#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bbx h SER 2 N 0.00 0.00 -5.33 1.61 0.02 -2.11 -3.45 113.55 104.28 2bbx h SER 2 Ca 0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 2bbx h SER 2 Cb 0.00 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 62.44 2bbx h SER 2 CO 0.00 0.00 -0.23 0.00 -1.14 0.00 0.00 176.83 175.46 2bbx s ALA 3 N -3.39 0.13 0.06 3.77 0.00 -1.26 -5.19 121.76 115.88 2bbx s ALA 3 Ca 0.04 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 50.91 2bbx s ALA 3 Cb 0.09 1.14 -0.03 0.00 0.00 0.00 0.00 23.12 24.32 2bbx s ALA 3 CO 0.42 -0.80 -0.06 -1.12 0.00 0.00 0.00 175.76 174.21 2bbx s SER 4 N -3.06 0.79 0.00 0.00 0.01 -1.26 -5.09 113.70 105.09 2bbx s SER 4 Ca 0.27 -0.82 0.00 0.00 1.31 0.00 0.00 55.95 56.70 2bbx s SER 4 Cb 0.01 0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.35 2bbx s SER 4 CO 0.10 -0.41 0.94 0.00 0.41 0.00 0.00 173.24 174.28 2bbx n GLY 6 N 0.00 -0.07 3.23 0.00 0.00 -1.26 -1.24 105.19 105.85 2bbx n GLY 6 Ca 0.00 -2.27 -0.13 0.00 0.00 0.00 0.00 46.02 43.62 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 0.87 0.90 1.61 -7.23 -1.26 -5.05 120.40 110.24 2bbx s VAL 7 Ca 0.00 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.05 2bbx s VAL 7 Cb 0.00 -1.90 0.13 0.00 0.56 0.00 0.00 36.38 35.17 2bbx s VAL 7 CO 0.00 -0.69 1.15 0.26 -0.31 0.00 0.00 175.10 175.51 2bbx s TRP 8 N -3.52 2.54 0.05 2.82 0.52 -1.26 -4.61 118.94 115.47 2bbx s TRP 8 Ca 0.18 0.82 0.01 0.00 0.02 0.00 0.00 56.10 57.13 2bbx s TRP 8 Cb 0.05 -3.42 0.01 0.00 -1.15 0.00 0.00 33.47 28.95 2bbx s TRP 8 CO 0.00 -2.30 0.04 -0.25 0.02 0.00 0.00 176.95 174.47 2bbx n ASP 9 N -3.71 1.01 -4.71 2.95 8.00 -1.24 -5.05 116.55 113.81 2bbx n ASP 9 Ca 0.07 -1.17 -0.39 0.00 0.71 0.00 0.00 54.79 54.01 2bbx n ASP 9 Cb 0.60 -0.01 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 -1.84 -0.39 0.00 0.00 177.20 174.97 2bbx n GLU 10 N -0.70 1.47 -1.54 -1.24 0.28 -1.26 -4.93 120.64 112.72 2bbx n GLU 10 Ca 0.00 0.55 -0.30 0.00 -0.16 0.00 0.00 57.16 57.24 2bbx n GLU 10 Cb 0.06 -2.45 0.09 0.00 1.43 0.00 0.00 31.44 30.56 2bbx n GLU 10 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 2bbx s TRP 11 N -1.33 2.86 0.31 -1.84 0.52 -1.26 -4.75 118.94 113.45 2bbx s TRP 11 Ca 0.73 1.20 0.03 0.00 0.02 0.00 0.00 56.10 58.08 2bbx s TRP 11 Cb -0.43 -3.08 -0.03 0.00 -1.15 0.00 0.00 33.47 28.78 2bbx s TRP 11 CO 0.49 -1.70 0.48 -1.12 0.02 0.00 0.00 176.95 175.11 2bbx s SER 12 N -3.87 6.23 0.73 2.95 0.01 -0.44 -5.02 113.70 114.29 2bbx s SER 12 Ca 0.60 0.22 -0.14 0.00 1.31 0.00 0.00 55.95 57.94 2bbx s SER 12 Cb -0.14 -1.83 0.04 0.00 0.21 0.00 0.00 66.02 64.29 2bbx s SER 12 CO 0.54 -0.26 1.15 -2.16 