#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 0.26 0.00 1.61 0.01 -1.26 -5.08 113.70 109.25 2bbx s SER 2 Ca 0.00 -0.67 0.00 0.00 1.31 0.00 0.00 55.95 56.59 2bbx s SER 2 Cb 0.00 0.22 0.00 0.00 0.21 0.00 0.00 66.02 66.45 2bbx s SER 2 CO 0.00 -0.53 0.78 0.00 0.41 0.00 0.00 173.24 173.90 2bbx n ALA 3 N 0.61 2.01 -0.82 1.44 0.00 -1.26 -4.95 120.51 117.53 2bbx n ALA 3 Ca -0.18 -0.56 0.01 0.00 0.00 0.00 0.00 53.44 52.71 2bbx n ALA 3 Cb 0.59 -0.28 0.01 0.00 0.00 0.00 0.00 19.45 19.77 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 0.00 0.69 -1.52 0.00 7.64 -1.26 -5.04 113.62 114.14 2bbx n SER 4 Ca -0.00 -1.49 -0.19 0.00 1.01 0.00 0.00 58.87 58.20 2bbx n SER 4 Cb 0.61 -0.04 -0.08 0.00 -1.01 0.00 0.00 64.21 63.69 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 -0.32 0.20 3.32 0.00 0.00 -1.26 -3.98 105.19 103.14 2bbx n GLY 6 Ca -0.19 -0.90 -0.17 0.00 0.00 0.00 0.00 46.02 44.76 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 1.01 1.61 -7.23 -1.26 -5.08 120.40 110.68 2bbx s VAL 7 Ca 0.00 -2.08 -0.13 0.00 -1.81 0.00 0.00 61.98 57.97 2bbx s VAL 7 Cb 0.00 -2.17 0.19 0.00 0.56 0.00 0.00 36.38 34.96 2bbx s VAL 7 CO 0.00 -0.48 1.10 0.26 -0.31 0.00 0.00 175.10 175.67 2bbx s TRP 8 N -3.29 2.04 0.00 2.82 0.52 -1.26 -4.71 118.94 115.06 2bbx s TRP 8 Ca 0.24 0.92 0.00 0.00 0.02 0.00 0.00 56.10 57.28 2bbx s TRP 8 Cb 0.04 -3.30 0.00 0.00 -1.15 0.00 0.00 33.47 29.05 2bbx s TRP 8 CO 0.06 -2.94 0.00 -3.47 0.02 0.00 0.00 176.95 170.62 2bbx n ASP 9 N -4.19 0.28 -4.75 2.95 2.03 -1.21 -5.04 116.55 106.62 2bbx n ASP 9 Ca 0.06 -0.86 -0.37 0.00 0.52 0.00 0.00 54.79 54.13 2bbx n ASP 9 Cb 0.58 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 41.01 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 -1.34 3.17 0.96 -0.67 2.02 -1.26 -4.92 118.70 116.66 2bbx s GLU 10 Ca 0.00 1.97 -0.12 0.00 0.02 0.00 0.00 54.97 56.84 2bbx s GLU 10 Cb 0.00 -2.13 0.17 0.00 0.10 0.00 0.00 34.13 32.26 2bbx s GLU 10 CO 0.00 -1.09 1.09 -1.58 0.02 0.00 0.00 175.26 173.71 2bbx s TRP 11 N -1.47 2.18 0.37 1.61 0.52 -1.26 -4.69 118.94 116.19 2bbx s TRP 11 Ca 0.73 1.07 0.08 0.00 0.02 0.00 0.00 56.10 58.00 2bbx s TRP 11 Cb -0.34 -3.23 -0.06 0.00 -1.15 0.00 0.00 33.47 28.69 2bbx s TRP 11 CO 0.39 -2.72 0.06 -1.54 0.02 0.00 0.00 176.95 173.16 2bbx s SER 12 N -3.47 4.23 0.82 2.95 1.04 -0.79 -5.01 113.70 113.46 2bbx s SER 12 Ca 0.65 -1.05 -0.11 0.00 0.48 0.00 0.00 55.95 55.91 2bbx s SER 12 Cb -0.18 -0.51 0.08 0.00 0.10 0.00 0.00 66.02 65.51 2bbx s SER 12 CO 0.57 -0.35 1.09 -2.16 0.98 0.00 0.00 173.24 173.37 2bbx s PRO 13 N -3.77 1.88 0.57 4.02 0.04 -1.26 -4.44 135.00 132.02 2bbx s PRO 13 Ca 0.37 0.95 -0.21 0.00 0.04 0.00 0.00 61.00 62.15 2bbx s PRO 13 Cb 0.02 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.65 2bbx s PRO 13 CO 0.20 -1.85 1.34 0.00 0.04 0.00 0.00 177.00 176.73 2bbx n SER 15 N -1.21 0.00 -4.22 0.00 3.41 -0.58 -4.80 113.62 106.22 2bbx n SER 15 Ca 0.11 0.33 -0.13 0.00 -0.26 0.00 0.00 58.87 58.92 2bbx n SER 15 Cb 0.46 -0.40 -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 -2.81 0.14 -0.06 -3.33 -7.23 -1.26 -4.98 120.40 100.88 2bbx s VAL 16 Ca 0.08 -1.99 0.14 0.00 -1.81 0.00 0.00 61.98 58.40 2bbx s VAL 16 Cb 0.08 -2.44 0.26 0.00 0.56 0.00 0.00 36.38 34.84 2bbx s VAL 16 CO 0.20 -0.09 1.12 0.35 -0.31 0.00 0.00 175.10 176.37 2bbx n THR 17 N -0.28 0.71 -0.22 5.32 -2.24 -1.26 -4.78 114.28 111.53 2bbx n THR 17 Ca 0.00 -1.27 0.00 0.00 -2.27 0.00 0.00 64.05 60.51 2bbx n THR 17 Cb 0.66 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 69.29 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 -0.85 3.82 0.00 0.00 -1.24 -4.29 105.19 102.63 2bbx n GLY 19 Ca 0.00 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.07 3.94 0.00 1.61 1.02 -1.26 -1.56 119.74 123.42 2bbx s LYS 20 Ca 0.00 1.16 0.00 0.00 0.02 0.00 0.00 55.97 57.15 2bbx s LYS 20 Cb 0.00 -2.13 0.00 0.00 -0.52 0.00 0.00 37.83 35.18 2bbx s LYS 20 CO 0.00 -0.29 0.00 0.41 -0.92 0.00 0.00 175.35 174.55 2bbx n GLY 21 N -0.79 2.84 3.06 -3.33 0.00 -0.46 -4.88 105.19 101.62 2bbx n GLY 21 Ca 0.08 -0.43 -0.16 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.10 0.69 0.37 2.61 -4.23 -1.26 -1.23 115.64 111.48 2bbx s THR 22 Ca 0.00 -0.83 0.08 0.00 -1.18 0.00 0.00 61.69 59.76 2bbx s THR 22 Cb 0.00 -0.67 -0.05 0.00 1.34 0.00 0.00 72.50 73.12 2bbx s THR 22 CO 0.00 -0.13 0.08 0.00 -0.54 0.00 0.00 174.62 174.03 2bbx s ARG 23 N -1.06 2.14 0.20 3.99 1.70 0.06 -1.53 118.95 124.44 2bbx s ARG 23 Ca -0.03 -1.79 -0.08 0.00 -0.47 0.00 0.00 55.73 53.36 2bbx s ARG 23 Cb -0.07 -1.94 -0.02 0.00 -0.57 0.00 0.00 34.95 32.35 2bbx s ARG 23 CO 0.01 0.04 0.29 -1.54 -1.08 0.00 0.00 175.30 173.01 2bbx s SER 24 N -3.79 0.04 0.16 -2.89 1.04 -1.26 -1.71 113.70 105.29 2bbx s SER 24 Ca 0.37 -1.03 -0.16 0.00 0.48 0.00 0.00 55.95 55.62 2bbx s SER 24 Cb 0.02 0.46 0.03 0.00 0.10 0.00 0.00 66.02 66.62 2bbx s SER 24 CO 0.21 -0.94 0.43 0.00 0.98 0.00 0.00 173.24 173.91 2bbx s ARG 25 N -4.03 1.21 0.27 4.02 1.70 -1.10 -1.89 118.95 119.12 2bbx s ARG 25 Ca 0.24 -0.84 0.07 0.00 -0.47 0.00 0.00 55.73 54.73 2bbx s ARG 25 Cb 0.03 0.48 -0.06 0.00 -0.57 0.00 0.00 34.95 34.83 2bbx s ARG 25 CO 0.06 -0.49 -0.08 0.15 -1.08 0.00 0.00 175.30 173.86 2bbx