#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2sh1 s ALA 2 N 0.00 3.66 0.01 0.00 0.00 -1.26 -0.76 121.76 123.41 2sh1 s ALA 2 Ca 0.00 1.18 0.08 0.00 0.00 0.00 0.00 51.96 53.22 2sh1 s ALA 2 Cb 0.00 -3.59 -0.02 0.00 0.00 0.00 0.00 23.12 19.51 2sh1 s ALA 2 CO 0.00 -0.76 -0.26 0.00 0.00 0.00 0.00 175.76 174.74 2sh1 s LYS 4 N -0.91 3.18 -0.65 0.00 1.02 -1.26 -3.38 119.74 117.75 2sh1 s LYS 4 Ca 0.10 0.71 -0.26 0.00 0.02 0.00 0.00 55.97 56.54 2sh1 s LYS 4 Cb -0.10 -4.19 -0.03 0.00 -0.52 0.00 0.00 37.83 33.00 2sh1 s LYS 4 CO 0.00 -2.06 1.91 0.00 -0.92 0.00 0.00 175.35 174.28 2sh1 h ASP 6 N 14.71 -0.07 -2.35 0.00 5.19 -1.70 -2.41 116.42 129.79 2sh1 h ASP 6 Ca -0.21 0.16 -0.81 0.00 -0.62 0.00 0.00 57.03 55.56 2sh1 h ASP 6 Cb 1.14 0.23 -0.27 0.00 0.18 0.00 0.00 39.33 40.62 2sh1 h ASP 6 CO 1.21 -0.08 0.99 0.47 -3.12 0.00 0.00 179.24 178.71 2sh1 n ASP 7 N -5.20 7.21 -3.89 6.45 9.92 0.43 0.15 116.55 131.62 2sh1 n ASP 7 Ca 0.14 -3.65 -0.43 0.00 -0.53 0.00 0.00 54.79 50.33 2sh1 n ASP 7 Cb 0.48 -1.18 0.00 0.00 -0.64 0.00 0.00 41.12 39.78 2sh1 n ASP 7 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 2sh1 n GLU 8 N 0.14 3.64 0.00 -1.24 2.13 -0.91 -4.77 120.64 119.64 2sh1 n GLU 8 Ca 0.44 -3.57 0.00 0.00 0.66 0.00 0.00 57.16 54.68 2sh1 n GLU 8 Cb 0.27 -2.91 0.00 0.00 0.27 0.00 0.00 31.44 29.07 2sh1 n GLU 8 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2sh1 n GLY 9 N 2.80 1.67 3.62 8.31 0.00 -1.26 -4.84 105.19 115.49 2sh1 n GLY 9 Ca 0.39 -0.33 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 2sh1 n GLY 9 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2sh1 s PRO 10 N 0.00 -1.20 -0.69 1.61 0.02 -1.26 -4.99 135.00 128.48 2sh1 s PRO 10 Ca 0.00 -0.17 -0.17 0.00 0.02 0.00 0.00 61.00 60.68 2sh1 s PRO 10 Cb 0.00 -1.61 0.14 0.00 0.02 0.00 0.00 34.50 33.05 2sh1 s PRO 10 CO 0.00 -3.68 0.75 0.34 -0.33 0.00 0.00 177.00 174.09 2sh1 s ASP 11 N -4.05 6.39 -0.26 2.53 -1.08 -1.26 -4.12 116.67 114.83 2sh1 s ASP 11 Ca 0.72 -1.88 -0.01 0.00 -0.52 0.00 0.00 52.55 50.86 2sh1 s ASP 11 Cb -0.08 -2.28 0.08 0.00 -1.46 0.00 0.00 42.92 39.18 2sh1 s ASP 11 CO 0.56 -0.94 0.04 0.27 0.52 0.00 0.00 175.17 175.61 2sh1 s ILE 12 N 1.92 1.02 0.18 4.11 -4.36 0.12 -4.99 121.20 119.21 2sh1 s ILE 12 Ca 0.15 -1.17 -0.13 0.00 -0.26 0.00 0.00 60.65 59.24 2sh1 s ILE 12 Cb -0.19 -1.58 0.08 0.00 1.25 0.00 0.00 42.46 42.02 2sh1 s ILE 12 CO -0.00 -0.39 1.76 0.03 0.24 0.00 0.00 174.94 176.58 2sh1 h ARG 13 N 8.07 0.39 -3.35 0.37 3.08 -1.87 -3.20 114.38 117.86 2sh1 h ARG 13 Ca -0.15 -0.02 -0.71 0.00 0.07 0.00 0.00 59.98 59.17 2sh1 h ARG 13 Cb 1.06 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.98 2sh1 h ARG 13 CO 0.42 0.26 3.10 0.25 -1.07 0.00 0.00 179.97 182.92 2sh1 n THR 14 N -4.96 4.18 -3.77 2.04 -2.24 -1.26 -4.64 114.28 103.63 2sh1 n THR 14 Ca 0.05 -3.29 -0.36 0.00 -2.27 0.00 0.00 64.05 58.17 2sh1 n THR 14 Cb 0.17 -2.49 -0.06 0.00 -2.10 0.00 0.00 70.33 65.86 2sh1 