#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 6.51 0.01 1.61 1.04 -1.26 -4.59 113.70 117.02 2enh s SER 2 Ca 0.00 -1.57 0.00 0.00 0.48 0.00 0.00 55.95 54.86 2enh s SER 2 Cb 0.00 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.60 2enh s SER 2 CO 0.00 -1.39 0.00 -1.20 0.98 0.00 0.00 173.24 171.63 2enh n SER 3 N 8.19 0.05 -4.46 7.02 7.64 -1.26 -5.01 113.62 125.79 2enh n SER 3 Ca 0.28 0.01 -0.40 0.00 1.01 0.00 0.00 58.87 59.78 2enh n SER 3 Cb 0.50 -0.01 -0.11 0.00 -1.01 0.00 0.00 64.21 63.58 2enh n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2enh s GLY 4 N -4.95 1.92 -0.00 0.23 0.00 -1.26 -5.06 107.32 98.19 2enh s GLY 4 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 44.72 43.26 2enh s GLY 4 CO 0.00 0.76 -0.01 -1.35 0.00 0.00 0.00 173.10 172.50 2enh s SER 5 N 1.64 0.13 -0.44 1.64 1.04 -1.26 -5.04 113.70 111.42 2enh s SER 5 Ca 0.05 -0.02 -0.02 0.00 0.48 0.00 0.00 55.95 56.44 2enh s SER 5 Cb -0.18 -0.02 0.24 0.00 0.10 0.00 0.00 66.02 66.17 2enh s SER 5 CO 0.08 0.01 2.16 -1.54 0.98 0.00 0.00 173.24 174.93 2enh n SER 6 N 3.09 6.78 -4.12 7.02 3.41 -1.26 -4.85 113.62 123.69 2enh n SER 6 Ca -0.13 -3.27 -0.31 0.00 -0.26 0.00 0.00 58.87 54.90 2enh n SER 6 Cb 0.59 -1.07 -0.08 0.00 -0.26 0.00 0.00 64.21 63.39 2enh n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2enh n GLY 7 N 0.14 -0.19 0.29 5.00 0.00 -1.26 -4.72 105.19 104.45 2enh n GLY 7 Ca 0.41 0.13 0.18 0.00 0.00 0.00 0.00 46.02 46.74 2enh n GLY 7 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2enh n THR 8 N -3.97 -0.36 -3.64 2.61 -2.24 -1.26 -4.51 114.28 100.91 2enh n THR 8 Ca -0.16 1.81 -0.09 0.00 -2.27 0.00 0.00 64.05 63.34 2enh n THR 8 Cb 0.54 -2.76 -0.07 0.00 -2.10 0.00 0.00 70.33 65.94 2enh n THR 8 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2enh s GLY 9 N -4.26 -0.25 -0.00 3.38 0.00 -1.26 -5.03 107.32 99.89 2enh s GLY 9 Ca -0.10 2.57 0.09 0.00 0.00 0.00 0.00 44.72 47.29 2enh s GLY 9 CO 0.66 1.93 0.31 -1.84 0.00 0.00 0.00 173.10 174.16 2enh n GLU 10 N 2.59 2.69 -3.83 2.90 0.28 -1.26 -5.02 120.64 118.99 2enh n GLU 10 Ca -0.14 -0.03 -0.12 0.00 -0.16 0.00 0.00 57.16 56.71 2enh n GLU 10 Cb 0.56 -1.03 -0.10 0.00 1.43 0.00 0.00 31.44 32.30 2enh n GLU 10 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2enh s LYS 11 N -2.13 0.50 0.10 3.44 -0.14 -1.26 -5.03 119.74 115.22 2enh s LYS 11 Ca 0.01 -0.23 0.18 0.00 -1.36 0.00 0.00 55.97 54.56 2enh s LYS 11 Cb 0.06 0.21 0.75 0.00 -1.68 0.00 0.00 37.83 37.17 2enh s LYS 11 CO 0.37 -0.12 1.55 -0.35 -0.76 0.00 0.00 175.35 176.04 2enh n PRO 12 N 1.65 0.07 -3.74 -1.68 -0.04 -1.26 -4.54 135.00 125.46 2enh n PRO 12 Ca -0.21 0.32 -0.22 0.00 -0.04 0.00 0.00 63.50 63.35 2enh n PRO 12 Cb 0.56 -1.64 -0.18 0.00 -0.04 0.00 0.00 33.50 32.20 2enh n PRO 12 