#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bbx s SER 2 N 0.00 4.15 0.28 1.61 0.01 -1.26 -5.07 113.70 113.42 2bbx s SER 2 Ca 0.00 2.39 -0.09 0.00 1.31 0.00 0.00 55.95 59.56 2bbx s SER 2 Cb 0.00 -2.59 -0.00 0.00 0.21 0.00 0.00 66.02 63.63 2bbx s SER 2 CO 0.00 -2.30 0.45 0.00 0.41 0.00 0.00 173.24 171.81 2bbx s ALA 3 N -1.94 0.19 0.17 1.44 0.00 -1.26 -5.19 121.76 115.16 2bbx s ALA 3 Ca 0.75 -1.15 -0.20 0.00 0.00 0.00 0.00 51.96 51.36 2bbx s ALA 3 Cb -0.30 1.11 0.05 0.00 0.00 0.00 0.00 23.12 23.98 2bbx s ALA 3 CO 0.45 -0.81 0.53 -1.12 0.00 0.00 0.00 175.76 174.81 2bbx s SER 4 N -3.10 -0.38 -0.00 0.00 0.01 -1.26 -5.10 113.70 103.87 2bbx s SER 4 Ca 0.26 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.29 2bbx s SER 4 Cb 0.00 0.57 0.01 0.00 0.21 0.00 0.00 66.02 66.81 2bbx s SER 4 CO 0.13 -0.98 0.65 0.00 0.41 0.00 0.00 173.24 173.45 2bbx n GLY 6 N -0.12 0.46 3.20 0.00 0.00 -1.26 -1.27 105.19 106.20 2bbx n GLY 6 Ca 0.00 -2.26 -0.12 0.00 0.00 0.00 0.00 46.02 43.64 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 -0.45 0.58 0.82 1.61 -7.23 -1.26 -5.06 120.40 109.40 2bbx s VAL 7 Ca 0.00 -1.95 -0.12 0.00 -1.81 0.00 0.00 61.98 58.10 2bbx s VAL 7 Cb 0.00 -1.94 0.08 0.00 0.56 0.00 0.00 36.38 35.09 2bbx s VAL 7 CO 0.00 -0.63 1.14 0.26 -0.31 0.00 0.00 175.10 175.56 2bbx s TRP 8 N -3.72 2.86 0.27 2.82 0.52 -1.26 -4.58 118.94 115.86 2bbx s TRP 8 Ca 0.19 0.90 0.04 0.00 0.02 0.00 0.00 56.10 57.25 2bbx s TRP 8 Cb 0.06 -3.33 0.04 0.00 -1.15 0.00 0.00 33.47 29.09 2bbx s TRP 8 CO 0.00 -1.85 0.35 -3.47 0.02 0.00 0.00 176.95 172.00 2bbx n ASP 9 N -3.42 1.10 -4.72 2.95 2.03 -1.21 -5.04 116.55 108.24 2bbx n ASP 9 Ca 0.07 -1.74 -0.40 0.00 0.52 0.00 0.00 54.79 53.24 2bbx n ASP 9 Cb 0.59 -0.17 0.02 0.00 -0.72 0.00 0.00 41.12 40.84 2bbx n ASP 9 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2bbx n GLU 10 N -1.52 1.93 -1.34 -0.67 1.02 -1.26 -4.92 120.64 113.88 2bbx n GLU 10 Ca 0.06 0.69 -0.31 0.00 -0.02 0.00 0.00 57.16 57.59 2bbx n GLU 10 Cb 0.28 -2.47 0.09 0.00 -0.02 0.00 0.00 31.44 29.32 2bbx n GLU 10 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2bbx s TRP 11 N -1.23 2.66 0.40 -0.32 0.52 -1.26 -4.76 118.94 114.95 2bbx s TRP 11 Ca 0.63 1.44 -0.01 0.00 0.02 0.00 0.00 56.10 58.19 2bbx s TRP 11 Cb -0.47 -3.04 -0.03 0.00 -1.15 0.00 0.00 33.47 28.78 2bbx s TRP 11 CO 0.56 -1.79 0.62 -1.12 0.02 0.00 0.00 176.95 175.25 2bbx s SER 12 N -3.52 6.19 0.83 2.95 0.01 -0.53 -5.03 113.70 114.60 2bbx s SER 12 Ca 0.61 0.51 -0.10 0.00 1.31 0.00 0.00 55.95 58.27 2bbx s SER 12 Cb -0.16 -1.97 0.09 0.00 0.21 0.00 0.00 66.02 64.19 2bbx s SER 12 CO 0.56 -0.44 1.11 -2.16 0.41 0.00 0.00 173.24 172.71 2bbx s PRO 13 N -4.45 