#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 -5.14 1.61 0.02 -2.10 -3.45 113.55 104.49 2bbx h SER 2 Ca 0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 2bbx h SER 2 Cb 0.00 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 62.41 2bbx h SER 2 CO 0.00 0.02 -0.18 0.00 -1.14 0.00 0.00 176.83 175.52 2bbx s ALA 3 N -3.81 -0.56 0.66 3.77 0.00 -1.26 -5.18 121.76 115.38 2bbx s ALA 3 Ca -0.01 -0.39 -0.15 0.00 0.00 0.00 0.00 51.96 51.41 2bbx s ALA 3 Cb 0.10 0.70 -0.00 0.00 0.00 0.00 0.00 23.12 23.92 2bbx s ALA 3 CO 0.52 -0.64 1.12 -1.12 0.00 0.00 0.00 175.76 175.64 2bbx s SER 4 N -2.86 5.06 0.00 0.00 0.01 -1.26 -5.01 113.70 109.64 2bbx s SER 4 Ca 0.07 2.05 0.00 0.00 1.31 0.00 0.00 55.95 59.38 2bbx s SER 4 Cb 0.02 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2bbx s SER 4 CO -0.08 -1.66 0.46 0.00 0.41 0.00 0.00 173.24 172.37 2bbx n GLY 6 N -0.08 -0.30 3.28 0.00 0.00 -1.26 -1.11 105.19 105.72 2bbx n GLY 6 Ca 0.00 -2.18 -0.15 0.00 0.00 0.00 0.00 46.02 43.68 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 1.12 0.80 1.61 -7.23 -1.26 -5.06 120.40 110.39 2bbx s VAL 7 Ca 0.00 -2.05 -0.12 0.00 -1.81 0.00 0.00 61.98 58.00 2bbx s VAL 7 Cb 0.00 -2.03 0.08 0.00 0.56 0.00 0.00 36.38 34.99 2bbx s VAL 7 CO 0.00 -0.59 1.17 0.26 -0.31 0.00 0.00 175.10 175.63 2bbx s TRP 8 N -3.36 2.94 0.13 2.82 0.52 -1.26 -4.61 118.94 116.11 2bbx s TRP 8 Ca 0.21 0.73 0.02 0.00 0.02 0.00 0.00 56.10 57.08 2bbx s TRP 8 Cb 0.04 -3.48 0.02 0.00 -1.15 0.00 0.00 33.47 28.89 2bbx s TRP 8 CO 0.04 -1.76 0.16 -0.25 0.02 0.00 0.00 176.95 175.16 2bbx n ASP 9 N -3.30 0.60 -4.75 2.95 8.00 -1.22 -5.05 116.55 113.78 2bbx n ASP 9 Ca 0.08 -1.35 -0.38 0.00 0.71 0.00 0.00 54.79 53.84 2bbx n ASP 9 Cb 0.61 -0.08 0.03 0.00 -0.02 0.00 0.00 41.12 41.66 2bbx n ASP 9 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2bbx s GLU 10 N -2.57 3.26 0.87 -1.24 2.02 -1.26 -4.92 118.70 114.86 2bbx s GLU 10 Ca 0.13 2.23 -0.11 0.00 0.02 0.00 0.00 54.97 57.23 2bbx s GLU 10 Cb -0.01 -2.33 0.11 0.00 0.10 0.00 0.00 34.13 32.00 2bbx s GLU 10 CO 0.08 -1.09 1.09 -1.58 0.02 0.00 0.00 175.26 173.78 2bbx s TRP 11 N -1.30 2.45 0.32 1.61 0.52 -1.26 -4.76 118.94 116.50 2bbx s TRP 11 Ca 0.69 1.24 0.06 0.00 0.02 0.00 0.00 56.10 58.12 2bbx s TRP 11 Cb -0.40 -3.15 -0.02 0.00 -1.15 0.00 0.00 33.47 28.75 2bbx s TRP 11 CO 0.48 -2.22 0.41 -1.12 0.02 0.00 0.00 176.95 174.52 2bbx s SER 12 N -3.53 5.90 0.84 2.95 0.01 -0.72 -5.02 113.70 114.12 2bbx s SER 12 Ca 0.63 -0.20 -0.11 0.00 1.31 0.00 0.00 55.95 57.58 2bbx s SER 12 Cb -0.17 -1.30 0.10 0.00 0.21 0.00 0.00 66.02 64.86 2bbx s SER 12 CO 0.56 -0.35 1.10 -2.16 0.41 0.00 0.00 173.24 172.81 2bbx s PRO 13 N -4.10 