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2enh s TYR 13 N -3.12 0.54 -0.03 0.54 2.02 -1.26 -5.09 117.35 110.95 2enh s TYR 13 Ca 0.06 -0.10 -0.00 0.00 -0.37 0.00 0.00 57.07 56.65 2enh s TYR 13 Cb 0.09 -0.74 0.03 0.00 -0.40 0.00 0.00 41.96 40.95 2enh s TYR 13 CO 0.31 -0.31 0.04 -2.00 -1.57 0.00 0.00 175.55 172.02 2enh s GLU 14 N 2.02 -0.03 0.14 -0.62 2.12 -1.26 -3.23 118.70 117.84 2enh s GLU 14 Ca 0.05 0.22 -0.31 0.00 0.36 0.00 0.00 54.97 55.29 2enh s GLU 14 Cb -0.12 -0.27 -0.10 0.00 0.26 0.00 0.00 34.13 33.90 2enh s GLU 14 CO -0.05 -0.19 1.57 0.00 -0.54 0.00 0.00 175.26 176.05 2enh n ASP 16 N 4.26 2.51 0.04 0.00 8.00 -1.26 -1.21 116.55 128.88 2enh n ASP 16 Ca 0.14 -2.28 0.00 0.00 0.71 0.00 0.00 54.79 53.36 2enh n ASP 16 Cb 0.39 -0.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 2enh n ASP 16 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2enh n VAL 17 N 0.13 0.41 0.48 2.53 0.31 -1.26 -4.86 118.33 116.07 2enh n VAL 17 Ca 0.09 0.13 0.06 0.00 -0.01 0.00 0.00 64.34 64.61 2enh n VAL 17 Cb 0.59 -1.24 0.03 0.00 -0.91 0.00 0.00 33.84 32.31 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 0.39 -6.79 -2.20 0.00 3.00 -0.35 -4.99 116.66 105.73 2enh n ARG 19 Ca 0.06 0.82 -0.26 0.00 -0.01 0.00 0.00 57.85 58.46 2enh n ARG 19 Cb 0.27 -5.78 0.07 0.00 0.00 0.00 0.00 32.46 27.02 2enh n ARG 19 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2enh s LYS 20 N -5.57 2.25 -0.07 5.56 -0.14 -1.25 -4.76 119.74 115.76 2enh s LYS 20 Ca 0.15 -0.22 0.02 0.00 -1.36 0.00 0.00 55.97 54.56 2enh s LYS 20 Cb -0.07 -2.17 0.02 0.00 -1.68 0.00 0.00 37.83 33.93 2enh s LYS 20 CO 0.71 -1.21 -0.10 0.00 -0.76 0.00 0.00 175.35 173.99 2enh s ALA 21 N -3.24 1.11 0.27 5.17 0.00 -1.26 -2.42 121.76 121.39 2enh s ALA 21 Ca 0.60 -0.34 0.08 0.00 0.00 0.00 0.00 51.96 52.30 2enh s ALA 21 Cb -0.11 -0.57 -0.05 0.00 0.00 0.00 0.00 23.12 22.38 2enh s ALA 21 CO 0.45 0.01 -0.10 -0.06 0.00 0.00 0.00 175.76 176.06 2enh s PHE 22 N 0.87 2.00 -0.17 0.00 0.08 -1.20 -5.07 117.98 114.49 2enh s PHE 22 Ca -0.11 -0.59 -0.16 0.00 0.12 0.00 0.00 56.93 56.19 2enh s PHE 22 Cb -0.15 -1.05 -0.22 0.00 -0.57 0.00 0.00 43.02 41.02 2enh s PHE 22 CO 0.01 0.40 0.30 0.66 -0.10 0.00 0.00 175.22 176.49 2enh h SER 23 N 2.31 0.18 -2.65 1.36 4.64 -1.98 -3.42 113.55 113.99 2enh h SER 23 Ca -0.40 -0.70 -0.52 0.00 -0.47 0.00 0.00 61.79 59.70 2enh h SER 23 Cb 1.24 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 63.25 2enh h SER 23 CO 0.65 1.64 -0.38 -2.28 -0.87 0.00 0.00 176.83 175.58 2enh s HIS 24 N -2.44 3.48 0.03 4.77 5.65 -1.26 -4.98 115.29 120.54 2enh s HIS 24 Ca -0.26 0.21 -0.27 0.00 0.25 0.00 0.00 55.06 55.00 2enh s HIS 24 Cb 0.06 -1.75 -0.17 0.00 -1.18 0.00 0.00 32.58 29.54 2enh s HIS 24 CO 0.67 0.42 1.33 1.25 -0.65 0.00 0.00 174.74 177.76 2enh h HIS 25 N 1.86 -0.52 -0.65 3.88 2.76 -1.98 -3.18 115.15 117.32 2enh h HIS 25 Ca -0.49 -0.01 0.14 0.00 -2.20 0.00 0.00 60.37 57.81 2enh h HIS 25 Cb 1.20 0.17 -0.12 0.00 1.55 0.00 0.00 27.41 30.21 2enh h HIS 25 CO 0.53 -0.21 -0.08 0.00 -1.30 0.00 0.00 177.93 176.88 2enh h ALA 26 N -0.34 0.55 -1.62 5.26 0.00 -1.99 0.29 119.26 121.41 2enh h ALA 26 Ca -0.06 0.23 0.47 0.00 0.00 0.00 0.00 54.91 55.55 2enh h ALA 26 Cb 0.54 0.42 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 2enh h ALA 26 CO 0.09 -0.42 1.20 0.77 0.00 0.00 0.00 179.25 180.89 2enh h SER 27 N 0.06 0.00 0.01 0.00 0.02 -1.97 0.27 113.55 111.94 2enh h SER 27 Ca 0.33 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.28 2enh h SER 27 Cb 0.54 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.08 2enh h SER 27 CO -0.62 0.00 -0.01 0.25 -1.14 0.00 0.00 176.83 175.32 2enh h LEU 28 N 0.00 -0.02 -2.63 5.07 5.85 -0.50 -2.17 115.31 120.91 2enh h LEU 28 Ca 0.77 -0.50 0.01 0.00 0.84 0.00 0.00 57.88 59.00 2enh h LEU 28 Cb 3.16 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 44.19 2enh h LEU 28 CO -0.01 0.72 0.06 0.00 -0.34 0.00 0.00 178.44 178.88 2enh h THR 29 N -0.99 0.22 0.06 1.05 1.03 -0.56 -1.54 112.91 112.18 2enh h THR 29 Ca -0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 66.41 66.21 2enh h THR 29 Cb 0.51 0.94 -0.01 0.00 -1.07 0.00 0.00 68.15 68.53 2enh h THR 29 CO 0.00 0.00 -0.99 -0.61 -0.01 0.00 0.00 175.52 173.92 2enh h GLN 30 N 0.00 0.13 -0.48 0.00 5.75 -0.71 -3.37 115.11 116.44 2enh h GLN 30 Ca 0.01 -0.23 0.03 0.00 -0.15 0.00 0.00 58.65 58.32 2enh h GLN 30 Cb 0.14 0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.74 2enh h GLN 30 CO -0.00 1.11 0.26 1.25 -2.65 0.00 0.00 178.83 178.79 2enh h HIS 31 N -0.64 0.47 -1.64 3.99 2.76 -0.80 -2.08 115.15 117.20 2enh h HIS 31 Ca -0.23 0.02 0.48 0.00 -2.20 0.00 0.00 60.37 58.44 2enh h HIS 31 Cb 1.46 -0.14 -0.07 0.00 1.55 0.00 0.00 27.41 30.21 2enh h HIS 31 CO 0.16 0.25 1.18 1.04 -1.30 0.00 0.00 177.93 179.26 2enh n GLN 32 N -4.87 -0.00 -0.13 5.26 6.02 -0.63 0.24 117.38 123.27 2enh n GLN 32 Ca 0.03 0.90 -0.06 0.00 -0.01 0.00 0.00 57.00 57.87 2enh n GLN 32 Cb 0.10 -2.08 0.00 0.00 1.02 0.00 0.00 30.24 29.28 2enh n GLN 32 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2enh h ARG 33 N 0.00 -0.19 -1.26 -1.09 3.08 -1.58 0.20 114.38 113.54 2enh h ARG 33 Ca 0.78 0.01 0.37 0.00 0.07 0.00 0.00 59.98 61.21 2enh h ARG 33 Cb 3.14 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 33.18 2enh h ARG 33 CO -0.02 -0.12 1.22 1.33 -1.07 0.00 0.00 179.97 181.31 2enh n VAL 34 N -5.41 0.00 -4.01 2.04 0.24 0.14 -4.12 118.33 107.20 2enh n VAL 34 Ca 0.02 1.25 -0.36 0.00 -2.04 0.00 0.00 64.34 63.21 2enh n VAL 34 Cb 0.33 -2.19 -0.07 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 -4.44 3.47 0.06 6.34 3.76 0.70 -5.02 115.29 120.15 2enh s HIS 35 Ca -0.03 0.43 -0.27 0.00 -0.15 0.00 0.00 55.06 55.03 2enh s HIS 35 Cb 0.17 -1.91 -0.17 0.00 1.11 0.00 0.00 32.58 31.78 2enh s HIS 35 CO 0.57 0.65 1.54 1.03 -0.85 0.00 0.00 174.74 177.67 2enh h SER 36 N 5.09 -0.38 -3.84 1.40 0.87 -1.81 -3.49 113.55 111.39 2enh h SER 36 Ca -0.53 -0.06 0.14 0.00 -1.23 0.00 0.00 61.79 60.11 2enh h SER 36 Cb 1.22 0.10 -0.07 0.00 -0.44 0.00 0.00 62.40 63.21 2enh h SER 36 CO 0.58 -0.18 -0.45 0.61 -0.53 0.00 0.00 176.83 176.85 2enh n GLY 37 N -0.97 -2.71 3.38 5.77 0.00 -1.26 -4.65 105.19 104.74 2enh n GLY 37 Ca -0.10 -1.31 -0.45 0.00 0.00 0.00 0.00 46.02 44.16 2enh n GLY 37 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2enh s GLU 38 N -3.20 4.11 0.01 1.61 8.01 -1.26 -4.98 118.70 122.99 2enh s GLU 38 Ca 0.00 -2.94 0.00 0.00 0.01 0.00 0.00 54.97 52.04 2enh s GLU 38 Cb 0.00 -4.70 -0.01 0.00 -4.31 0.00 0.00 34.13 25.11 2enh s GLU 38 CO 0.00 -1.40 -0.02 0.15 0.01 0.00 0.00 175.26 173.99 2enh s LYS 39 N -0.25 0.21 0.93 1.61 -0.14 -1.26 -5.16 119.74 115.67 2enh s LYS 39 Ca 0.33 -0.29 -0.12 0.00 -1.36 0.00 0.00 55.97 54.53 2enh s LYS 39 Cb -0.08 -0.05 0.15 0.00 -1.68 0.00 0.00 37.83 36.17 2enh s LYS 39 CO -0.06 0.00 1.09 -1.25 -0.76 0.00 0.00 175.35 174.38 2enh s PRO 40 N -0.64 1.01 0.11 -1.68 0.04 -1.26 -4.96 135.00 127.63 2enh s PRO 40 Ca -0.06 0.73 -0.31 0.00 0.04 0.00 0.00 61.00 61.40 2enh s PRO 40 Cb -0.04 -1.79 -0.08 0.00 0.04 0.00 0.00 34.50 32.63 2enh s PRO 40 CO -0.00 -2.39 1.44 0.45 0.04 0.00 0.00 177.00 176.54 2enh s SER 41 N -3.44 6.77 0.06 6.66 0.15 -1.26 -5.02 113.70 117.63 2enh s SER 41 Ca 0.64 2.37 0.01 0.00 0.70 0.00 0.00 55.95 59.67 2enh s SER 41 Cb -0.18 -2.59 0.01 0.00 -1.71 0.00 0.00 66.02 61.55 2enh s SER 41 CO 0.57 -0.70 0.05 0.61 1.20 0.00 0.00 173.24 174.97 2enh n GLY 42 N 3.57 2.79 3.55 9.45 0.00 -1.26 -5.03 105.19 118.26 2enh n GLY 42 Ca 0.12 -2.17 -0.38 0.00 0.00 0.00 0.00 46.02 43.59 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 -2.24 2.62 0.59 1.61 0.04 -1.26 -4.96 135.00 131.40 2enh s PRO 43 Ca 0.04 0.57 -0.18 0.00 0.04 0.00 0.00 61.00 61.47 2enh s PRO 43 Cb -0.00 -4.42 -0.06 0.00 0.04 0.00 0.00 34.50 30.05 2enh s PRO 43 CO 0.02 -2.77 0.74 -1.13 0.04 0.00 0.00 177.00 173.90 2enh n SER 44 N 12.83 -0.18 -4.87 6.66 3.41 -1.26 -4.96 113.62 125.26 2enh n SER 44 Ca 0.21 0.76 -0.31 0.00 -0.26 0.00 0.00 58.87 59.27 2enh n SER 44 Cb 0.52 -1.28 -0.01 0.00 -0.26 0.00 0.00 64.21 63.18 2enh n SER 44 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2enh s SER 45 N -1.23 6.37 0.00 4.04 0.15 -1.26 -5.33 113.70 116.43 2enh s SER 45 Ca 0.73 1.40 0.00 0.00 0.70 0.00 0.00 55.95 58.78 2enh s SER 45 Cb -0.43 -2.45 0.00 0.00 -1.71 0.00 0.00 66.02 61.43 2enh s SER 45 CO 0.50 -0.73 0.00 0.61 1.20 0.00 0.00 173.24 174.82