#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2did s SER 2 N 0.00 2.03 -0.17 1.61 0.01 -1.26 -5.03 113.70 110.89 2did s SER 2 Ca 0.00 -0.33 -0.05 0.00 1.31 0.00 0.00 55.95 56.88 2did s SER 2 Cb 0.00 -0.63 -0.09 0.00 0.21 0.00 0.00 66.02 65.51 2did s SER 2 CO 0.00 0.13 -0.19 -0.24 0.41 0.00 0.00 173.24 173.34 2did n SER 3 N 3.26 1.87 0.00 2.44 2.88 -1.26 -5.09 113.62 117.73 2did n SER 3 Ca -0.19 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.44 2did n SER 3 Cb 0.53 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 2did n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2did n GLY 4 N 2.25 1.16 2.27 0.46 0.00 -1.26 -5.05 105.19 105.02 2did n GLY 4 Ca -0.32 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 44.85 2did n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2did n SER 5 N 0.00 6.25 -3.64 1.61 3.41 -1.26 -4.92 113.62 115.07 2did n SER 5 Ca 0.00 -3.77 -0.22 0.00 -0.26 0.00 0.00 58.87 54.61 2did n SER 5 Cb 0.00 -0.67 -0.18 0.00 -0.26 0.00 0.00 64.21 63.10 2did n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2did s SER 6 N -2.66 1.64 0.09 4.04 0.01 -1.26 -5.02 113.70 110.53 2did s SER 6 Ca 0.56 -0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.62 2did s SER 6 Cb 0.45 -0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.51 2did s SER 6 CO -0.04 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 173.93 2did n GLY 7 N 5.29 -0.52 3.20 3.44 0.00 -1.26 -5.13 105.19 110.21 2did n GLY 7 Ca -0.05 0.08 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 2did n GLY 7 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2did s GLU 8 N -1.25 1.45 0.48 1.61 2.12 -1.26 -5.11 118.70 116.74 2did s GLU 8 Ca 0.00 -0.72 -0.19 0.00 0.36 0.00 0.00 54.97 54.42 2did s GLU 8 Cb 0.00 -1.44 -0.14 0.00 0.26 0.00 0.00 34.13 32.81 2did s GLU 8 CO 0.00 0.39 0.03 0.43 -0.54 0.00 0.00 175.26 175.57 2did n SER 9 N 2.43 -3.06 -4.03 -1.70 7.64 -1.26 -4.90 113.62 108.74 2did n SER 9 Ca -0.15 0.71 -0.08 0.00 1.01 0.00 0.00 58.87 60.35 2did n SER 9 Cb 0.54 -0.91 -0.11 0.00 -1.01 0.00 0.00 64.21 62.72 2did n SER 9 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2did s LEU 10 N 4.22 2.34 0.28 -3.43 1.43 -1.26 -3.19 118.68 119.07 2did s LEU 10 Ca 0.59 -0.70 -0.30 0.00 -1.03 0.00 0.00 54.13 52.69 2did s LEU 10 Cb -0.53 0.13 -0.12 0.00 0.03 0.00 0.00 46.19 45.70 2did s LEU 10 CO 0.64 -0.41 1.63 0.00 0.23 0.00 0.00 176.35 178.44 2did n PRO 12 N 2.55 0.49 0.00 0.00 -0.04 -1.26 0.16 135.00 136.90 2did n PRO 12 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 2did n PRO 