#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bbx n SER 2 N 0.00 0.65 -4.66 1.61 7.64 -1.26 -5.11 113.62 112.50 2bbx n SER 2 Ca 0.00 -1.37 -0.30 0.00 1.01 0.00 0.00 58.87 58.21 2bbx n SER 2 Cb 0.00 -0.01 0.17 0.00 -1.01 0.00 0.00 64.21 63.35 2bbx n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2bbx s ALA 3 N -0.35 1.10 0.17 -0.43 0.00 -1.26 -5.10 121.76 115.89 2bbx s ALA 3 Ca 0.00 0.03 -0.21 0.00 0.00 0.00 0.00 51.96 51.78 2bbx s ALA 3 Cb 0.00 -3.25 0.06 0.00 0.00 0.00 0.00 23.12 19.93 2bbx s ALA 3 CO 0.00 -2.74 0.57 -1.12 0.00 0.00 0.00 175.76 172.47 2bbx s SER 4 N -3.11 -0.46 -0.00 0.00 0.01 -1.26 -5.10 113.70 103.79 2bbx s SER 4 Ca 0.65 -0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.76 2bbx s SER 4 Cb -0.20 0.59 0.00 0.00 0.21 0.00 0.00 66.02 66.62 2bbx s SER 4 CO 0.59 -0.99 0.60 0.00 0.41 0.00 0.00 173.24 173.85 2bbx n GLY 6 N -0.02 0.54 3.16 0.00 0.00 -1.26 -1.01 105.19 106.60 2bbx n GLY 6 Ca 0.00 -2.25 -0.10 0.00 0.00 0.00 0.00 46.02 43.67 2bbx n GLY 6 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2bbx s VAL 7 N -0.58 0.44 0.94 1.61 -7.23 -1.26 -5.06 120.40 109.26 2bbx s VAL 7 Ca 0.00 -1.91 -0.13 0.00 -1.81 0.00 0.00 61.98 58.14 2bbx s VAL 7 Cb 0.00 -1.82 0.16 0.00 0.56 0.00 0.00 36.38 35.28 2bbx s VAL 7 CO 0.00 -0.73 1.13 0.26 -0.31 0.00 0.00 175.10 175.45 2bbx s TRP 8 N -3.80 2.32 0.10 2.82 0.52 -1.26 -4.62 118.94 115.01 2bbx s TRP 8 Ca 0.16 0.84 0.01 0.00 0.02 0.00 0.00 56.10 57.13 2bbx s TRP 8 Cb 0.07 -3.39 0.01 0.00 -1.15 0.00 0.00 33.47 29.00 2bbx s TRP 8 CO -0.03 -2.55 0.07 -0.25 0.02 0.00 0.00 176.95 174.21 2bbx n ASP 9 N -3.89 1.42 -4.75 2.95 8.00 -1.24 -5.04 116.55 113.99 2bbx n ASP 9 Ca 0.07 -1.35 -0.39 0.00 0.71 0.00 0.00 54.79 53.83 2bbx n ASP 9 Cb 0.59 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.73 2bbx n ASP 9 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2bbx s GLU 10 N -2.40 3.14 0.83 -1.24 2.02 -1.26 -4.92 118.70 114.87 2bbx s GLU 10 Ca 0.05 2.28 -0.11 0.00 0.02 0.00 0.00 54.97 57.21 2bbx s GLU 10 Cb -0.00 -2.28 0.09 0.00 0.10 0.00 0.00 34.13 32.04 2bbx s GLU 10 CO 0.03 -1.21 1.09 -1.58 0.02 0.00 0.00 175.26 173.62 2bbx s TRP 11 N -1.28 2.56 0.29 1.61 0.52 -1.26 -4.75 118.94 116.63 2bbx s TRP 11 Ca 0.71 1.29 0.06 0.00 0.02 0.00 0.00 56.10 58.18 2bbx s TRP 11 Cb -0.41 -3.11 -0.02 0.00 -1.15 0.00 0.00 33.47 28.78 2bbx s TRP 11 CO 0.49 -2.03 0.41 -1.12 0.02 0.00 0.00 176.95 174.72 2bbx s SER 12 N -3.58 6.10 0.78 2.95 0.01 -0.31 -5.01 113.70 114.64 2bbx s SER 12 Ca 0.62 -0.08 -0.12 0.00 1.31 0.00 0.00 55.95 57.67 2bbx s SER 12 Cb -0.17 -1.50 0.06 0.00 0.21 0.00 0.00 66.02 64.63 2bbx s SER 12 CO 0.56 -0.26 1.13 -2.16 0.41 0.00 0.00 173.24 172.92 2bbx s PRO 13 N -4.08 2.03 0.69 12.44 0.04 -1.26 -4.41 135.00 140.44 2bbx s PRO 13 Ca 0.40 1.43 -0.15 0.00 0.04 0.00 0.00 61.00 62.73 2bbx s PRO 13 Cb -0.09 -1.85 0.01 0.00 0.04 0.00 0.00 34.50 32.61 2bbx s PRO 13 CO 0.30 -1.86 1.13 0.00 0.04 0.00 0.00 177.00 176.61 2bbx n SER 15 N -2.60 0.46 -3.37 0.00 3.41 0.27 -4.80 113.62 106.99 2bbx n SER 15 Ca 0.11 0.65 -0.19 0.00 -0.26 0.00 0.00 58.87 59.18 2bbx n SER 15 Cb 0.52 -0.73 -0.08 0.00 -0.26 0.00 0.00 64.21 63.65 2bbx n SER 15 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2bbx s VAL 16 N -3.30 0.00 -0.16 -3.33 -7.23 -1.26 -4.99 120.40 100.13 2bbx s VAL 16 Ca 0.02 -1.98 0.14 0.00 -1.81 0.00 0.00 61.98 58.35 2bbx s VAL 16 Cb 0.07 -2.51 0.41 0.00 0.56 0.00 0.00 36.38 34.92 2bbx s VAL 16 CO 0.27 0.00 1.20 0.35 -0.31 0.00 0.00 175.10 176.61 2bbx n THR 17 N -0.61 1.72 -0.20 5.32 -2.24 -1.26 -4.70 114.28 112.31 2bbx n THR 17 Ca 0.07 -2.71 0.00 0.00 -2.27 0.00 0.00 64.05 59.14 2bbx n THR 17 Cb 0.62 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 2bbx n THR 17 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bbx n GLY 19 N 0.30 0.26 0.95 0.00 0.00 -1.20 -4.02 105.19 101.48 2bbx n GLY 19 Ca 0.00 -0.72 0.05 0.00 0.00 0.00 0.00 46.02 45.36 2bbx n GLY 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2bbx n LYS 20 N -1.35 0.95 0.00 1.61 4.76 -1.26 -4.89 118.16 117.98 2bbx n LYS 20 Ca -0.04 -2.77 0.00 0.00 -2.87 0.00 0.00 58.31 52.63 2bbx n LYS 20 Cb 0.53 -0.98 0.00 0.00 -1.84 0.00 0.00 35.03 32.75 2bbx n LYS 20 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2bbx n GLY 21 N -0.48 4.37 3.30 0.72 0.00 -1.26 -4.98 105.19 106.86 2bbx n GLY 21 Ca 0.14 -1.11 -0.16 0.00 0.00 0.00 0.00 46.02 44.89 2bbx n GLY 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bbx s THR 22 N -1.46 1.42 0.29 2.61 -4.23 -1.26 -1.51 115.64 111.50 2bbx s THR 22 Ca 0.00 -2.13 0.02 0.00 -1.18 0.00 0.00 61.69 58.41 2bbx s THR 22 Cb 0.00 -1.97 -0.06 0.00 1.34 0.00 0.00 72.50 71.82 2bbx s THR 22 CO 0.00 -0.66 0.08 0.00 -0.54 0.00 0.00 174.62 173.50 2bbx s ARG 23 N -3.71 1.53 0.19 3.99 1.70 -0.07 -0.56 118.95 122.02 2bbx s ARG 23 Ca 0.20 -1.84 -0.09 0.00 -0.47 0.00 0.00 55.73 53.54 2bbx s ARG 23 Cb 0.01 -0.54 -0.01 0.00 -0.57 0.00 0.00 34.95 33.84 2bbx s ARG 23 CO 0.04 -0.25 0.31 -1.54 -1.08 0.00 0.00 175.30 172.78 2bbx s SER 24 N -3.40 0.03 0.16 -2.89 1.04 -1.26 -2.01 113.70 105.37 2bbx s SER 24 Ca 0.37 -0.98 -0.18 0.00 0.48 0.00 0.00 55.95 55.64 2bbx s SER 24 Cb 0.08 0.47 0.04 0.00 0.10 0.00 0.00 66.02 66.71 2bbx s SER 24 CO 0.15 -0.95 0.48 0.00 0.98 0.00 0.00 173.24 173.89 2bbx s ARG 25 N -4.02 1.22 0.32 4.02 1.70 -1.12 -1.16 118.95 119.91 2bbx s ARG 25 Ca 0.22 -0.73 0.07 0.00 -0.47 0.00 0.00 55.73 54.82 2bbx s ARG 25 Cb 0.03 0.51 -0.06 0.00 -0.57 0.00 0.00 34.95 34.85 2bbx s ARG 