n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2sh1 s ALA 15 N 1.70 3.84 -0.69 6.98 0.00 -1.21 -5.02 121.76 127.36 2sh1 s ALA 15 Ca 0.55 -0.56 -0.11 0.00 0.00 0.00 0.00 51.96 51.84 2sh1 s ALA 15 Cb 0.15 -2.07 -0.09 0.00 0.00 0.00 0.00 23.12 21.11 2sh1 s ALA 15 CO -0.06 0.62 1.86 -2.30 0.00 0.00 0.00 175.76 175.88 2sh1 n PRO 16 N 1.53 1.50 0.00 0.00 -0.02 -1.26 -4.68 135.00 132.06 2sh1 n PRO 16 Ca -0.15 -1.40 0.00 0.00 -2.02 0.00 0.00 63.50 59.93 2sh1 n PRO 16 Cb 0.54 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 2sh1 n PRO 16 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2sh1 n LEU 17 N 5.51 0.00 0.00 2.45 4.77 -1.26 -4.83 117.00 123.64 2sh1 n LEU 17 Ca 0.40 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 2sh1 n LEU 17 Cb 0.20 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 2sh1 n LEU 17 CO 0.80 0.00 0.00 0.35 -1.33 0.00 0.00 177.39 177.21 2sh1 n THR 18 N 0.00 0.00 -3.96 -5.08 -2.24 -1.26 -2.56 114.28 99.18 2sh1 n THR 18 Ca 0.00 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.55 2sh1 n THR 18 Cb 0.00 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 2sh1 n THR 18 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2sh1 s GLY 19 N -0.39 2.12 0.05 3.38 0.00 -1.22 -4.38 107.32 106.88 2sh1 s GLY 19 Ca 0.00 -1.93 0.06 0.00 0.00 0.00 0.00 44.72 42.85 2sh1 s GLY 19 CO 0.00 -1.78 -0.16 -1.59 0.00 0.00 0.00 173.10 169.57 2sh1 s THR 20 N -2.49 1.25 -0.63 0.90 2.01 0.05 -0.73 115.64 116.00 2sh1 s THR 20 Ca 0.42 -1.14 -0.27 0.00 0.31 0.00 0.00 61.69 61.00 2sh1 s THR 20 Cb -0.01 -1.14 0.01 0.00 0.01 0.00 0.00 72.50 71.38 2sh1 s THR 20 CO 0.24 -0.02 1.44 -0.69 -0.69 0.00 0.00 174.62 174.91 2sh1 s VAL 21 N -0.96 3.70 -0.14 3.82 1.01 0.06 -0.95 120.40 126.94 2sh1 s VAL 21 Ca 0.02 0.51 -0.09 0.00 0.00 0.00 0.00 61.98 62.42 2sh1 s VAL 21 Cb -0.09 -4.51 -0.05 0.00 0.00 0.00 0.00 36.38 31.74 2sh1 s VAL 21 CO 0.02 -1.34 0.17 -1.81 0.00 0.00 0.00 175.10 172.14 2sh1 s ASP 22 N 4.81 6.37 0.27 3.32 1.11 0.44 -4.31 116.67 128.67 2sh1 s ASP 22 Ca 0.49 0.43 -0.31 0.00 0.18 0.00 0.00 52.55 53.35 2sh1 s ASP 22 Cb -0.10 -2.10 -0.12 0.00 1.07 0.00 0.00 42.92 41.66 2sh1 s ASP 22 CO 0.21 0.29 1.53 0.18 1.18 0.00 0.00 175.17 178.56 2sh1 n LEU 23 N 2.68 3.87 0.00 1.23 4.77 -1.26 -1.26 117.00 127.02 2sh1 n LEU 23 Ca -0.17 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.95 2sh1 n LEU 23 Cb 0.53 -1.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.09 2sh1 n LEU 23 CO 0.35 -0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 2sh1 n GLY 24 N 2.26 1.67 0.00 -0.72 0.00 0.38 -4.22 105.19 104.57 2sh1 n GLY 24 Ca 0.10 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.34 2sh1 n GLY 24 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2sh1 n SER 25 N 4.50 0.00 -4.52 1.61 2.88 -1.26 -3.47 113.62 113.37 2sh1 n SER 25 Ca 0.00 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.29 2sh1 n SER 25 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 