s LYS 26 N -3.86 1.53 0.14 3.89 1.02 -1.26 -2.42 119.74 118.78 2bbx s LYS 26 Ca 0.08 -1.76 -0.14 0.00 0.02 0.00 0.00 55.97 54.17 2bbx s LYS 26 Cb 0.01 -1.19 0.02 0.00 -0.52 0.00 0.00 37.83 36.15 2bbx s LYS 26 CO -0.06 0.07 0.37 -0.98 -0.92 0.00 0.00 175.35 173.83 2bbx s ARG 27 N -3.70 1.09 -1.14 1.68 1.70 -0.88 -3.31 118.95 114.39 2bbx s ARG 27 Ca 0.29 -0.84 -0.12 0.00 -0.47 0.00 0.00 55.73 54.58 2bbx s ARG 27 Cb 0.03 0.44 0.22 0.00 -0.57 0.00 0.00 34.95 35.07 2bbx s ARG 27 CO 0.11 -0.42 1.25 -1.21 -1.08 0.00 0.00 175.30 173.96 2bbx s GLU 28 N -3.85 4.09 0.16 3.89 2.02 -1.26 -4.81 118.70 118.94 2bbx s GLU 28 Ca 0.06 -2.81 -0.34 0.00 0.02 0.00 0.00 54.97 51.90 2bbx s GLU 28 Cb 0.02 -4.81 -0.15 0.00 0.10 0.00 0.00 34.13 29.29 2bbx s GLU 28 CO -0.09 -1.52 1.42 0.44 0.02 0.00 0.00 175.26 175.52 2bbx n ILE 29 N 3.82 0.31 0.20 -1.63 -5.35 -1.26 -4.88 119.36 110.57 2bbx n ILE 29 Ca 0.30 -0.08 0.09 0.00 -0.27 0.00 0.00 62.75 62.79 2bbx n ILE 29 Cb 0.42 -1.22 0.16 0.00 -1.74 0.00 0.00 39.64 37.26 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 4.82 0.00 -7.99 7.28 3.38 -1.96 -3.46 115.31 117.38 2bbx h LEU 30 Ca -0.45 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.30 2bbx h LEU 30 Cb 1.29 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.82 2bbx h LEU 30 CO 0.80 0.19 -0.71 -1.00 0.09 0.00 0.00 178.44 177.81 2bbx s HIS 31 N -3.17 0.34 0.38 1.13 3.76 -1.26 -5.00 115.29 111.47 2bbx s HIS 31 Ca 0.05 -0.42 -0.27 0.00 -0.15 0.00 0.00 55.06 54.27 2bbx s HIS 31 Cb 0.06 -0.23 -0.09 0.00 1.11 0.00 0.00 32.58 33.44 2bbx s HIS 31 CO 0.69 -0.13 1.28 -2.00 -0.85 0.00 0.00 174.74 173.73 2bbx s GLU 32 N -1.21 4.10 0.00 1.40 2.12 -1.26 -3.58 118.70 120.27 2bbx s GLU 32 Ca -0.11 2.11 0.00 0.00 0.36 0.00 0.00 54.97 57.33 2bbx s GLU 32 Cb -0.08 -2.84 0.00 0.00 0.26 0.00 0.00 34.13 31.47 2bbx s GLU 32 CO -0.00 -0.37 0.00 0.41 -0.54 0.00 0.00 175.26 174.76 2bbx n GLY 33 N 0.71 3.42 3.76 -1.50 0.00 -1.26 -5.08 105.19 105.24 2bbx n GLY 33 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.55 3.32 0.00 0.00 2.01 -1.26 -4.95 115.64 113.21 2bbx s THR 35 Ca 0.73 1.02 0.00 0.00 0.31 0.00 0.00 61.69 63.74 2bbx s THR 35 Cb -0.31 -3.65 0.00 0.00 0.01 0.00 0.00 72.50 68.55 2bbx s THR 35 CO 0.35 0.12 0.48 -1.54 -0.69 0.00 0.00 174.62 173.34 2bbx n SER 36 N 3.25 0.97 -3.70 3.53 3.41 -1.26 -4.88 113.62 114.94 2bbx n SER 36 Ca 0.08 -1.02 -0.12 0.00 -0.26 0.00 0.00 58.87 57.56 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 -0.02 0.51 0.22 4.33 2.12 -1.26 -2.07 118.70 122.53 2bbx s GLU 37 Ca 0.00 0.76 -0.02 0.00 0.36 0.00 0.00 54.97 