12 Cb 0.37 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 2did n PRO 12 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2did n GLN 13 N -0.85 0.50 -0.00 0.54 7.27 -1.26 -4.84 117.38 118.73 2did n GLN 13 Ca 0.08 0.00 0.05 0.00 0.07 0.00 0.00 57.00 57.21 2did n GLN 13 Cb 0.04 -0.66 -0.07 0.00 2.41 0.00 0.00 30.24 31.96 2did n GLN 13 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 2did n HIS 14 N -1.50 0.00 -3.01 3.69 8.25 -1.20 -4.99 115.22 116.46 2did n HIS 14 Ca 0.00 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.28 2did n HIS 14 Cb 0.16 -0.04 -0.01 0.00 1.12 0.00 0.00 29.99 31.23 2did n HIS 14 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2did n HIS 15 N -1.35 -1.68 -3.89 4.41 8.25 0.42 -4.77 115.22 116.62 2did n HIS 15 Ca 0.01 0.28 -0.32 0.00 -0.26 0.00 0.00 57.72 57.43 2did n HIS 15 Cb 0.19 -2.66 -0.04 0.00 1.12 0.00 0.00 29.99 28.60 2did n HIS 15 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2did s GLU 16 N -5.62 3.46 -0.47 -0.41 0.41 -1.26 -4.40 118.70 110.41 2did s GLU 16 Ca 0.24 -0.34 -0.42 0.00 -0.41 0.00 0.00 54.97 54.04 2did s GLU 16 Cb -0.13 -3.06 -0.18 0.00 -1.78 0.00 0.00 34.13 28.99 2did s GLU 16 CO 0.30 0.63 2.11 0.00 -0.49 0.00 0.00 175.26 177.81 2did n ALA 17 N 0.64 0.28 -2.37 5.21 0.00 -1.26 -2.13 120.51 120.88 2did n ALA 17 Ca -0.08 0.17 -0.43 0.00 0.00 0.00 0.00 53.44 53.10 2did n ALA 17 Cb 0.52 -2.16 -0.02 0.00 0.00 0.00 0.00 19.45 17.79 2did n ALA 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2did s LEU 18 N 6.01 4.07 0.00 0.00 1.43 -1.19 -4.47 118.68 124.53 2did s LEU 18 Ca 1.17 1.57 0.00 0.00 -1.03 0.00 0.00 54.13 55.84 2did s LEU 18 Cb -1.37 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 41.31 2did s LEU 18 CO 0.64 -0.92 0.00 -1.20 0.23 0.00 0.00 176.35 175.10 2did n SER 19 N 7.13 2.52 -4.97 2.29 7.64 -1.19 -4.96 113.62 122.09 2did n SER 19 Ca 0.15 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.81 2did n SER 19 Cb 0.45 0.13 0.03 0.00 -1.01 0.00 0.00 64.21 63.81 2did n SER 19 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2did s LEU 20 N -3.49 3.41 -0.25 -3.43 1.43 -0.99 -0.40 118.68 114.95 2did s LEU 20 Ca 0.00 0.05 -0.08 0.00 -1.03 0.00 0.00 54.13 53.07 2did s LEU 20 Cb 0.00 -2.94 0.12 0.00 0.03 0.00 0.00 46.19 43.40 2did s LEU 20 CO 0.00 -0.99 0.54 0.12 0.23 0.00 0.00 176.35 176.25 2did s PHE 21 N -2.68 -1.11 0.34 0.29 2.19 0.46 -0.74 117.98 116.74 2did s PHE 21 Ca 0.54 1.89 -0.28 0.00 0.33 0.00 0.00 56.93 59.41 2did s PHE 21 Cb -0.10 0.55 -0.10 0.00 -1.31 0.00 0.00 43.02 42.05 2did s PHE 21 CO 