1.78 0.48 12.44 0.04 -1.26 -4.55 135.00 139.47 2bbx s PRO 13 Ca 0.43 1.24 -0.24 0.00 0.04 0.00 0.00 61.00 62.47 2bbx s PRO 13 Cb -0.10 -1.84 -0.07 0.00 0.04 0.00 0.00 34.50 32.54 2bbx s PRO 13 CO 0.38 -2.00 1.35 0.00 0.04 0.00 0.00 177.00 176.77 2bbx n SER 15 N -0.48 0.24 -3.96 0.00 3.41 -0.56 -4.78 113.62 107.49 2bbx n SER 15 Ca 0.07 0.58 -0.13 0.00 -0.26 0.00 0.00 58.87 59.13 2bbx n SER 15 Cb 0.44 -0.62 -0.09 0.00 -0.26 0.00 0.00 64.21 63.68 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 -3.17 0.00 0.00 -3.33 -7.23 -1.26 -4.99 120.40 100.42 2bbx s VAL 16 Ca 0.02 -1.91 0.00 0.00 -1.81 0.00 0.00 61.98 58.29 2bbx s VAL 16 Cb 0.06 -2.47 0.00 0.00 0.56 0.00 0.00 36.38 34.52 2bbx s VAL 16 CO 0.19 0.00 0.15 1.07 -0.31 0.00 0.00 175.10 176.19 2bbx n THR 17 N -0.37 0.00 0.73 5.32 5.66 -1.26 -4.78 114.28 119.58 2bbx n THR 17 Ca 0.03 -0.33 0.08 0.00 -3.05 0.00 0.00 64.05 60.77 2bbx n THR 17 Cb 0.65 1.15 -0.05 0.00 -1.55 0.00 0.00 70.33 70.52 2bbx n THR 17 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2bbx n GLY 19 N 1.28 1.41 3.78 0.00 0.00 -1.26 -4.64 105.19 105.75 2bbx n GLY 19 Ca 0.05 -0.42 -0.36 0.00 0.00 0.00 0.00 46.02 45.28 2bbx n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bbx s LYS 20 N 1.62 3.86 0.00 1.61 -0.14 -1.26 -3.56 119.74 121.87 2bbx s LYS 20 Ca 0.00 1.63 0.00 0.00 -1.36 0.00 0.00 55.97 56.24 2bbx s LYS 20 Cb 0.00 -2.38 0.00 0.00 -1.68 0.00 0.00 37.83 33.77 2bbx s LYS 20 CO 0.00 -0.43 0.00 0.41 -0.76 0.00 0.00 175.35 174.57 2bbx n GLY 21 N 0.31 3.13 3.09 -3.33 0.00 -0.66 -4.90 105.19 102.83 2bbx n GLY 21 Ca 0.07 -0.46 -0.12 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.13 0.56 0.31 2.61 -4.23 -1.26 -1.00 115.64 111.50 2bbx s THR 22 Ca 0.00 -1.32 0.04 0.00 -1.18 0.00 0.00 61.69 59.22 2bbx s THR 22 Cb 0.00 -0.91 -0.06 0.00 1.34 0.00 0.00 72.50 72.87 2bbx s THR 22 CO 0.00 -0.54 0.05 0.00 -0.54 0.00 0.00 174.62 173.60 2bbx s ARG 23 N -2.25 1.62 0.24 3.99 1.70 -0.01 -1.50 118.95 122.74 2bbx s ARG 23 Ca -0.04 -1.89 -0.11 0.00 -0.47 0.00 0.00 55.73 53.23 2bbx s ARG 23 Cb -0.05 -0.82 -0.01 0.00 -0.57 0.00 0.00 34.95 33.49 2bbx s ARG 23 CO -0.01 -0.18 0.43 -1.54 -1.08 0.00 0.00 175.30 172.91 2bbx s SER 24 N -3.46 -0.02 0.16 -2.89 1.04 -1.26 -1.62 113.70 105.64 2bbx s SER 24 Ca 0.36 -1.02 -0.19 0.00 0.48 0.00 0.00 55.95 55.58 2bbx s SER 24 Cb 0.08 0.56 0.05 0.00 0.10 0.00 0.00 66.02 66.81 2bbx s SER 24 CO 0.15 -1.10 0.52 0.00 0.98 0.00 0.00 173.24 173.79 2bbx s ARG 25 N -4.00 1.25 0.34 4.02 1.70 -1.11 -1.45 118.95 119.69 2bbx s ARG 25 Ca 0.25 -0.65 0.10 0.00 -0.47 0.00 0.00 55.73 54.95 2bbx s ARG 25 Cb 0.00 0.53 -0.06 0.00 -0.57 0.00 0.00 34.95 34.86 2bbx s ARG 