#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2enh n SER 2 N 0.00 -2.13 -4.89 1.61 2.88 -1.26 -5.00 113.62 104.83 2enh n SER 2 Ca 0.00 -0.22 -0.29 0.00 -1.33 0.00 0.00 58.87 57.03 2enh n SER 2 Cb 0.00 -1.15 0.06 0.00 -0.75 0.00 0.00 64.21 62.37 2enh n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2enh s SER 3 N -2.24 5.07 0.95 -3.46 1.04 -1.26 -5.07 113.70 108.72 2enh s SER 3 Ca 0.65 0.95 -0.15 0.00 0.48 0.00 0.00 55.95 57.89 2enh s SER 3 Cb -0.22 -1.64 0.17 0.00 0.10 0.00 0.00 66.02 64.44 2enh s SER 3 CO 0.66 -1.56 1.23 -0.83 0.98 0.00 0.00 173.24 173.72 2enh s GLY 4 N -4.45 1.67 -0.12 7.32 0.00 -1.26 -5.07 107.32 105.42 2enh s GLY 4 Ca 0.60 -0.91 -0.02 0.00 0.00 0.00 0.00 44.72 44.39 2enh s GLY 4 CO 0.50 -0.23 -0.05 -0.56 0.00 0.00 0.00 173.10 172.76 2enh s SER 5 N -4.53 4.74 0.12 1.64 0.01 -1.26 -5.03 113.70 109.39 2enh s SER 5 Ca 0.69 -0.09 -0.26 0.00 1.31 0.00 0.00 55.95 57.60 2enh s SER 5 Cb -0.08 -1.56 -0.07 0.00 0.21 0.00 0.00 66.02 64.52 2enh s SER 5 CO 0.52 0.25 1.64 0.28 0.41 0.00 0.00 173.24 176.34 2enh h SER 6 N 6.12 -0.73 0.00 2.44 0.02 -2.07 -3.15 113.55 116.19 2enh h SER 6 Ca -0.38 0.09 -0.66 0.00 -0.84 0.00 0.00 61.79 60.00 2enh h SER 6 Cb 1.19 0.29 -0.00 0.00 0.14 0.00 0.00 62.40 64.01 2enh h SER 6 CO 0.58 -0.33 3.09 0.61 -1.14 0.00 0.00 176.83 179.64 2enh n GLY 7 N -1.37 3.93 0.08 -3.77 0.00 -1.26 -4.34 105.19 98.45 2enh n GLY 7 Ca -0.06 -1.45 -0.07 0.00 0.00 0.00 0.00 46.02 44.45 2enh n GLY 7 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2enh n THR 8 N 4.89 1.09 0.00 2.61 5.66 -1.19 -4.97 114.28 122.36 2enh n THR 8 Ca 0.56 -0.73 0.00 0.00 -3.05 0.00 0.00 64.05 60.84 2enh n THR 8 Cb 0.34 -0.44 0.00 0.00 -1.55 0.00 0.00 70.33 68.67 2enh n THR 8 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2enh n GLY 9 N 1.82 0.00 3.64 1.09 0.00 -1.26 -5.12 105.19 105.37 2enh n GLY 9 Ca -0.26 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 2enh n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2enh s GLU 10 N 0.00 3.95 0.04 1.61 2.02 -1.26 -4.82 118.70 120.24 2enh s GLU 10 Ca 0.00 1.96 -0.03 0.00 0.02 0.00 0.00 54.97 56.92 2enh s GLU 10 Cb 0.00 -4.03 -0.02 0.00 0.10 0.00 0.00 34.13 30.17 2enh s GLU 10 CO 0.00 -1.12 0.03 0.15 0.02 0.00 0.00 175.26 174.34 2enh s LYS 11 N 4.46 0.56 0.10 1.61 1.02 -1.26 -5.03 119.74 121.20 2enh s LYS 11 Ca 0.74 -0.91 0.18 0.00 0.02 0.00 0.00 55.97 56.01 2enh s LYS 11 Cb -0.30 0.21 0.76 0.00 -0.52 0.00 0.00 37.83 37.98 2enh s LYS 11 CO 0.30 -0.12 1.56 -0.35 -0.92 0.00 0.00 175.35 175.82 2enh n PRO 12 N 0.65 0.08 -3.67 -1.68 -0.04 -1.26 -4.43 135.00 124.64 2enh n PRO 12 Ca -0.18 0.32 -0.39 0.00 -0.04 0.00 0.00 63.50 63.22 2enh n PRO 12 Cb 0.59 -1.65 -0.11 0.00 -0.04 0.00 0.00 33.50 32.29 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 -3.13 3.39 -0.04 0.54 2.02 -1.26 -5.06 117.35 113.80 2enh s TYR 13 Ca 0.06 -1.77 0.01 0.00 -0.37 0.00 0.00 57.07 55.00 2enh s TYR 13 Cb 0.09 -2.94 0.02 0.00 -0.40 0.00 0.00 41.96 38.74 2enh s TYR 13 CO 0.31 -0.87 -0.05 -2.00 -1.57 0.00 0.00 175.55 171.37 2enh s GLU 14 N 1.34 0.87 1.22 -0.62 2.56 -1.26 -2.19 118.70 120.63 2enh s GLU 14 Ca 0.03 -0.13 -0.15 0.00 0.00 0.00 0.00 54.97 54.72 2enh s GLU 14 Cb -0.23 -0.85 0.30 0.00 2.00 0.00 0.00 34.13 35.35 2enh s GLU 14 CO 0.00 -0.06 1.01 0.00 -0.56 0.00 0.00 175.26 175.65 2enh n ASP 16 N -5.04 2.47 0.10 0.00 8.00 -1.26 -3.74 116.55 117.08 2enh n ASP 16 Ca 0.05 -0.03 -0.04 0.00 0.71 0.00 0.00 54.79 55.48 2enh n ASP 16 Cb 0.56 -0.29 -0.02 0.00 -0.02 0.00 0.00 41.12 41.35 2enh n ASP 16 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2enh h VAL 17 N -0.12 0.00 0.00 2.53 2.07 -2.00 -3.36 116.25 115.37 2enh h VAL 17 Ca -0.36 -0.25 -0.12 0.00 0.82 0.00 0.00 66.70 66.79 2enh h VAL 17 Cb 1.50 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 2enh h VAL 17 CO -0.09 0.00 -0.76 0.00 0.02 0.00 0.00 177.57 176.74 2enh n ARG 19 N -3.13 -4.98 -3.73 0.00 5.12 -1.25 -5.00 116.66 103.70 2enh n ARG 19 Ca -0.01 0.59 -0.26 0.00 -1.93 0.00 0.00 57.85 56.25 2enh n ARG 19 Cb 0.76 -4.88 -0.03 0.00 -1.16 0.00 0.00 32.46 27.16 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 -5.26 3.49 0.00 5.56 2.20 -1.26 -4.68 119.74 119.78 2enh s LYS 20 Ca 0.13 -0.45 -0.02 0.00 -0.36 0.00 0.00 55.97 55.27 2enh s LYS 20 Cb -0.06 -2.84 -0.04 0.00 -1.51 0.00 0.00 37.83 33.38 2enh s LYS 20 CO 0.51 0.39 0.16 0.00 -0.36 0.00 0.00 175.35 176.05 2enh s ALA 21 N -1.94 3.88 0.05 3.13 0.00 -1.26 -0.95 121.76 124.67 2enh s ALA 21 Ca 0.37 -0.80 -0.01 0.00 0.00 0.00 0.00 51.96 51.52 2enh s ALA 21 Cb -0.10 -1.80 -0.04 0.00 0.00 0.00 0.00 23.12 21.18 2enh s ALA 21 CO 0.30 0.75 -0.02 -0.06 0.00 0.00 0.00 175.76 176.72 2enh s PHE 22 N -1.32 0.48 -0.04 0.00 0.40 -0.93 -5.03 117.98 111.54 2enh s PHE 22 Ca 0.27 -0.99 -0.10 0.00 -0.60 0.00 0.00 56.93 55.52 2enh s PHE 22 Cb -0.13 -0.36 -0.05 0.00 0.51 0.00 0.00 43.02 43.00 2enh s PHE 22 CO 0.19 -0.37 0.47 1.03 0.70 0.00 0.00 175.22 177.25 2enh h SER 23 N 3.30 -0.29 -3.27 1.36 0.87 -1.99 -3.40 113.55 110.12 2enh h SER 23 Ca -0.34 0.01 -0.67 0.00 -1.23 0.00 0.00 61.79 59.57 2enh h SER 23 Cb 1.15 0.08 -0.13 0.00 -0.44 0.00 0.00 62.40 63.06 2enh h SER 23 CO 0.63 0.04 -0.62 -2.28 -0.53 0.00 0.00 176.83 174.08 2enh s HIS 24 N -2.69 3.16 0.21 2.24 5.65 -1.26 -4.89 115.29 117.71 2enh s HIS 24 Ca -0.05 0.15 -0.19 0.00 0.25 0.00 0.00 55.06 55.22 2enh s HIS 24 Cb 0.01 -1.72 0.18 0.00 -1.18 0.00 0.00 32.58 29.86 2enh s HIS 24 CO 0.15 0.49 1.57 1.12 -0.65 0.00 0.00 174.74 177.42 2enh h HIS 25 N 4.50 -1.02 -0.21 3.88 -0.00 -1.97 -2.06 115.15 118.26 2enh h HIS 25 Ca -0.50 0.09 0.02 0.00 -0.00 0.00 0.00 60.37 59.98 2enh h HIS 25 Cb 1.18 0.56 -0.03 0.00 -0.00 0.00 0.00 27.41 29.13 2enh h HIS 25 CO 0.63 -0.39 -0.13 0.00 -0.00 0.00 0.00 177.93 178.04 2enh n ALA 26 N -3.30 -0.14 -0.29 6.11 0.00 -1.26 0.11 120.51 121.74 2enh n ALA 26 Ca 0.07 0.18 0.12 0.00 0.00 0.00 0.00 53.44 53.82 2enh n ALA 26 Cb 0.38 0.20 0.24 0.00 0.00 0.00 0.00 19.45 20.27 2enh n ALA 26 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2enh n SER 27 N -3.36 -0.11 -0.05 0.00 2.88 -0.78 0.15 113.62 112.36 2enh n SER 27 Ca 0.00 1.44 -0.16 0.00 -1.33 0.00 0.00 58.87 58.83 2enh n SER 27 Cb 0.06 -0.52 -0.07 0.00 -0.75 0.00 0.00 64.21 62.93 2enh n SER 27 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2enh h LEU 28 N 0.00 0.81 0.56 2.46 5.85 0.76 -1.38 115.31 124.36 2enh h LEU 28 Ca 0.51 -0.59 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 2enh h LEU 28 Cb 1.04 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.84 2enh h LEU 28 CO -0.80 1.26 -0.30 0.74 -0.34 0.00 0.00 178.44 179.00 2enh h THR 29 N 0.40 0.39 -0.80 1.05 2.02 0.50 -0.04 112.91 116.42 2enh h THR 29 Ca -0.02 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.12 2enh h THR 29 Cb 1.19 0.39 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 2enh h THR 29 CO 0.12 0.00 0.33 -0.61 0.37 0.00 0.00 175.52 175.73 2enh h GLN 30 N -0.79 1.19 -0.15 6.66 4.15 -0.48 -2.96 115.11 122.73 2enh h GLN 30 Ca -0.07 -0.21 0.02 0.00 0.77 0.00 0.00 58.65 59.16 2enh h GLN 30 Cb 0.62 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 28.10 2enh h GLN 30 CO 0.10 0.96 0.03 1.25 -1.93 0.00 0.00 178.83 179.24 2enh h HIS 31 N 1.16 0.05 -1.00 3.99 2.76 -1.07 -2.37 115.15 118.66 2enh h HIS 31 Ca 0.27 0.01 0.35 0.00 -2.20 0.00 0.00 60.37 58.80 2enh h HIS 31 Cb 0.20 -0.00 -0.10 0.00 1.55 0.00 0.00 27.41 29.06 2enh h HIS 31 CO 0.02 0.02 0.64 1.04 -1.30 0.00 0.00 177.93 178.35 2enh n GLN 32 N -5.08 -0.03 -0.35 5.26 6.02 -0.04 0.02 117.38 123.17 2enh n GLN 32 Ca -0.04 0.92 -0.05 0.00 -0.01 0.00 0.00 57.00 57.82 2enh n GLN 32 Cb 0.07 -1.81 -0.01 0.00 1.02 0.00 0.00 30.24 29.51 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 -0.05 -0.96 -1.09 3.08 -1.55 0.55 114.38 114.37 2enh h ARG 33 Ca 0.64 0.00 0.40 0.00 0.07 0.00 0.00 59.98 61.10 2enh h ARG 33 Cb 2.07 0.01 -0.17 0.00 0.08 0.00 0.00 29.97 31.96 2enh h ARG 33 CO -0.35 -0.03 0.51 1.33 -1.07 0.00 0.00 179.97 180.36 2enh n VAL 34 N -5.41 -0.40 -2.84 2.04 0.24 0.10 -4.13 118.33 107.93 2enh n VAL 34 Ca 0.06 1.94 -0.41 0.00 -2.04 0.00 0.00 64.34 63.89 2enh n VAL 34 Cb 0.36 -3.15 -0.04 0.00 -1.47 0.00 0.00 33.84 29.54 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 -5.46 3.59 -0.12 6.34 3.76 0.19 -4.97 115.29 118.62 2enh s HIS 35 Ca -0.09 1.49 -0.11 0.00 -0.15 0.00 0.00 55.06 56.21 2enh s HIS 35 Cb 0.32 -3.01 -0.09 0.00 1.11 0.00 0.00 32.58 30.91 2enh s HIS 35 CO 0.75 -0.03 0.20 1.03 -0.85 0.00 0.00 174.74 175.84 2enh h SER 36 N 6.88 0.00 0.00 1.40 0.87 -1.81 -3.49 113.55 117.40 2enh h SER 36 Ca -0.39 -0.31 0.00 0.00 -1.23 0.00 0.00 61.79 59.87 2enh h SER 36 Cb 1.