 -4.89 119.74 111.49 3kir s LYS 40 Ca 0.31 -0.85 -0.19 0.00 -1.00 0.00 0.00 55.97 54.24 3kir s LYS 40 Cb -0.09 0.47 -0.05 0.00 -2.06 0.00 0.00 37.83 36.10 3kir s LYS 40 CO 0.23 -0.48 1.12 -1.25 0.10 0.00 0.00 175.35 175.07 3kir s PRO 41 N -3.86 3.30 0.97 1.78 0.04 -1.26 -1.19 135.00 134.78 3kir s PRO 41 Ca 0.08 1.54 -0.11 0.00 0.04 0.00 0.00 61.00 62.55 3kir s PRO 41 Cb 0.01 -2.00 0.18 0.00 0.04 0.00 0.00 34.50 32.72 3kir s PRO 41 CO -0.06 -0.88 1.11 -1.25 0.04 0.00 0.00 177.00 175.95 3kir s PRO 42 N -3.45 0.58 -1.63 0.56 0.04 -1.26 -3.26 135.00 126.59 3kir s PRO 42 Ca 0.71 1.32 0.00 0.00 0.04 0.00 0.00 61.00 63.07 3kir s PRO 42 Cb -0.22 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.62 3kir s PRO 42 CO 0.29 -2.85 0.00 0.72 0.04 0.00 0.00 177.00 175.20 3kir n HIS 43 N -4.36 0.00 -4.41 0.56 8.25 -1.26 -4.97 115.22 109.03 3kir n HIS 43 Ca 0.09 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.31 3kir n HIS 43 Cb 0.53 -3.09 -0.13 0.00 1.12 0.00 0.00 29.99 28.42 3kir n HIS 43 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3kir s THR 44 N -2.31 1.65 -0.53 1.59 -4.23 -1.20 -5.10 115.64 105.51 3kir s THR 44 Ca 0.00 -1.39 -0.20 0.00 -1.18 0.00 0.00 61.69 58.92 3kir s THR 44 Cb 0.00 -1.48 0.06 0.00 1.34 0.00 0.00 72.50 72.42 3kir s THR 44 CO 0.00 0.03 0.72 -0.69 -0.54 0.00 0.00 174.62 174.14 3kir s VAL 45 N -1.02 4.74 -0.20 2.29 1.01 -1.26 -4.90 120.40 121.05 3kir s VAL 45 Ca 0.06 -0.32 -0.10 0.00 0.00 0.00 0.00 61.98 61.62 3kir s VAL 45 Cb -0.09 -4.38 -0.05 0.00 0.00 0.00 0.00 36.38 31.86 3kir s VAL 45 CO 0.03 -0.92 0.14 0.00 0.00 0.00 0.00 175.10 174.35 3kir h PRO 47 N 6.68 0.00 -2.80 0.00 0.13 -1.94 -2.91 132.00 131.16 3kir h PRO 47 Ca -0.41 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.14 3kir h PRO 47 Cb 1.15 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.29 3kir h PRO 47 CO 0.76 0.00 3.03 0.39 -0.23 0.00 0.00 178.00 181.95 3kir n GLU 48 N -3.04 3.38 0.00 0.86 1.02 -1.26 -3.46 120.64 118.14 3kir n GLU 48 Ca 0.11 -1.97 0.00 0.00 -0.02 0.00 0.00 57.16 55.27 3kir n GLU 48 Cb 1.10 -2.64 0.00 0.00 -0.02 0.00 0.00 31.44 29.88 3kir n GLU 48 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kir n GLY 50 N 0.00 0.80 0.00 0.00 0.00 -1.10 -4.83 105.19 100.06 3kir n GLY 50 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 3kir n GLY 50 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3kir n TYR 51 N 0.00 0.00 -2.33 1.61 9.36 -1.26 -4.22 117.16 120.32 3kir n TYR 51 Ca 0.00 0.00 -0.27 0.00 3.32 0.00 0.00 57.90 60.95 3kir n TYR 51 Cb 0.00 0.00 0.01 0.00 -0.63 0.00 0.00 39.34 38.72 3kir n TYR 51 CO 0.00 0.00 0.00 0.98 0.22 0.00 0.00 176.86 178.06 3kir n TYR 52 N 0.00 3.23 0.00 2.98 4.19 -1.26 -4.99 117.16 121.32 3kir n TYR 52 Ca 0.00 -2.86 0.00 0.00 3.31 0.00 0.00 57.90 58.35 3kir n TYR 52 Cb 0.00 -0.20 0.00 0.00 0.49 0.00 0.00 39.34 39.63 3kir n TYR 52 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 3kir n ALA 53 N -0.55 0.00 -3.56 2.98 0.00 -1.26 -5.13 120.51 112.99 3kir n ALA 53 Ca 0.41 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.50 3kir n ALA 53 Cb 0.72 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 20.04 3kir n ALA 53 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3kir s GLY 54 N 0.00 1.73 0.00 0.00 0.00 -1.26 -4.86 107.32 102.94 3kir s GLY 54 Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 44.72 43.08 3kir s GLY 54 CO 0.00 0.65 0.00 0.54 0.00 0.00 0.00 173.10 174.29 3kir n ARG 55 N 4.69 0.00 -0.89 2.90 3.00 -1.26 -4.97 116.66 120.12 3kir n ARG 55 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.70 3kir n ARG 55 Cb 0.45 -0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.91 3kir n ARG 55 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26