25 CO 0.10 -0.53 -0.09 0.15 -1.08 0.00 0.00 175.30 173.85 2bbx s LYS 26 N -3.80 1.84 0.23 3.89 1.02 -1.26 -2.43 119.74 119.23 2bbx s LYS 26 Ca 0.04 -1.92 -0.15 0.00 0.02 0.00 0.00 55.97 53.96 2bbx s LYS 26 Cb -0.00 -1.73 0.01 0.00 -0.52 0.00 0.00 37.83 35.59 2bbx s LYS 26 CO -0.10 0.15 0.51 -0.98 -0.92 0.00 0.00 175.35 174.01 2bbx s ARG 27 N -3.62 1.52 -1.10 1.68 1.70 -0.77 -3.34 118.95 115.02 2bbx s ARG 27 Ca 0.33 -1.13 -0.08 0.00 -0.47 0.00 0.00 55.73 54.38 2bbx s ARG 27 Cb 0.02 0.49 0.28 0.00 -0.57 0.00 0.00 34.95 35.17 2bbx s ARG 27 CO 0.17 -0.64 1.11 0.39 -1.08 0.00 0.00 175.30 175.25 2bbx n GLU 28 N -0.37 3.53 -1.62 3.89 1.02 -1.26 -4.84 120.64 120.98 2bbx n GLU 28 Ca -0.04 -4.47 -0.47 0.00 -0.02 0.00 0.00 57.16 52.16 2bbx n GLU 28 Cb 0.62 -2.54 -0.03 0.00 -0.02 0.00 0.00 31.44 29.47 2bbx n GLU 28 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 2bbx n ILE 29 N 2.55 0.87 0.22 -3.67 -5.35 -1.26 -4.85 119.36 107.86 2bbx n ILE 29 Ca 0.24 -0.22 0.11 0.00 -0.27 0.00 0.00 62.75 62.61 2bbx n ILE 29 Cb 0.38 -1.14 0.37 0.00 -1.74 0.00 0.00 39.64 37.52 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 3.85 0.00 -8.12 7.28 3.38 -1.56 -3.46 115.31 116.67 2bbx h LEU 30 Ca -0.44 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.40 2bbx h LEU 30 Cb 1.31 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.90 2bbx h LEU 30 CO 0.73 0.16 -0.64 -1.00 0.09 0.00 0.00 178.44 177.78 2bbx s HIS 31 N -3.44 0.41 -1.08 1.13 3.76 -1.26 -5.07 115.29 109.74 2bbx s HIS 31 Ca 0.03 -0.86 0.15 0.00 -0.15 0.00 0.00 55.06 54.22 2bbx s HIS 31 Cb 0.08 -0.30 0.65 0.00 1.11 0.00 0.00 32.58 34.13 2bbx s HIS 31 CO 0.64 -0.36 1.46 -0.85 -0.85 0.00 0.00 174.74 174.79 2bbx n GLU 32 N 0.45 0.04 -1.22 1.40 0.28 -1.26 -3.57 120.64 116.76 2bbx n GLU 32 Ca -0.17 0.23 -0.20 0.00 -0.16 0.00 0.00 57.16 56.86 2bbx n GLU 32 Cb 0.60 -1.50 0.14 0.00 1.43 0.00 0.00 31.44 32.11 2bbx n GLU 32 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2bbx n GLY 33 N 0.02 5.22 3.14 -1.84 0.00 -1.26 -4.99 105.19 105.48 2bbx n GLY 33 Ca 0.04 -1.64 -0.16 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.58 3.41 0.00 0.00 2.01 -1.26 -4.96 115.64 113.27 2bbx s THR 35 Ca -0.03 1.14 0.00 0.00 0.31 0.00 0.00 61.69 63.11 2bbx s THR 35 Cb -0.08 -3.73 0.00 0.00 0.01 0.00 0.00 72.50 68.70 2bbx s THR 35 CO 0.01 0.16 0.48 -1.54 -0.69 0.00 0.00 174.62 173.04 2bbx n SER 36 N 2.82 0.96 -3.71 3.53 3.41 -1.26 -4.87 113.62 114.51 2bbx n SER 36 Ca 0.06 -1.03 -0.12 0.00 -0.26 0.00 0.00 58.87 57.52 2bbx n SER 36 Cb 0.44 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.29 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 -0.03 0.52 0.21 4.33 2.12 -1.26 -1.85 118.70 122.75 2bbx s GLU 37 Ca 0.00 0.71 -0.03 0.00 0.36 0.00 0.00 54.97 56.01 2bbx s GLU 37 Cb 0.00 0.19 -0.03 0.00 0.26 0.00 0.00 34.13 34.55 2bbx s GLU 37 CO 0.00 -0.09 0.18 0.96 -0.54 0.00 0.00 175.26 175.77 2bbx s ILE 38 N 0.58 0.00 0.06 -3.70 -5.25 -1.02 -5.04 121.20 106.83 2bbx s ILE 38 Ca -0.03 -1.91 -0.01 0.00 -0.99 0.00 0.00 60.65 57.71 2bbx s ILE 38 Cb -0.05 -2.46 -0.04 0.00 2.95 0.00 0.00 42.46 42.87 2bbx s ILE 38 CO -0.03 0.00 -0.02 -1.10 -1.79 0.00 0.00 174.94 172.00 2bbx s GLN 39 N -4.13 0.64 0.22 0.37 -0.21 -1.26 -2.77 119.66 112.52 2bbx s GLN 39 Ca 0.37 -1.23 -0.15 0.00 0.02 0.00 0.00 55.36 54.36 2bbx s GLN 39 Cb 0.06 0.22 0.01 0.00 1.00 0.00 0.00 33.01 34.30 2bbx s GLN 39 CO 0.12 -0.13 0.50 -1.83 -2.12 0.00 0.00 175.29 171.83 2bbx s GLU 40 N -3.93 1.45 0.72 2.91 -1.05 -0.64 -5.00 118.70 113.15 2bbx s GLU 40 Ca 0.08 -1.04 -0.14 0.00 -0.15 0.00 0.00 54.97 53.72 2bbx s GLU 40 Cb 0.08 0.50 0.03 0.00 -0.44 0.00 0.00 34.13 34.30 2bbx s GLU 40 CO -0.09 -0.61 1.15 -0.65 0.95 0.00 0.00 175.26 176.02 2bbx s GLN 41 N -3.94 2.34 0.18 -4.83 -0.21 -1.26 -0.83 119.66 111.11 2bbx s GLN 41 Ca 0.14 1.55 -0.01 0.00 0.02 0.00 0.00 55.36 57.07 2bbx s GLN 41 Cb -0.01 -1.88 -0.04 0.00 1.00 0.00 0.00 33.01 32.08 2bbx s GLN 41 CO 0.02 -1.64 0.10 0.00 -2.12 0.00 0.00 175.29 171.65 2bbx s GLU 43 N -4.11 0.74 0.12 0.00 2.12 -1.26 -1.65 118.70 114.65 2bbx s GLU 43 Ca 0.33 -0.75 -0.04 0.00 0.36 0.00 0.00 54.97 54.87 2bbx s GLU 43 Cb 0.07 0.30 -0.03 0.00 0.26 0.00 0.00 34.13 34.74 2bbx s GLU 43 CO 0.08 -0.22 0.12 -1.21 -0.54 0.00 0.00 175.26 173.50 2bbx s GLU 44 N -3.01 0.92 0.00 4.30 0.41 -1.23 -4.95 118.70 115.14 2bbx s GLU 44 Ca -0.02 -1.27 0.00 0.00 -0.41 0.00 0.00 54.97 53.28 2bbx s GLU 44 Cb 0.01 0.29 0.00 0.00 -1.78 0.00 0.00 34.13 32.65 2bbx s GLU 44 CO -0.06 -0.28 0.75 0.39 -0.49 0.00 0.00 175.26 175.57 2bbx n GLU 45 N -0.09 0.00 -3.78 1.61 1.02 -1.26 -4.63 120.64 113.51 2bbx n GLU 45 Ca -0.09 0.36 -0.13 0.00 -0.02 0.00 0.00 57.16 57.29 2bbx n GLU 45 Cb 0.63 -1.30 -0.10 0.00 -0.02 0.00 0.00 31.44 30.65 2bbx n GLU 45 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2bbx s ARG 46 N -2.23 0.44 0.74 3.49 0.52 -1.19 -4.97 118.95 115.75 2bbx s ARG 46 Ca 0.00 0.17 -0.16 0.00 -0.52 0.00 0.00 55.73 55.22 2bbx s ARG 46 Cb 0.00 0.20 -0.02 0.00 0.52 0.00 0.00 34.95 35.65 2bbx s ARG 46 CO 0.00 -0.08 0.59 0.00 0.02 0.00 0.00 175.30 175.83 2bbx s PRO 48 N -2.93 2.62 0.00 0.00 0.04 -1.26 -4.97 135.00 128.50 2bbx s PRO 48 Ca 0.66 1.12 0.12 0.00 0.04 0.00 0.00 61.00 62.94 2bbx s PRO 48 Cb -0.34 -1.94 0.73 0.00 0.04 0.00 0.00 34.50 32.99 2bbx s PRO 48 CO 0.58 -1.36 1.16 -0.35 0.04 0.00 0.00 177.00 177.07