#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 0.05 -0.65 1.61 1.04 -1.26 -5.04 113.70 109.44 2enh s SER 2 Ca 0.00 0.01 -0.01 0.00 0.48 0.00 0.00 55.95 56.44 2enh s SER 2 Cb 0.00 -0.03 0.43 0.00 0.10 0.00 0.00 66.02 66.52 2enh s SER 2 CO 0.00 -0.05 1.91 -1.20 0.98 0.00 0.00 173.24 174.88 2enh n SER 3 N 3.52 7.27 -3.24 7.02 7.64 -1.26 -4.95 113.62 129.62 2enh n SER 3 Ca -0.18 -3.79 -0.26 0.00 1.01 0.00 0.00 58.87 55.64 2enh n SER 3 Cb 0.56 -0.90 0.02 0.00 -1.01 0.00 0.00 64.21 62.87 2enh n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2enh n GLY 4 N -0.81 -0.39 2.97 0.23 0.00 -1.26 -4.96 105.19 100.96 2enh n GLY 4 Ca 0.58 0.72 -0.10 0.00 0.00 0.00 0.00 46.02 47.22 2enh n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2enh s SER 5 N -1.89 0.26 -0.19 1.61 0.15 -1.26 -5.05 113.70 107.34 2enh s SER 5 Ca 0.17 0.36 -0.15 0.00 0.70 0.00 0.00 55.95 57.02 2enh s SER 5 Cb -0.02 1.06 -0.07 0.00 -1.71 0.00 0.00 66.02 65.28 2enh s SER 5 CO 0.70 -0.28 -0.32 -0.24 1.20 0.00 0.00 173.24 174.29 2enh n SER 6 N 5.36 1.84 -0.05 5.45 2.88 -1.26 -5.06 113.62 122.78 2enh n SER 6 Ca -0.05 0.31 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 2enh n SER 6 Cb 0.50 -0.72 0.00 0.00 -0.75 0.00 0.00 64.21 63.24 2enh n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2enh n GLY 7 N 1.57 0.93 3.01 0.46 0.00 -1.26 -5.12 105.19 104.78 2enh n GLY 7 Ca -0.24 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.96 -0.05 0.00 2.61 -4.23 -1.26 -5.00 115.64 105.75 2enh s THR 8 Ca 0.00 0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.67 2enh s THR 8 Cb 0.00 -0.33 0.00 0.00 1.34 0.00 0.00 72.50 73.51 2enh s THR 8 CO 0.00 0.07 0.00 0.61 -0.54 0.00 0.00 174.62 174.76 2enh n GLY 9 N 4.25 1.14 3.85 3.99 0.00 -1.26 -5.08 105.19 112.08 2enh n GLY 9 Ca -0.25 -0.59 -0.33 0.00 0.00 0.00 0.00 46.02 44.85 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 3.98 -1.40 1.61 8.01 -1.26 -4.09 118.70 125.55 2enh s GLU 10 Ca 0.00 0.62 -0.07 0.00 0.01 0.00 0.00 54.97 55.52 2enh s GLU 10 Cb 0.00 -2.48 0.04 0.00 -4.31 0.00 0.00 34.13 27.38 2enh s GLU 10 CO 0.00 0.19 0.94 1.63 0.01 0.00 0.00 175.26 178.03 2enh n LYS 11 N -0.29 -5.93 0.00 1.61 5.02 -1.26 -4.83 118.16 112.49 2enh n LYS 11 Ca 0.03 0.67 0.06 0.00 -2.02 0.00 0.00 58.31 57.05 2enh n LYS 11 Cb 0.53 -5.51 0.33 0.00 -0.02 0.00 0.00 35.03 30.36 2enh n LYS 11 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2enh n PRO 12 N -4.57 0.49 -5.00 1.97 -0.04 -1.26 -4.60 135.00 121.98 2enh n PRO 12 Ca -0.10 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.06 2enh n PRO 12 Cb 0.59 -1.36 -0.17 0.00 -0.04 0.00 0.00 33.50 32.52 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 2.34 -0.12 0.54 2.02 -1.26 -5.07 117.35 113.80 2enh