25 CO 0.05 -0.50 -0.04 0.15 -1.08 0.00 0.00 175.30 173.87 2bbx s LYS 26 N -3.82 1.67 0.10 3.89 1.02 -1.26 -2.49 119.74 118.85 2bbx s LYS 26 Ca 0.05 -1.88 -0.15 0.00 0.02 0.00 0.00 55.97 54.01 2bbx s LYS 26 Cb 0.00 -1.27 0.03 0.00 -0.52 0.00 0.00 37.83 36.07 2bbx s LYS 26 CO -0.09 0.01 0.37 -0.98 -0.92 0.00 0.00 175.35 173.74 2bbx s ARG 27 N -3.73 1.00 -1.25 1.68 1.70 -1.07 -3.63 118.95 113.65 2bbx s ARG 27 Ca 0.32 -0.66 -0.14 0.00 -0.47 0.00 0.00 55.73 54.79 2bbx s ARG 27 Cb 0.05 0.44 0.15 0.00 -0.57 0.00 0.00 34.95 35.01 2bbx s ARG 27 CO 0.14 -0.37 1.60 0.39 -1.08 0.00 0.00 175.30 175.99 2bbx n GLU 28 N -0.01 3.37 -1.66 3.89 -0.58 -1.26 -4.84 120.64 119.54 2bbx n GLU 28 Ca -0.17 -3.64 -0.45 0.00 -0.42 0.00 0.00 57.16 52.48 2bbx n GLU 28 Cb 0.63 -3.11 -0.03 0.00 -0.57 0.00 0.00 31.44 28.36 2bbx n GLU 28 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 2bbx n ILE 29 N 4.68 0.92 0.19 -3.67 -5.35 -1.26 -4.87 119.36 109.99 2bbx n ILE 29 Ca 0.40 -0.23 0.10 0.00 -0.27 0.00 0.00 62.75 62.76 2bbx n ILE 29 Cb 0.42 -1.41 0.12 0.00 -1.74 0.00 0.00 39.64 37.03 2bbx n ILE 29 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 2bbx h LEU 30 N 4.18 0.00 -7.98 7.28 3.38 -1.46 -3.47 115.31 117.24 2bbx h LEU 30 Ca -0.45 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.37 2bbx h LEU 30 Cb 1.28 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.84 2bbx h LEU 30 CO 0.75 0.08 -0.65 -1.00 0.09 0.00 0.00 178.44 177.71 2bbx s HIS 31 N -3.19 0.26 0.41 1.13 3.76 -1.26 -5.06 115.29 111.33 2bbx s HIS 31 Ca 0.05 -0.56 0.31 0.00 -0.15 0.00 0.00 55.06 54.71 2bbx s HIS 31 Cb 0.06 -0.20 1.59 0.00 1.11 0.00 0.00 32.58 35.14 2bbx s HIS 31 CO 0.70 -0.25 2.11 1.49 -0.85 0.00 0.00 174.74 177.93 2bbx h GLU 32 N 4.24 0.00 -0.93 1.40 4.57 -1.99 -3.19 114.58 118.68 2bbx h GLU 32 Ca -0.32 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 57.80 2bbx h GLU 32 Cb 1.19 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.75 2bbx h GLU 32 CO 0.46 0.08 0.08 0.41 -1.18 0.00 0.00 179.01 178.86 2bbx n GLY 33 N -0.65 2.25 3.02 1.92 0.00 -1.26 -4.86 105.19 105.61 2bbx n GLY 33 Ca -0.02 -0.27 -0.14 0.00 0.00 0.00 0.00 46.02 45.58 2bbx n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bbx s THR 35 N -0.81 2.65 0.00 0.00 2.01 -1.26 -4.97 115.64 113.26 2bbx s THR 35 Ca -0.04 0.61 0.00 0.00 0.31 0.00 0.00 61.69 62.57 2bbx s THR 35 Cb -0.06 -3.39 0.00 0.00 0.01 0.00 0.00 72.50 69.06 2bbx s THR 35 CO 0.00 0.13 0.45 -1.54 -0.69 0.00 0.00 174.62 172.97 2bbx n SER 36 N 1.33 0.90 -3.72 3.53 3.41 -1.26 -4.90 113.62 112.91 2bbx n SER 36 Ca 0.02 -0.99 -0.12 0.00 -0.26 0.00 0.00 58.87 57.52 2bbx n SER 36 Cb 0.41 0.02 -0.10 0.00 -0.26 0.00 0.00 64.21 64.27 2bbx n SER 36 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2bbx