#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2em3 n SER 2 N 0.00 -1.73 -3.91 1.61 7.64 -1.26 -5.02 113.62 110.95 2em3 n SER 2 Ca 0.00 -0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.60 2em3 n SER 2 Cb 0.00 -1.18 -0.17 0.00 -1.01 0.00 0.00 64.21 61.85 2em3 n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2em3 s SER 3 N -2.19 2.52 0.00 6.43 0.15 -1.26 -5.11 113.70 114.23 2em3 s SER 3 Ca 0.63 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.80 2em3 s SER 3 Cb -0.20 -0.90 0.00 0.00 -1.71 0.00 0.00 66.02 63.21 2em3 s SER 3 CO 0.65 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.56 2em3 n GLY 4 N 4.90 3.38 2.38 9.45 0.00 -1.26 -4.94 105.19 119.09 2em3 n GLY 4 Ca -0.13 -1.29 -0.10 0.00 0.00 0.00 0.00 46.02 44.50 2em3 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2em3 n SER 5 N 0.00 -3.50 -0.40 1.61 2.88 -1.26 -4.93 113.62 108.01 2em3 n SER 5 Ca 0.00 -0.26 -0.09 0.00 -1.33 0.00 0.00 58.87 57.19 2em3 n SER 5 Cb 0.00 -2.61 -0.07 0.00 -0.75 0.00 0.00 64.21 60.78 2em3 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2em3 n SER 6 N -0.96 -0.96 -4.83 -3.46 7.64 -1.26 -4.58 113.62 105.20 2em3 n SER 6 Ca -0.03 1.73 -0.22 0.00 1.01 0.00 0.00 58.87 61.36 2em3 n SER 6 Cb 0.54 -0.26 -0.04 0.00 -1.01 0.00 0.00 64.21 63.44 2em3 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2em3 s GLY 7 N -2.70 2.18 0.08 0.23 0.00 -1.26 -5.15 107.32 100.70 2em3 s GLY 7 Ca -0.12 -1.94 -0.07 0.00 0.00 0.00 0.00 44.72 42.59 2em3 s GLY 7 CO 0.62 -1.76 0.14 -0.51 0.00 0.00 0.00 173.10 171.60 2em3 s THR 8 N -2.50 0.16 0.00 0.90 -4.23 -1.26 -5.12 115.64 103.58 2em3 s THR 8 Ca 0.46 -1.29 0.00 0.00 -1.18 0.00 0.00 61.69 59.68 2em3 s THR 8 Cb -0.01 -1.34 0.00 0.00 1.34 0.00 0.00 72.50 72.49 2em3 s THR 8 CO 0.26 -0.71 0.00 0.61 -0.54 0.00 0.00 174.62 174.24 2em3 n GLY 9 N 0.04 0.04 2.67 3.99 0.00 -1.26 -4.51 105.19 106.16 2em3 n GLY 9 Ca -0.15 -0.67 -0.28 0.00 0.00 0.00 0.00 46.02 44.91 2em3 n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2em3 s GLU 10 N 0.00 1.64 -0.75 1.61 0.41 -1.26 -5.04 118.70 115.32 2em3 s GLU 10 Ca 0.00 -2.61 -0.06 0.00 -0.41 0.00 0.00 54.97 51.88 2em3 s GLU 10 Cb 0.00 -2.45 0.19 0.00 -1.78 0.00 0.00 34.13 30.09 2em3 s GLU 10 CO 0.00 -1.30 0.62 0.15 -0.49 0.00 0.00 175.26 174.24 2em3 s LYS 11 N -0.52 3.06 0.00 1.61 3.01 -1.26 -4.89 119.74 120.74 2em3 s LYS 11 Ca 0.26 -2.64 0.15 0.00 -1.01 0.00 0.00 55.97 52.73 2em3 s LYS 11 Cb -0.05 -4.01 0.78 0.00 -1.01 0.00 0.00 37.83 33.53 2em3 s LYS 11 CO -0.14 -1.23 1.39 -0.35 0.51 0.00 0.00 175.35 175.53 2em3 n PRO 12 N 3.44 0.27 -3.04 -1.68 -0.04 -1.26 -4.34 135.00 128.35 2em3 n PRO 12 Ca 0.12 0.12 -0.44 0.00 -0.04 0.00 0.00 63.50 63.25 2em3 n PRO 12 Cb 0.41 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.36 2em3 n PRO 12 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2em3 