#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 6.63 -0.23 1.61 1.04 -1.26 -4.91 113.70 116.59 2enh s SER 2 Ca 0.00 0.64 -0.11 0.00 0.48 0.00 0.00 55.95 56.96 2enh s SER 2 Cb 0.00 -2.39 -0.10 0.00 0.10 0.00 0.00 66.02 63.64 2enh s SER 2 CO 0.00 -0.56 -0.29 -1.20 0.98 0.00 0.00 173.24 172.18 2enh n SER 3 N 6.07 1.61 -3.90 7.02 7.64 -1.26 -5.07 113.62 125.73 2enh n SER 3 Ca 0.02 0.26 -0.09 0.00 1.01 0.00 0.00 58.87 60.08 2enh n SER 3 Cb 0.48 -0.65 -0.08 0.00 -1.01 0.00 0.00 64.21 62.95 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 -5.43 0.16 0.03 0.23 0.00 -1.26 -5.17 107.32 95.88 2enh s GLY 4 Ca -0.31 -0.71 0.04 0.00 0.00 0.00 0.00 44.72 43.74 2enh s GLY 4 CO 0.40 -0.88 -0.08 -1.35 0.00 0.00 0.00 173.10 171.19 2enh s SER 5 N -2.81 4.55 1.20 1.64 1.04 -1.26 -5.12 113.70 112.93 2enh s SER 5 Ca 0.04 -0.22 -0.18 0.00 0.48 0.00 0.00 55.95 56.08 2enh s SER 5 Cb 0.05 -1.01 0.28 0.00 0.10 0.00 0.00 66.02 65.45 2enh s SER 5 CO -0.10 0.25 1.07 -0.94 0.98 0.00 0.00 173.24 174.50 2enh s SER 6 N -1.66 0.92 0.00 7.02 1.04 -1.26 -4.88 113.70 114.89 2enh s SER 6 Ca 0.19 0.85 0.00 0.00 0.48 0.00 0.00 55.95 57.47 2enh s SER 6 Cb -0.11 -1.26 0.00 0.00 0.10 0.00 0.00 66.02 64.75 2enh s SER 6 CO 0.10 -4.15 0.00 0.61 0.98 0.00 0.00 173.24 170.78 2enh n GLY 7 N -0.44 0.78 2.89 7.32 0.00 -1.26 -5.11 105.19 109.36 2enh n GLY 7 Ca 0.10 -0.71 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.30 1.54 0.00 2.61 -4.23 -1.26 -5.01 115.64 107.99 2enh s THR 8 Ca 0.00 -1.65 -0.06 0.00 -1.18 0.00 0.00 61.69 58.80 2enh s THR 8 Cb 0.00 -2.04 -0.26 0.00 1.34 0.00 0.00 72.50 71.54 2enh s THR 8 CO 0.00 -0.47 3.50 0.61 -0.54 0.00 0.00 174.62 177.72 2enh n GLY 9 N 4.60 2.92 0.13 3.99 0.00 -1.26 -4.32 105.19 111.25 2enh n GLY 9 Ca -0.03 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.83 2enh n GLY 9 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2enh h GLU 10 N 3.10 0.00 -6.47 1.61 4.11 -1.98 -3.44 114.58 111.51 2enh h GLU 10 Ca 0.18 0.00 -0.69 0.00 0.07 0.00 0.00 59.36 58.92 2enh h GLU 10 Cb 1.46 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 30.45 2enh h GLU 10 CO 0.24 0.61 -0.82 0.15 0.07 0.00 0.00 179.01 179.26 2enh s LYS 11 N -3.08 2.29 0.45 1.06 3.01 -1.26 -5.02 119.74 117.18 2enh s LYS 11 Ca 0.02 -0.82 0.24 0.00 -1.01 0.00 0.00 55.97 54.39 2enh s LYS 11 Cb 0.09 -2.22 1.01 0.00 -1.01 0.00 0.00 37.83 35.70 2enh s LYS 11 CO 0.75 0.59 1.87 -1.00 0.51 0.00 0.00 175.35 178.07 2enh h PRO 12 N 5.29 0.00 -5.76 -1.68 0.13 -1.86 -3.43 132.00 124.69 2enh h PRO 12 Ca -0.45 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.01 2enh h PRO 12 Cb 1.14 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.19 2enh h PRO 12 CO 0.49 0.23 -0.51 0.71 -0.23 0.00 0.00 178.00 178.68 