#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 0.30 0.22 1.61 0.01 -1.26 -5.19 113.70 109.40 2bbx s SER 2 Ca 0.00 -0.76 -0.13 0.00 1.31 0.00 0.00 55.95 56.38 2bbx s SER 2 Cb 0.00 0.23 -0.00 0.00 0.21 0.00 0.00 66.02 66.46 2bbx s SER 2 CO 0.00 -0.58 0.44 0.00 0.41 0.00 0.00 173.24 173.50 2bbx s ALA 3 N -3.37 -0.29 0.19 1.44 0.00 -1.26 -5.20 121.76 113.27 2bbx s ALA 3 Ca 0.02 -0.77 -0.14 0.00 0.00 0.00 0.00 51.96 51.06 2bbx s ALA 3 Cb 0.04 0.99 0.01 0.00 0.00 0.00 0.00 23.12 24.16 2bbx s ALA 3 CO -0.08 -0.79 0.45 -1.54 0.00 0.00 0.00 175.76 173.79 2bbx s SER 4 N -2.98 -0.15 0.00 0.00 1.04 -1.26 -5.06 113.70 105.29 2bbx s SER 4 Ca 0.19 -0.64 0.29 0.00 0.48 0.00 0.00 55.95 56.27 2bbx s SER 4 Cb 0.00 0.54 1.26 0.00 0.10 0.00 0.00 66.02 67.92 2bbx s SER 4 CO 0.05 -1.01 1.88 0.00 0.98 0.00 0.00 173.24 175.13 2bbx n GLY 6 N 1.24 -0.62 3.32 0.00 0.00 -1.26 -1.01 105.19 106.86 2bbx n GLY 6 Ca 0.16 -2.14 -0.17 0.00 0.00 0.00 0.00 46.02 43.87 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 1.24 0.81 1.61 -7.23 -1.26 -5.06 120.40 110.51 2bbx s VAL 7 Ca 0.00 -2.08 -0.12 0.00 -1.81 0.00 0.00 61.98 57.97 2bbx s VAL 7 Cb 0.00 -2.15 0.08 0.00 0.56 0.00 0.00 36.38 34.87 2bbx s VAL 7 CO 0.00 -0.50 1.14 0.26 -0.31 0.00 0.00 175.10 175.69 2bbx s TRP 8 N -3.28 2.92 0.35 2.82 0.52 -1.26 -4.64 118.94 116.37 2bbx s TRP 8 Ca 0.24 0.90 0.03 0.00 0.02 0.00 0.00 56.10 57.28 2bbx s TRP 8 Cb 0.04 -3.32 0.06 0.00 -1.15 0.00 0.00 33.47 29.10 2bbx s TRP 8 CO 0.06 -1.78 0.48 -3.47 0.02 0.00 0.00 176.95 172.26 2bbx n ASP 9 N -3.37 0.97 -4.75 2.95 2.03 -1.21 -5.04 116.55 108.13 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 -0.28 0.02 0.00 -0.72 0.00 0.00 41.12 40.72 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 -1.83 2.19 -1.16 -0.67 1.02 -1.26 -4.94 120.64 113.99 2bbx n GLU 10 Ca 0.09 0.78 -0.31 0.00 -0.02 0.00 0.00 57.16 57.70 2bbx n GLU 10 Cb 0.32 -2.58 0.11 0.00 -0.02 0.00 0.00 31.44 29.27 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 -1.19 2.39 0.30 -0.32 0.52 -1.26 -4.79 118.94 114.59 2bbx s TRP 11 Ca 0.61 1.54 0.04 0.00 0.02 0.00 0.00 56.10 58.31 2bbx s TRP 11 Cb -0.46 -3.10 -0.03 0.00 -1.15 0.00 0.00 33.47 28.73 2bbx s TRP 11 CO 0.58 -2.05 0.45 -1.12 0.02 0.00 0.00 176.95 174.83 2bbx s SER 12 N -3.29 6.23 0.75 2.95 0.01 -0.57 -5.03 113.70 114.74 2bbx s SER 12 Ca 0.62 0.15 -0.13 0.00 1.31 0.00 0.00 55.95 57.90 2bbx s SER 12 Cb -0.18 -1.79 0.05 0.00 0.21 0.00 0.00 66.02 64.31 2bbx s SER 12 CO 0.57 -0.23 1.14 -2.16 0.41 0.00 0.00 173.24 172.97 2bbx s PRO 13 N -4.14 2.19 0.75 12.44 0.04 -1.26 -4.46 135.00 140.56 2bbx s PRO 13 Ca 0.38 1.49 -0.11 0.00 0.04 