1.68 0.61 12.44 0.04 -1.26 -4.52 135.00 139.89 2bbx s PRO 13 Ca 0.42 1.18 -0.18 0.00 0.04 0.00 0.00 61.00 62.46 2bbx s PRO 13 Cb -0.09 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.60 2bbx s PRO 13 CO 0.30 -2.05 1.23 0.00 0.04 0.00 0.00 177.00 176.52 2bbx h SER 15 N 0.77 0.00 0.00 0.00 4.64 -1.13 -3.27 113.55 114.56 2bbx h SER 15 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 2bbx h SER 15 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 2bbx h SER 15 CO 0.54 0.00 -0.20 1.33 -0.87 0.00 0.00 176.83 177.63 2bbx n VAL 16 N -2.95 0.00 -1.96 0.95 0.24 -1.26 -5.01 118.33 108.34 2bbx n VAL 16 Ca -0.02 -0.22 -0.09 0.00 -2.04 0.00 0.00 64.34 61.97 2bbx n VAL 16 Cb 0.13 0.79 -0.02 0.00 -1.47 0.00 0.00 33.84 33.27 2bbx n VAL 16 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2bbx n THR 17 N -0.74 -0.26 -0.50 3.34 -2.24 -1.24 -4.69 114.28 107.95 2bbx n THR 17 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2bbx n THR 17 Cb 0.00 -1.13 0.00 0.00 -2.10 0.00 0.00 70.33 67.10 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 -0.57 3.69 0.00 0.00 -1.26 -2.79 105.19 104.26 2bbx n GLY 19 Ca 0.00 -0.73 -0.56 0.00 0.00 0.00 0.00 46.02 44.73 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 1.21 -0.98 1.61 5.02 -1.26 -4.44 118.16 119.31 2bbx n LYS 20 Ca 0.00 0.44 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 2bbx n LYS 20 Cb 0.00 -2.13 0.00 0.00 -0.02 0.00 0.00 35.03 32.88 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 3.92 1.03 3.28 0.72 0.00 -1.26 -4.91 105.19 107.97 2bbx n GLY 21 Ca 0.25 -0.76 -0.15 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.26 1.26 0.10 2.61 -4.23 -1.26 -0.99 115.64 110.86 2bbx s THR 22 Ca 0.00 -2.08 0.03 0.00 -1.18 0.00 0.00 61.69 58.46 2bbx s THR 22 Cb 0.00 -1.95 -0.04 0.00 1.34 0.00 0.00 72.50 71.85 2bbx s THR 22 CO 0.00 -0.66 -0.09 0.00 -0.54 0.00 0.00 174.62 173.33 2bbx s ARG 23 N -3.74 0.85 0.19 3.99 1.70 -0.21 -0.47 118.95 121.26 2bbx s ARG 23 Ca 0.19 -1.21 0.02 0.00 -0.47 0.00 0.00 55.73 54.26 2bbx s ARG 23 Cb 0.02 -0.46 -0.05 0.00 -0.57 0.00 0.00 34.95 33.90 2bbx s ARG 23 CO 0.03 0.06 0.02 -1.54 -1.08 0.00 0.00 175.30 172.78 2bbx s SER 24 N -2.62 1.20 0.17 -2.89 1.04 -1.26 -1.44 113.70 107.90 2bbx s SER 24 Ca 0.07 -1.21 -0.18 0.00 0.48 0.00 0.00 55.95 55.11 2bbx s SER 24 Cb -0.01 0.13 0.04 0.00 0.10 0.00 0.00 66.02 66.28 2bbx s SER 24 CO -0.01 -0.60 0.52 0.00 0.98 0.00 0.00 173.24 174.13 2bbx s ARG 25 N -3.94 1.30 0.34 4.02 1.70 -0.78 -1.76 118.95 119.83 2bbx s ARG 25 Ca 0.26 -0.75 0.09 0.00 -0.47 0.00 0.00 55.73 54.86 2bbx s ARG 25 Cb 0.06 0.53 -0.06 0.00 -0.57 0.00 0.00 34.95 34.90 2bbx s ARG 25 CO 0.06 -0.55 -0.07 