0.38 -0.61 1.31 0.00 1.83 0.00 0.00 175.22 178.13 2did h TYR 23 N 3.26 0.00 -0.67 0.00 3.20 -1.78 -2.17 116.97 118.81 2did h TYR 23 Ca -0.49 0.00 0.14 0.00 3.14 0.00 0.00 58.73 61.52 2did h TYR 23 Cb 1.23 0.00 -0.12 0.00 1.54 0.00 0.00 36.73 39.38 2did h TYR 23 CO 0.55 0.00 -0.04 0.93 -1.64 0.00 0.00 178.16 177.96 2did h GLU 24 N -0.66 0.08 -0.28 1.82 4.39 -1.94 -0.37 114.58 117.61 2did h GLU 24 Ca 0.00 -0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.51 2did h GLU 24 Cb 0.18 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 2did h GLU 24 CO 0.00 0.05 -0.57 -0.44 -1.16 0.00 0.00 179.01 176.89 2did h ASP 25 N 0.08 0.98 -2.49 1.42 3.32 -1.97 -3.48 116.42 114.29 2did h ASP 25 Ca 0.35 -0.54 -0.10 0.00 0.02 0.00 0.00 57.03 56.76 2did h ASP 25 Cb 0.58 -0.28 0.04 0.00 0.22 0.00 0.00 39.33 39.89 2did h ASP 25 CO -0.62 1.34 -0.19 1.67 -1.72 0.00 0.00 179.24 179.73 2did n GLN 26 N -4.01 -2.02 -3.81 3.56 -0.06 -0.15 -5.06 117.38 105.83 2did n GLN 26 Ca -0.05 0.22 -0.12 0.00 -2.00 0.00 0.00 57.00 55.05 2did n GLN 26 Cb 0.64 -3.40 -0.13 0.00 -4.06 0.00 0.00 30.24 23.29 2did n GLN 26 CO 0.00 0.00 0.00 -1.83 -0.20 0.00 0.00 177.06 175.03 2did s GLU 27 N -5.06 0.18 0.44 3.69 -1.05 -1.16 -5.01 118.70 110.73 2did s GLU 27 Ca 0.11 0.23 -0.26 0.00 -0.15 0.00 0.00 54.97 54.90 2did s GLU 27 Cb -0.05 0.07 -0.09 0.00 -0.44 0.00 0.00 34.13 33.62 2did s GLU 27 CO 0.19 -0.03 1.44 0.00 0.95 0.00 0.00 175.26 177.81 2did n ALA 28 N 3.07 2.06 -2.22 -0.84 0.00 -1.26 -2.05 120.51 119.27 2did n ALA 28 Ca -0.13 0.27 -0.13 0.00 0.00 0.00 0.00 53.44 53.44 2did n ALA 28 Cb 0.59 -2.39 -0.10 0.00 0.00 0.00 0.00 19.45 17.54 2did n ALA 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2did s VAL 29 N -1.18 0.13 0.42 0.00 -7.23 0.08 -4.84 120.40 107.78 2did s VAL 29 Ca 0.60 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.85 2did s VAL 29 Cb -0.46 -2.50 -0.02 0.00 0.56 0.00 0.00 36.38 33.96 2did s VAL 29 CO 0.59 -0.03 0.35 0.00 -0.31 0.00 0.00 175.10 175.70 2did h LEU 31 N 1.08 -0.78 -0.71 0.00 -0.00 -1.92 -2.12 115.31 110.86 2did h LEU 31 Ca -0.41 0.10 0.11 0.00 -0.00 0.00 0.00 57.88 57.67 2did h LEU 31 Cb 1.27 0.31 -0.12 0.00 -0.00 0.00 0.00 40.66 42.12 2did h LEU 31 CO 0.60 -0.18 -0.41 0.40 -0.00 0.00 0.00 178.44 178.85 2did h ILE 32 N -0.19 0.08 -0.98 1.22 5.03 -1.97 0.12 117.51 120.82 2did h ILE 32 Ca 0.03 0.00 0.23 0.00 -0.12 0.00 0.00 64.86 64.99 2did h ILE 32 Cb 0.26 0.08 -0.18 0.00 -3.03 0.00 0.00 36.82 33.95 2did h ILE 32 CO -0.23 0.00 -0.13 0.00 -0.68 0.00 0.00 178.15 177.11 2did h ALA 34 N 1.98 0.94 -0.94 0.00 0.00 -0.32 -2.78 119.26 118.14 2did h ALA 34 Ca 0.53 -0.15 -0.67 0.00 0.00 0.00 0.00 54.91 54.62 2did h ALA 34 Cb 0.94 -0.29 -0.27 0.00 0.00 0.00 0.00 17.79 18.17 2did h ALA 34 CO -0.97 0.51 0.87 0.44 0.00 0.00 0.00 179.25 180.10 2did n ILE 35 N -4.41 3.55 -2.31 0.00 -5.35 0.29 -2.67 119.36 108.46 2did n ILE 35 Ca 0.06 -3.13 -0.07 0.00 -0.27 0.00 0.00 62.75 59.34 2did n ILE 35 Cb 0.14 -1.20 0.06 0.00 -1.74 0.00 0.00 39.64 36.89 2did n ILE 35 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 2did n SER 36 N -0.68 2.74 -2.21 7.28 2.88 -0.18 -4.92 113.62 118.53 2did n SER 36 Ca 0.58 -2.92 -0.02 0.00 -1.33 0.00 0.00 58.87 55.17 2did n SER 36 Cb 0.56 -0.41 -0.00 0.00 -0.75 0.00 0.00 64.21 63.60 2did n SER 36 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2did n HIS 37 N -0.56 -1.69 -0.03 0.66 -0.00 -1.26 -4.70 115.22 107.64 2did n HIS 37 Ca 0.22 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.36 2did n HIS 37 Cb 0.89 -1.32 -0.01 0.00 -0.12 0.00 0.00 29.99 29.43 2did n HIS 37 CO 0.00 0.00 0.00 2.41 0.46 0.00 0.00 176.34 179.21 2did n THR 38 N -2.37 1.21 0.30 3.57 -1.04 -1.26 -4.81 114.28 109.88 2did n THR 38 Ca -0.03 0.26 0.09 0.00 -2.04 0.00 0.00 64.05 62.34 2did n THR 38 Cb 0.43 -1.92 -0.13 0.00 -1.82 0.00 0.00 70.33 66.89 2did n THR 38 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 2did n HIS 39 N -3.84 0.00 -0.33 -1.42 8.25 -1.24 -4.55 115.22 112.09 2did n HIS 39 Ca -0.07 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.43 2did n HIS 39 Cb 0.26 -0.28 0.10 0.00 1.12 0.00 0.00 29.99 31.19 2did n HIS 39 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 2did n ARG 40 N -1.89 -0.12 -0.27 -0.41 3.00 -1.09 0.14 116.66 116.02 2did n ARG 40 Ca -0.01 1.40 -0.04 0.00 -0.00 0.00 0.00 57.85 59.20 2did n ARG 40 Cb 0.42 -2.09 0.07 0.00 0.00 0.00 0.00 32.46 30.86 2did n ARG 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2did h ALA 41 N 1.65 0.95 -1.97 5.13 0.00 -1.88 -3.44 119.26 119.70 2did h ALA 41 Ca 0.40 -0.04 -0.40 0.00 0.00 0.00 0.00 54.91 54.87 2did h ALA 41 Cb 0.63 -0.27 0.21 0.00 0.00 0.00 0.00 17.79 18.35 2did h ALA 41 CO -0.92 0.31 -0.00 -1.01 0.00 0.00 0.00 179.25 177.62 2did s HIS 42 N -6.13 -0.20 -1.04 0.00 3.76 0.37 -4.94 115.29 107.11 2did s HIS 42 Ca -0.13 0.51 -0.11 0.00 -0.15 0.00 0.00 55.06 55.18 2did s HIS 42 Cb 0.15 -3.17 0.24 0.00 1.11 0.00 0.00 32.58 30.92 2did s HIS 42 CO 0.78 -4.53 1.07 0.99 -0.85 0.00 0.00 174.74 172.20 2did s THR 43 N -2.62 5.72 0.05 1.30 2.01 -1.26 -5.00 115.64 115.84 2did s THR 43 Ca 0.70 -2.99 -0.31 0.00 