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 2enh h SER 36 CO 0.77 0.74 0.00 0.61 -0.53 0.00 0.00 176.83 178.42 2enh n GLY 37 N 1.69 -1.29 2.68 5.77 0.00 -1.26 -5.12 105.19 107.66 2enh n GLY 37 Ca -0.06 0.51 -0.42 0.00 0.00 0.00 0.00 46.02 46.05 2enh n GLY 37 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2enh n GLU 38 N 0.00 0.00 -1.37 1.61 0.00 -1.26 -4.39 120.64 115.23 2enh n GLU 38 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 57.16 56.78 2enh n GLU 38 Cb 0.00 -1.00 -0.14 0.00 0.00 0.00 0.00 31.44 30.30 2enh n GLU 38 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2enh n LYS 39 N 1.00 0.00 -0.03 5.31 4.76 -1.26 -4.77 118.16 123.16 2enh n LYS 39 Ca 0.15 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.46 2enh n LYS 39 Cb 0.12 -1.38 -0.09 0.00 -1.84 0.00 0.00 35.03 31.84 2enh n LYS 39 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 2enh h PRO 40 N 10.99 0.16 -6.87 1.97 0.13 -2.04 -3.47 132.00 132.87 2enh h PRO 40 Ca -0.05 -0.09 -0.57 0.00 -0.87 0.00 0.00 66.00 64.43 2enh h PRO 40 Cb 1.20 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.04 2enh h PRO 40 CO 1.27 0.60 -0.85 -1.13 -0.23 0.00 0.00 178.00 177.66 2enh n SER 41 N -4.72 -0.75 -2.51 1.44 3.41 -1.26 -2.38 113.62 106.85 2enh n SER 41 Ca -0.07 -1.15 -0.06 0.00 -0.26 0.00 0.00 58.87 57.33 2enh n SER 41 Cb 0.30 -1.46 0.01 0.00 -0.26 0.00 0.00 64.21 62.80 2enh n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2enh n GLY 42 N -1.53 -1.15 3.77 5.00 0.00 -1.26 -4.97 105.19 105.05 2enh n GLY 42 Ca -0.04 0.88 -0.40 0.00 0.00 0.00 0.00 46.02 46.46 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 4.41 -0.44 1.61 0.04 -1.00 -4.83 135.00 132.55 2enh s PRO 43 Ca 0.18 2.03 -0.37 0.00 0.04 0.00 0.00 61.00 62.88 2enh s PRO 43 Cb -0.05 -3.05 -0.16 0.00 0.04 0.00 0.00 34.50 31.28 2enh s PRO 43 CO 0.57 -0.08 1.82 0.43 0.04 0.00 0.00 177.00 179.78 2enh n SER 44 N 0.82 0.62 -4.87 6.66 7.64 -1.26 -4.87 113.62 118.35 2enh n SER 44 Ca 0.00 0.56 -0.30 0.00 1.01 0.00 0.00 58.87 60.14 2enh n SER 44 Cb 0.43 -0.76 -0.01 0.00 -1.01 0.00 0.00 64.21 62.86 2enh n SER 44 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2enh s SER 45 N 5.14 6.40 0.00 6.43 1.04 -1.26 -5.29 113.70 126.15 2enh s SER 45 Ca 1.01 1.26 0.00 0.00 0.48 0.00 0.00 55.95 58.71 2enh s SER 45 Cb -1.26 -2.39 0.00 0.00 0.10 0.00 0.00 66.02 62.48 2enh s SER 45 CO 0.55 -0.62 0.00 0.61 0.98 0.00 0.00 173.24 174.76