#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 -0.12 0.82 1.61 1.04 -1.26 -5.18 113.70 110.62 2bbx s SER 2 Ca 0.00 -0.75 -0.11 0.00 0.48 0.00 0.00 55.95 55.57 2bbx s SER 2 Cb 0.00 0.54 0.09 0.00 0.10 0.00 0.00 66.02 66.75 2bbx s SER 2 CO 0.00 -1.04 1.13 0.00 0.98 0.00 0.00 173.24 174.31 2bbx s ALA 3 N -3.95 1.93 0.17 5.32 0.00 -1.26 -5.09 121.76 118.88 2bbx s ALA 3 Ca 0.16 0.49 -0.22 0.00 0.00 0.00 0.00 51.96 52.39 2bbx s ALA 3 Cb 0.00 -3.37 0.06 0.00 0.00 0.00 0.00 23.12 19.81 2bbx s ALA 3 CO 0.02 -2.17 0.59 -1.12 0.00 0.00 0.00 175.76 173.08 2bbx s SER 4 N -2.89 -0.49 0.00 0.00 0.01 -1.26 -5.09 113.70 103.99 2bbx s SER 4 Ca 0.65 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.79 2bbx s SER 4 Cb -0.21 0.60 0.00 0.00 0.21 0.00 0.00 66.02 66.62 2bbx s SER 4 CO 0.55 -1.00 0.42 0.00 0.41 0.00 0.00 173.24 173.62 2bbx n GLY 6 N -0.08 -1.02 3.27 0.00 0.00 -1.26 -1.47 105.19 104.62 2bbx n GLY 6 Ca 0.00 -2.14 -0.15 0.00 0.00 0.00 0.00 46.02 43.73 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 0.00 1.03 0.94 1.61 -7.23 -1.26 -5.06 120.40 110.43 2bbx s VAL 7 Ca 0.00 -2.03 -0.12 0.00 -1.81 0.00 0.00 61.98 58.01 2bbx s VAL 7 Cb 0.00 -2.04 0.15 0.00 0.56 0.00 0.00 36.38 35.06 2bbx s VAL 7 CO 0.00 -0.58 1.12 0.26 -0.31 0.00 0.00 175.10 175.59 2bbx s TRP 8 N -3.42 2.38 0.18 2.82 0.52 -1.26 -4.66 118.94 115.50 2bbx s TRP 8 Ca 0.21 0.92 0.02 0.00 0.02 0.00 0.00 56.10 57.27 2bbx s TRP 8 Cb 0.04 -3.33 0.02 0.00 -1.15 0.00 0.00 33.47 29.05 2bbx s TRP 8 CO 0.03 -2.53 0.18 -0.25 0.02 0.00 0.00 176.95 174.40 2bbx n ASP 9 N -3.90 1.15 -4.73 2.95 8.00 -1.23 -5.05 116.55 113.74 2bbx n ASP 9 Ca 0.06 -1.54 -0.37 0.00 0.71 0.00 0.00 54.79 53.65 2bbx n ASP 9 Cb 0.58 -0.06 0.06 0.00 -0.02 0.00 0.00 41.12 41.68 2bbx n ASP 9 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 2bbx s GLU 10 N -2.75 2.63 0.74 -1.24 -1.05 -1.26 -4.93 118.70 110.84 2bbx s GLU 10 Ca 0.14 2.08 -0.11 0.00 -0.15 0.00 0.00 54.97 56.92 2bbx s GLU 10 Cb -0.01 -1.89 0.04 0.00 -0.44 0.00 0.00 34.13 31.82 2bbx s GLU 10 CO 0.09 -1.54 1.08 -1.58 0.95 0.00 0.00 175.26 174.26 2bbx s TRP 11 N -1.39 3.05 0.38 4.83 0.52 -1.26 -4.75 118.94 120.32 2bbx s TRP 11 Ca 0.81 1.22 0.02 0.00 0.02 0.00 0.00 56.10 58.17 2bbx s TRP 11 Cb -0.38 -3.02 -0.02 0.00 -1.15 0.00 0.00 33.47 28.91 2bbx s TRP 11 CO 0.40 -1.45 0.57 -1.12 0.02 0.00 0.00 176.95 175.38 2bbx s SER 12 N -3.97 6.07 0.81 2.95 0.01 -0.41 -5.02 113.70 114.14 2bbx s SER 12 Ca 0.59 0.27 -0.11 0.00 1.31 0.00 0.00 55.95 58.01 2bbx s SER 12 Cb -0.13 -1.71 0.08 0.00 0.21 0.00 0.00 66.02 64.47 2bbx s SER 12 CO 0.54 -0.46 1.12 -2.16 0.41 0.00 0.00 173.24 172.69 2bbx s PRO 13 