0.41 0.00 0.00 173.24 172.93 2bbx s PRO 13 N -4.19 2.26 0.48 12.44 0.04 -1.26 -4.46 135.00 140.30 2bbx s PRO 13 Ca 0.39 1.55 -0.24 0.00 0.04 0.00 0.00 61.00 62.74 2bbx s PRO 13 Cb -0.09 -1.87 -0.08 0.00 0.04 0.00 0.00 34.50 32.50 2bbx s PRO 13 CO 0.33 -1.70 1.36 0.00 0.04 0.00 0.00 177.00 177.03 2bbx n SER 15 N -0.35 0.00 -4.18 0.00 3.41 -0.26 -4.76 113.62 107.48 2bbx n SER 15 Ca 0.07 0.39 -0.11 0.00 -0.26 0.00 0.00 58.87 58.96 2bbx n SER 15 Cb 0.42 -0.43 -0.10 0.00 -0.26 0.00 0.00 64.21 63.84 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 -2.86 0.25 -0.02 -3.33 -7.23 -1.26 -4.97 120.40 100.98 2bbx s VAL 16 Ca 0.06 -1.93 0.02 0.00 -1.81 0.00 0.00 61.98 58.32 2bbx s VAL 16 Cb 0.06 -2.09 0.03 0.00 0.56 0.00 0.00 36.38 34.95 2bbx s VAL 16 CO 0.17 -0.45 0.80 0.35 -0.31 0.00 0.00 175.10 175.66 2bbx n THR 17 N -0.14 0.45 -1.07 5.32 -2.24 -1.26 -4.82 114.28 110.51 2bbx n THR 17 Ca -0.05 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 2bbx n THR 17 Cb 0.64 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 69.49 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 1.62 3.24 0.00 0.00 -1.24 -4.51 105.19 104.30 2bbx n GLY 19 Ca 0.00 0.17 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 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 4.18 1.16 0.00 1.61 1.02 -1.26 -1.24 119.74 125.21 2bbx s LYS 20 Ca 0.00 -0.98 0.00 0.00 0.02 0.00 0.00 55.97 55.01 2bbx s LYS 20 Cb 0.00 -1.30 0.00 0.00 -0.52 0.00 0.00 37.83 36.01 2bbx s LYS 20 CO 0.00 0.32 0.00 0.41 -0.92 0.00 0.00 175.35 175.16 2bbx n GLY 21 N 1.55 3.34 3.12 -3.33 0.00 -0.47 -4.90 105.19 104.49 2bbx n GLY 21 Ca -0.18 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.24 0.69 0.37 2.61 -4.23 -1.26 -1.01 115.64 112.58 2bbx s THR 22 Ca 0.00 -1.40 0.08 0.00 -1.18 0.00 0.00 61.69 59.20 2bbx s THR 22 Cb 0.00 -1.03 -0.07 0.00 1.34 0.00 0.00 72.50 72.74 2bbx s THR 22 CO 0.00 -0.52 -0.04 0.00 -0.54 0.00 0.00 174.62 173.53 2bbx s ARG 23 N -2.33 1.91 0.19 3.99 1.70 0.21 -1.10 118.95 123.52 2bbx s ARG 23 Ca -0.02 -2.00 -0.10 0.00 -0.47 0.00 0.00 55.73 53.15 2bbx s ARG 23 Cb -0.05 -1.70 -0.01 0.00 -0.57 0.00 0.00 34.95 32.62 2bbx s ARG 23 CO -0.01 0.05 0.33 -1.54 -1.08 0.00 0.00 175.30 173.06 2bbx s SER 24 N -3.67 0.00 0.20 -2.89 1.04 -1.26 -1.44 113.70 105.68 2bbx s SER 24 Ca 0.34 -0.92 -0.20 0.00 0.48 0.00 0.00 55.95 55.65 2bbx s SER 24 Cb 0.05 0.48 0.04 0.00 0.10 0.00 0.00 66.02 66.69 2bbx s SER 24 CO 0.17 -0.96 0.57 0.00 0.98 0.00 0.00 173.24 174.01 2bbx s ARG 25 N -4.00 1.41 0.31 4.02 1.70 -1.12 -1.33 118.95 119.94 2bbx s ARG 25 Ca 0.20 -0.76 0.06 0.00 -0.47 0.00 0.00 55.73 54.76 2bbx s ARG 25 Cb 0.02 0.55 -0.06 