#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2enh s SER 2 N 0.00 6.71 -0.80 1.61 0.01 -1.26 -4.99 113.70 114.98 2enh s SER 2 Ca 0.00 0.64 -0.16 0.00 1.31 0.00 0.00 55.95 57.73 2enh s SER 2 Cb 0.00 -2.49 0.17 0.00 0.21 0.00 0.00 66.02 63.91 2enh s SER 2 CO 0.00 -0.91 0.85 -0.44 0.41 0.00 0.00 173.24 173.15 2enh s SER 3 N 1.91 6.60 0.00 2.44 0.01 -1.26 -4.90 113.70 118.50 2enh s SER 3 Ca 0.40 -2.25 0.00 0.00 1.31 0.00 0.00 55.95 55.41 2enh s SER 3 Cb -0.11 -2.28 0.00 0.00 0.21 0.00 0.00 66.02 63.84 2enh s SER 3 CO 0.20 -0.82 0.00 0.61 0.41 0.00 0.00 173.24 173.64 2enh n GLY 4 N 4.70 -0.73 3.54 3.44 0.00 -1.26 -4.77 105.19 110.11 2enh n GLY 4 Ca 0.11 -1.46 -0.25 0.00 0.00 0.00 0.00 46.02 44.42 2enh n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2enh n SER 5 N -0.83 1.44 -0.02 1.61 2.88 -1.26 -4.78 113.62 112.66 2enh n SER 5 Ca 0.00 -0.86 -0.11 0.00 -1.33 0.00 0.00 58.87 56.57 2enh n SER 5 Cb 0.00 -1.42 -0.06 0.00 -0.75 0.00 0.00 64.21 61.98 2enh n SER 5 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2enh h SER 6 N 14.92 0.16 -4.32 -3.46 4.64 -1.96 -3.49 113.55 120.04 2enh h SER 6 Ca -0.09 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 2enh h SER 6 Cb 1.14 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 2enh h SER 6 CO 1.17 0.24 0.00 0.61 -0.87 0.00 0.00 176.83 177.99 2enh n GLY 7 N -0.79 -2.60 3.80 -0.77 0.00 -1.26 -4.91 105.19 98.66 2enh n GLY 7 Ca -0.05 -1.69 -0.36 0.00 0.00 0.00 0.00 46.02 43.92 2enh n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2enh s THR 8 N -0.64 5.42 0.00 2.61 -4.23 -1.26 -4.88 115.64 112.66 2enh s THR 8 Ca 0.00 0.28 0.00 0.00 -1.18 0.00 0.00 61.69 60.79 2enh s THR 8 Cb 0.00 -3.47 0.00 0.00 1.34 0.00 0.00 72.50 70.37 2enh s THR 8 CO 0.00 0.52 0.00 0.61 -0.54 0.00 0.00 174.62 175.21 2enh n GLY 9 N 2.72 -0.25 0.28 3.99 0.00 -1.26 -5.02 105.19 105.65 2enh n GLY 9 Ca -0.17 0.06 0.15 0.00 0.00 0.00 0.00 46.02 46.06 2enh n GLY 9 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2enh h GLU 10 N 0.00 0.00 -2.97 1.61 3.07 -1.99 -3.44 114.58 110.85 2enh h GLU 10 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 2enh h GLU 10 Cb 0.00 0.00 -0.12 0.00 -0.84 0.00 0.00 28.75 27.79 2enh h GLU 10 CO 0.00 0.07 0.19 0.15 -1.40 0.00 0.00 179.01 178.02 2enh s LYS 11 N -4.28 1.26 0.41 2.33 1.02 -1.26 -5.03 119.74 114.19 2enh s LYS 11 Ca -0.03 -0.45 0.29 0.00 0.02 0.00 0.00 55.97 55.80 2enh s LYS 11 Cb 0.13 0.58 1.21 0.00 -0.52 0.00 0.00 37.83 39.23 2enh s LYS 11 CO 0.55 -0.54 1.86 -1.00 -0.92 0.00 0.00 175.35 175.30 2enh h PRO 12 N 2.07 0.00 -4.32 -1.68 0.13 -1.91 -3.40 132.00 122.88 2enh h PRO 12 Ca -0.34 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.20 2enh h PRO 12 Cb 1.30 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 32.05 2enh h PRO 12 CO 0.38 0.00 -0.79 0.71 -0.23 0.00 0.00 178.00 178.07 2enh s TYR 13 N -3.51 2.10 -0.02 1.56 2.02 -1.26 -5.09 117.35 113.15 2enh s TYR 13 Ca 0.02 -1.43 -0.14 0.00 -0.37 0.00 0.00 57.07 55.15 2enh s TYR 13 Cb 0.09 -1.48 0.02 0.00 -0.40 0.00 0.00 41.96 40.19 2enh s TYR 13 CO 0.47 -0.70 0.29 -2.00 -1.57 0.00 0.00 175.55 172.04 2enh s GLU 14 N 1.50 0.64 -0.11 -0.62 2.12 -1.26 -3.04 118.70 117.93 2enh s GLU 14 Ca -0.02 -0.18 -0.20 0.00 0.36 0.00 0.00 54.97 54.93 2enh s GLU 14 Cb -0.17 0.28 -0.04 0.00 0.26 0.00 0.00 34.13 34.47 2enh s GLU 14 CO -0.07 -0.17 0.57 0.00 -0.54 0.00 0.00 175.26 175.04 2enh n ASP 16 N 3.89 2.67 0.00 0.00 2.03 -1.26 -1.00 116.55 122.88 2enh n ASP 16 Ca -0.04 -2.33 0.00 0.00 0.52 0.00 0.00 54.79 52.94 2enh n ASP 16 Cb 0.51 -0.57 0.00 0.00 -0.72 0.00 0.00 41.12 40.35 2enh n ASP 16 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2enh n VAL 17 N 0.12 0.00 0.34 5.18 0.31 -1.26 -4.87 118.33 118.15 2enh n VAL 17 Ca 0.11 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.48 2enh n VAL 17 Cb 0.64 -0.99 -0.03 0.00 -0.91 0.00 0.00 33.84 32.55 2enh n VAL 17 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2enh n ARG 19 N -0.95 -6.17 -3.72 0.00 5.12 -0.17 -4.99 116.66 105.77 2enh n ARG 19 Ca 0.02 0.76 -0.36 0.00 -1.93 0.00 0.00 57.85 56.35 2enh n ARG 19 Cb 0.12 -5.55 -0.09 0.00 -1.16 0.00 0.00 32.46 25.79 2enh n ARG 19 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 2enh s LYS 20 N -5.37 4.12 0.21 5.56 2.20 -1.26 -4.80 119.74 120.40 2enh s LYS 20 Ca 0.08 -0.25 -0.15 0.00 -0.36 0.00 0.00 55.97 55.29 2enh s LYS 20 Cb -0.04 -3.45 -0.08 0.00 -1.51 0.00 0.00 37.83 32.76 2enh s LYS 20 CO 0.66 0.20 0.63 0.00 -0.36 0.00 0.00 175.35 176.47 2enh s ALA 21 N 0.65 3.49 0.05 3.13 0.00 -1.26 -2.54 121.76 125.28 2enh s ALA 21 Ca 0.07 -0.05 0.04 0.00 0.00 0.00 0.00 51.96 52.02 2enh s ALA 21 Cb -0.12 -2.63 -0.02 0.00 0.00 0.00 0.00 23.12 20.35 2enh s ALA 21 CO 0.01 0.41 -0.11 -0.06 0.00 0.00 0.00 175.76 176.01 2enh s PHE 22 N -1.63 0.95 -0.01 0.00 0.40 -1.17 -5.04 117.98 111.48 2enh s PHE 22 Ca 0.44 -0.45 -0.24 0.00 -0.60 0.00 0.00 56.93 56.08 2enh s PHE 22 Cb -0.14 -0.55 -0.16 0.00 0.51 0.00 0.00 43.02 42.68 2enh s PHE 22 CO 0.20 -0.01 1.14 1.03 0.70 0.00 0.00 175.22 178.28 2enh h SER 23 N 4.54 -0.30 -2.00 1.36 0.87 -1.99 -3.43 113.55 112.60 2enh h SER 23 Ca -0.38 -0.22 -0.44 0.00 -1.23 0.00 0.00 61.79 59.52 2enh h SER 23 Cb 1.19 0.08 0.02 0.00 -0.44 0.00 0.00 62.40 63.25 2enh h SER 23 CO 0.41 0.11 -0.25 -2.28 -0.53 0.00 0.00 176.83 174.30 2enh s HIS 24 N -4.34 3.05 0.01 2.24 5.65 -1.26 -4.99 115.29 115.66 2enh s HIS 24 Ca -0.14 -0.14 -0.19 0.00 0.25 0.00 0.00 55.06 54.84 2enh s HIS 24 Cb 0.02 -2.21 -0.22 0.00 -1.18 0.00 0.00 32.58 28.99 2enh s HIS 24 CO 0.53 -0.24 1.13 1.12 -0.65 0.00 0.00 174.74 176.62 2enh h HIS 25 N 0.66 0.63 -0.26 3.88 -0.00 -1.99 -3.32 115.15 114.76 2enh h HIS 25 Ca -0.44 -0.33 0.06 0.00 -0.00 0.00 0.00 60.37 59.66 2enh h HIS 25 Cb 1.26 -0.08 -0.07 0.00 -0.00 0.00 0.00 27.41 28.53 2enh h HIS 25 CO 0.42 1.13 -0.22 0.00 -0.00 0.00 0.00 177.93 179.26 2enh h ALA 26 N 0.36 -0.08 -1.49 6.11 0.00 -1.99 0.51 119.26 122.68 2enh h ALA 26 Ca -0.07 0.08 0.43 0.00 0.00 0.00 0.00 54.91 55.36 2enh h ALA 26 Cb 1.27 0.47 -0.06 0.00 0.00 0.00 0.00 17.79 19.48 2enh h ALA 26 CO 0.12 -0.64 1.20 1.03 0.00 0.00 0.00 179.25 180.95 2enh h SER 27 N -0.22 0.00 0.03 0.00 0.87 -1.99 0.11 113.55 112.36 2enh h SER 27 Ca 0.14 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.70 2enh h SER 27 Cb 0.43 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 2enh h SER 27 CO -0.38 0.00 -0.01 0.25 -0.53 0.00 0.00 176.83 176.15 2enh h LEU 28 N 0.00 -0.03 -1.90 2.23 5.85 -1.04 -1.93 115.31 118.49 2enh h LEU 28 Ca 0.71 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 59.27 2enh h LEU 28 Cb 3.09 0.01 0.00 0.00 0.37 0.00 0.00 40.66 44.13 2enh h LEU 28 CO -0.01 0.54 0.36 0.00 -0.34 0.00 0.00 178.44 178.99 2enh h THR 29 N -1.01 0.00 0.00 1.05 1.03 -0.58 -1.18 112.91 112.22 2enh h THR 29 Ca -0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 66.41 66.20 2enh h THR 29 Cb 0.18 0.63 -0.03 0.00 -1.07 0.00 0.00 68.15 67.87 2enh h THR 29 CO 0.01 0.00 -1.16 -0.61 -0.01 0.00 0.00 175.52 173.75 2enh h GLN 30 N 0.00 0.00 -0.66 0.00 -0.00 -1.18 -3.39 115.11 109.89 2enh h GLN 30 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 58.65 58.76 2enh h GLN 30 Cb 0.72 0.00 -0.08 0.00 0.00 0.00 0.00 27.48 28.11 2enh h GLN 30 CO 0.00 0.85 0.23 1.25 0.00 0.00 0.00 178.83 181.16 2enh h HIS 31 N -1.00 0.39 -1.39 3.99 2.76 -0.46 -1.13 115.15 118.31 2enh h HIS 31 Ca -0.30 0.03 0.42 0.00 -2.20 0.00 0.00 60.37 58.33 2enh h HIS 31 Cb 1.19 -0.08 -0.08 0.00 1.55 0.00 0.00 27.41 29.99 2enh h HIS 31 CO 0.05 0.06 0.97 1.04 -1.30 0.00 0.00 177.93 178.75 2enh n GLN 32 N -5.02 -0.01 -0.11 5.26 1.13 -0.54 0.48 117.38 118.56 2enh n GLN 32 Ca 0.11 0.89 -0.07 0.00 -1.94 0.00 0.00 57.00 55.98 2enh n GLN 32 Cb 0.33 -1.95 -0.01 0.00 0.11 0.00 0.00 30.24 28.72 2enh n GLN 32 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2enh h ARG 33 N 0.00 -0.23 -1.25 -1.09 3.08 -1.44 0.19 114.38 113.64 2enh h ARG 33 Ca 0.72 0.02 0.36 0.00 0.07 0.00 0.00 59.98 61.15 2enh h ARG 33 Cb 2.71 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 32.76 2enh h ARG 33 CO -0.13 -0.15 1.23 1.33 -1.07 0.00 0.00 179.97 181.18 2enh n VAL 34 N -5.41 0.00 -3.95 2.04 0.24 0.18 -4.29 118.33 107.13 2enh n VAL 34 Ca 0.01 1.27 -0.21 0.00 -2.04 0.00 0.00 64.34 63.36 2enh n VAL 34 Cb 0.33 -2.22 -0.04 0.00 -1.47 0.00 0.00 33.84 30.44 2enh n VAL 34 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 2enh s HIS 35 N -4.46 3.04 -0.10 6.34 3.76 0.67 -5.11 115.29 