#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 0.00 0.26 1.61 3.41 -1.26 -4.63 113.62 113.02 2bbx n SER 2 Ca 0.00 -1.16 0.14 0.00 -0.26 0.00 0.00 58.87 57.59 2bbx n SER 2 Cb 0.00 -0.03 0.69 0.00 -0.26 0.00 0.00 64.21 64.61 2bbx n SER 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bbx h ALA 3 N 0.00 1.13 -2.53 7.33 0.00 -2.04 -3.45 119.26 119.70 2bbx h ALA 3 Ca 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2bbx h ALA 3 Cb 1.06 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 18.68 2bbx h ALA 3 CO 0.00 0.14 0.24 -1.12 0.00 0.00 0.00 179.25 178.51 2bbx s SER 4 N -5.98 -0.58 0.00 0.00 0.01 -1.26 -5.09 113.70 100.80 2bbx s SER 4 Ca -0.01 0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.52 2bbx s SER 4 Cb 0.11 0.55 0.00 0.00 0.21 0.00 0.00 66.02 66.89 2bbx s SER 4 CO 0.57 -0.79 0.46 0.00 0.41 0.00 0.00 173.24 173.89 2bbx n GLY 6 N -0.09 -1.28 3.34 0.00 0.00 -1.26 -3.86 105.19 102.04 2bbx n GLY 6 Ca 0.00 -1.26 -0.18 0.00 0.00 0.00 0.00 46.02 44.57 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 1.52 0.95 1.61 -7.23 -1.26 -5.08 120.40 110.91 2bbx s VAL 7 Ca 0.00 -2.14 -0.13 0.00 -1.81 0.00 0.00 61.98 57.89 2bbx s VAL 7 Cb 0.00 -2.13 0.16 0.00 0.56 0.00 0.00 36.38 34.97 2bbx s VAL 7 CO 0.00 -0.53 1.15 0.26 -0.31 0.00 0.00 175.10 175.68 2bbx s TRP 8 N -3.10 2.17 0.21 2.82 0.52 -1.26 -4.65 118.94 115.64 2bbx s TRP 8 Ca 0.24 0.76 0.02 0.00 0.02 0.00 0.00 56.10 57.14 2bbx s TRP 8 Cb 0.02 -3.47 0.02 0.00 -1.15 0.00 0.00 33.47 28.89 2bbx s TRP 8 CO 0.07 -2.59 0.19 -0.25 0.02 0.00 0.00 176.95 174.39 2bbx n ASP 9 N -3.89 1.43 -4.75 2.95 8.00 -1.24 -5.05 116.55 114.00 2bbx n ASP 9 Ca 0.08 -1.67 -0.39 0.00 0.71 0.00 0.00 54.79 53.52 2bbx n ASP 9 Cb 0.59 -0.05 0.03 0.00 -0.02 0.00 0.00 41.12 41.67 2bbx n ASP 9 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2bbx n GLU 10 N -1.10 1.97 -1.38 -1.24 1.02 -1.26 -4.93 120.64 113.72 2bbx n GLU 10 Ca 0.01 0.71 -0.31 0.00 -0.02 0.00 0.00 57.16 57.55 2bbx n GLU 10 Cb 0.23 -2.59 0.08 0.00 -0.02 0.00 0.00 31.44 29.14 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 -1.24 2.75 0.49 -0.32 0.52 -1.26 -4.78 118.94 115.09 2bbx s TRP 11 Ca 0.66 1.46 -0.04 0.00 0.02 0.00 0.00 56.10 58.20 2bbx s TRP 11 Cb -0.44 -3.01 -0.02 0.00 -1.15 0.00 0.00 33.47 28.85 2bbx s TRP 11 CO 0.53 -1.66 0.78 -1.12 0.02 0.00 0.00 176.95 175.50 2bbx s SER 12 N -3.56 6.07 0.77 2.95 0.01 -0.36 -5.03 113.70 114.55 2bbx s SER 12 Ca 0.60 0.77 -0.13 0.00 1.31 0.00 0.00 55.95 58.51 2bbx s SER 12 Cb -0.16 -2.04 0.06 0.00 0.21 0.00 0.00 66.02 64.10 2bbx s SER 12 CO 0.56 -0.67 1.14 -2.16 0.41 0.00 0.00 173.24 172.52 2bbx s PRO 13 N -4.74 2.03 