0.00 -0.57 0.00 0.00 34.95 34.90 2bbx s ARG 25 CO 0.04 -0.61 -0.03 0.15 -1.08 0.00 0.00 175.30 173.77 2bbx s LYS 26 N -3.84 1.63 0.20 3.89 1.02 -1.26 -2.36 119.74 119.01 2bbx s LYS 26 Ca 0.07 -1.85 -0.15 0.00 0.02 0.00 0.00 55.97 54.05 2bbx s LYS 26 Cb -0.02 -1.16 0.02 0.00 -0.52 0.00 0.00 37.83 36.15 2bbx s LYS 26 CO -0.05 -0.02 0.48 -0.98 -0.92 0.00 0.00 175.35 173.86 2bbx s ARG 27 N -3.76 1.37 -1.13 1.68 1.70 -1.03 -3.62 118.95 114.17 2bbx s ARG 27 Ca 0.32 -0.98 -0.12 0.00 -0.47 0.00 0.00 55.73 54.48 2bbx s ARG 27 Cb 0.05 0.49 0.23 0.00 -0.57 0.00 0.00 34.95 35.15 2bbx s ARG 27 CO 0.13 -0.57 1.22 -1.21 -1.08 0.00 0.00 175.30 173.79 2bbx s GLU 28 N -3.91 4.10 0.22 3.89 2.02 -1.26 -4.85 118.70 118.91 2bbx s GLU 28 Ca 0.12 -2.87 -0.32 0.00 0.02 0.00 0.00 54.97 51.92 2bbx s GLU 28 Cb -0.00 -4.76 -0.14 0.00 0.10 0.00 0.00 34.13 29.33 2bbx s GLU 28 CO -0.00 -1.47 1.30 0.44 0.02 0.00 0.00 175.26 175.54 2bbx n ILE 29 N 3.62 0.99 0.22 -1.63 -5.35 -1.26 -4.86 119.36 111.09 2bbx n ILE 29 Ca 0.28 -0.25 0.11 0.00 -0.27 0.00 0.00 62.75 62.62 2bbx n ILE 29 Cb 0.41 -1.22 0.39 0.00 -1.74 0.00 0.00 39.64 37.49 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 3.77 0.00 -8.15 7.28 3.38 -1.57 -3.45 115.31 116.57 2bbx h LEU 30 Ca -0.44 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.34 2bbx h LEU 30 Cb 1.30 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.86 2bbx h LEU 30 CO 0.73 0.17 -0.70 -1.00 0.09 0.00 0.00 178.44 177.72 2bbx s HIS 31 N -3.47 0.51 0.33 1.13 3.76 -1.26 -5.07 115.29 111.21 2bbx s HIS 31 Ca 0.02 -0.69 0.34 0.00 -0.15 0.00 0.00 55.06 54.59 2bbx s HIS 31 Cb 0.08 -0.33 1.62 0.00 1.11 0.00 0.00 32.58 35.07 2bbx s HIS 31 CO 0.64 -0.20 2.09 1.49 -0.85 0.00 0.00 174.74 177.91 2bbx h GLU 32 N 4.06 0.00 -1.23 1.40 4.81 -2.00 -3.26 114.58 118.36 2bbx h GLU 32 Ca -0.34 0.00 -0.45 0.00 -0.13 0.00 0.00 59.36 58.44 2bbx h GLU 32 Cb 1.19 0.00 -0.21 0.00 0.63 0.00 0.00 28.75 30.36 2bbx h GLU 32 CO 0.49 0.05 0.58 0.41 -0.73 0.00 0.00 179.01 179.82 2bbx n GLY 33 N -0.43 4.61 3.13 1.92 0.00 -1.26 -4.93 105.19 108.23 2bbx n GLY 33 Ca -0.01 -1.42 -0.13 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.25 3.58 0.00 0.00 2.01 -1.26 -4.96 115.64 112.77 2bbx s THR 35 Ca 0.00 1.26 0.00 0.00 0.31 0.00 0.00 61.69 63.26 2bbx s THR 35 Cb -0.04 -3.80 0.00 0.00 0.01 0.00 0.00 72.50 68.67 2bbx s THR 35 CO -0.01 0.17 0.67 -1.54 -0.69 0.00 0.00 174.62 173.22 2bbx n SER 36 N 2.98 1.24 -3.71 3.53 3.41 -1.26 -4.88 113.62 114.94 2bbx n SER 36 Ca 0.06 -1.44 -0.11 0.00 -0.26 0.00 0.00 58.87 57.12 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 -0.44 0.45 0.23 4.33 2.12 -1.26 -2.45 118.70 121.68 