0.15 -1.08 0.00 0.00 175.30 173.80 2bbx s LYS 26 N -3.83 1.77 0.34 3.89 1.02 -1.26 -2.01 119.74 119.65 2bbx s LYS 26 Ca 0.06 -1.92 -0.11 0.00 0.02 0.00 0.00 55.97 54.02 2bbx s LYS 26 Cb -0.00 -1.56 0.02 0.00 -0.52 0.00 0.00 37.83 35.77 2bbx s LYS 26 CO -0.07 0.09 0.62 -0.98 -0.92 0.00 0.00 175.35 174.10 2bbx s ARG 27 N -3.65 1.97 -0.75 1.68 1.70 -0.71 -3.41 118.95 115.78 2bbx s ARG 27 Ca 0.32 -1.48 -0.02 0.00 -0.47 0.00 0.00 55.73 54.08 2bbx s ARG 27 Cb 0.04 0.54 0.19 0.00 -0.57 0.00 0.00 34.95 35.14 2bbx s ARG 27 CO 0.16 -0.87 0.60 -1.21 -1.08 0.00 0.00 175.30 172.89 2bbx s GLU 28 N -3.00 2.89 0.15 3.89 2.02 -1.26 -4.87 118.70 118.53 2bbx s GLU 28 Ca 0.21 -2.93 -0.34 0.00 0.02 0.00 0.00 54.97 51.93 2bbx s GLU 28 Cb -0.03 -3.82 -0.15 0.00 0.10 0.00 0.00 34.13 30.23 2bbx s GLU 28 CO 0.14 -1.22 1.37 0.44 0.02 0.00 0.00 175.26 176.00 2bbx n ILE 29 N 2.86 0.37 0.35 -1.63 -5.35 -1.26 -4.88 119.36 109.82 2bbx n ILE 29 Ca 0.15 -0.09 0.14 0.00 -0.27 0.00 0.00 62.75 62.68 2bbx n ILE 29 Cb 0.37 -1.12 0.54 0.00 -1.74 0.00 0.00 39.64 37.70 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 4.57 0.00 -8.28 7.28 3.38 -1.50 -3.45 115.31 117.31 2bbx h LEU 30 Ca -0.45 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.31 2bbx h LEU 30 Cb 1.31 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.89 2bbx h LEU 30 CO 0.78 0.00 -0.70 -1.00 0.09 0.00 0.00 178.44 177.61 2bbx s HIS 31 N -3.44 0.69 -1.28 1.13 3.76 -1.26 -5.07 115.29 109.81 2bbx s HIS 31 Ca 0.04 -0.82 0.20 0.00 -0.15 0.00 0.00 55.06 54.33 2bbx s HIS 31 Cb 0.09 -0.43 0.97 0.00 1.11 0.00 0.00 32.58 34.33 2bbx s HIS 31 CO 0.50 -0.19 1.65 -0.85 -0.85 0.00 0.00 174.74 174.99 2bbx n GLU 32 N 0.50 0.19 -1.82 1.40 0.28 -1.26 -3.93 120.64 116.00 2bbx n GLU 32 Ca -0.16 0.11 -0.28 0.00 -0.16 0.00 0.00 57.16 56.68 2bbx n GLU 32 Cb 0.59 -1.50 0.04 0.00 1.43 0.00 0.00 31.44 32.00 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 0.49 6.23 3.17 -1.84 0.00 -1.26 -5.03 105.19 106.95 2bbx n GLY 33 Ca 0.08 -2.56 -0.09 0.00 0.00 0.00 0.00 46.02 43.45 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 -3.96 3.63 0.00 0.00 2.01 -1.26 -4.96 115.64 111.10 2bbx s THR 35 Ca 0.14 1.36 0.00 0.00 0.31 0.00 0.00 61.69 63.51 2bbx s THR 35 Cb 0.07 -3.87 0.00 0.00 0.01 0.00 0.00 72.50 68.71 2bbx s THR 35 CO -0.04 0.21 0.56 -1.54 -0.69 0.00 0.00 174.62 173.11 2bbx n SER 36 N 2.60 1.07 -3.70 3.53 3.41 -1.26 -4.86 113.62 114.42 2bbx n SER 36 Ca 0.05 -1.23 -0.11 0.00 -0.26 0.00 0.00 58.87 57.32 2bbx n SER 36 Cb 0.45 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.30 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 -0.23 0.43 0.23 4.33 2.12 -1.26 -1.74 118.70 