N -4.37 1.89 0.47 12.44 0.04 -1.26 -4.51 135.00 139.71 2bbx s PRO 13 Ca 0.44 1.33 -0.24 0.00 0.04 0.00 0.00 61.00 62.57 2bbx s PRO 13 Cb -0.10 -1.84 -0.07 0.00 0.04 0.00 0.00 34.50 32.53 2bbx s PRO 13 CO 0.36 -1.94 1.35 0.00 0.04 0.00 0.00 177.00 176.81 2bbx n SER 15 N -0.42 0.00 -4.20 0.00 3.41 -0.45 -4.78 113.62 107.18 2bbx n SER 15 Ca 0.07 0.28 -0.12 0.00 -0.26 0.00 0.00 58.87 58.84 2bbx n SER 15 Cb 0.44 -0.38 -0.10 0.00 -0.26 0.00 0.00 64.21 63.91 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 -2.76 0.31 -0.04 -3.33 -7.23 -1.26 -4.97 120.40 101.13 2bbx s VAL 16 Ca 0.09 -1.95 0.05 0.00 -1.81 0.00 0.00 61.98 58.36 2bbx s VAL 16 Cb 0.08 -2.19 0.08 0.00 0.56 0.00 0.00 36.38 34.91 2bbx s VAL 16 CO 0.19 -0.36 1.02 0.35 -0.31 0.00 0.00 175.10 175.99 2bbx n THR 17 N -0.20 0.54 -0.40 5.32 -2.24 -1.26 -4.81 114.28 111.22 2bbx n THR 17 Ca -0.04 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 2bbx n THR 17 Cb 0.64 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 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 0.00 0.19 3.07 0.00 0.00 -1.24 -4.32 105.19 102.88 2bbx n GLY 19 Ca 0.00 0.51 -0.14 0.00 0.00 0.00 0.00 46.02 46.39 2bbx n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bbx s LYS 20 N 2.33 0.56 0.00 1.61 -2.85 -1.26 -0.95 119.74 119.18 2bbx s LYS 20 Ca 0.00 -0.73 0.00 0.00 -1.00 0.00 0.00 55.97 54.24 2bbx s LYS 20 Cb 0.00 -0.37 0.00 0.00 -2.06 0.00 0.00 37.83 35.40 2bbx s LYS 20 CO 0.00 0.07 0.00 0.41 0.10 0.00 0.00 175.35 175.93 2bbx n GLY 21 N 1.57 3.41 3.10 0.59 0.00 -0.41 -4.89 105.19 108.56 2bbx n GLY 21 Ca -0.22 -0.19 -0.12 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.11 0.59 0.32 2.61 -4.23 -1.26 -1.17 115.64 112.39 2bbx s THR 22 Ca 0.00 -1.40 0.08 0.00 -1.18 0.00 0.00 61.69 59.19 2bbx s THR 22 Cb 0.00 -1.00 -0.06 0.00 1.34 0.00 0.00 72.50 72.77 2bbx s THR 22 CO 0.00 -0.57 -0.06 0.00 -0.54 0.00 0.00 174.62 173.46 2bbx s ARG 23 N -2.42 1.70 0.19 3.99 1.70 0.02 -1.34 118.95 122.79 2bbx s ARG 23 Ca -0.02 -1.88 -0.06 0.00 -0.47 0.00 0.00 55.73 53.30 2bbx s ARG 23 Cb -0.04 -1.39 -0.02 0.00 -0.57 0.00 0.00 34.95 32.93 2bbx s ARG 23 CO -0.02 0.05 0.24 -1.54 -1.08 0.00 0.00 175.30 172.96 2bbx s SER 24 N -3.53 0.08 0.14 -2.89 1.04 -1.26 -1.78 113.70 105.51 2bbx s SER 24 Ca 0.32 -1.12 -0.19 0.00 0.48 0.00 0.00 55.95 55.43 2bbx s SER 24 Cb 0.04 0.43 0.05 0.00 0.10 0.00 0.00 66.02 66.64 2bbx s SER 24 CO 0.14 -0.91 0.49 0.00 0.98 0.00 0.00 173.24 173.94 2bbx s ARG 25 N -4.06 1.18 0.35 4.02 1.70 -1.14 -1.28 118.95 119.71 2bbx s ARG 25 Ca 0.28 -0.62 0.09 0.00 -0.47 0.00 0.00 55.73 55.00 2bbx s ARG 25 Cb 0.04 0.52 -0.06 0.00 -0.57 0.00 0.00 34.95 