#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 -0.09 0.00 1.61 1.04 -1.26 -5.09 113.70 109.91 2bbx s SER 2 Ca 0.00 -0.88 0.00 0.00 0.48 0.00 0.00 55.95 55.55 2bbx s SER 2 Cb 0.00 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.76 2bbx s SER 2 CO 0.00 -1.22 0.57 0.00 0.98 0.00 0.00 173.24 173.57 2bbx n ALA 3 N -0.41 1.30 -1.42 5.32 0.00 -1.26 -5.15 120.51 118.88 2bbx n ALA 3 Ca -0.02 -0.57 0.18 0.00 0.00 0.00 0.00 53.44 53.03 2bbx n ALA 3 Cb 0.61 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.99 2bbx n ALA 3 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2bbx n SER 4 N -0.15 -8.44 -0.47 0.00 7.64 -1.26 -4.97 113.62 105.98 2bbx n SER 4 Ca 0.00 1.07 0.00 0.00 1.01 0.00 0.00 58.87 60.95 2bbx n SER 4 Cb 0.33 -4.64 0.00 0.00 -1.01 0.00 0.00 64.21 58.90 2bbx n SER 4 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2bbx n GLY 6 N 0.00 -0.19 3.16 0.00 0.00 -1.26 -1.29 105.19 105.62 2bbx n GLY 6 Ca 0.00 -2.26 -0.10 0.00 0.00 0.00 0.00 46.02 43.65 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 -0.17 0.47 0.85 1.61 -7.23 -1.26 -5.05 120.40 109.61 2bbx s VAL 7 Ca 0.00 -1.91 -0.12 0.00 -1.81 0.00 0.00 61.98 58.14 2bbx s VAL 7 Cb 0.00 -1.81 0.10 0.00 0.56 0.00 0.00 36.38 35.23 2bbx s VAL 7 CO 0.00 -0.74 1.12 0.26 -0.31 0.00 0.00 175.10 175.43 2bbx s TRP 8 N -3.78 2.72 0.00 2.82 0.52 -1.26 -4.59 118.94 115.38 2bbx s TRP 8 Ca 0.16 0.98 0.00 0.00 0.02 0.00 0.00 56.10 57.25 2bbx s TRP 8 Cb 0.06 -3.27 0.00 0.00 -1.15 0.00 0.00 33.47 29.12 2bbx s TRP 8 CO -0.03 -2.01 0.00 -3.47 0.02 0.00 0.00 176.95 171.46 2bbx n ASP 9 N -3.55 0.20 -4.76 2.95 2.03 -1.22 -5.04 116.55 107.16 2bbx n ASP 9 Ca 0.07 -0.85 -0.38 0.00 0.52 0.00 0.00 54.79 54.15 2bbx n ASP 9 Cb 0.58 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 41.00 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 -1.29 3.42 0.86 -0.67 2.02 -1.26 -4.93 118.70 116.84 2bbx s GLU 10 Ca 0.00 2.09 -0.11 0.00 0.02 0.00 0.00 54.97 56.97 2bbx s GLU 10 Cb 0.00 -2.36 0.11 0.00 0.10 0.00 0.00 34.13 31.98 2bbx s GLU 10 CO 0.00 -0.92 1.09 -1.58 0.02 0.00 0.00 175.26 173.87 2bbx s TRP 11 N -1.37 2.40 0.27 1.61 0.52 -1.26 -4.74 118.94 116.37 2bbx s TRP 11 Ca 0.68 1.36 0.06 0.00 0.02 0.00 0.00 56.10 58.21 2bbx s TRP 11 Cb -0.37 -3.12 -0.03 0.00 -1.15 0.00 0.00 33.47 28.80 2bbx s TRP 11 CO 0.44 -2.20 0.32 -1.12 0.02 0.00 0.00 176.95 174.41 2bbx s SER 12 N -3.41 5.93 0.85 2.95 0.01 -0.46 -5.02 113.70 114.55 2bbx s SER 12 Ca 0.63 -0.12 -0.10 0.00 1.31 0.00 0.00 55.95 57.66 2bbx s SER 12 Cb -0.18 -1.54 0.10 0.00 0.21 0.00 0.00 66.02 64.62 2bbx s SER 12 CO 0.57 -0.15 1.12 -2.16 0.41 0.00 0.00 173.24 