119.44 2enh s HIS 35 Ca -0.03 -0.19 0.00 0.00 -0.15 0.00 0.00 55.06 54.69 2enh s HIS 35 Cb 0.17 -1.60 -0.02 0.00 1.11 0.00 0.00 32.58 32.23 2enh s HIS 35 CO 0.56 0.35 -0.10 0.45 -0.85 0.00 0.00 174.74 175.15 2enh s SER 36 N -3.93 4.34 -0.62 1.40 0.15 -1.26 -4.98 113.70 108.80 2enh s SER 36 Ca 0.37 -0.17 0.06 0.00 0.70 0.00 0.00 55.95 56.91 2enh s SER 36 Cb -0.07 -1.33 0.25 0.00 -1.71 0.00 0.00 66.02 63.16 2enh s SER 36 CO 0.26 0.27 0.73 0.61 1.20 0.00 0.00 173.24 176.31 2enh n GLY 37 N 2.85 4.66 3.63 9.45 0.00 -1.26 -4.85 105.19 119.67 2enh n GLY 37 Ca -0.18 -2.68 -0.23 0.00 0.00 0.00 0.00 46.02 42.93 2enh n GLY 37 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2enh n GLU 38 N 0.90 -6.98 -4.64 1.61 1.02 -1.26 -4.99 120.64 106.31 2enh n GLU 38 Ca 0.29 0.77 -0.34 0.00 -0.02 0.00 0.00 57.16 57.87 2enh n GLU 38 Cb 0.42 -5.75 -0.12 0.00 -0.02 0.00 0.00 31.44 25.97 2enh n GLU 38 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2enh s LYS 39 N -6.12 3.01 0.01 3.49 2.47 -1.26 -5.03 119.74 116.30 2enh s LYS 39 Ca 0.41 -0.58 -0.23 0.00 -1.56 0.00 0.00 55.97 54.01 2enh s LYS 39 Cb -0.19 -2.64 -0.17 0.00 -1.46 0.00 0.00 37.83 33.37 2enh s LYS 39 CO 0.76 0.50 1.30 -1.00 0.16 0.00 0.00 175.35 177.07 2enh h PRO 40 N 5.79 0.18 -0.73 4.03 0.13 -1.94 -3.24 132.00 136.22 2enh h PRO 40 Ca -0.41 -0.10 0.11 0.00 -0.87 0.00 0.00 66.00 64.73 2enh h PRO 40 Cb 1.18 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.24 2enh h PRO 40 CO 0.55 0.62 0.35 0.77 -0.23 0.00 0.00 178.00 180.06 2enh h SER 41 N -0.25 0.43 -1.75 1.44 0.02 -2.03 -3.43 113.55 107.98 2enh h SER 41 Ca 0.01 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2enh h SER 41 Cb 0.59 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.13 2enh h SER 41 CO 0.02 0.22 0.00 0.61 -1.14 0.00 0.00 176.83 176.54 2enh n GLY 42 N -1.31 -1.75 3.62 -3.77 0.00 -1.22 -5.05 105.19 95.70 2enh n GLY 42 Ca 0.12 -1.57 -0.30 0.00 0.00 0.00 0.00 46.02 44.28 2enh n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2enh s PRO 43 N -2.98 -0.80 -0.05 1.61 0.04 -1.26 -4.95 135.00 126.60 2enh s PRO 43 Ca 0.00 0.08 0.05 0.00 0.04 0.00 0.00 61.00 61.18 2enh s PRO 43 Cb 0.00 -1.63 -0.02 0.00 0.04 0.00 0.00 34.50 32.89 2enh s PRO 43 CO 0.00 -3.46 -0.22 0.45 0.04 0.00 0.00 177.00 173.81 2enh s SER 44 N -3.78 3.37 -0.15 6.66 0.15 -1.26 -4.74 113.70 113.95 2enh s SER 44 Ca 0.69 -0.41 -0.12 0.00 0.70 0.00 0.00 55.95 56.81 2enh s SER 44 Cb -0.12 -0.79 0.04 0.00 -1.71 0.00 0.00 66.02 63.45 2enh s SER 44 CO 0.56 0.28 0.38 -0.94 1.20 0.00 0.00 173.24 174.72 2enh s SER 45 N -0.36 -0.41 0.00 5.45 1.04 -1.26 -5.18 113.70 112.98 2enh s SER 45 Ca 0.03 0.78 0.24 0.00 0.48 0.00 0.00 55.95 57.47 2enh s SER 45 Cb -0.12 0.76 1.42 0.00 0.10 0.00 0.00 66.02 68.17 2enh s SER 45 CO 0.02 -0.15 1.78 0.61 0.98 0.00 0.00 173.24 176.49