2bbx s GLU 37 Ca 0.00 0.73 -0.03 0.00 0.36 0.00 0.00 54.97 56.03 2bbx s GLU 37 Cb 0.00 0.09 -0.03 0.00 0.26 0.00 0.00 34.13 34.45 2bbx s GLU 37 CO 0.00 -0.12 0.23 0.96 -0.54 0.00 0.00 175.26 175.79 2bbx s ILE 38 N 0.94 0.00 0.09 -3.70 -5.25 -0.99 -5.04 121.20 107.24 2bbx s ILE 38 Ca -0.06 -1.87 0.01 0.00 -0.99 0.00 0.00 60.65 57.75 2bbx s ILE 38 Cb -0.06 -2.45 -0.04 0.00 2.95 0.00 0.00 42.46 42.86 2bbx s ILE 38 CO -0.08 0.00 -0.06 -1.10 -1.79 0.00 0.00 174.94 171.91 2bbx s GLN 39 N -4.01 0.77 0.06 0.37 -0.21 -1.26 -2.78 119.66 112.60 2bbx s GLN 39 Ca 0.36 -1.27 -0.06 0.00 0.02 0.00 0.00 55.36 54.41 2bbx s GLN 39 Cb 0.05 -0.14 -0.01 0.00 1.00 0.00 0.00 33.01 33.90 2bbx s GLN 39 CO 0.13 -0.03 0.11 -1.21 -2.12 0.00 0.00 175.29 172.17 2bbx s GLU 40 N -3.67 0.70 0.52 2.91 0.41 -0.52 -5.00 118.70 114.05 2bbx s GLU 40 Ca 0.09 -0.94 -0.22 0.00 -0.41 0.00 0.00 54.97 53.50 2bbx s GLU 40 Cb 0.05 0.27 -0.06 0.00 -1.78 0.00 0.00 34.13 32.61 2bbx s GLU 40 CO -0.05 -0.19 1.28 -1.14 -0.49 0.00 0.00 175.26 174.67 2bbx s GLN 41 N -3.40 3.35 0.07 1.61 2.00 -1.26 -0.62 119.66 121.42 2bbx s GLN 41 Ca 0.02 2.05 0.01 0.00 -2.00 0.00 0.00 55.36 55.43 2bbx s GLN 41 Cb 0.03 -2.29 -0.04 0.00 0.80 0.00 0.00 33.01 31.51 2bbx s GLN 41 CO -0.08 -0.96 -0.05 0.00 -0.50 0.00 0.00 175.29 173.69 2bbx s GLU 43 N -3.54 0.12 0.15 0.00 2.02 -1.26 -1.37 118.70 114.82 2bbx s GLU 43 Ca 0.07 0.06 -0.01 0.00 0.02 0.00 0.00 54.97 55.11 2bbx s GLU 43 Cb 0.04 0.05 -0.04 0.00 0.10 0.00 0.00 34.13 34.28 2bbx s GLU 43 CO -0.06 -0.02 0.08 -1.21 0.02 0.00 0.00 175.26 174.07 2bbx s GLU 44 N -0.07 1.01 0.98 1.61 0.41 -0.38 -5.02 118.70 117.25 2bbx s GLU 44 Ca -0.01 -1.50 -0.17 0.00 -0.41 0.00 0.00 54.97 52.88 2bbx s GLU 44 Cb -0.01 0.24 0.24 0.00 -1.78 0.00 0.00 34.13 32.82 2bbx s GLU 44 CO 0.00 -0.30 0.90 0.39 -0.49 0.00 0.00 175.26 175.77 2bbx n GLU 45 N -0.15 -2.62 -0.64 1.61 -0.58 -1.26 -4.18 120.64 112.82 2bbx n GLU 45 Ca -0.03 -1.44 -0.31 0.00 -0.42 0.00 0.00 57.16 54.96 2bbx n GLU 45 Cb 0.64 -1.31 0.18 0.00 -0.57 0.00 0.00 31.44 30.38 2bbx n GLU 45 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2bbx n ARG 46 N -4.15 -0.98 -1.55 3.49 1.74 -1.26 -3.51 116.66 110.45 2bbx n ARG 46 Ca 0.12 -0.23 -0.41 0.00 -0.77 0.00 0.00 57.85 56.57 2bbx n ARG 46 Cb 0.48 -2.23 0.02 0.00 -1.02 0.00 0.00 32.46 29.70 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 0.09 0.06 0.00 0.00 -0.02 -1.26 -5.04 135.00 128.84 2bbx n PRO 48 Ca 0.11 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 2bbx n PRO 48 Cb 0.41 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 2bbx n PRO 48 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18