0.00 0.00 61.00 62.80 2bbx s PRO 13 Cb -0.09 -1.87 0.04 0.00 0.04 0.00 0.00 34.50 32.63 2bbx s PRO 13 CO 0.32 -1.74 1.09 0.00 0.04 0.00 0.00 177.00 176.71 2bbx n SER 15 N -3.33 0.22 -4.16 0.00 3.41 0.04 -4.73 113.62 105.06 2bbx n SER 15 Ca 0.09 0.59 -0.16 0.00 -0.26 0.00 0.00 58.87 59.13 2bbx n SER 15 Cb 0.53 -0.62 -0.10 0.00 -0.26 0.00 0.00 64.21 63.76 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 -3.18 0.29 0.00 -3.33 -7.23 -1.26 -4.99 120.40 100.70 2bbx s VAL 16 Ca 0.01 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.18 2bbx s VAL 16 Cb 0.05 -2.56 0.00 0.00 0.56 0.00 0.00 36.38 34.43 2bbx s VAL 16 CO 0.15 0.00 0.73 0.35 -0.31 0.00 0.00 175.10 176.02 2bbx n THR 17 N -0.43 0.48 -0.81 5.32 -2.24 -1.26 -4.84 114.28 110.49 2bbx n THR 17 Ca 0.01 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 2bbx n THR 17 Cb 0.66 0.78 0.00 0.00 -2.10 0.00 0.00 70.33 69.66 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 2.33 3.78 0.00 0.00 -1.23 -4.32 105.19 105.75 2bbx n GLY 19 Ca 0.00 -0.57 -0.36 0.00 0.00 0.00 0.00 46.02 45.09 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 1.41 4.16 0.00 1.61 3.01 -1.26 -1.74 119.74 126.93 2bbx s LYS 20 Ca 0.00 1.49 0.00 0.00 -1.01 0.00 0.00 55.97 56.45 2bbx s LYS 20 Cb 0.00 -2.52 0.00 0.00 -1.01 0.00 0.00 37.83 34.30 2bbx s LYS 20 CO 0.00 -0.14 0.00 0.41 0.51 0.00 0.00 175.35 176.13 2bbx n GLY 21 N 0.29 1.89 3.02 -3.33 0.00 -1.16 -4.88 105.19 101.01 2bbx n GLY 21 Ca 0.05 -0.22 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.48 0.27 0.31 2.61 -4.23 -1.26 -0.71 115.64 112.14 2bbx s THR 22 Ca 0.00 -1.07 0.03 0.00 -1.18 0.00 0.00 61.69 59.47 2bbx s THR 22 Cb 0.00 -0.51 -0.05 0.00 1.34 0.00 0.00 72.50 73.28 2bbx s THR 22 CO 0.00 -0.52 0.11 0.00 -0.54 0.00 0.00 174.62 173.67 2bbx s ARG 23 N -1.78 1.61 0.23 3.99 1.70 0.02 -0.78 118.95 123.93 2bbx s ARG 23 Ca -0.11 -1.91 -0.12 0.00 -0.47 0.00 0.00 55.73 53.12 2bbx s ARG 23 Cb -0.08 -0.44 -0.01 0.00 -0.57 0.00 0.00 34.95 33.85 2bbx s ARG 23 CO -0.01 -0.33 0.44 -1.54 -1.08 0.00 0.00 175.30 172.77 2bbx s SER 24 N -3.42 -0.07 0.14 -2.89 1.04 -1.26 -1.60 113.70 105.63 2bbx s SER 24 Ca 0.35 -0.94 -0.22 0.00 0.48 0.00 0.00 55.95 55.62 2bbx s SER 24 Cb 0.07 0.56 0.06 0.00 0.10 0.00 0.00 66.02 66.81 2bbx s SER 24 CO 0.15 -1.09 0.56 0.00 0.98 0.00 0.00 173.24 173.83 2bbx s ARG 25 N -4.02 1.21 0.36 4.02 1.70 -1.07 -1.52 118.95 119.64 2bbx s ARG 25 Ca 0.23 -0.48 0.08 0.00 -0.47 0.00 0.00 55.73 55.09 2bbx s ARG 25 Cb 0.00 0.55 -0.05 0.00 -0.57 0.00 0.00 34.95 34.88 2bbx s ARG 25 CO 0.08 -0.51 0.08 0.15 -1.08 0.00 0.00 175.30 174.02 2bbx s LYS 26 N -3.59 2.17 0.28 3.89 1.02 -1.26 -2.09 119.74 120.16 2bbx s LYS 26 Ca 0.01 -1.75 -0.12 0.00 0.02 0.00 0.00 55.97 54.13 2bbx s LYS 26 Cb -0.00 -1.98 0.00 0.00 -0.52 0.00 0.00 37.83 35.33 2bbx s LYS 26 CO -0.11 0.06 0.53 -0.98 -0.92 0.00 0.00 175.35 173.92 2bbx s ARG 27 N -3.79 1.70 -0.82 1.68 1.70 -0.61 -3.29 118.95 115.52 2bbx s ARG 27 Ca 0.37 -1.34 -0.03 0.00 -0.47 0.00 0.00 55.73 54.26 2bbx s ARG 27 Cb 0.01 0.49 0.20 0.00 -0.57 0.00 0.00 34.95 35.09 2bbx s ARG 27 CO 0.21 -0.72 0.69 -1.21 -1.08 0.00 0.00 175.30 173.18 2bbx s GLU 28 N -3.66 3.11 0.09 3.89 2.02 -1.26 -4.84 118.70 118.04 2bbx s GLU 28 Ca 0.22 -3.05 -0.36 0.00 0.02 0.00 0.00 54.97 51.80 2bbx s GLU 28 Cb -0.01 -3.92 -0.16 0.00 0.10 0.00 0.00 34.13 30.14 2bbx s GLU 28 CO 0.11 -1.24 1.40 0.44 0.02 0.00 0.00 175.26 175.99 2bbx n ILE 29 N 2.69 0.01 0.26 -1.63 -5.35 -1.26 -4.89 119.36 109.19 2bbx n ILE 29 Ca 0.18 -0.00 0.15 0.00 -0.27 0.00 0.00 62.75 62.80 2bbx n ILE 29 Cb 0.38 -0.98 0.63 0.00 -1.74 0.00 0.00 39.64 37.92 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 4.92 0.00 -7.88 7.28 3.38 -1.38 -3.45 115.31 118.18 2bbx h LEU 30 Ca -0.47 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.35 2bbx h LEU 30 Cb 1.32 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.86 2bbx h LEU 30 CO 0.80 0.08 -0.59 -1.00 0.09 0.00 0.00 178.44 177.82 2bbx s HIS 31 N -3.71 0.17 0.34 1.13 3.76 -1.26 -5.08 115.29 110.63 2bbx s HIS 31 Ca 0.01 -0.37 -0.28 0.00 -0.15 0.00 0.00 55.06 54.26 2bbx s HIS 31 Cb 0.10 -0.13 -0.10 0.00 1.11 0.00 0.00 32.58 33.55 2bbx s HIS 31 CO 0.57 -0.25 1.33 -2.00 -0.85 0.00 0.00 174.74 173.54 2bbx s GLU 32 N -1.60 4.30 0.00 1.40 -6.30 -1.26 -4.02 118.70 111.23 2bbx s GLU 32 Ca -0.14 2.27 0.00 0.00 -2.50 0.00 0.00 54.97 54.60 2bbx s GLU 32 Cb -0.08 -3.04 0.00 0.00 0.00 0.00 0.00 34.13 31.01 2bbx s GLU 32 CO -0.00 -0.25 0.00 0.41 0.02 0.00 0.00 175.26 175.44 2bbx n GLY 33 N 0.74 0.90 3.46 -1.50 0.00 -1.26 -5.11 105.19 102.42 2bbx n GLY 33 Ca 0.00 -0.17 -0.24 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.50 2.85 0.00 0.00 2.01 -1.26 -4.94 115.64 111.80 2bbx s THR 35 Ca 0.29 0.65 0.00 0.00 0.31 0.00 0.00 61.69 62.93 2bbx s THR 35 Cb -0.05 -3.41 0.00 0.00 0.01 0.00 0.00 72.50 69.05 2bbx s THR 35 CO 0.14 0.07 0.45 -1.54 -0.69 0.00 0.00 174.62 173.05 2bbx n SER 36 N 3.33 0.89 -3.71 3.53 3.41 -1.26 -4.86 113.62 114.94 2bbx n SER 36 Ca 0.10 -1.06 -0.13 0.00 -0.26 0.00 0.00 58.87 57.52 2bbx n SER 36 Cb 0.40 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.26 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 -0.06 0.54 0.20 4.33 2.12 -1.26 -1.57 118.70 123.01 2bbx s GLU 37 Ca 0.00 0.70 -0.03 0.00 0.36 