s TYR 13 N -2.45 3.55 -0.18 0.54 2.02 -1.26 -4.99 117.35 114.58 2em3 s TYR 13 Ca 0.16 -2.01 -0.03 0.00 -0.37 0.00 0.00 57.07 54.81 2em3 s TYR 13 Cb 0.10 -4.18 -0.02 0.00 -0.40 0.00 0.00 41.96 37.46 2em3 s TYR 13 CO 0.22 -1.31 -0.05 -2.00 -1.57 0.00 0.00 175.55 170.84 2em3 s GLU 14 N 1.27 3.50 0.96 -0.62 2.12 -1.26 -0.96 118.70 123.71 2em3 s GLU 14 Ca 0.36 -0.59 -0.11 0.00 0.36 0.00 0.00 54.97 54.98 2em3 s GLU 14 Cb -0.05 -2.92 0.17 0.00 0.26 0.00 0.00 34.13 31.59 2em3 s GLU 14 CO -0.05 0.04 1.09 0.00 -0.54 0.00 0.00 175.26 175.80 2em3 n LYS 16 N -4.20 0.74 0.00 0.00 4.76 -1.26 -3.58 118.16 114.61 2em3 n LYS 16 Ca 0.07 -0.12 0.00 0.00 -2.87 0.00 0.00 58.31 55.39 2em3 n LYS 16 Cb 0.54 -1.40 0.00 0.00 -1.84 0.00 0.00 35.03 32.33 2em3 n LYS 16 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2em3 n VAL 17 N -2.21 0.00 0.61 -0.18 0.31 -1.26 -4.50 118.33 111.10 2em3 n VAL 17 Ca -0.09 0.48 0.12 0.00 -0.01 0.00 0.00 64.34 64.85 2em3 n VAL 17 Cb 0.58 -1.46 0.29 0.00 -0.91 0.00 0.00 33.84 32.34 2em3 n VAL 17 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2em3 n SER 19 N -2.17 -3.49 -4.90 0.00 7.64 -1.24 -4.99 113.62 104.48 2em3 n SER 19 Ca 0.04 -0.51 -0.33 0.00 1.01 0.00 0.00 58.87 59.08 2em3 n SER 19 Cb 0.43 -4.50 -0.05 0.00 -1.01 0.00 0.00 64.21 59.08 2em3 n SER 19 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2em3 s LYS 20 N -5.55 3.57 0.02 1.43 2.20 -1.26 -4.67 119.74 115.48 2em3 s LYS 20 Ca 0.20 -0.15 -0.02 0.00 -0.36 0.00 0.00 55.97 55.64 2em3 s LYS 20 Cb -0.09 -2.98 -0.04 0.00 -1.51 0.00 0.00 37.83 33.21 2em3 s LYS 20 CO 0.64 0.57 0.20 0.00 -0.36 0.00 0.00 175.35 176.40 2em3 s ALA 21 N -1.48 3.97 0.32 3.13 0.00 -1.26 -0.53 121.76 125.92 2em3 s ALA 21 Ca 0.34 -0.78 0.07 0.00 0.00 0.00 0.00 51.96 51.59 2em3 s ALA 21 Cb -0.13 -1.88 -0.02 0.00 0.00 0.00 0.00 23.12 21.09 2em3 s ALA 21 CO 0.22 0.77 0.24 1.19 0.00 0.00 0.00 175.76 178.18 2em3 n PHE 22 N 0.69 -0.57 -0.01 0.00 3.01 -0.14 -4.99 117.46 115.44 2em3 n PHE 22 Ca -0.08 -2.58 -0.01 0.00 1.01 0.00 0.00 57.45 55.78 2em3 n PHE 22 Cb 0.52 0.22 -0.02 0.00 -0.01 0.00 0.00 39.48 40.19 2em3 n PHE 22 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 2em3 n THR 23 N -0.64 0.15 -4.11 4.37 -2.24 -1.26 -4.27 114.28 106.28 2em3 n THR 23 Ca 0.05 -0.08 -0.34 0.00 -2.27 0.00 0.00 64.05 61.40 2em3 n THR 23 Cb 0.56 -0.83 -0.14 0.00 -2.10 0.00 0.00 70.33 67.82 2em3 n THR 23 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2em3 s GLN 24 N -2.05 3.35 0.55 -0.78 -1.52 -1.26 -4.98 119.66 112.97 2em3 s GLN 24 Ca -0.02 -0.65 0.40 0.00 -1.95 0.00 0.00 55.36 53.13 2em3 s GLN 24 Cb 0.01 -2.89 1.58 0.00 -0.22 0.00 0.00 33.01 31.48 2em3 s GLN 24 CO 0.08 -0.10 1.73 0.87 -0.25 0.00 0.00 175.29 177.62 2em3 h LYS 25 N 7.77 0.00 -0.56 2.91 1.79 -1.99 0.52 116.57 127.01 2em3 