173.03 2bbx s PRO 13 N -3.97 1.60 0.62 12.44 0.04 -1.26 -4.40 135.00 140.06 2bbx s PRO 13 Ca 0.36 1.38 -0.19 0.00 0.04 0.00 0.00 61.00 62.59 2bbx s PRO 13 Cb -0.08 -1.81 -0.02 0.00 0.04 0.00 0.00 34.50 32.63 2bbx s PRO 13 CO 0.28 -2.17 1.29 0.00 0.04 0.00 0.00 177.00 176.44 2bbx n SER 15 N -1.69 0.00 -4.17 0.00 3.41 -1.06 -4.83 113.62 105.28 2bbx n SER 15 Ca 0.14 0.37 -0.11 0.00 -0.26 0.00 0.00 58.87 59.01 2bbx n SER 15 Cb 0.48 -0.43 -0.10 0.00 -0.26 0.00 0.00 64.21 63.90 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 0.05 -0.04 -3.33 -7.23 -1.26 -4.97 120.40 100.76 2bbx s VAL 16 Ca 0.09 -1.95 0.20 0.00 -1.81 0.00 0.00 61.98 58.51 2bbx s VAL 16 Cb 0.09 -2.26 0.38 0.00 0.56 0.00 0.00 36.38 35.15 2bbx s VAL 16 CO 0.24 -0.24 1.16 0.35 -0.31 0.00 0.00 175.10 176.30 2bbx n THR 17 N -0.18 0.44 -0.57 5.32 -2.24 -1.26 -4.69 114.28 111.09 2bbx n THR 17 Ca -0.02 -1.33 0.00 0.00 -2.27 0.00 0.00 64.05 60.44 2bbx n THR 17 Cb 0.65 0.70 0.00 0.00 -2.10 0.00 0.00 70.33 69.57 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 -0.80 3.84 0.00 0.00 -1.26 -4.43 105.19 102.55 2bbx n GLY 19 Ca 0.00 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.37 4.06 0.00 1.61 1.02 -1.26 -2.18 119.74 122.62 2bbx s LYS 20 Ca 0.00 0.84 0.00 0.00 0.02 0.00 0.00 55.97 56.83 2bbx s LYS 20 Cb 0.00 -2.31 0.00 0.00 -0.52 0.00 0.00 37.83 35.00 2bbx s LYS 20 CO 0.00 0.03 0.00 0.41 -0.92 0.00 0.00 175.35 174.87 2bbx n GLY 21 N -0.68 2.95 2.84 -3.33 0.00 -0.19 -4.90 105.19 101.89 2bbx n GLY 21 Ca 0.05 -0.56 -0.17 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.76 0.24 0.52 2.61 -4.23 -1.26 -1.24 115.64 110.52 2bbx s THR 22 Ca 0.00 0.03 0.03 0.00 -1.18 0.00 0.00 61.69 60.57 2bbx s THR 22 Cb 0.00 -0.31 0.03 0.00 1.34 0.00 0.00 72.50 73.56 2bbx s THR 22 CO 0.00 0.15 0.73 0.00 -0.54 0.00 0.00 174.62 174.96 2bbx s ARG 23 N 0.86 2.57 0.24 3.99 1.70 0.21 -2.57 118.95 125.95 2bbx s ARG 23 Ca -0.09 -0.97 -0.15 0.00 -0.47 0.00 0.00 55.73 54.04 2bbx s ARG 23 Cb -0.12 -2.57 0.01 0.00 -0.57 0.00 0.00 34.95 31.70 2bbx s ARG 23 CO -0.01 -0.63 0.52 -1.54 -1.08 0.00 0.00 175.30 172.56 2bbx s SER 24 N -4.43 -0.16 0.19 -2.89 1.04 -1.26 -1.59 113.70 104.60 2bbx s SER 24 Ca 0.57 -0.75 -0.18 0.00 0.48 0.00 0.00 55.95 56.07 2bbx s SER 24 Cb -0.10 0.60 0.03 0.00 0.10 0.00 0.00 66.02 66.66 2bbx s SER 24 CO 0.37 -1.14 0.54 0.00 0.98 0.00 0.00 173.24 173.99 2bbx s ARG 25 N -3.96 1.37 0.26 4.02 1.70 -1.01 -1.35 118.95 119.98 2bbx s ARG 25 Ca 0.17 -0.81 0.06 0.00 -0.47 0.00 0.00 55.73 54.67 2bbx s ARG 25 Cb -0.02 0.53 -0.06 0.00 -0.57 0.00 0.00 34.95 34.84 2bbx s ARG 25 CO 0.05 -0.59 -0.05 0.15 -1.08 