0.00 0.00 54.97 56.00 2bbx s GLU 37 Cb 0.00 0.23 -0.03 0.00 0.26 0.00 0.00 34.13 34.59 2bbx s GLU 37 CO 0.00 -0.08 0.18 0.96 -0.54 0.00 0.00 175.26 175.78 2bbx s ILE 38 N 0.43 0.01 0.05 -3.70 -5.25 -0.89 -5.03 121.20 106.81 2bbx s ILE 38 Ca -0.01 -1.89 -0.00 0.00 -0.99 0.00 0.00 60.65 57.75 2bbx s ILE 38 Cb -0.04 -2.42 -0.04 0.00 2.95 0.00 0.00 42.46 42.91 2bbx s ILE 38 CO -0.01 -0.03 -0.04 -1.10 -1.79 0.00 0.00 174.94 171.97 2bbx s GLN 39 N -4.13 0.57 0.21 0.37 -0.21 -1.26 -2.61 119.66 112.61 2bbx s GLN 39 Ca 0.35 -1.09 -0.15 0.00 0.02 0.00 0.00 55.36 54.49 2bbx s GLN 39 Cb 0.06 0.11 0.01 0.00 1.00 0.00 0.00 33.01 34.19 2bbx s GLN 39 CO 0.11 -0.08 0.50 -1.83 -2.12 0.00 0.00 175.29 171.87 2bbx s GLU 40 N -3.28 1.43 0.64 2.91 -1.05 -0.63 -5.00 118.70 113.72 2bbx s GLU 40 Ca 0.02 -1.02 -0.16 0.00 -0.15 0.00 0.00 54.97 53.66 2bbx s GLU 40 Cb 0.03 0.50 -0.01 0.00 -0.44 0.00 0.00 34.13 34.21 2bbx s GLU 40 CO -0.07 -0.60 1.13 -0.65 0.95 0.00 0.00 175.26 176.02 2bbx s GLN 41 N -3.93 2.84 0.39 -4.83 -0.21 -1.26 -0.80 119.66 111.86 2bbx s GLN 41 Ca 0.14 1.49 0.08 0.00 0.02 0.00 0.00 55.36 57.09 2bbx s GLN 41 Cb -0.01 -1.95 -0.07 0.00 1.00 0.00 0.00 33.01 31.98 2bbx s GLN 41 CO 0.02 -1.24 -0.00 0.00 -2.12 0.00 0.00 175.29 171.94 2bbx n GLU 43 N -0.95 0.41 -2.15 0.00 2.13 -1.26 -3.00 120.64 115.82 2bbx n GLU 43 Ca -0.05 -2.46 -0.42 0.00 0.66 0.00 0.00 57.16 54.89 2bbx n GLU 43 Cb 0.66 -1.54 -0.03 0.00 0.27 0.00 0.00 31.44 30.80 2bbx n GLU 43 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2bbx s GLU 44 N 0.55 4.31 0.17 5.31 0.41 -0.71 -4.94 118.70 123.80 2bbx s GLU 44 Ca 0.31 2.10 -0.12 0.00 -0.41 0.00 0.00 54.97 56.86 2bbx s GLU 44 Cb 0.02 -3.24 0.07 0.00 -1.78 0.00 0.00 34.13 29.20 2bbx s GLU 44 CO -0.11 -0.45 1.70 1.49 -0.49 0.00 0.00 175.26 177.40 2bbx h GLU 45 N 6.77 0.91 -2.93 1.61 4.81 -1.88 -3.26 114.58 120.61 2bbx h GLU 45 Ca -0.42 -0.19 0.08 0.00 -0.13 0.00 0.00 59.36 58.69 2bbx h GLU 45 Cb 1.21 -0.13 -0.06 0.00 0.63 0.00 0.00 28.75 30.40 2bbx h GLU 45 CO 0.87 0.81 0.26 -0.98 -0.73 0.00 0.00 179.01 179.23 2bbx s ARG 46 N -5.42 1.70 0.91 1.92 1.70 -1.26 -4.90 118.95 113.59 2bbx s ARG 46 Ca -0.13 -0.93 -0.10 0.00 -0.47 0.00 0.00 55.73 54.10 2bbx s ARG 46 Cb 0.13 0.59 0.14 0.00 -0.57 0.00 0.00 34.95 35.24 2bbx s ARG 46 CO 0.80 -0.78 1.15 0.00 -1.08 0.00 0.00 175.30 175.39 2bbx n PRO 48 N -4.19 0.07 0.00 0.00 -0.02 -1.26 -4.99 135.00 124.62 2bbx n PRO 48 Ca 0.12 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 2bbx n PRO 48 Cb 0.52 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 2bbx n PRO 48 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18