#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 2.00 -0.03 1.61 0.15 -1.26 -5.13 113.70 111.04 2enh s SER 2 Ca 0.00 -0.38 0.01 0.00 0.70 0.00 0.00 55.95 56.28 2enh s SER 2 Cb 0.00 -0.30 0.02 0.00 -1.71 0.00 0.00 66.02 64.02 2enh s SER 2 CO 0.00 -0.29 -0.04 -0.94 1.20 0.00 0.00 173.24 173.17 2enh s SER 3 N 2.08 0.71 -0.91 5.45 1.04 -1.26 -5.05 113.70 115.75 2enh s SER 3 Ca 0.03 -0.09 -0.05 0.00 0.48 0.00 0.00 55.95 56.32 2enh s SER 3 Cb -0.15 -0.28 0.07 0.00 0.10 0.00 0.00 66.02 65.76 2enh s SER 3 CO -0.07 -0.03 2.62 0.61 0.98 0.00 0.00 173.24 177.35 2enh n GLY 4 N 3.75 4.73 0.77 7.32 0.00 -1.26 -4.29 105.19 116.21 2enh n GLY 4 Ca -0.23 -1.93 -0.07 0.00 0.00 0.00 0.00 46.02 43.79 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 1.45 0.68 -3.83 1.61 2.88 -1.26 -5.09 113.62 110.05 2enh n SER 5 Ca 0.56 0.11 -0.09 0.00 -1.33 0.00 0.00 58.87 58.12 2enh n SER 5 Cb 0.40 -0.26 -0.07 0.00 -0.75 0.00 0.00 64.21 63.53 2enh n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2enh s SER 6 N -5.74 0.06 -1.12 -3.46 0.01 -1.26 -4.93 113.70 97.26 2enh s SER 6 Ca -0.10 -0.57 -0.03 0.00 1.31 0.00 0.00 55.95 56.56 2enh s SER 6 Cb 0.04 0.35 0.00 0.00 0.21 0.00 0.00 66.02 66.62 2enh s SER 6 CO 0.13 -0.72 0.95 0.61 0.41 0.00 0.00 173.24 174.62 2enh n GLY 7 N 0.02 -0.31 3.21 3.44 0.00 -1.26 -4.95 105.19 105.34 2enh n GLY 7 Ca -0.16 0.08 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 2enh n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2enh s THR 8 N -3.31 -0.24 -1.51 2.61 2.01 -1.26 -4.93 115.64 109.01 2enh s THR 8 Ca 0.20 0.14 -0.01 0.00 0.31 0.00 0.00 61.69 62.34 2enh s THR 8 Cb -0.09 -0.57 0.00 0.00 0.01 0.00 0.00 72.50 71.85 2enh s THR 8 CO 0.65 0.06 0.15 0.61 -0.69 0.00 0.00 174.62 175.39 2enh n GLY 9 N 4.69 -0.16 3.53 4.40 0.00 -1.26 -4.90 105.19 111.49 2enh n GLY 9 Ca -0.18 0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2enh n GLY 9 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2enh s GLU 10 N -7.12 -0.86 -0.60 1.61 2.12 -1.26 -4.98 118.70 107.60 2enh s GLU 10 Ca 0.02 0.57 0.04 0.00 0.36 0.00 0.00 54.97 55.96 2enh s GLU 10 Cb -0.01 -1.58 0.37 0.00 0.26 0.00 0.00 34.13 33.16 2enh s GLU 10 CO 0.96 -3.62 1.20 0.36 -0.54 0.00 0.00 175.26 173.62 2enh n LYS 11 N -4.80 3.52 0.00 4.30 2.85 -1.26 -4.82 118.16 117.94 2enh n LYS 11 Ca 0.05 -4.60 0.06 0.00 -1.05 0.00 0.00 58.31 52.76 2enh n LYS 11 Cb 0.56 -2.27 0.33 0.00 -0.65 0.00 0.00 35.03 33.00 2enh n LYS 11 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 2enh n PRO 12 N -0.33 0.49 -3.74 -1.58 -0.04 -1.26 -4.54 135.00 123.99 2enh n PRO 12 Ca 0.38 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.46 2enh n PRO 12 Cb 0.46 -1.36 -0.12 0.00 -0.04 0.00 0.00 33.50 32.43 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 -2.00 3.21 0.05 0.54 2.02 -1.26 -5.08 117.35 114.83 2enh s TYR 13 Ca 0.17 -1.22 0.06 0.00 -0.37 0.00 0.00 57.07 55.71 2enh s TYR 13 Cb 0.08 -2.28 -0.02 0.00 -0.40 0.00 0.00 41.96 39.33 2enh s TYR 13 CO 0.13 -0.67 -0.16 -2.00 -1.57 0.00 0.00 175.55 171.28 2enh s GLU 14 N 1.45 1.01 -0.01 -0.62 2.12 -1.26 -2.57 118.70 118.83 2enh s GLU 14 Ca 0.00 -0.86 -0.27 0.00 0.36 0.00 0.00 54.97 54.21 2enh s GLU 14 Cb -0.19 -1.07 -0.04 0.00 0.26 0.00 0.00 34.13 33.10 2enh s GLU 14 CO 0.03 0.26 0.84 0.00 -0.54 0.00 0.00 175.26 175.85 2enh n ASP 16 N 3.59 2.74 0.00 0.00 9.92 -1.26 -0.89 116.55 130.65 2enh n ASP 16 Ca 0.02 -2.34 0.00 0.00 -0.53 0.00 0.00 54.79 51.94 2enh n ASP 16 Cb 0.51 -0.57 0.00 0.00 -0.64 0.00 0.00 41.12 40.42 2enh n ASP 16 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 2enh n VAL 17 N 0.23 0.00 0.14 2.53 0.31 -1.26 -4.84 118.33 115.44 2enh n VAL 17 Ca 0.10 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.45 2enh n VAL 17 Cb 0.60 -0.86 -0.00 0.00 -0.91 0.00 0.00 33.84 32.66 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 -0.59 -6.65 -2.85 0.00 3.00 -0.07 -4.99 116.66 104.52 2enh n ARG 19 Ca 0.01 0.78 -0.20 0.00 -0.01 0.00 0.00 57.85 58.43 2enh n ARG 19 Cb 0.06 -5.64 0.06 0.00 0.00 0.00 0.00 32.46 26.94 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 -5.63 2.32 -0.04 5.56 1.02 -1.25 -4.78 119.74 116.94 2enh s LYS 20 Ca 0.21 -1.26 0.05 0.00 0.02 0.00 0.00 55.97 54.99 2enh s LYS 20 Cb -0.09 -2.57 -0.01 0.00 -0.52 0.00 0.00 37.83 34.64 2enh s LYS 20 CO 0.68 -0.83 -0.18 0.00 -0.92 0.00 0.00 175.35 174.09 2enh s ALA 21 N -2.72 1.58 -0.17 5.17 0.00 -1.26 -1.97 121.76 122.38 2enh s ALA 21 Ca 0.60 -0.75 -0.01 0.00 0.00 0.00 0.00 51.96 51.80 2enh s ALA 21 Cb -0.07 -0.48 0.05 0.00 0.00 0.00 0.00 23.12 22.61 2enh s ALA 21 CO 0.39 0.32 -0.03 -0.06 0.00 0.00 0.00 175.76 176.38 2enh s PHE 22 N -0.12 1.49 0.25 0.00 0.40 -1.06 -5.02 117.98 113.90 2enh s PHE 22 Ca -0.00 -0.98 -0.13 0.00 -0.60 0.00 0.00 56.93 55.22 2enh s PHE 22 Cb -0.10 -1.21 0.33 0.00 0.51 0.00 0.00 43.02 42.55 2enh s PHE 22 CO 0.01 -0.59 1.57 0.66 0.70 0.00 0.00 175.22 177.57 2enh h SER 23 N 8.16 -1.05 -1.91 1.36 4.64 -1.88 -3.41 113.55 119.46 2enh h SER 23 Ca -0.22 0.28 -0.44 0.00 -0.47 0.00 0.00 61.79 60.94 2enh h SER 23 Cb 1.11 0.62 0.01 0.00 -0.31 0.00 0.00 62.40 63.83 2enh h SER 23 CO 0.37 -0.30 -0.33 -2.28 -0.87 0.00 0.00 176.83 173.42 2enh s HIS 24 N -6.14 3.16 -0.10 4.77 5.65 -1.26 -4.83 115.29 116.53 2enh s HIS 24 Ca -0.14 -0.16 -0.26 0.00 0.25 0.00 0.00 55.06 54.74 2enh s HIS 24 Cb 0.23 -1.97 -0.22 0.00 -1.18 0.00 0.00 32.58 29.44 2enh s HIS 24 CO 0.75 0.01 0.83 1.25 -0.65 0.00 0.00 174.74 176.93 2enh h HIS 25 N 0.89 -0.02 -1.01 3.88 2.76 -1.99 -3.31 115.15 116.35 2enh h HIS 25 Ca -0.46 -0.00 0.23 0.00 -2.20 0.00 0.00 60.37 57.93 2enh h HIS 25 Cb 1.25 0.01 -0.12 0.00 1.55 0.00 0.00 27.41 30.10 2enh h HIS 25 CO 0.43 0.74 0.61 0.00 -1.30 0.00 0.00 177.93 178.41 2enh h ALA 26 N 0.01 1.80 -0.23 5.26 0.00 -1.96 0.54 119.26 124.67 2enh h ALA 26 Ca -0.00 0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.08 2enh h ALA 26 Cb 0.78 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2enh h ALA 26 CO 0.00 -0.23 0.20 0.77 0.00 0.00 0.00 179.25 179.99 2enh h SER 27 N 0.62 0.00 0.00 0.00 0.02 -1.94 -1.37 113.55 110.88 2enh h SER 27 Ca 0.62 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.47 2enh h SER 27 Cb 1.15 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.67 2enh h SER 27 CO -0.43 0.00 -0.65 0.25 -1.14 0.00 0.00 176.83 174.86 2enh h LEU 28 N 0.00 0.00 -1.92 5.07 5.85 -0.06 -2.66 115.31 121.60 2enh h LEU 28 Ca 0.11 -0.50 0.15 0.00 0.84 0.00 0.00 57.88 58.48 2enh h LEU 28 Cb 0.50 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 2enh h LEU 28 CO -0.00 1.12 0.52 0.00 -0.34 0.00 0.00 178.44 179.74 2enh h THR 29 N -1.00 0.37 0.00 1.05 1.03 -1.02 -1.14 112.91 112.21 2enh h THR 29 Ca -0.16 0.00 -0.18 0.00 -0.01 0.00 0.00 66.41 66.07 2enh h THR 29 Cb 0.94 0.59 -0.03 0.00 -1.07 0.00 0.00 68.15 68.59 2enh h THR 29 CO -0.10 0.00 -0.99 1.56 -0.01 0.00 0.00 175.52 175.99 2enh h GLN 30 N 0.00 0.00 -0.81 0.00 4.20 -1.39 -3.38 115.11 113.73 2enh h GLN 30 Ca 0.24 0.00 0.18 0.00 0.06 0.00 0.00 58.65 59.14 2enh h GLN 30 Cb 1.28 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 28.95 2enh h GLN 30 CO -0.00 0.93 0.28 1.25 -0.67 0.00 0.00 178.83 180.62 2enh h HIS 31 N -1.00 0.46 -1.39 2.96 2.76 -0.96 0.73 115.15 118.72 2enh h HIS 31 Ca -0.27 0.04 0.40 0.00 -2.20 0.00 0.00 60.37 58.35 2enh h HIS 31 Cb 1.19 -0.08 -0.06 0.00 1.55 0.00 0.00 27.41 30.01 2enh h HIS 31 CO 0.11 -0.05 1.20 1.04 -1.30 0.00 0.00 177.93 178.93 2enh n GLN 32 N -5.09 0.01 -0.12 5.26 6.02 -0.51 0.66 117.38 123.61 2enh n GLN 32 Ca 0.18 0.95 -0.05 0.00 -0.01 0.00 0.00 57.00 58.06 2enh n GLN 32 Cb 0.54 -2.26 0.02 0.00 1.02 0.00 0.00 30.24 29.56 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 0.06 -1.48 -1.09 3.08 -1.09 -0.07 114.38 113.79 2enh h ARG 33 Ca 0.66 -0.00 0.43 0.00 0.07 0.00 0.00 59.98 61.13 2enh h ARG 33 Cb 3.05 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 33.03 2enh h ARG 33 CO -0.01 0.04 1.19 -0.39 -1.07 0.00 0.00 179.97 179.74 2enh h VAL 34 N 0.06 0.11 -3.38 2.04 -1.51 0.02 -3.30 116.25 110.29 2enh h VAL 34 Ca 0.19 0.00 -0.69 0.00 -1.23 0.00 0.00 66.70 64.97 2enh h VAL 34 Cb 0.28 0.13 -0.18 0.00 -2.13 0.00 0.00 31.29 29.39 2enh h VAL 34 CO -0.36 0.00 -0.06 -1.00 -1.23 0.00 0.00 177.57 174.92 2enh s HIS 35 N -4.76 3.11 -0.34 5.19 3.76 -0.04 -5.04 115.29 117.17 2enh s HIS 