s TYR 13 Ca 0.17 -0.99 -0.21 0.00 -0.37 0.00 0.00 57.07 55.68 2enh s TYR 13 Cb 0.08 -1.59 0.05 0.00 -0.40 0.00 0.00 41.96 40.09 2enh s TYR 13 CO 0.13 -0.42 0.52 -2.00 -1.57 0.00 0.00 175.55 172.21 2enh s GLU 14 N 0.49 0.73 1.26 -0.62 2.12 -1.26 -3.15 118.70 118.27 2enh s GLU 14 Ca -0.16 0.42 -0.21 0.00 0.36 0.00 0.00 54.97 55.38 2enh s GLU 14 Cb -0.17 0.35 0.31 0.00 0.26 0.00 0.00 34.13 34.88 2enh s GLU 14 CO 0.06 -0.16 1.10 0.00 -0.54 0.00 0.00 175.26 175.72 2enh n ASP 16 N -4.95 0.35 0.09 0.00 2.03 -1.26 -3.97 116.55 108.83 2enh n ASP 16 Ca 0.15 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.33 2enh n ASP 16 Cb 0.60 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.92 2enh n ASP 16 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2enh h VAL 17 N 0.00 0.94 0.00 5.18 2.07 -2.01 -3.28 116.25 119.15 2enh h VAL 17 Ca 0.00 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 2enh h VAL 17 Cb 0.92 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 2enh h VAL 17 CO 0.00 0.06 -2.00 0.00 0.02 0.00 0.00 177.57 175.64 2enh n ARG 19 N -2.32 -5.48 -3.51 0.00 5.12 -1.24 -5.01 116.66 104.23 2enh n ARG 19 Ca -0.06 0.73 -0.32 0.00 -1.93 0.00 0.00 57.85 56.27 2enh n ARG 19 Cb 0.62 -5.37 -0.05 0.00 -1.16 0.00 0.00 32.46 26.50 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 -5.11 3.72 -0.03 5.56 2.20 -1.26 -4.74 119.74 120.07 2enh s LYS 20 Ca 0.02 0.12 -0.06 0.00 -0.36 0.00 0.00 55.97 55.68 2enh s LYS 20 Cb -0.00 -2.72 -0.04 0.00 -1.51 0.00 0.00 37.83 33.55 2enh s LYS 20 CO 0.62 0.37 0.22 0.00 -0.36 0.00 0.00 175.35 176.21 2enh s ALA 21 N -1.77 3.87 0.03 3.13 0.00 -1.26 -1.28 121.76 124.48 2enh s ALA 21 Ca 0.45 -0.61 0.02 0.00 0.00 0.00 0.00 51.96 51.82 2enh s ALA 21 Cb -0.12 -2.02 -0.02 0.00 0.00 0.00 0.00 23.12 20.96 2enh s ALA 21 CO 0.23 0.65 -0.06 -0.06 0.00 0.00 0.00 175.76 176.51 2enh s PHE 22 N -1.21 0.55 -0.15 0.00 0.40 -1.19 -5.03 117.98 111.36 2enh s PHE 22 Ca 0.23 -0.48 -0.16 0.00 -0.60 0.00 0.00 56.93 55.93 2enh s PHE 22 Cb -0.13 -0.34 -0.24 0.00 0.51 0.00 0.00 43.02 42.82 2enh s PHE 22 CO 0.13 -0.10 0.39 1.03 0.70 0.00 0.00 175.22 177.36 2enh h SER 23 N 4.64 0.24 -3.61 1.36 0.87 -1.98 -3.41 113.55 111.66 2enh h SER 23 Ca -0.34 -0.76 -0.63 0.00 -1.23 0.00 0.00 61.79 58.83 2enh h SER 23 Cb 1.20 -0.08 -0.16 0.00 -0.44 0.00 0.00 62.40 62.93 2enh h SER 23 CO 0.41 1.62 -0.52 -2.28 -0.53 0.00 0.00 176.83 175.53 2enh s HIS 24 N -2.45 3.27 0.33 2.24 5.65 -1.26 -4.87 115.29 118.21 2enh s HIS 24 Ca -0.24 0.14 0.08 0.00 0.25 0.00 0.00 55.06 55.29 2enh s HIS 24 Cb 0.05 -2.26 0.95 0.00 -1.18 0.00 0.00 32.58 30.14 2enh s HIS 24 CO 0.70 0.00 1.59 1.12 -0.65 0.00 0.00 174.74 177.50 2enh h HIS 25 N 7.62 0.32 -0.22 3.88 -0.00 -1.98 0.31 115.15 125.07 