122.58 2bbx s GLU 37 Ca 0.00 0.77 -0.03 0.00 0.36 0.00 0.00 54.97 56.06 2bbx s GLU 37 Cb 0.00 0.05 -0.03 0.00 0.26 0.00 0.00 34.13 34.41 2bbx s GLU 37 CO 0.00 -0.14 0.25 0.96 -0.54 0.00 0.00 175.26 175.79 2bbx s ILE 38 N 1.14 0.00 0.12 -3.70 -5.25 -0.85 -5.03 121.20 107.63 2bbx s ILE 38 Ca -0.07 -1.83 -0.13 0.00 -0.99 0.00 0.00 60.65 57.62 2bbx s ILE 38 Cb -0.07 -2.44 0.02 0.00 2.95 0.00 0.00 42.46 42.92 2bbx s ILE 38 CO -0.10 0.00 0.34 0.00 -1.79 0.00 0.00 174.94 173.39 2bbx s GLN 39 N -4.00 1.04 0.20 0.37 -2.07 -1.26 -1.86 119.66 112.08 2bbx s GLN 39 Ca 0.35 -0.83 -0.10 0.00 -1.82 0.00 0.00 55.36 52.95 2bbx s GLN 39 Cb 0.04 0.43 -0.01 0.00 -1.09 0.00 0.00 33.01 32.38 2bbx s GLN 39 CO 0.13 -0.39 0.35 -1.83 -1.32 0.00 0.00 175.29 172.23 2bbx s GLU 40 N -3.84 1.31 0.21 9.60 -1.05 -0.52 -4.98 118.70 119.42 2bbx s GLU 40 Ca 0.05 -1.23 -0.32 0.00 -0.15 0.00 0.00 54.97 53.33 2bbx s GLU 40 Cb 0.03 0.41 -0.11 0.00 -0.44 0.00 0.00 34.13 34.01 2bbx s GLU 40 CO -0.10 -0.50 1.67 -1.14 0.95 0.00 0.00 175.26 176.13 2bbx s GLN 41 N -4.00 4.15 0.80 -4.83 0.74 -1.26 -1.04 119.66 114.21 2bbx s GLN 41 Ca 0.21 2.54 -0.14 0.00 0.05 0.00 0.00 55.36 58.02 2bbx s GLN 41 Cb 0.02 -3.09 0.18 0.00 1.10 0.00 0.00 33.01 31.23 2bbx s GLN 41 CO 0.04 -0.70 1.06 0.00 -0.55 0.00 0.00 175.29 175.14 2bbx n GLU 43 N -3.31 1.24 -1.84 0.00 0.28 -1.26 -4.79 120.64 110.95 2bbx n GLU 43 Ca 0.13 -2.01 -0.34 0.00 -0.16 0.00 0.00 57.16 54.78 2bbx n GLU 43 Cb 0.46 -1.19 0.04 0.00 1.43 0.00 0.00 31.44 32.19 2bbx n GLU 43 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2bbx s GLU 44 N -1.91 2.82 0.00 3.44 0.41 -1.26 -5.00 118.70 117.20 2bbx s GLU 44 Ca 0.19 1.58 0.00 0.00 -0.41 0.00 0.00 54.97 56.33 2bbx s GLU 44 Cb 0.17 -1.94 0.00 0.00 -1.78 0.00 0.00 34.13 30.58 2bbx s GLU 44 CO 0.02 -1.27 0.00 -0.85 -0.49 0.00 0.00 175.26 172.67 2bbx n GLU 45 N -2.10 1.15 -3.82 1.61 0.28 -1.26 -4.13 120.64 112.37 2bbx n GLU 45 Ca 0.12 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 57.01 2bbx n GLU 45 Cb 0.51 -0.69 -0.08 0.00 1.43 0.00 0.00 31.44 32.61 2bbx n GLU 45 CO 0.00 0.00 0.00 -0.98 -0.16 0.00 0.00 177.13 175.99 2bbx s ARG 46 N -1.38 0.74 0.82 3.44 1.70 -1.12 -4.60 118.95 118.55 2bbx s ARG 46 Ca 0.00 -0.64 -0.11 0.00 -0.47 0.00 0.00 55.73 54.51 2bbx s ARG 46 Cb 0.00 0.31 0.09 0.00 -0.57 0.00 0.00 34.95 34.78 2bbx s ARG 46 CO 0.00 -0.22 1.13 0.00 -1.08 0.00 0.00 175.30 175.12 2bbx s PRO 48 N -4.65 2.58 0.00 0.00 0.04 -1.26 -5.02 135.00 126.69 2bbx s PRO 48 Ca 0.65 1.15 0.11 0.00 0.04 0.00 0.00 61.00 62.95 2bbx s PRO 48 Cb -0.21 -1.94 0.64 0.00 0.04 0.00 0.00 34.50 33.03 2bbx s PRO 48 CO 0.55 -1.39 1.08 -0.35 0.04 0.00 0.00 177.00 176.93