s GLU 37 N -0.02 0.43 0.20 4.33 2.12 -1.26 -2.58 118.70 121.92 2bbx s GLU 37 Ca 0.00 0.66 -0.04 0.00 0.36 0.00 0.00 54.97 55.96 2bbx s GLU 37 Cb 0.00 0.11 -0.03 0.00 0.26 0.00 0.00 34.13 34.47 2bbx s GLU 37 CO 0.00 -0.10 0.19 0.96 -0.54 0.00 0.00 175.26 175.77 2bbx s ILE 38 N 0.75 0.01 0.05 -3.70 -5.25 -1.04 -5.04 121.20 106.99 2bbx s ILE 38 Ca -0.04 -1.85 -0.04 0.00 -0.99 0.00 0.00 60.65 57.73 2bbx s ILE 38 Cb -0.05 -2.37 -0.02 0.00 2.95 0.00 0.00 42.46 42.97 2bbx s ILE 38 CO -0.05 -0.06 0.05 -1.10 -1.79 0.00 0.00 174.94 171.98 2bbx s GLN 39 N -4.11 0.63 0.23 0.37 -0.21 -1.26 -2.80 119.66 112.50 2bbx s GLN 39 Ca 0.33 -1.00 -0.19 0.00 0.02 0.00 0.00 55.36 54.53 2bbx s GLN 39 Cb 0.05 0.23 0.03 0.00 1.00 0.00 0.00 33.01 34.33 2bbx s GLN 39 CO 0.10 -0.15 0.61 -1.83 -2.12 0.00 0.00 175.29 171.90 2bbx s GLU 40 N -3.37 1.55 0.34 2.91 -1.05 -0.85 -5.00 118.70 113.23 2bbx s GLU 40 Ca 0.02 -0.92 -0.29 0.00 -0.15 0.00 0.00 54.97 53.63 2bbx s GLU 40 Cb 0.04 0.56 -0.11 0.00 -0.44 0.00 0.00 34.13 34.18 2bbx s GLU 40 CO -0.08 -0.68 1.41 -0.65 0.95 0.00 0.00 175.26 176.21 2bbx s GLN 41 N -3.90 4.22 0.83 -4.83 -0.21 -1.26 -0.89 119.66 113.63 2bbx s GLN 41 Ca 0.11 2.40 -0.07 0.00 0.02 0.00 0.00 55.36 57.82 2bbx s GLN 41 Cb -0.03 -3.02 0.16 0.00 1.00 0.00 0.00 33.01 31.12 2bbx s GLN 41 CO 0.01 -0.39 1.15 0.00 -2.12 0.00 0.00 175.29 173.94 2bbx n GLU 43 N -3.26 0.73 -1.23 0.00 1.02 -1.26 -4.88 120.64 111.76 2bbx n GLU 43 Ca 0.16 -2.09 -0.34 0.00 -0.02 0.00 0.00 57.16 54.87 2bbx n GLU 43 Cb 0.60 -0.99 0.12 0.00 -0.02 0.00 0.00 31.44 31.15 2bbx n GLU 43 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2bbx s GLU 44 N -1.59 1.79 0.88 3.49 0.41 -1.26 -4.97 118.70 117.44 2bbx s GLU 44 Ca 0.22 1.82 -0.11 0.00 -0.41 0.00 0.00 54.97 56.50 2bbx s GLU 44 Cb 0.21 -1.79 0.12 0.00 -1.78 0.00 0.00 34.13 30.90 2bbx s GLU 44 CO -0.02 -2.12 1.11 -2.00 -0.49 0.00 0.00 175.26 171.74 2bbx s GLU 45 N -3.99 1.34 0.91 1.61 2.56 -1.26 -3.64 118.70 116.23 2bbx s GLU 45 Ca 0.75 1.25 -0.12 0.00 0.00 0.00 0.00 54.97 56.85 2bbx s GLU 45 Cb -0.31 -1.79 0.07 0.00 2.00 0.00 0.00 34.13 34.11 2bbx s GLU 45 CO 0.49 -2.31 0.70 0.54 -0.56 0.00 0.00 175.26 174.12 2bbx n ARG 46 N -3.99 -0.26 -1.54 4.30 1.74 -1.26 -3.24 116.66 112.42 2bbx n ARG 46 Ca 0.09 -0.02 -0.43 0.00 -0.77 0.00 0.00 57.85 56.72 2bbx n ARG 46 Cb 0.53 -2.06 -0.00 0.00 -1.02 0.00 0.00 32.46 29.91 2bbx n ARG 46 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2bbx n PRO 48 N 0.53 0.53 0.00 0.00 -0.02 -1.26 -5.04 135.00 129.73 2bbx n PRO 48 Ca 0.11 0.22 0.06 0.00 -2.02 0.00 0.00 63.50 61.87 2bbx n PRO 48 Cb 0.36 -2.02 0.37 0.00 -0.02 0.00 0.00 33.50 32.20 2bbx n PRO 48 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13