35 Ca -0.04 -0.49 -0.18 0.00 -0.15 0.00 0.00 55.06 54.20 2enh s HIS 35 Cb 0.22 -3.29 -0.01 0.00 1.11 0.00 0.00 32.58 30.61 2enh s HIS 35 CO 0.75 -0.89 0.50 -1.54 -0.85 0.00 0.00 174.74 172.70 2enh s SER 36 N 2.35 6.31 0.56 1.40 1.04 -1.25 -5.00 113.70 119.11 2enh s SER 36 Ca 0.14 -0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.57 2enh s SER 36 Cb -0.19 -2.26 0.00 0.00 0.10 0.00 0.00 66.02 63.67 2enh s SER 36 CO 0.12 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.50 2enh n GLY 37 N 4.78 -1.47 1.86 7.32 0.00 -1.26 -4.88 105.19 111.53 2enh n GLY 37 Ca -0.05 -1.57 -0.12 0.00 0.00 0.00 0.00 46.02 44.28 2enh n GLY 37 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2enh n GLU 38 N -0.66 1.64 -3.96 1.61 0.00 -1.26 -4.89 120.64 113.12 2enh n GLU 38 Ca 0.00 -1.08 -0.36 0.00 0.00 0.00 0.00 57.16 55.71 2enh n GLU 38 Cb 0.00 -1.53 -0.07 0.00 0.00 0.00 0.00 31.44 29.84 2enh n GLU 38 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 2enh s LYS 39 N -0.86 3.43 0.05 3.44 2.47 -1.26 -5.02 119.74 121.99 2enh s LYS 39 Ca 0.29 -0.19 -0.19 0.00 -1.56 0.00 0.00 55.97 54.32 2enh s LYS 39 Cb 0.19 -3.14 -0.13 0.00 -1.46 0.00 0.00 37.83 33.29 2enh s LYS 39 CO -0.03 0.72 1.36 -1.00 0.16 0.00 0.00 175.35 176.56 2enh h PRO 40 N 5.17 0.41 -6.58 4.03 0.13 -2.04 -3.43 132.00 129.69 2enh h PRO 40 Ca -0.53 -0.22 -0.52 0.00 -0.87 0.00 0.00 66.00 63.87 2enh h PRO 40 Cb 1.22 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 2enh h PRO 40 CO 0.59 0.78 0.43 -1.54 -0.23 0.00 0.00 178.00 178.02 2enh s SER 41 N -6.19 7.36 0.20 1.44 1.04 -1.26 -5.01 113.70 111.28 2enh s SER 41 Ca -0.14 1.92 -0.20 0.00 0.48 0.00 0.00 55.95 58.01 2enh s SER 41 Cb 0.06 -2.59 0.07 0.00 0.10 0.00 0.00 66.02 63.66 2enh s SER 41 CO 0.77 -0.18 0.95 0.61 0.98 0.00 0.00 173.24 176.36 2enh n GLY 42 N 2.33 0.69 3.57 7.32 0.00 -1.26 -5.08 105.19 112.76 2enh n GLY 42 Ca 0.03 -1.15 -0.27 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.05 2.53 -0.99 1.61 0.04 -1.26 -4.90 135.00 129.98 2enh s PRO 43 Ca 0.21 -0.68 -0.24 0.00 0.04 0.00 0.00 61.00 60.33 2enh s PRO 43 Cb -0.03 -5.14 -0.01 0.00 0.04 0.00 0.00 34.50 29.35 2enh s PRO 43 CO 0.06 -3.65 1.77 0.45 0.04 0.00 0.00 177.00 175.67 2enh s SER 44 N 7.35 5.67 -0.30 6.66 0.15 -1.26 -4.80 113.70 127.17 2enh s SER 44 Ca 0.69 -1.10 -0.11 0.00 0.70 0.00 0.00 55.95 56.12 2enh s SER 44 Cb -0.04 -2.57 0.18 0.00 -1.71 0.00 0.00 66.02 61.88 2enh s SER 44 CO 0.05 -2.29 0.98 -0.55 1.20 0.00 0.00 173.24 172.64 2enh s SER 45 N 6.70 -0.60 0.00 5.45 0.15 -1.26 -5.33 113.70 118.82 2enh s SER 45 Ca 0.61 0.39 0.00 0.00 0.70 0.00 0.00 55.95 57.65 2enh s SER 45 Cb -0.03 1.51 0.00 0.00 -1.71 0.00 0.00 66.02 65.78 2enh s SER 45 CO -0.02 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 174.92