0.00 0.00 175.30 173.78 2bbx s LYS 26 N -3.86 1.49 0.24 3.89 1.02 -1.26 -2.17 119.74 119.09 2bbx s LYS 26 Ca 0.08 -1.75 -0.15 0.00 0.02 0.00 0.00 55.97 54.17 2bbx s LYS 26 Cb -0.01 -1.02 0.01 0.00 -0.52 0.00 0.00 37.83 36.28 2bbx s LYS 26 CO -0.04 0.01 0.52 -0.98 -0.92 0.00 0.00 175.35 173.94 2bbx s ARG 27 N -3.75 1.53 -1.10 1.68 1.70 -0.94 -3.37 118.95 114.69 2bbx s ARG 27 Ca 0.29 -1.11 -0.08 0.00 -0.47 0.00 0.00 55.73 54.35 2bbx s ARG 27 Cb 0.04 0.50 0.28 0.00 -0.57 0.00 0.00 34.95 35.20 2bbx s ARG 27 CO 0.11 -0.65 1.10 0.39 -1.08 0.00 0.00 175.30 175.18 2bbx n GLU 28 N -0.38 3.51 -1.61 3.89 1.02 -1.26 -4.85 120.64 120.96 2bbx n GLU 28 Ca -0.04 -4.46 -0.48 0.00 -0.02 0.00 0.00 57.16 52.16 2bbx n GLU 28 Cb 0.62 -2.54 -0.04 0.00 -0.02 0.00 0.00 31.44 29.46 2bbx n GLU 28 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 2bbx n ILE 29 N 2.60 0.87 0.22 -3.67 -5.35 -1.26 -4.85 119.36 107.91 2bbx n ILE 29 Ca 0.24 -0.22 0.11 0.00 -0.27 0.00 0.00 62.75 62.61 2bbx n ILE 29 Cb 0.39 -1.06 0.33 0.00 -1.74 0.00 0.00 39.64 37.56 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 3.72 0.00 -8.15 7.28 3.38 -1.59 -3.46 115.31 116.48 2bbx h LEU 30 Ca -0.44 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.40 2bbx h LEU 30 Cb 1.32 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.91 2bbx h LEU 30 CO 0.72 0.16 -0.66 -1.00 0.09 0.00 0.00 178.44 177.75 2bbx s HIS 31 N -3.38 0.44 -1.05 1.13 3.76 -1.26 -5.07 115.29 109.86 2bbx s HIS 31 Ca 0.03 -0.91 0.15 0.00 -0.15 0.00 0.00 55.06 54.18 2bbx s HIS 31 Cb 0.08 -0.33 0.65 0.00 1.11 0.00 0.00 32.58 34.09 2bbx s HIS 31 CO 0.65 -0.35 1.47 -0.85 -0.85 0.00 0.00 174.74 174.81 2bbx n GLU 32 N 0.44 0.02 -1.13 1.40 0.28 -1.26 -3.53 120.64 116.86 2bbx n GLU 32 Ca -0.16 0.23 -0.18 0.00 -0.16 0.00 0.00 57.16 56.89 2bbx n GLU 32 Cb 0.60 -1.50 0.16 0.00 1.43 0.00 0.00 31.44 32.13 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 0.02 4.96 3.17 -1.84 0.00 -1.26 -5.00 105.19 105.25 2bbx n GLY 33 Ca 0.04 -1.40 -0.17 0.00 0.00 0.00 0.00 46.02 44.49 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 -1.61 3.28 0.00 0.00 2.01 -1.26 -4.96 115.64 113.10 2bbx s THR 35 Ca -0.00 1.04 0.00 0.00 0.31 0.00 0.00 61.69 63.04 2bbx s THR 35 Cb -0.08 -3.66 0.00 0.00 0.01 0.00 0.00 72.50 68.77 2bbx s THR 35 CO 0.02 0.15 0.54 -1.54 -0.69 0.00 0.00 174.62 173.09 2bbx n SER 36 N 2.75 1.06 -3.72 3.53 3.41 -1.26 -4.86 113.62 114.53 2bbx n SER 36 Ca 0.06 -1.14 -0.12 0.00 -0.26 0.00 0.00 58.87 57.42 2bbx n SER 36 Cb 0.43 0.00 -0.10 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 -0.14 0.43 0.19 4.33 2.12 -1.26 -2.22 118.70 122.15 2bbx s