#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 -0.07 0.30 1.61 1.04 -1.26 -5.20 113.70 110.12 2bbx s SER 2 Ca 0.00 -0.76 -0.10 0.00 0.48 0.00 0.00 55.95 55.57 2bbx s SER 2 Cb 0.00 0.51 0.01 0.00 0.10 0.00 0.00 66.02 66.63 2bbx s SER 2 CO 0.00 -0.98 0.52 0.00 0.98 0.00 0.00 173.24 173.76 2bbx s ALA 3 N -3.95 0.03 -0.29 5.32 0.00 -1.26 -5.05 121.76 116.56 2bbx s ALA 3 Ca 0.16 -1.08 0.23 0.00 0.00 0.00 0.00 51.96 51.28 2bbx s ALA 3 Cb 0.01 1.04 1.13 0.00 0.00 0.00 0.00 23.12 25.30 2bbx s ALA 3 CO 0.01 -0.85 1.71 0.77 0.00 0.00 0.00 175.76 177.40 2bbx h SER 4 N 2.17 0.00 -2.71 0.00 0.02 -2.06 -3.46 113.55 107.50 2bbx h SER 4 Ca -0.28 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.29 2bbx h SER 4 Cb 1.25 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.74 2bbx h SER 4 CO 0.37 0.00 -0.46 0.00 -1.14 0.00 0.00 176.83 175.60 2bbx n GLY 6 N -0.83 -0.16 3.10 0.00 0.00 -1.26 -1.30 105.19 104.74 2bbx n GLY 6 Ca -0.22 -2.26 -0.07 0.00 0.00 0.00 0.00 46.02 43.47 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 0.23 0.78 1.61 -7.23 -1.26 -5.05 120.40 109.49 2bbx s VAL 7 Ca 0.00 -1.82 -0.11 0.00 -1.81 0.00 0.00 61.98 58.23 2bbx s VAL 7 Cb 0.00 -1.57 0.06 0.00 0.56 0.00 0.00 36.38 35.43 2bbx s VAL 7 CO 0.00 -0.95 1.10 0.26 -0.31 0.00 0.00 175.10 175.20 2bbx s TRP 8 N -3.92 2.91 0.00 2.82 0.52 -1.26 -4.56 118.94 115.46 2bbx s TRP 8 Ca 0.09 1.14 0.00 0.00 0.02 0.00 0.00 56.10 57.35 2bbx s TRP 8 Cb 0.08 -3.11 0.00 0.00 -1.15 0.00 0.00 33.47 29.29 2bbx s TRP 8 CO -0.09 -1.67 0.00 -3.47 0.02 0.00 0.00 176.95 171.74 2bbx n ASP 9 N -3.36 0.06 -4.76 2.95 2.03 -1.20 -5.04 116.55 107.23 2bbx n ASP 9 Ca 0.07 -0.64 -0.37 0.00 0.52 0.00 0.00 54.79 54.38 2bbx n ASP 9 Cb 0.56 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.98 2bbx n ASP 9 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2bbx s GLU 10 N -0.21 3.31 0.84 -0.67 2.02 -1.26 -4.93 118.70 117.80 2bbx s GLU 10 Ca 0.00 1.85 -0.11 0.00 0.02 0.00 0.00 54.97 56.73 2bbx s GLU 10 Cb 0.00 -2.15 0.10 0.00 0.10 0.00 0.00 34.13 32.17 2bbx s GLU 10 CO 0.00 -0.94 1.09 -1.58 0.02 0.00 0.00 175.26 173.85 2bbx s TRP 11 N -1.55 2.54 0.31 1.61 0.52 -1.26 -4.71 118.94 116.40 2bbx s TRP 11 Ca 0.71 1.27 0.07 0.00 0.02 0.00 0.00 56.10 58.17 2bbx s TRP 11 Cb -0.31 -3.12 -0.02 0.00 -1.15 0.00 0.00 33.47 28.87 2bbx s TRP 11 CO 0.35 -2.07 0.34 -1.12 0.02 0.00 0.00 176.95 174.47 2bbx s SER 12 N -3.58 5.66 0.74 2.95 0.01 -0.33 -5.01 113.70 114.14 2bbx s SER 12 Ca 0.62 -0.29 -0.14 0.00 1.31 0.00 0.00 55.95 57.45 2bbx s SER 12 Cb -0.17 -1.23 0.04 0.00 0.21 0.00 0.00 66.02 64.88 2bbx s SER 12 CO 0.56 -0.29 1.15 -2.16 0.41 0.00 0.00 173.24 