2enh h HIS 25 Ca -0.37 0.06 0.06 0.00 -0.00 0.00 0.00 60.37 60.11 2enh h HIS 25 Cb 1.17 0.02 -0.07 0.00 -0.00 0.00 0.00 27.41 28.54 2enh h HIS 25 CO 0.67 -0.41 -0.23 0.00 -0.00 0.00 0.00 177.93 177.96 2enh h ALA 26 N 1.96 -0.13 -1.76 6.11 0.00 -1.99 0.22 119.26 123.68 2enh h ALA 26 Ca 0.68 0.07 0.51 0.00 0.00 0.00 0.00 54.91 56.17 2enh h ALA 26 Cb 1.56 0.48 -0.07 0.00 0.00 0.00 0.00 17.79 19.76 2enh h ALA 26 CO -0.83 -0.66 1.32 0.77 0.00 0.00 0.00 179.25 179.84 2enh h SER 27 N -0.25 0.00 0.00 0.00 0.02 -0.79 0.11 113.55 112.64 2enh h SER 27 Ca 0.13 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 2enh h SER 27 Cb 0.45 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.99 2enh h SER 27 CO -0.37 0.00 -0.11 0.25 -1.14 0.00 0.00 176.83 175.46 2enh h LEU 28 N 0.00 0.00 -1.65 5.07 5.85 -0.99 -1.71 115.31 121.88 2enh h LEU 28 Ca 0.84 -0.10 0.03 0.00 0.84 0.00 0.00 57.88 59.49 2enh h LEU 28 Cb 3.46 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 44.48 2enh h LEU 28 CO -0.01 0.61 0.49 0.00 -0.34 0.00 0.00 178.44 179.19 2enh h THR 29 N -1.00 0.07 0.00 1.05 1.03 -0.48 0.25 112.91 113.83 2enh h THR 29 Ca -0.01 0.00 -0.24 0.00 -0.01 0.00 0.00 66.41 66.15 2enh h THR 29 Cb 0.20 0.53 -0.04 0.00 -1.07 0.00 0.00 68.15 67.78 2enh h THR 29 CO -0.00 0.00 -1.43 0.00 -0.01 0.00 0.00 175.52 174.08 2enh n GLN 30 N -2.99 0.55 -0.10 0.00 6.02 -0.05 -4.45 117.38 116.36 2enh n GLN 30 Ca 0.01 0.48 -0.07 0.00 -0.01 0.00 0.00 57.00 57.41 2enh n GLN 30 Cb 0.57 -1.67 0.00 0.00 1.02 0.00 0.00 30.24 30.16 2enh n GLN 30 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2enh h HIS 31 N -1.00 0.30 -1.62 1.08 -0.00 -0.30 -1.97 115.15 111.64 2enh h HIS 31 Ca -0.36 0.01 0.47 0.00 -0.00 0.00 0.00 60.37 60.50 2enh h HIS 31 Cb 1.24 -0.09 -0.06 0.00 -0.00 0.00 0.00 27.41 28.50 2enh h HIS 31 CO -0.02 0.16 1.27 1.04 -0.00 0.00 0.00 177.93 180.38 2enh n GLN 32 N -4.95 0.00 -0.09 5.26 1.13 0.78 0.04 117.38 119.55 2enh n GLN 32 Ca 0.00 0.98 -0.08 0.00 -1.94 0.00 0.00 57.00 55.96 2enh n GLN 32 Cb 0.08 -2.30 -0.02 0.00 0.11 0.00 0.00 30.24 28.12 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 -0.25 -1.19 -1.09 3.08 -1.58 0.17 114.38 113.53 2enh h ARG 33 Ca 0.77 0.02 0.34 0.00 0.07 0.00 0.00 59.98 61.18 2enh h ARG 33 Cb 3.30 0.06 -0.05 0.00 0.08 0.00 0.00 29.97 33.36 2enh h ARG 33 CO -0.01 -0.17 1.24 -0.39 -1.07 0.00 0.00 179.97 179.58 2enh h VAL 34 N -0.26 0.01 -3.29 2.04 -1.51 -0.60 -2.41 116.25 110.23 2enh h VAL 34 Ca 0.16 0.00 -0.74 0.00 -1.23 0.00 0.00 66.70 64.89 2enh h VAL 34 Cb 0.52 0.02 -0.32 0.00 -2.13 0.00 0.00 31.29 29.37 2enh h VAL 34 CO -0.48 0.00 0.17 1.41 -1.23 0.00 0.00 177.57 177.44 2enh n HIS 35 N -3.38 4.35 -3.90 5.19 8.25 0.60 -5.01 115.22 121.32 2enh n HIS 35 Ca 0.27 -3.89 -0.10 0.00 -0.26 0.00 0.00 57.72 53.74 2enh n HIS 35 Cb 1.60 -1.32 -0.10 0.00 1.12 0.00 0.00 29.99 31.30 2enh n HIS 35 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2enh s SER 36 N 0.03 0.11 -0.23 0.41 0.15 -0.91 -5.01 113.70 108.25 2enh s SER 36 Ca 0.30 -0.38 -0.29 0.00 0.70 0.00 0.00 55.95 56.27 2enh s SER 36 Cb -0.06 0.22 -0.02 0.00 -1.71 0.00 0.00 66.02 64.45 2enh s SER 36 CO -0.08 -0.44 1.50 -0.83 1.20 0.00 0.00 173.24 174.59 2enh s GLY 37 N -1.78 1.32 0.28 9.45 0.00 -1.26 -5.01 107.32 110.31 2enh s GLY 37 Ca -0.10 0.40 0.06 0.00 0.00 0.00 0.00 44.72 45.08 2enh s GLY 37 CO -0.02 2.85 0.38 -0.54 0.00 0.00 0.00 173.10 175.77 2enh s GLU 38 N 4.40 3.26 -0.87 2.90 0.41 -1.26 -5.07 118.70 122.48 2enh s GLU 38 Ca 0.66 -0.89 -0.00 0.00 -0.41 0.00 0.00 54.97 54.32 2enh s GLU 38 Cb -0.23 -2.82 0.22 0.00 -1.78 0.00 0.00 34.13 29.52 2enh s GLU 38 CO 0.26 0.29 0.75 1.17 -0.49 0.00 0.00 175.26 177.25 2enh n LYS 39 N -1.46 2.55 0.23 1.61 4.81 -1.26 -4.88 118.16 119.76 2enh n LYS 39 Ca -0.06 -4.49 0.16 0.00 -0.87 0.00 0.00 58.31 53.05 2enh n LYS 39 Cb 0.58 -2.39 0.64 0.00 0.02 0.00 0.00 35.03 33.87 2enh n LYS 39 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 2enh h PRO 40 N 5.80 0.00 -2.10 1.64 0.13 -2.03 -3.44 132.00 131.99 2enh h PRO 40 Ca 0.16 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.23 2enh h PRO 40 Cb 0.79 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 31.72 2enh h PRO 40 CO 0.85 0.00 0.12 -1.54 -0.23 0.00 0.00 178.00 177.20 2enh s SER 41 N -5.17 -0.65 0.00 1.44 1.04 -1.26 -5.16 113.70 103.94 2enh s SER 41 Ca 0.02 0.90 0.00 0.00 0.48 0.00 0.00 55.95 57.35 2enh s SER 41 Cb 0.09 0.82 0.00 0.00 0.10 0.00 0.00 66.02 67.03 2enh s SER 41 CO 0.49 -0.47 0.00 0.61 0.98 0.00 0.00 173.24 174.85 2enh n GLY 42 N 1.56 -0.43 3.70 7.32 0.00 -1.26 -5.15 105.19 110.92 2enh n GLY 42 Ca -0.17 -1.10 -0.29 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.00 0.87 -0.01 1.61 0.04 -1.26 -4.89 135.00 129.36 2enh s PRO 43 Ca 0.00 0.68 -0.05 0.00 0.04 0.00 0.00 61.00 61.67 2enh s PRO 43 Cb 0.00 -1.78 -0.22 0.00 0.04 0.00 0.00 34.50 32.55 2enh s PRO 43 CO 0.00 -2.47 3.36 0.45 0.04 0.00 0.00 177.00 178.38 2enh n SER 44 N -4.02 5.30 -3.41 6.66 2.88 -1.26 -4.67 113.62 115.10 2enh n SER 44 Ca 0.06 -2.49 -0.14 0.00 -1.33 0.00 0.00 58.87 54.97 2enh n SER 44 Cb 0.56 -1.37 -0.10 0.00 -0.75 0.00 0.00 64.21 62.55 2enh n SER 44 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2enh s SER 45 N 1.95 0.84 0.00 -3.46 0.01 -1.26 -5.34 113.70 106.44 2enh s SER 45 Ca 0.57 -0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.76 2enh s SER 45 Cb 0.27 0.76 0.00 0.00 0.21 0.00 0.00 66.02 67.27 2enh s SER 45 CO -0.01 -0.32 0.00 0.61 0.41 0.00 0.00 173.24 173.93