34.88 2bbx s ARG 25 CO 0.07 -0.49 -0.01 0.15 -1.08 0.00 0.00 175.30 173.94 2bbx s LYS 26 N -3.79 1.99 0.14 3.89 1.02 -1.26 -2.51 119.74 119.22 2bbx s LYS 26 Ca 0.03 -1.86 -0.16 0.00 0.02 0.00 0.00 55.97 54.00 2bbx s LYS 26 Cb 0.00 -1.83 0.03 0.00 -0.52 0.00 0.00 37.83 35.52 2bbx s LYS 26 CO -0.12 0.10 0.42 -0.98 -0.92 0.00 0.00 175.35 173.85 2bbx s ARG 27 N -3.69 1.14 -1.18 1.68 1.70 -0.80 -3.51 118.95 114.27 2bbx s ARG 27 Ca 0.34 -0.75 -0.12 0.00 -0.47 0.00 0.00 55.73 54.73 2bbx s ARG 27 Cb 0.02 0.48 0.20 0.00 -0.57 0.00 0.00 34.95 35.08 2bbx s ARG 27 CO 0.18 -0.45 1.34 0.39 -1.08 0.00 0.00 175.30 175.69 2bbx n GLU 28 N -0.25 3.43 -1.63 3.89 1.02 -1.26 -4.82 120.64 121.01 2bbx n GLU 28 Ca -0.14 -4.04 -0.47 0.00 -0.02 0.00 0.00 57.16 52.49 2bbx n GLU 28 Cb 0.63 -2.89 -0.04 0.00 -0.02 0.00 0.00 31.44 29.13 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 4.00 0.76 0.19 -3.67 -5.35 -1.26 -4.87 119.36 109.17 2bbx n ILE 29 Ca 0.33 -0.19 0.08 0.00 -0.27 0.00 0.00 62.75 62.69 2bbx n ILE 29 Cb 0.41 -1.18 0.27 0.00 -1.74 0.00 0.00 39.64 37.40 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 4.07 0.00 -8.04 7.28 3.38 -1.61 -3.46 115.31 116.92 2bbx h LEU 30 Ca -0.44 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.39 2bbx h LEU 30 Cb 1.30 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.88 2bbx h LEU 30 CO 0.75 0.29 -0.63 -1.00 0.09 0.00 0.00 178.44 177.95 2bbx s HIS 31 N -3.35 0.33 -0.85 1.13 3.76 -1.26 -5.07 115.29 109.98 2bbx s HIS 31 Ca 0.03 -0.72 0.18 0.00 -0.15 0.00 0.00 55.06 54.40 2bbx s HIS 31 Cb 0.09 -0.24 0.75 0.00 1.11 0.00 0.00 32.58 34.29 2bbx s HIS 31 CO 0.68 -0.33 1.56 -0.85 -0.85 0.00 0.00 174.74 174.95 2bbx n GLU 32 N 0.74 0.06 -0.87 1.40 0.28 -1.26 -3.42 120.64 117.57 2bbx n GLU 32 Ca -0.18 0.29 -0.06 0.00 -0.16 0.00 0.00 57.16 57.05 2bbx n GLU 32 Cb 0.59 -1.61 0.25 0.00 1.43 0.00 0.00 31.44 32.10 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 0.09 3.32 3.02 -1.84 0.00 -1.26 -4.94 105.19 103.58 2bbx n GLY 33 Ca 0.03 -0.82 -0.12 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.28 3.16 -0.22 0.00 2.01 -1.26 -4.97 115.64 113.08 2bbx s THR 35 Ca -0.11 1.02 0.02 0.00 0.31 0.00 0.00 61.69 62.93 2bbx s THR 35 Cb -0.09 -3.65 0.01 0.00 0.01 0.00 0.00 72.50 68.77 2bbx s THR 35 CO -0.00 0.19 0.44 -1.54 -0.69 0.00 0.00 174.62 173.01 2bbx n SER 36 N 2.03 0.89 -3.71 3.53 3.41 -1.26 -4.88 113.62 113.63 2bbx n SER 36 Ca 0.04 -0.95 -0.12 0.00 -0.26 0.00 0.00 58.87 57.58 2bbx n SER 36 Cb 0.43 0.26 -0.10 0.00 -0.26 0.00 0.00 64.21 64.54 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 -0.44 0.50 0.23 4.33 2.12 -1.26 -1.91 118.70 122.26 2bbx s