172.91 2bbx s PRO 13 N -4.02 2.23 0.48 12.44 0.04 -1.26 -4.42 135.00 140.48 2bbx s PRO 13 Ca 0.40 1.53 -0.21 0.00 0.04 0.00 0.00 61.00 62.75 2bbx s PRO 13 Cb -0.08 -1.87 -0.08 0.00 0.04 0.00 0.00 34.50 32.52 2bbx s PRO 13 CO 0.28 -1.72 1.10 0.00 0.04 0.00 0.00 177.00 176.70 2bbx h SER 15 N 1.78 0.00 0.00 0.00 4.64 -1.21 -2.96 113.55 115.80 2bbx h SER 15 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2bbx h SER 15 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2bbx h SER 15 CO 0.59 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.88 2bbx n VAL 16 N -2.82 0.00 -2.65 0.95 0.24 -1.26 -4.99 118.33 107.81 2bbx n VAL 16 Ca -0.02 -0.34 -0.09 0.00 -2.04 0.00 0.00 64.34 61.86 2bbx n VAL 16 Cb 0.12 1.20 -0.01 0.00 -1.47 0.00 0.00 33.84 33.68 2bbx n VAL 16 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 2bbx n THR 17 N -0.26 -0.32 0.00 3.34 5.66 -1.12 -4.75 114.28 116.83 2bbx n THR 17 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2bbx n THR 17 Cb 0.05 -0.87 0.00 0.00 -1.55 0.00 0.00 70.33 67.96 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 0.04 1.49 1.82 0.00 0.00 -1.25 -2.05 105.19 105.24 2bbx n GLY 19 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 1.83 -1.41 1.61 5.02 -1.26 -4.51 118.16 119.45 2bbx n LYS 20 Ca 0.00 -1.97 0.00 0.00 -2.02 0.00 0.00 58.31 54.32 2bbx n LYS 20 Cb 0.00 -1.77 0.00 0.00 -0.02 0.00 0.00 35.03 33.24 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 -0.53 3.00 3.46 0.72 0.00 -1.26 -4.94 105.19 105.64 2bbx n GLY 21 Ca 0.39 -1.31 -0.24 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.51 2.46 0.25 2.61 -4.23 -1.26 -1.49 115.64 111.47 2bbx s THR 22 Ca 0.00 -2.36 0.06 0.00 -1.18 0.00 0.00 61.69 58.21 2bbx s THR 22 Cb 0.00 -2.28 -0.05 0.00 1.34 0.00 0.00 72.50 71.51 2bbx s THR 22 CO 0.00 -0.36 -0.07 0.00 -0.54 0.00 0.00 174.62 173.65 2bbx s ARG 23 N -3.39 1.43 0.16 3.99 1.70 -0.28 -0.65 118.95 121.90 2bbx s ARG 23 Ca 0.29 -1.70 -0.03 0.00 -0.47 0.00 0.00 55.73 53.81 2bbx s ARG 23 Cb -0.05 -1.01 -0.03 0.00 -0.57 0.00 0.00 34.95 33.29 2bbx s ARG 23 CO 0.14 0.05 0.15 -1.54 -1.08 0.00 0.00 175.30 173.01 2bbx s SER 24 N -3.37 0.19 0.15 -2.89 1.04 -1.26 -2.18 113.70 105.38 2bbx s SER 24 Ca 0.27 -1.16 -0.19 0.00 0.48 0.00 0.00 55.95 55.36 2bbx s SER 24 Cb 0.03 0.36 0.05 0.00 0.10 0.00 0.00 66.02 66.56 2bbx s SER 24 CO 0.09 -0.81 0.49 0.00 0.98 0.00 0.00 173.24 173.99 2bbx s ARG 25 N -4.05 1.20 0.35 4.02 1.70 -1.16 -1.19 118.95 119.81 2bbx s ARG 25 Ca 0.26 -0.66 0.09 0.00 -0.47 0.00 0.00 55.73 54.95 2bbx s ARG 25 Cb 0.06 0.52 -0.06 0.00 -0.57 0.00 0.00 34.95 34.90 2bbx s ARG 25 CO 0.04 -0.50 -0.05 0.15 -1.08 0.00 0.00 