2enh s TYR 13 N -3.80 3.49 -0.05 1.56 1.51 -1.26 -5.10 117.35 113.70 2enh s TYR 13 Ca -0.01 0.41 -0.24 0.00 -1.01 0.00 0.00 57.07 56.23 2enh s TYR 13 Cb 0.11 -1.88 0.05 0.00 -0.11 0.00 0.00 41.96 40.14 2enh s TYR 13 CO 0.63 0.66 0.54 -2.00 -1.11 0.00 0.00 175.55 174.28 2enh s GLU 14 N -1.25 0.89 0.00 -0.62 2.12 -1.26 -3.58 118.70 115.00 2enh s GLU 14 Ca 0.18 0.14 -0.30 0.00 0.36 0.00 0.00 54.97 55.35 2enh s GLU 14 Cb -0.12 0.41 -0.04 0.00 0.26 0.00 0.00 34.13 34.64 2enh s GLU 14 CO 0.08 -0.26 1.11 0.00 -0.54 0.00 0.00 175.26 175.65 2enh n ASP 16 N 4.24 2.87 0.00 0.00 8.00 -1.26 -1.02 116.55 129.38 2enh n ASP 16 Ca 0.08 -2.33 0.00 0.00 0.71 0.00 0.00 54.79 53.25 2enh n ASP 16 Cb 0.48 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 41.01 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 0.12 0.00 0.36 2.53 0.31 -1.26 -4.88 118.33 115.51 2enh n VAL 17 Ca 0.12 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.49 2enh n VAL 17 Cb 0.69 -0.80 -0.03 0.00 -0.91 0.00 0.00 33.84 32.79 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 -0.89 -5.64 -3.85 0.00 5.12 -0.19 -4.99 116.66 106.22 2enh n ARG 19 Ca 0.02 0.69 -0.32 0.00 -1.93 0.00 0.00 57.85 56.32 2enh n ARG 19 Cb 0.13 -5.27 -0.04 0.00 -1.16 0.00 0.00 32.46 26.12 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 -5.29 3.49 0.01 5.56 2.20 -1.25 -4.79 119.74 119.68 2enh s LYS 20 Ca 0.09 -0.31 -0.08 0.00 -0.36 0.00 0.00 55.97 55.31 2enh s LYS 20 Cb -0.04 -3.01 -0.05 0.00 -1.51 0.00 0.00 37.83 33.22 2enh s LYS 20 CO 0.60 0.59 0.29 0.00 -0.36 0.00 0.00 175.35 176.48 2enh s ALA 21 N -1.49 3.82 -0.03 3.13 0.00 -1.26 -1.54 121.76 124.38 2enh s ALA 21 Ca 0.34 -0.52 0.02 0.00 0.00 0.00 0.00 51.96 51.80 2enh s ALA 21 Cb -0.13 -2.12 0.01 0.00 0.00 0.00 0.00 23.12 20.88 2enh s ALA 21 CO 0.25 0.62 -0.05 -0.06 0.00 0.00 0.00 175.76 176.51 2enh s PHE 22 N -1.29 0.70 0.29 0.00 0.40 -1.24 -5.02 117.98 111.82 2enh s PHE 22 Ca 0.27 -0.17 0.03 0.00 -0.60 0.00 0.00 56.93 56.47 2enh s PHE 22 Cb -0.13 -0.56 0.63 0.00 0.51 0.00 0.00 43.02 43.46 2enh s PHE 22 CO 0.16 -0.12 1.81 0.77 0.70 0.00 0.00 175.22 178.54 2enh h SER 23 N 6.70 0.88 -4.68 1.36 0.02 -1.98 -3.42 113.55 112.43 2enh h SER 23 Ca -0.35 0.07 -0.44 0.00 -0.84 0.00 0.00 61.79 60.23 2enh h SER 23 Cb 1.17 -0.10 -0.14 0.00 0.14 0.00 0.00 62.40 63.47 2enh h SER 23 CO 0.49 0.41 -0.54 -1.38 -1.14 0.00 0.00 176.83 174.66 2enh s HIS 24 N -5.92 1.64 -0.03 3.45 0.00 -1.26 -4.99 115.29 108.19 2enh s HIS 24 Ca -0.12 -1.40 -0.22 0.00 -3.00 0.00 0.00 55.06 50.32 2enh s HIS 24 Cb 0.23 -0.88 -0.16 0.00 -4.00 0.00 0.00 32.58 27.78 2enh s HIS 24 CO 0.81 -0.54 1.01 1.12 -1.00 0.00 0.00 174.74 176.14 2enh h HIS 25 N 2.15 -0.28 -1.26 0.38 -0.00 -1.99 -3.17 115.15 110.98 2enh h HIS 