56.08 2bbx s GLU 37 Cb 0.00 0.15 -0.04 0.00 0.26 0.00 0.00 34.13 34.51 2bbx s GLU 37 CO 0.00 -0.11 0.18 0.96 -0.54 0.00 0.00 175.26 175.75 2bbx s ILE 38 N 0.79 0.00 0.10 -3.70 -5.25 -1.02 -5.04 121.20 107.09 2bbx s ILE 38 Ca -0.04 -1.93 -0.02 0.00 -0.99 0.00 0.00 60.65 57.66 2bbx s ILE 38 Cb -0.05 -2.47 -0.03 0.00 2.95 0.00 0.00 42.46 42.85 2bbx s ILE 38 CO -0.06 0.00 0.06 -1.10 -1.79 0.00 0.00 174.94 172.04 2bbx s GLN 39 N -4.08 0.83 0.18 0.37 -0.21 -1.26 -2.71 119.66 112.78 2bbx s GLN 39 Ca 0.37 -1.30 -0.14 0.00 0.02 0.00 0.00 55.36 54.31 2bbx s GLN 39 Cb 0.06 0.25 0.01 0.00 1.00 0.00 0.00 33.01 34.33 2bbx s GLN 39 CO 0.13 -0.22 0.42 -1.83 -2.12 0.00 0.00 175.29 171.67 2bbx s GLU 40 N -3.98 1.27 0.61 2.91 -1.05 -0.69 -5.00 118.70 112.76 2bbx s GLU 40 Ca 0.16 -0.98 -0.19 0.00 -0.15 0.00 0.00 54.97 53.82 2bbx s GLU 40 Cb 0.07 0.46 -0.03 0.00 -0.44 0.00 0.00 34.13 34.19 2bbx s GLU 40 CO -0.03 -0.51 1.25 -0.65 0.95 0.00 0.00 175.26 176.26 2bbx s GLN 41 N -3.91 2.82 0.21 -4.83 -0.21 -1.26 -0.76 119.66 111.72 2bbx s GLN 41 Ca 0.12 1.94 -0.04 0.00 0.02 0.00 0.00 55.36 57.40 2bbx s GLN 41 Cb 0.01 -1.91 -0.03 0.00 1.00 0.00 0.00 33.01 32.08 2bbx s GLN 41 CO -0.02 -1.36 0.21 0.00 -2.12 0.00 0.00 175.29 172.00 2bbx s GLU 43 N -4.12 0.52 0.26 0.00 2.12 -1.26 -1.36 118.70 114.86 2bbx s GLU 43 Ca 0.35 0.14 0.01 0.00 0.36 0.00 0.00 54.97 55.84 2bbx s GLU 43 Cb 0.05 0.24 -0.05 0.00 0.26 0.00 0.00 34.13 34.63 2bbx s GLU 43 CO 0.12 -0.11 0.10 -1.21 -0.54 0.00 0.00 175.26 173.61 2bbx s GLU 44 N -0.55 1.43 1.21 4.30 0.41 -0.60 -4.98 118.70 119.92 2bbx s GLU 44 Ca -0.07 -1.78 -0.16 0.00 -0.41 0.00 0.00 54.97 52.56 2bbx s GLU 44 Cb -0.04 -0.29 0.29 0.00 -1.78 0.00 0.00 34.13 32.32 2bbx s GLU 44 CO 0.02 -0.30 1.02 -1.21 -0.49 0.00 0.00 175.26 174.30 2bbx s GLU 45 N -4.02 -1.27 0.94 1.61 2.02 -1.26 -3.71 118.70 113.01 2bbx s GLU 45 Ca 0.38 0.52 -0.11 0.00 0.02 0.00 0.00 54.97 55.78 2bbx s GLU 45 Cb 0.08 -1.54 0.13 0.00 0.10 0.00 0.00 34.13 32.90 2bbx s GLU 45 CO 0.14 -3.88 0.95 0.54 0.02 0.00 0.00 175.26 173.03 2bbx n ARG 46 N -4.98 -0.56 -1.54 1.61 1.74 -1.26 -2.90 116.66 108.78 2bbx n ARG 46 Ca 0.06 -0.10 -0.40 0.00 -0.77 0.00 0.00 57.85 56.63 2bbx n ARG 46 Cb 0.57 -2.23 0.02 0.00 -1.02 0.00 0.00 32.46 29.79 2bbx n ARG 46 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2bbx n PRO 48 N 0.08 0.38 0.00 0.00 -0.02 -1.26 -5.03 135.00 129.16 2bbx n PRO 48 Ca 0.11 0.18 0.05 0.00 -2.02 0.00 0.00 63.50 61.82 2bbx n PRO 48 Cb 0.42 -2.08 0.31 0.00 -0.02 0.00 0.00 33.50 32.13 2bbx n PRO 48 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13