175.30 173.87 2bbx s LYS 26 N -3.80 1.93 0.15 3.89 1.02 -1.26 -2.67 119.74 119.00 2bbx s LYS 26 Ca 0.03 -1.87 -0.15 0.00 0.02 0.00 0.00 55.97 54.00 2bbx s LYS 26 Cb 0.00 -1.79 0.02 0.00 -0.52 0.00 0.00 37.83 35.55 2bbx s LYS 26 CO -0.11 0.13 0.41 -0.98 -0.92 0.00 0.00 175.35 173.88 2bbx s ARG 27 N -3.66 1.18 -1.14 1.68 1.70 -0.82 -3.23 118.95 114.66 2bbx s ARG 27 Ca 0.34 -0.85 -0.13 0.00 -0.47 0.00 0.00 55.73 54.62 2bbx s ARG 27 Cb 0.02 0.47 0.20 0.00 -0.57 0.00 0.00 34.95 35.06 2bbx s ARG 27 CO 0.18 -0.47 1.30 -1.21 -1.08 0.00 0.00 175.30 174.02 2bbx s GLU 28 N -3.86 4.05 0.19 3.89 2.02 -1.26 -4.84 118.70 118.89 2bbx s GLU 28 Ca 0.07 -2.66 -0.33 0.00 0.02 0.00 0.00 54.97 52.07 2bbx s GLU 28 Cb 0.01 -4.90 -0.15 0.00 0.10 0.00 0.00 34.13 29.20 2bbx s GLU 28 CO -0.07 -1.61 1.35 0.44 0.02 0.00 0.00 175.26 175.39 2bbx n ILE 29 N 4.18 0.65 0.24 -1.63 -5.35 -1.26 -4.80 119.36 111.40 2bbx n ILE 29 Ca 0.31 -0.16 0.13 0.00 -0.27 0.00 0.00 62.75 62.75 2bbx n ILE 29 Cb 0.43 -1.21 0.48 0.00 -1.74 0.00 0.00 39.64 37.59 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 4.29 0.00 -8.08 7.28 3.38 -1.59 -3.46 115.31 117.14 2bbx h LEU 30 Ca -0.45 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.41 2bbx h LEU 30 Cb 1.30 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.90 2bbx h LEU 30 CO 0.76 0.13 -0.59 -1.00 0.09 0.00 0.00 178.44 177.83 2bbx s HIS 31 N -3.56 0.38 -1.08 1.13 3.76 -1.26 -5.07 115.29 109.59 2bbx s HIS 31 Ca 0.02 -0.85 0.15 0.00 -0.15 0.00 0.00 55.06 54.23 2bbx s HIS 31 Cb 0.09 -0.27 0.66 0.00 1.11 0.00 0.00 32.58 34.17 2bbx s HIS 31 CO 0.61 -0.41 1.47 -0.85 -0.85 0.00 0.00 174.74 174.71 2bbx n GLU 32 N 0.24 0.04 -1.18 1.40 0.28 -1.26 -3.58 120.64 116.57 2bbx n GLU 32 Ca -0.15 0.23 -0.18 0.00 -0.16 0.00 0.00 57.16 56.89 2bbx n GLU 32 Cb 0.61 -1.50 0.15 0.00 1.43 0.00 0.00 31.44 32.12 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 0.03 5.19 3.17 -1.84 0.00 -1.26 -5.00 105.19 105.48 2bbx n GLY 33 Ca 0.04 -1.59 -0.17 0.00 0.00 0.00 0.00 46.02 44.30 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 -1.68 3.19 0.00 0.00 2.01 -1.26 -4.95 115.64 112.95 2bbx s THR 35 Ca 0.01 0.93 0.00 0.00 0.31 0.00 0.00 61.69 62.93 2bbx s THR 35 Cb -0.08 -3.59 0.00 0.00 0.01 0.00 0.00 72.50 68.84 2bbx s THR 35 CO 0.02 0.12 0.51 -1.54 -0.69 0.00 0.00 174.62 173.03 2bbx n SER 36 N 3.07 1.02 -3.70 3.53 3.41 -1.26 -4.88 113.62 114.82 2bbx n SER 36 Ca 0.08 -1.02 -0.12 0.00 -0.26 0.00 0.00 58.87 57.54 2bbx n SER 36 Cb 0.42 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.28 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 -0.02 0.56 0.22 4.33 2.12 -1.26 -1.94 118.70 