0.45 12.44 0.04 -1.26 -4.54 135.00 139.43 2bbx s PRO 13 Ca 0.48 1.48 -0.25 0.00 0.04 0.00 0.00 61.00 62.76 2bbx s PRO 13 Cb -0.10 -1.85 -0.08 0.00 0.04 0.00 0.00 34.50 32.51 2bbx s PRO 13 CO 0.43 -1.86 1.36 0.00 0.04 0.00 0.00 177.00 176.98 2bbx n SER 15 N -0.27 0.00 -4.17 0.00 3.41 -0.48 -4.81 113.62 107.32 2bbx n SER 15 Ca 0.06 -0.10 -0.18 0.00 -0.26 0.00 0.00 58.87 58.39 2bbx n SER 15 Cb 0.43 -0.19 -0.10 0.00 -0.26 0.00 0.00 64.21 64.10 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 -2.38 0.46 -0.10 -3.33 -7.23 -1.26 -4.94 120.40 101.62 2bbx s VAL 16 Ca 0.16 -2.00 0.14 0.00 -1.81 0.00 0.00 61.98 58.48 2bbx s VAL 16 Cb 0.10 -2.57 0.30 0.00 0.56 0.00 0.00 36.38 34.77 2bbx s VAL 16 CO 0.20 0.00 1.15 1.07 -0.31 0.00 0.00 175.10 177.21 2bbx n THR 17 N -0.54 1.16 0.00 5.32 5.66 -1.26 -4.85 114.28 119.77 2bbx n THR 17 Ca 0.00 -1.81 0.00 0.00 -3.05 0.00 0.00 64.05 59.20 2bbx n THR 17 Cb 0.66 0.20 0.00 0.00 -1.55 0.00 0.00 70.33 69.64 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 -0.07 1.56 3.42 0.00 0.00 -1.26 -3.85 105.19 104.99 2bbx n GLY 19 Ca 0.00 -0.93 -0.31 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.58 -1.94 0.00 1.61 5.02 -1.20 -4.94 118.16 116.12 2bbx n LYS 20 Ca 0.00 1.46 0.00 0.00 -2.02 0.00 0.00 58.31 57.75 2bbx n LYS 20 Cb 0.00 -2.82 0.00 0.00 -0.02 0.00 0.00 35.03 32.19 2bbx n LYS 20 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2bbx n GLY 21 N -0.46 5.54 3.08 0.72 0.00 -0.60 -5.00 105.19 108.47 2bbx n GLY 21 Ca -0.08 -1.42 -0.11 0.00 0.00 0.00 0.00 46.02 44.41 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 0.13 0.47 0.29 2.61 -4.23 -1.26 -0.97 115.64 112.67 2bbx s THR 22 Ca 0.00 -1.33 0.03 0.00 -1.18 0.00 0.00 61.69 59.22 2bbx s THR 22 Cb 0.00 -0.89 -0.06 0.00 1.34 0.00 0.00 72.50 72.89 2bbx s THR 22 CO 0.00 -0.58 0.05 0.00 -0.54 0.00 0.00 174.62 173.55 2bbx s ARG 23 N -2.33 1.54 0.23 3.99 1.70 -0.11 -1.38 118.95 122.60 2bbx s ARG 23 Ca -0.04 -1.84 -0.10 0.00 -0.47 0.00 0.00 55.73 53.28 2bbx s ARG 23 Cb -0.05 -0.70 -0.01 0.00 -0.57 0.00 0.00 34.95 33.62 2bbx s ARG 23 CO -0.02 -0.19 0.39 -1.54 -1.08 0.00 0.00 175.30 172.86 2bbx s SER 24 N -3.42 -0.03 0.20 -2.89 1.04 -1.26 -1.71 113.70 105.63 2bbx s SER 24 Ca 0.35 -1.00 -0.18 0.00 0.48 0.00 0.00 55.95 55.60 2bbx s SER 24 Cb 0.08 0.53 0.03 0.00 0.10 0.00 0.00 66.02 66.76 2bbx s SER 24 CO 0.14 -1.05 0.55 0.00 0.98 0.00 0.00 173.24 173.86 2bbx s ARG 25 N -4.04 1.42 0.29 4.02 1.70 -1.11 -1.22 118.95 120.01 2bbx s ARG 25 Ca 0.25 -0.85 0.05 0.00 -0.47 0.00 0.00 55.73 54.72 2bbx s ARG 25 Cb 0.01 0.54 -0.06 0.00 -0.57 0.00 0.00 34.95 34.87 2bbx s ARG 25 CO 0.08 -0.61 -0.02 0.15 -1.08 0.00 0.00 175.30 173.83 2bbx s LYS 26 N -3.87 1.57 0.14 3.89 1.02 -1.26 -2.49 119.74 118.74 2bbx s LYS 26 Ca 0.09 -1.82 -0.16 0.00 0.02 0.00 0.00 55.97 54.09 2bbx s LYS 26 Cb -0.02 -1.04 0.03 0.00 -0.52 0.00 0.00 37.83 36.29 2bbx s LYS 26 CO -0.03 -0.04 0.43 -0.98 -0.92 0.00 0.00 175.35 173.81 2bbx s ARG 27 N -3.79 1.15 -1.26 1.68 1.70 -1.13 -3.62 118.95 113.68 2bbx s ARG 27 Ca 0.31 -0.75 -0.16 0.00 -0.47 0.00 0.00 55.73 54.66 2bbx s ARG 27 Cb 0.06 0.48 0.12 0.00 -0.57 0.00 0.00 34.95 35.04 2bbx s ARG 27 CO 0.13 -0.46 1.61 0.39 -1.08 0.00 0.00 175.30 175.89 2bbx n GLU 28 N -0.26 3.28 -1.62 3.89 -0.58 -1.26 -4.86 120.64 119.23 2bbx n GLU 28 Ca -0.14 -3.53 -0.39 0.00 -0.42 0.00 0.00 57.16 52.68 2bbx n GLU 28 Cb 0.63 -3.27 0.04 0.00 -0.57 0.00 0.00 31.44 28.27 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 5.49 3.29 0.06 -3.67 -5.35 -1.26 -4.84 119.36 113.07 2bbx n ILE 29 Ca 0.43 -0.50 0.02 0.00 -0.27 0.00 0.00 62.75 62.44 2bbx n ILE 29 Cb 0.44 -1.18 -0.05 0.00 -1.74 0.00 0.00 39.64 37.11 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 0.86 0.00 -7.90 7.28 3.38 -1.85 -3.48 115.31 113.60 2bbx h LEU 30 Ca -0.48 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.37 2bbx h LEU 30 Cb 1.35 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.93 2bbx h LEU 30 CO 0.53 0.47 -0.52 -1.00 0.09 0.00 0.00 178.44 178.01 2bbx s HIS 31 N -3.00 0.21 0.55 1.13 3.76 -1.26 -5.07 115.29 111.60 2bbx s HIS 31 Ca -0.01 -0.52 0.30 0.00 -0.15 0.00 0.00 55.06 54.68 2bbx s HIS 31 Cb 0.09 -0.14 1.78 0.00 1.11 0.00 0.00 32.58 35.41 2bbx s HIS 31 CO 0.80 -0.38 2.22 1.49 -0.85 0.00 0.00 174.74 178.02 2bbx h GLU 32 N 3.59 0.00 0.00 1.40 4.81 -1.92 -2.26 114.58 120.19 2bbx h GLU 32 Ca -0.33 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 2bbx h GLU 32 Cb 1.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.56 2bbx h GLU 32 CO 0.51 0.03 -0.08 0.41 -0.73 0.00 0.00 179.01 179.15 2bbx n GLY 33 N -1.13 -1.64 3.78 1.92 0.00 -1.26 -4.88 105.19 101.97 2bbx n GLY 33 Ca -0.03 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.57 3.42 -0.04 0.00 2.01 -1.26 -4.95 115.64 113.24 2bbx s THR 35 Ca 0.57 1.12 0.00 0.00 0.31 0.00 0.00 61.69 63.70 2bbx s THR 35 Cb -0.25 -3.72 0.00 0.00 0.01 0.00 0.00 72.50 68.55 2bbx s THR 35 CO 0.31 0.15 0.50 -1.54 -0.69 0.00 0.00 174.62 173.34 2bbx n SER 36 N 3.00 1.01 -3.70 3.53 3.41 -1.26 -4.89 113.62 114.72 2bbx n SER 36 Ca 0.07 -1.00 -0.11 0.00 -0.26 0.00 0.00 58.87 57.56 2bbx n SER 36 Cb 0.44 0.02 -0.10 0.00 -0.26 0.00 0.00 64.21 64.31 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 -0.05 0.47 0.20 4.33 2.12 -1.26 -2.84 118.70 121.67 2bbx s