GLU 37 Ca 0.00 0.66 -0.02 0.00 0.36 0.00 0.00 54.97 55.97 2bbx s GLU 37 Cb 0.00 0.11 -0.04 0.00 0.26 0.00 0.00 34.13 34.46 2bbx s GLU 37 CO 0.00 -0.10 0.15 0.96 -0.54 0.00 0.00 175.26 175.73 2bbx s ILE 38 N 0.76 0.02 0.06 -3.70 -5.25 -0.92 -5.03 121.20 107.13 2bbx s ILE 38 Ca -0.04 -1.93 -0.00 0.00 -0.99 0.00 0.00 60.65 57.69 2bbx s ILE 38 Cb -0.05 -2.40 -0.04 0.00 2.95 0.00 0.00 42.46 42.92 2bbx s ILE 38 CO -0.06 -0.07 -0.04 -1.10 -1.79 0.00 0.00 174.94 171.88 2bbx s GLN 39 N -4.13 0.62 0.04 0.37 -0.21 -1.26 -2.42 119.66 112.68 2bbx s GLN 39 Ca 0.35 -1.15 -0.06 0.00 0.02 0.00 0.00 55.36 54.53 2bbx s GLN 39 Cb 0.06 0.07 -0.01 0.00 1.00 0.00 0.00 33.01 34.13 2bbx s GLN 39 CO 0.10 -0.07 0.10 -1.21 -2.12 0.00 0.00 175.29 172.09 2bbx s GLU 40 N -3.48 0.62 0.45 2.91 0.41 -0.62 -4.99 118.70 114.00 2bbx s GLU 40 Ca 0.04 -0.81 -0.24 0.00 -0.41 0.00 0.00 54.97 53.55 2bbx s GLU 40 Cb 0.04 0.24 -0.08 0.00 -1.78 0.00 0.00 34.13 32.56 2bbx s GLU 40 CO -0.07 -0.16 1.31 -1.14 -0.49 0.00 0.00 175.26 174.71 2bbx s GLN 41 N -2.84 3.71 0.22 1.61 0.74 -1.26 -0.62 119.66 121.22 2bbx s GLN 41 Ca -0.03 2.14 -0.06 0.00 0.05 0.00 0.00 55.36 57.46 2bbx s GLN 41 Cb 0.00 -2.57 -0.02 0.00 1.10 0.00 0.00 33.01 31.52 2bbx s GLN 41 CO -0.06 -0.70 0.27 0.00 -0.55 0.00 0.00 175.29 174.26 2bbx s GLU 43 N -4.09 0.62 0.31 0.00 2.12 -1.26 -1.02 118.70 115.37 2bbx s GLU 43 Ca 0.31 0.04 0.03 0.00 0.36 0.00 0.00 54.97 55.72 2bbx s GLU 43 Cb 0.04 0.28 -0.04 0.00 0.26 0.00 0.00 34.13 34.67 2bbx s GLU 43 CO 0.10 -0.15 0.14 -1.21 -0.54 0.00 0.00 175.26 173.60 2bbx s GLU 44 N -0.87 1.60 1.33 4.30 0.41 -0.93 -5.01 118.70 119.54 2bbx s GLU 44 Ca -0.09 -1.91 -0.19 0.00 -0.41 0.00 0.00 54.97 52.36 2bbx s GLU 44 Cb -0.04 -0.24 0.34 0.00 -1.78 0.00 0.00 34.13 32.40 2bbx s GLU 44 CO 0.03 -0.41 0.97 -1.21 -0.49 0.00 0.00 175.26 174.16 2bbx s GLU 45 N -3.85 -2.20 0.62 1.61 2.02 -1.26 -4.23 118.70 111.42 2bbx s GLU 45 Ca 0.35 0.35 -0.18 0.00 0.02 0.00 0.00 54.97 55.51 2bbx s GLU 45 Cb 0.05 -1.44 -0.04 0.00 0.10 0.00 0.00 34.13 32.80 2bbx s GLU 45 CO 0.16 -4.44 0.91 0.54 0.02 0.00 0.00 175.26 172.45 2bbx n ARG 46 N -5.36 0.78 -1.62 1.61 1.74 -1.26 -3.47 116.66 109.08 2bbx n ARG 46 Ca 0.09 0.31 -0.38 0.00 -0.77 0.00 0.00 57.85 57.10 2bbx n ARG 46 Cb 0.58 -2.13 0.05 0.00 -1.02 0.00 0.00 32.46 29.94 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 -2.70 2.08 0.00 0.00 0.04 -1.26 -5.01 135.00 128.15 2bbx s PRO 48 Ca 0.74 0.92 0.00 0.00 0.04 0.00 0.00 61.00 62.70 2bbx s PRO 48 Cb -0.43 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.22 2bbx s PRO 48 CO 0.48 -1.70 0.23 -2.30 0.04 0.00 0.00 177.00 173.76