25 Ca -0.33 -0.01 0.41 0.00 -0.00 0.00 0.00 60.37 60.45 2enh h HIS 25 Cb 1.25 0.09 -0.13 0.00 -0.00 0.00 0.00 27.41 28.62 2enh h HIS 25 CO 1.18 0.11 0.81 0.00 -0.00 0.00 0.00 177.93 180.03 2enh h ALA 26 N -0.28 2.62 -0.31 6.11 0.00 -1.98 1.47 119.26 126.89 2enh h ALA 26 Ca -0.03 0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 2enh h ALA 26 Cb 0.51 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2enh h ALA 26 CO 0.05 -1.24 -0.24 0.77 0.00 0.00 0.00 179.25 178.60 2enh h SER 27 N 0.12 0.61 0.00 0.00 0.02 -1.96 -2.66 113.55 109.69 2enh h SER 27 Ca 0.79 -0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 61.50 2enh h SER 27 Cb 2.41 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 64.78 2enh h SER 27 CO -0.43 0.83 -0.22 0.25 -1.14 0.00 0.00 176.83 176.13 2enh h LEU 28 N 0.53 0.00 -1.29 5.07 5.85 0.18 -2.81 115.31 122.84 2enh h LEU 28 Ca 0.08 -0.67 0.31 0.00 0.84 0.00 0.00 57.88 58.44 2enh h LEU 28 Cb 0.69 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 41.61 2enh h LEU 28 CO 0.05 0.96 0.69 0.00 -0.34 0.00 0.00 178.44 179.80 2enh h THR 29 N -1.00 0.39 0.04 1.05 1.03 -0.47 0.21 112.91 114.17 2enh h THR 29 Ca -0.05 -0.11 -0.00 0.00 -0.01 0.00 0.00 66.41 66.23 2enh h THR 29 Cb 0.81 0.04 0.00 0.00 -1.07 0.00 0.00 68.15 67.94 2enh h THR 29 CO -0.03 0.06 -0.02 -0.61 -0.01 0.00 0.00 175.52 174.91 2enh h GLN 30 N 0.32 -0.05 -0.40 0.00 4.15 -1.59 -3.35 115.11 114.20 2enh h GLN 30 Ca 0.67 0.00 0.08 0.00 0.77 0.00 0.00 58.65 60.18 2enh h GLN 30 Cb 1.77 0.01 -0.08 0.00 0.21 0.00 0.00 27.48 29.40 2enh h GLN 30 CO -0.39 0.60 -0.09 1.25 -1.93 0.00 0.00 178.83 178.28 2enh h HIS 31 N -0.90 -0.19 -0.74 3.99 2.76 -0.91 -1.83 115.15 117.34 2enh h HIS 31 Ca -0.01 0.04 0.21 0.00 -2.20 0.00 0.00 60.37 58.41 2enh h HIS 31 Cb 0.67 0.15 -0.14 0.00 1.55 0.00 0.00 27.41 29.64 2enh h HIS 31 CO 0.17 -0.16 0.03 1.04 -1.30 0.00 0.00 177.93 177.71 2enh n GLN 32 N -5.29 -0.06 -0.34 5.26 1.13 0.62 0.11 117.38 118.81 2enh n GLN 32 Ca 0.02 1.10 0.08 0.00 -1.94 0.00 0.00 57.00 56.26 2enh n GLN 32 Cb 0.22 -1.75 0.18 0.00 0.11 0.00 0.00 30.24 29.00 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 0.01 -0.83 -1.09 -0.00 -1.48 0.33 114.38 111.32 2enh h ARG 33 Ca 0.46 -0.00 0.31 0.00 -0.50 0.00 0.00 59.98 60.25 2enh h ARG 33 Cb 0.96 -0.00 -0.11 0.00 0.00 0.00 0.00 29.97 30.81 2enh h ARG 33 CO -0.69 0.01 0.50 1.33 0.00 0.00 0.00 179.97 181.12 2enh n VAL 34 N -5.55 -0.23 -3.25 2.04 0.24 0.30 -3.96 118.33 107.91 2enh n VAL 34 Ca 0.18 1.33 -0.38 0.00 -2.04 0.00 0.00 64.34 63.42 2enh n VAL 34 Cb 0.57 -2.17 -0.06 0.00 -1.47 0.00 0.00 33.84 30.72 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 -4.89 3.53 0.00 6.34 3.76 0.12 -4.94 115.29 119.21 2enh s HIS 35 Ca -0.06 0.98 0.00 0.00 -0.15 0.00 0.00 55.06 55.84 2enh s HIS 35 Cb 0.22 -2.61 0.00 0.00 1.11 0.00 0.00 32.58 31.30 2enh s HIS 35 CO 0.56 0.15 0.00 0.45 -0.85 0.00 0.00 174.74 175.05 2enh n SER 36 N 3.68 0.17 0.00 1.40 2.88 -1.25 -5.02 113.62 115.48 2enh n SER 36 Ca -0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 2enh n SER 36 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 2enh n SER 36 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2enh n GLY 37 N 2.89 3.42 3.59 0.46 0.00 -1.26 -5.11 105.19 109.17 2enh n GLY 37 Ca 0.00 -0.75 -0.29 0.00 0.00 0.00 0.00 46.02 44.98 2enh n GLY 37 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2enh s GLU 38 N 0.00 -0.62 -1.57 1.61 -6.30 -1.26 -3.80 118.70 106.76 2enh s GLU 38 Ca 0.00 0.36 -0.02 0.00 -2.50 0.00 0.00 54.97 52.81 2enh s GLU 38 Cb 0.00 -1.63 0.02 0.00 0.00 0.00 0.00 34.13 32.52 2enh s GLU 38 CO 0.00 -3.40 0.05 0.36 0.02 0.00 0.00 175.26 172.29 2enh n LYS 39 N -4.61 -0.96 -2.05 4.30 0.00 -1.26 -4.75 118.16 108.82 2enh n LYS 39 Ca 0.07 0.10 -0.27 0.00 -0.00 0.00 0.00 58.31 58.21 2enh n LYS 39 Cb 0.58 -3.68 -0.05 0.00 -0.00 0.00 0.00 35.03 31.87 2enh n LYS 39 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2enh s PRO 40 N -7.37 2.54 -0.36 -1.58 0.04 -1.25 -4.92 135.00 122.09 2enh s PRO 40 Ca 0.06 -0.56 -0.09 0.00 0.04 0.00 0.00 61.00 60.45 2enh s PRO 40 Cb -0.04 -5.12 0.03 0.00 0.04 0.00 0.00 34.50 29.42 2enh s PRO 40 CO 1.00 -3.57 0.18 -1.54 0.04 0.00 0.00 177.00 173.11 2enh s SER 41 N 7.56 5.60 0.47 6.66 1.04 -1.26 -5.09 113.70 128.68 2enh s SER 41 Ca 0.70 -1.07 -0.19 0.00 0.48 0.00 0.00 55.95 55.87 2enh s SER 41 Cb -0.05 -1.97 -0.09 0.00 0.10 0.00 0.00 66.02 64.01 2enh s SER 41 CO 0.04 -0.37 0.98 -0.83 0.98 0.00 0.00 173.24 174.03 2enh s GLY 42 N 1.52 2.28 0.00 7.32 0.00 -1.26 -4.93 107.32 112.25 2enh s GLY 42 Ca 0.01 0.35 0.13 0.00 0.00 0.00 0.00 44.72 45.20 2enh s GLY 42 CO 0.05 0.63 1.19 -1.55 0.00 0.00 0.00 173.10 173.42 2enh n PRO 43 N -1.06 0.49 -1.00 2.90 -0.04 -1.26 -4.86 135.00 130.17 2enh n PRO 43 Ca 0.07 0.00 -0.46 0.00 -0.04 0.00 0.00 63.50 63.07 2enh n PRO 43 Cb 0.54 -1.41 -0.09 0.00 -0.04 0.00 0.00 33.50 32.50 2enh n PRO 43 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2enh n SER 44 N -0.91 0.61 -4.78 3.54 7.64 -1.26 -4.79 113.62 113.68 2enh n SER 44 Ca 0.10 0.57 -0.41 0.00 1.01 0.00 0.00 58.87 60.13 2enh n SER 44 Cb 0.04 -0.67 -0.01 0.00 -1.01 0.00 0.00 64.21 62.56 2enh n SER 44 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2enh s SER 45 N 4.18 6.41 0.00 6.43 0.15 -1.26 -5.26 113.70 124.34 2enh s SER 45 Ca 0.89 2.99 0.02 0.00 0.70 0.00 0.00 55.95 60.54 2enh s SER 45 Cb -1.13 -2.66 0.01 0.00 -1.71 0.00 0.00 66.02 60.53 2enh s SER 45 CO 0.51 -0.83 0.56 0.61 1.20 0.00 0.00 173.24 175.30