h LYS 25 Ca -0.39 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.06 2em3 h LYS 25 Cb 1.17 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.79 2em3 h LYS 25 CO 0.60 0.00 0.24 0.00 -1.08 0.00 0.00 179.45 179.21 2em3 h ALA 26 N 1.27 0.72 -0.43 3.86 0.00 -1.98 -0.65 119.26 122.05 2em3 h ALA 26 Ca 0.64 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 55.33 2em3 h ALA 26 Cb 2.63 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 20.18 2em3 h ALA 26 CO -0.01 0.31 -0.05 0.45 0.00 0.00 0.00 179.25 179.96 2em3 h HIS 27 N 0.76 0.78 0.25 0.00 3.86 -0.37 0.39 115.15 120.81 2em3 h HIS 27 Ca 0.19 -0.12 -0.01 0.00 -1.16 0.00 0.00 60.37 59.27 2em3 h HIS 27 Cb 0.17 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 28.43 2em3 h HIS 27 CO 0.00 0.76 -0.12 1.25 0.86 0.00 0.00 177.93 180.68 2em3 h LEU 28 N 0.67 -0.29 -0.24 2.43 5.85 -1.22 -1.37 115.31 121.14 2em3 h LEU 28 Ca 0.13 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.58 2em3 h LEU 28 Cb 0.49 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 2em3 h LEU 28 CO 0.03 0.13 0.01 0.00 -0.34 0.00 0.00 178.44 178.26 2em3 h ALA 29 N -0.18 0.33 0.00 1.25 0.00 -1.11 -2.46 119.26 117.09 2em3 h ALA 29 Ca -0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2em3 h ALA 29 Cb 0.50 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2em3 h ALA 29 CO 0.06 0.05 -0.04 -0.56 0.00 0.00 0.00 179.25 178.76 2em3 h GLN 30 N 0.20 0.00 0.02 0.00 -0.00 -0.30 -2.74 115.11 112.30 2em3 h GLN 30 Ca 0.07 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.72 2em3 h GLN 30 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.88 2em3 h GLN 30 CO 0.01 0.04 -0.01 1.25 -0.00 0.00 0.00 178.83 180.12 2em3 h HIS 31 N 0.00 -0.02 -0.77 0.06 2.76 -0.89 -3.28 115.15 113.01 2em3 h HIS 31 Ca -0.00 -0.00 0.31 0.00 -2.20 0.00 0.00 60.37 58.48 2em3 h HIS 31 Cb 0.12 0.01 -0.14 0.00 1.55 0.00 0.00 27.41 28.95 2em3 h HIS 31 CO 0.00 0.68 0.38 1.04 -1.30 0.00 0.00 177.93 178.73 2em3 n GLN 32 N -4.75 -0.05 -0.35 5.26 6.02 -0.96 0.42 117.38 122.98 2em3 n GLN 32 Ca -0.09 1.07 0.05 0.00 -0.01 0.00 0.00 57.00 58.02 2em3 n GLN 32 Cb 0.35 -1.90 0.13 0.00 1.02 0.00 0.00 30.24 29.84 2em3 n GLN 32 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2em3 n LYS 33 N -4.77 -0.10 -0.21 -1.09 5.02 -1.24 0.70 118.16 116.47 2em3 n LYS 33 Ca 0.28 1.50 0.01 0.00 -2.02 0.00 0.00 58.31 58.08 2em3 n LYS 33 Cb 0.95 -2.23 0.11 0.00 -0.02 0.00 0.00 35.03 33.84 2em3 n LYS 33 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 2em3 h THR 34 N 0.00 0.52 0.19 -0.18 1.35 -0.27 -1.80 112.91 112.73 2em3 h THR 34 Ca 0.45 -0.06 -0.00 0.00 -0.55 0.00 0.00 66.41 66.25 2em3 h THR 34 Cb 0.69 0.35 -0.01 0.00 -1.73 0.00 0.00 68.15 67.45 2em3 h THR 34 CO -0.99 0.03 -0.15 0.45 -0.25 0.00 0.00 175.52 174.61 2em3 h HIS 35 N 0.16 -0.39 -0.82 4.73 3.86 