122.71 2bbx s GLU 37 Ca 0.00 0.75 -0.00 0.00 0.36 0.00 0.00 54.97 56.08 2bbx s GLU 37 Cb 0.00 0.22 -0.04 0.00 0.26 0.00 0.00 34.13 34.58 2bbx s GLU 37 CO 0.00 -0.09 0.17 0.96 -0.54 0.00 0.00 175.26 175.76 2bbx s ILE 38 N 0.56 0.00 0.05 -3.70 -5.25 -1.09 -5.04 121.20 106.73 2bbx s ILE 38 Ca -0.02 -1.97 -0.04 0.00 -0.99 0.00 0.00 60.65 57.63 2bbx s ILE 38 Cb -0.04 -2.49 -0.02 0.00 2.95 0.00 0.00 42.46 42.86 2bbx s ILE 38 CO -0.03 0.00 0.06 -1.10 -1.79 0.00 0.00 174.94 172.07 2bbx s GLN 39 N -4.03 0.64 0.18 0.37 -0.21 -1.26 -3.00 119.66 112.35 2bbx s GLN 39 Ca 0.38 -1.00 -0.18 0.00 0.02 0.00 0.00 55.36 54.59 2bbx s GLN 39 Cb 0.06 0.24 0.03 0.00 1.00 0.00 0.00 33.01 34.34 2bbx s GLN 39 CO 0.14 -0.15 0.51 -1.83 -2.12 0.00 0.00 175.29 171.84 2bbx s GLU 40 N -3.42 1.31 0.26 2.91 -1.05 -0.92 -5.00 118.70 112.78 2bbx s GLU 40 Ca 0.02 -0.80 -0.30 0.00 -0.15 0.00 0.00 54.97 53.74 2bbx s GLU 40 Cb 0.04 0.52 -0.10 0.00 -0.44 0.00 0.00 34.13 34.14 2bbx s GLU 40 CO -0.08 -0.55 1.45 -1.14 0.95 0.00 0.00 175.26 175.89 2bbx s GLN 41 N -3.85 4.25 0.98 -4.83 0.74 -1.26 -1.13 119.66 114.56 2bbx s GLN 41 Ca 0.07 2.33 -0.16 0.00 0.05 0.00 0.00 55.36 57.65 2bbx s GLN 41 Cb -0.00 -3.10 0.20 0.00 1.10 0.00 0.00 33.01 31.20 2bbx s GLN 41 CO -0.06 -0.44 1.26 0.00 -0.55 0.00 0.00 175.29 175.51 2bbx n GLU 43 N -3.88 1.85 -1.17 0.00 1.02 -1.26 -4.82 120.64 112.38 2bbx n GLU 43 Ca 0.13 -2.41 -0.29 0.00 -0.02 0.00 0.00 57.16 54.57 2bbx n GLU 43 Cb 0.60 -1.45 0.21 0.00 -0.02 0.00 0.00 31.44 30.77 2bbx n GLU 43 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2bbx s GLU 44 N -2.49 -0.41 0.22 3.49 0.41 -1.26 -4.97 118.70 113.69 2bbx s GLU 44 Ca 0.28 0.16 -0.00 0.00 -0.41 0.00 0.00 54.97 54.99 2bbx s GLU 44 Cb 0.23 -1.67 -0.04 0.00 -1.78 0.00 0.00 34.13 30.87 2bbx s GLU 44 CO 0.04 -3.22 0.12 -1.21 -0.49 0.00 0.00 175.26 170.50 2bbx s GLU 45 N -5.24 1.26 -1.08 1.61 0.41 -0.87 -3.82 118.70 110.97 2bbx s GLU 45 Ca 0.68 -1.67 -0.06 0.00 -0.41 0.00 0.00 54.97 53.52 2bbx s GLU 45 Cb -0.13 0.11 -0.06 0.00 -1.78 0.00 0.00 34.13 32.27 2bbx s GLU 45 CO 0.56 -0.36 0.92 0.54 -0.49 0.00 0.00 175.26 176.44 2bbx n ARG 46 N -0.32 -2.93 -1.34 1.61 1.74 -1.24 -4.47 116.66 109.72 2bbx n ARG 46 Ca 0.01 0.85 -0.33 0.00 -0.77 0.00 0.00 57.85 57.61 2bbx n ARG 46 Cb 0.66 -5.77 0.10 0.00 -1.02 0.00 0.00 32.46 26.43 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 -4.15 1.75 0.00 0.00 0.04 -1.26 -5.16 135.00 126.22 2bbx s PRO 48 Ca 0.71 0.80 0.00 0.00 0.04 0.00 0.00 61.00 62.54 2bbx s PRO 48 Cb -0.26 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.42 2bbx s PRO 48 CO 0.48 -1.89 0.22 -2.30 0.04 0.00 0.00 177.00 173.55