0.31 0.00 0.00 61.69 59.40 2did s THR 43 Cb -0.11 -4.62 -0.06 0.00 0.01 0.00 0.00 72.50 67.72 2did s THR 43 CO 0.57 -1.22 1.30 -0.69 -0.69 0.00 0.00 174.62 173.89 2did s VAL 44 N -0.34 3.79 0.02 3.82 1.01 -1.26 -2.23 120.40 125.21 2did s VAL 44 Ca 0.29 1.24 0.07 0.00 0.00 0.00 0.00 61.98 63.59 2did s VAL 44 Cb -0.09 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 2did s VAL 44 CO -0.07 0.06 -0.21 0.68 0.00 0.00 0.00 175.10 175.56 2did s VAL 45 N 1.56 2.54 -0.03 2.92 -7.23 0.64 -4.90 120.40 115.90 2did s VAL 45 Ca 0.61 -1.16 -0.30 0.00 -1.81 0.00 0.00 61.98 59.33 2did s VAL 45 Cb -0.31 -2.01 -0.05 0.00 0.56 0.00 0.00 36.38 34.56 2did s VAL 45 CO 0.28 0.42 1.48 -2.16 -0.31 0.00 0.00 175.10 174.81 2did s PRO 46 N -1.15 4.24 -0.03 4.82 0.04 -1.26 -0.40 135.00 141.26 2did s PRO 46 Ca 0.13 2.02 -0.24 0.00 0.04 0.00 0.00 61.00 62.95 2did s PRO 46 Cb -0.10 -3.72 -0.18 0.00 0.04 0.00 0.00 34.50 30.54 2did s PRO 46 CO 0.03 -0.68 1.11 -0.07 0.04 0.00 0.00 177.00 177.42 2did h LEU 47 N 9.09 -0.15 -7.92 -3.56 3.38 -1.00 -3.38 115.31 111.77 2did h LEU 47 Ca -0.37 -0.38 -0.68 0.00 0.09 0.00 0.00 57.88 56.54 2did h LEU 47 Cb 1.17 0.04 -0.14 0.00 0.09 0.00 0.00 40.66 41.82 2did h LEU 47 CO 0.93 0.35 1.44 -0.94 0.09 0.00 0.00 178.44 180.31 2did s SER 48 N -5.48 6.75 -0.26 -0.43 1.04 -1.25 -4.90 113.70 109.17 2did s SER 48 Ca -0.14 -2.21 -0.27 0.00 0.48 0.00 0.00 55.95 53.80 2did s SER 48 Cb 0.01 -2.48 0.16 0.00 0.10 0.00 0.00 66.02 63.80 2did s SER 48 CO 0.57 -1.12 1.20 -0.83 0.98 0.00 0.00 173.24 174.04 2did s GLY 49 N 3.92 0.02 1.25 7.32 0.00 -1.26 -5.14 107.32 113.43 2did s GLY 49 Ca 0.43 2.83 -0.21 0.00 0.00 0.00 0.00 44.72 47.77 2did s GLY 49 CO -0.03 1.58 1.11 2.56 0.00 0.00 0.00 173.10 178.32 2did s PRO 50 N -0.32 -1.61 -0.56 2.90 0.04 -1.26 -4.79 135.00 129.40 2did s PRO 50 Ca 0.04 -0.21 -0.41 0.00 0.04 0.00 0.00 61.00 60.47 2did s PRO 50 Cb -0.03 -1.56 -0.19 0.00 0.04 0.00 0.00 34.50 32.76 2did s PRO 50 CO -0.08 -3.94 2.23 0.43 0.04 0.00 0.00 177.00 175.69 2did n SER 51 N -4.89 0.81 -4.62 6.66 7.64 -1.26 -4.85 113.62 113.11 2did n SER 51 Ca 0.15 0.57 -0.41 0.00 1.01 0.00 0.00 58.87 60.19 2did n SER 51 Cb 0.60 -0.94 -0.05 0.00 -1.01 0.00 0.00 64.21 62.81 2did n SER 51 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2did s SER 52 N 6.62 6.65 0.00 6.43 1.04 -1.26 -5.29 113.70 127.90 2did s SER 52 Ca 1.21 0.72 0.00 0.00 0.48 0.00 0.00 55.95 58.36 2did s SER 52 Cb -1.40 -2.38 0.00 0.00 0.10 0.00 0.00 66.02 62.34 2did s SER 52 CO 0.62 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.94