GLU 37 Ca 0.00 0.76 -0.02 0.00 0.36 0.00 0.00 54.97 56.07 2bbx s GLU 37 Cb 0.00 0.10 -0.04 0.00 0.26 0.00 0.00 34.13 34.46 2bbx s GLU 37 CO 0.00 -0.12 0.16 0.96 -0.54 0.00 0.00 175.26 175.73 2bbx s ILE 38 N 0.96 0.01 0.06 -3.70 -5.25 -1.04 -5.04 121.20 107.19 2bbx s ILE 38 Ca -0.06 -1.93 -0.03 0.00 -0.99 0.00 0.00 60.65 57.65 2bbx s ILE 38 Cb -0.06 -2.44 -0.03 0.00 2.95 0.00 0.00 42.46 42.88 2bbx s ILE 38 CO -0.08 -0.02 0.01 -1.10 -1.79 0.00 0.00 174.94 171.96 2bbx s GLN 39 N -4.14 0.65 0.19 0.37 -0.21 -1.26 -2.75 119.66 112.51 2bbx s GLN 39 Ca 0.36 -1.15 -0.15 0.00 0.02 0.00 0.00 55.36 54.44 2bbx s GLN 39 Cb 0.06 0.23 0.02 0.00 1.00 0.00 0.00 33.01 34.32 2bbx s GLN 39 CO 0.11 -0.14 0.46 -1.83 -2.12 0.00 0.00 175.29 171.77 2bbx s GLU 40 N -3.85 1.33 0.48 2.91 -1.05 -0.69 -5.01 118.70 112.82 2bbx s GLU 40 Ca 0.06 -0.95 -0.23 0.00 -0.15 0.00 0.00 54.97 53.70 2bbx s GLU 40 Cb 0.07 0.48 -0.07 0.00 -0.44 0.00 0.00 34.13 34.18 2bbx s GLU 40 CO -0.10 -0.55 1.32 -1.14 0.95 0.00 0.00 175.26 175.75 2bbx s GLN 41 N -3.90 3.53 0.17 -4.83 0.74 -1.26 -0.93 119.66 113.17 2bbx s GLN 41 Ca 0.11 2.17 0.03 0.00 0.05 0.00 0.00 55.36 57.72 2bbx s GLN 41 Cb 0.00 -2.46 -0.05 0.00 1.10 0.00 0.00 33.01 31.60 2bbx s GLN 41 CO -0.02 -0.86 -0.05 0.00 -0.55 0.00 0.00 175.29 173.81 2bbx s GLU 43 N -3.83 0.97 0.24 0.00 2.12 -1.26 -1.56 118.70 115.39 2bbx s GLU 43 Ca 0.21 -0.76 0.02 0.00 0.36 0.00 0.00 54.97 54.80 2bbx s GLU 43 Cb 0.04 0.42 -0.05 0.00 0.26 0.00 0.00 34.13 34.80 2bbx s GLU 43 CO 0.03 -0.35 0.04 -1.21 -0.54 0.00 0.00 175.26 173.22 2bbx s GLU 44 N -3.69 1.37 0.09 4.30 0.41 -1.25 -4.96 118.70 114.96 2bbx s GLU 44 Ca 0.03 -1.71 -0.25 0.00 -0.41 0.00 0.00 54.97 52.62 2bbx s GLU 44 Cb 0.03 -0.46 -0.16 0.00 -1.78 0.00 0.00 34.13 31.76 2bbx s GLU 44 CO -0.11 -0.19 1.71 1.49 -0.49 0.00 0.00 175.26 177.68 2bbx h GLU 45 N 2.43 -0.21 -2.44 1.61 4.57 -1.94 -3.43 114.58 115.18 2bbx h GLU 45 Ca -0.38 0.01 0.11 0.00 -1.18 0.00 0.00 59.36 57.92 2bbx h GLU 45 Cb 1.23 0.05 -0.12 0.00 -0.16 0.00 0.00 28.75 29.75 2bbx h GLU 45 CO 0.63 -0.14 0.43 -0.98 -1.18 0.00 0.00 179.01 177.78 2bbx s ARG 46 N -6.16 1.06 0.82 1.92 1.70 -1.26 -5.07 118.95 111.96 2bbx s ARG 46 Ca -0.14 -0.47 -0.12 0.00 -0.47 0.00 0.00 55.73 54.53 2bbx s ARG 46 Cb 0.05 0.43 0.09 0.00 -0.57 0.00 0.00 34.95 34.95 2bbx s ARG 46 CO 0.65 -0.47 1.14 0.00 -1.08 0.00 0.00 175.30 175.54 2bbx s PRO 48 N -4.51 2.66 0.00 0.00 0.04 -1.26 -5.01 135.00 126.92 2bbx s PRO 48 Ca 0.67 1.17 0.12 0.00 0.04 0.00 0.00 61.00 63.00 2bbx s PRO 48 Cb -0.23 -1.95 0.71 0.00 0.04 0.00 0.00 34.50 33.07 2bbx s PRO 48 CO 0.53 -1.33 1.14 -0.35 0.04 0.00 0.00 177.00 177.03