GLU 37 Ca 0.02 0.71 -0.01 0.00 0.36 0.00 0.00 54.97 56.05 2bbx s GLU 37 Cb 0.02 0.16 -0.03 0.00 0.26 0.00 0.00 34.13 34.54 2bbx s GLU 37 CO 0.04 -0.10 0.21 0.96 -0.54 0.00 0.00 175.26 175.83 2bbx s ILE 38 N 0.67 0.00 0.06 -3.70 -5.25 -1.04 -5.04 121.20 106.90 2bbx s ILE 38 Ca -0.04 -1.91 -0.02 0.00 -0.99 0.00 0.00 60.65 57.69 2bbx s ILE 38 Cb -0.05 -2.47 -0.03 0.00 2.95 0.00 0.00 42.46 42.86 2bbx s ILE 38 CO -0.05 0.00 0.01 -1.10 -1.79 0.00 0.00 174.94 172.02 2bbx s GLN 39 N -3.98 0.66 0.15 0.37 -0.21 -1.26 -2.90 119.66 112.49 2bbx s GLN 39 Ca 0.37 -1.18 -0.13 0.00 0.02 0.00 0.00 55.36 54.44 2bbx s GLN 39 Cb 0.05 0.24 0.01 0.00 1.00 0.00 0.00 33.01 34.31 2bbx s GLN 39 CO 0.14 -0.14 0.36 -1.83 -2.12 0.00 0.00 175.29 171.70 2bbx s GLU 40 N -3.91 1.14 0.65 2.91 -1.05 -0.73 -5.01 118.70 112.70 2bbx s GLU 40 Ca 0.07 -0.95 -0.17 0.00 -0.15 0.00 0.00 54.97 53.77 2bbx s GLU 40 Cb 0.07 0.43 -0.01 0.00 -0.44 0.00 0.00 34.13 34.19 2bbx s GLU 40 CO -0.10 -0.44 1.21 -0.65 0.95 0.00 0.00 175.26 176.24 2bbx s GLN 41 N -3.89 2.63 0.06 -4.83 -0.21 -1.26 -0.80 119.66 111.36 2bbx s GLN 41 Ca 0.10 1.81 -0.02 0.00 0.02 0.00 0.00 55.36 57.26 2bbx s GLN 41 Cb 0.02 -1.89 -0.03 0.00 1.00 0.00 0.00 33.01 32.11 2bbx s GLN 41 CO -0.05 -1.47 0.00 0.00 -2.12 0.00 0.00 175.29 171.65 2bbx s GLU 43 N -3.92 0.32 0.20 0.00 2.02 -1.26 -1.29 118.70 114.77 2bbx s GLU 43 Ca 0.08 -0.51 -0.04 0.00 0.02 0.00 0.00 54.97 54.52 2bbx s GLU 43 Cb 0.08 0.12 -0.03 0.00 0.10 0.00 0.00 34.13 34.40 2bbx s GLU 43 CO -0.09 -0.06 0.20 -1.21 0.02 0.00 0.00 175.26 174.11 2bbx s GLU 44 N -1.31 1.23 1.28 1.61 0.41 -0.12 -5.01 118.70 116.79 2bbx s GLU 44 Ca -0.14 -1.50 -0.20 0.00 -0.41 0.00 0.00 54.97 52.71 2bbx s GLU 44 Cb -0.09 0.31 0.32 0.00 -1.78 0.00 0.00 34.13 32.89 2bbx s GLU 44 CO -0.00 -0.42 1.05 -1.83 -0.49 0.00 0.00 175.26 173.56 2bbx s GLU 45 N -4.11 -1.84 0.98 1.61 -1.05 -1.26 -4.07 118.70 108.97 2bbx s GLU 45 Ca 0.32 0.01 -0.11 0.00 -0.15 0.00 0.00 54.97 55.04 2bbx s GLU 45 Cb 0.05 -1.52 0.16 0.00 -0.44 0.00 0.00 34.13 32.39 2bbx s GLU 45 CO 0.09 -4.13 0.99 0.54 0.95 0.00 0.00 175.26 173.70 2bbx n ARG 46 N -5.07 -0.88 -1.43 -4.83 1.74 -1.26 -3.25 116.66 101.68 2bbx n ARG 46 Ca 0.13 -0.20 -0.37 0.00 -0.77 0.00 0.00 57.85 56.63 2bbx n ARG 46 Cb 0.60 -2.25 0.05 0.00 -1.02 0.00 0.00 32.46 29.84 2bbx n ARG 46 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2bbx s PRO 48 N -2.53 2.70 0.00 0.00 0.04 -1.26 -5.04 135.00 128.91 2bbx s PRO 48 Ca 0.70 1.08 0.12 0.00 0.04 0.00 0.00 61.00 62.93 2bbx s PRO 48 Cb -0.40 -1.96 0.71 0.00 0.04 0.00 0.00 34.50 32.90 2bbx s PRO 48 CO 0.53 -1.29 1.14 -0.35 0.04 0.00 0.00 177.00 177.07