0.14 -2.59 115.15 120.24 2em3 h HIS 35 Ca 0.33 -0.00 0.31 0.00 -1.16 0.00 0.00 60.37 59.85 2em3 h HIS 35 Cb 0.54 0.15 -0.15 0.00 1.06 0.00 0.00 27.41 29.00 2em3 h HIS 35 CO -0.33 -0.23 0.31 2.41 0.86 0.00 0.00 177.93 180.95 2em3 n THR 36 N -5.27 -0.34 0.00 2.45 -1.04 -0.68 -4.39 114.28 105.00 2em3 n THR 36 Ca -0.08 1.71 0.00 0.00 -2.04 0.00 0.00 64.05 63.63 2em3 n THR 36 Cb 0.19 -2.68 0.00 0.00 -1.82 0.00 0.00 70.33 66.02 2em3 n THR 36 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2em3 n GLY 37 N -1.27 1.08 2.84 3.41 0.00 -0.98 -5.13 105.19 105.15 2em3 n GLY 37 Ca 0.28 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.09 2em3 n GLY 37 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2em3 s GLU 38 N 3.88 0.71 -0.29 1.61 2.56 -1.23 -5.03 118.70 120.92 2em3 s GLU 38 Ca 0.00 -0.02 -0.25 0.00 0.00 0.00 0.00 54.97 54.70 2em3 s GLU 38 Cb 0.00 -0.86 0.15 0.00 2.00 0.00 0.00 34.13 35.42 2em3 s GLU 38 CO 0.00 -0.16 1.22 0.21 -0.56 0.00 0.00 175.26 175.96 2em3 s LYS 39 N 1.29 0.30 -0.08 4.30 2.20 -1.26 -5.04 119.74 121.45 2em3 s LYS 39 Ca -0.05 0.35 -0.30 0.00 -0.36 0.00 0.00 55.97 55.61 2em3 s LYS 39 Cb -0.14 0.15 -0.04 0.00 -1.51 0.00 0.00 37.83 36.29 2em3 s LYS 39 CO -0.02 -0.04 1.51 -1.25 -0.36 0.00 0.00 175.35 175.19 2em3 s PRO 40 N 0.08 4.21 -0.11 4.03 0.04 -1.26 -4.94 135.00 137.05 2em3 s PRO 40 Ca 0.05 2.02 -0.29 0.00 0.04 0.00 0.00 61.00 62.82 2em3 s PRO 40 Cb -0.05 -3.87 -0.06 0.00 0.04 0.00 0.00 34.50 30.56 2em3 s PRO 40 CO -0.10 -0.78 1.99 0.45 0.04 0.00 0.00 177.00 178.60 2em3 s SER 41 N 2.78 6.08 0.05 6.66 0.15 -1.26 -4.97 113.70 123.18 2em3 s SER 41 Ca 0.67 2.18 0.07 0.00 0.70 0.00 0.00 55.95 59.57 2em3 s SER 41 Cb -0.30 -2.52 -0.03 0.00 -1.71 0.00 0.00 66.02 61.46 2em3 s SER 41 CO 0.25 -1.42 -0.20 -0.83 1.20 0.00 0.00 173.24 172.24 2em3 s GLY 42 N 5.78 1.11 -0.56 9.45 0.00 -1.26 -5.08 107.32 116.76 2em3 s GLY 42 Ca 0.89 -1.07 -0.27 0.00 0.00 0.00 0.00 44.72 44.28 2em3 s GLY 42 CO 0.37 -1.01 1.83 2.56 0.00 0.00 0.00 173.10 176.85 2em3 s PRO 43 N -1.26 2.79 -0.07 2.90 0.04 -1.26 -4.97 135.00 133.16 2em3 s PRO 43 Ca 0.07 0.76 0.05 0.00 0.04 0.00 0.00 61.00 61.92 2em3 s PRO 43 Cb -0.09 -4.34 -0.01 0.00 0.04 0.00 0.00 34.50 30.10 2em3 s PRO 43 CO 0.02 -2.53 -0.23 -1.54 0.04 0.00 0.00 177.00 172.76 2em3 s SER 44 N 7.55 3.24 1.08 6.66 1.04 -1.26 -5.13 113.70 126.88 2em3 s SER 44 Ca 0.69 -0.48 -0.15 0.00 0.48 0.00 0.00 55.95 56.49 2em3 s SER 44 Cb -0.14 -0.99 0.23 0.00 0.10 0.00 0.00 66.02 65.21 2em3 s SER 44 CO 0.23 0.23 1.12 -0.44 0.98 0.00 0.00 173.24 175.36 2em3 s SER 45 N -0.09 1.97 0.00 7.02 0.01 -1.26 -5.18 113.70 116.17 2em3 s SER 45 Ca -0.05 0.86 0.12 0.00 1.31 0.00 0.00 55.95 58.19 2em3 s SER 45 Cb -0.14 -1.31 0.09 0.00 0.21 0.00 0.00 66.02 64.87 2em3 s SER 45 CO 0.04 -3.50 0.88 0.61 0.41 0.00 0.00 173.24 171.68