2sh1 n SER 25 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2sh1 s ASN 27 N -3.60 4.92 -0.24 0.00 0.02 -1.26 -4.87 114.94 109.91 2sh1 s ASN 27 Ca 0.34 -0.65 -0.35 0.00 -1.02 0.00 0.00 52.86 51.17 2sh1 s ASN 27 Cb 0.09 -0.84 -0.12 0.00 0.02 0.00 0.00 41.25 40.40 2sh1 s ASN 27 CO 0.16 -0.30 2.01 0.00 0.02 0.00 0.00 177.10 178.99 2sh1 n ALA 28 N -1.22 0.84 -0.15 0.60 0.00 -1.26 -0.86 120.51 118.46 2sh1 n ALA 28 Ca -0.03 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2sh1 n ALA 28 Cb 0.61 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 17.55 2sh1 n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2sh1 n GLY 29 N 5.32 0.80 3.64 0.00 0.00 -1.26 -5.05 105.19 108.65 2sh1 n GLY 29 Ca 0.31 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.99 2sh1 n GLY 29 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2sh1 s TRP 30 N -2.46 3.22 0.09 1.61 0.52 -0.04 -2.47 118.94 119.41 2sh1 s TRP 30 Ca 0.00 0.07 0.09 0.00 0.02 0.00 0.00 56.10 56.29 2sh1 s TRP 30 Cb 0.00 -1.97 -0.03 0.00 -1.15 0.00 0.00 33.47 30.31 2sh1 s TRP 30 CO 0.00 0.25 -0.24 -1.21 0.02 0.00 0.00 176.95 175.77 2sh1 s GLU 31 N -0.06 1.37 0.09 4.98 2.02 0.01 -4.32 118.70 122.79 2sh1 s GLU 31 Ca 0.05 -1.18 -0.31 0.00 0.02 0.00 0.00 54.97 53.56 2sh1 s GLU 31 Cb -0.12 -1.68 -0.10 0.00 0.10 0.00 0.00 34.13 32.33 2sh1 s GLU 31 CO 0.01 0.41 1.91 1.63 0.02 0.00 0.00 175.26 179.24 2sh1 n LYS 32 N 1.27 2.85 -0.06 1.61 5.02 -1.26 -0.20 118.16 127.39 2sh1 n LYS 32 Ca -0.18 1.04 -0.06 0.00 -2.02 0.00 0.00 58.31 57.09 2sh1 n LYS 32 Cb 0.53 -2.97 -0.08 0.00 -0.02 0.00 0.00 35.03 32.49 2sh1 n LYS 32 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2sh1 s ALA 34 N -2.26 1.42 0.11 0.00 0.00 0.01 -0.43 121.76 120.62 2sh1 s ALA 34 Ca -0.08 -1.18 -0.32 0.00 0.00 0.00 0.00 51.96 50.38 2sh1 s ALA 34 Cb 0.04 -1.39 -0.12 0.00 0.00 0.00 0.00 23.12 21.64 2sh1 s ALA 34 CO 0.41 -1.34 1.52 0.66 0.00 0.00 0.00 175.76 177.01 2sh1 h SER 35 N 8.12 -1.61 -3.34 0.00 4.64 -1.89 -2.51 113.55 116.96 2sh1 h SER 35 Ca -0.16 0.19 -0.65 0.00 -0.47 0.00 0.00 61.79 60.71 2sh1 h SER 35 Cb 1.07 0.62 -0.24 0.00 -0.31 0.00 0.00 62.40 63.55 2sh1 h SER 35 CO 0.40 -0.46 -0.70 -0.47 -0.87 0.00 0.00 176.83 174.73 2sh1 s TYR 36 N -5.53 2.97 0.00 4.77 5.04 -1.26 -4.44 117.35 118.90 2sh1 s TYR 36 Ca -0.14 -0.49 0.00 0.00 -2.44 0.00 0.00 57.07 54.00 2sh1 s TYR 36 Cb 0.07 -1.97 0.00 0.00 0.35 0.00 0.00 41.96 40.40 2sh1 s TYR 36 CO 0.57 -0.18 0.00 0.98 -1.34 0.00 0.00 175.55 175.58 2sh1 n TYR 37 N 3.82 0.00 -4.20 4.97 9.36 -1.26 -4.85 117.16 125.00 2sh1 n TYR 37 Ca -0.18 0.00 -0.18 0.00 3.32 0.00 0.00 57.90 60.86 2sh1 n TYR 37 Cb 0.52 0.00 -0.12 0.00 -0.63 0.00 0.00 39.34 39.12 2sh1 n TYR 37 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 2sh1 s THR 38 N -0.82 1.20 0.53 2.97 -4.23 0.06 -5.03 115.64 110.31 2sh1 s THR 38 Ca 0.00 -1.50 0.40 0.00 -1.18 0.00 0.00 61.69 59.41 2sh1 s THR 38 Cb 0.00 -1.29 0.60 0.00 1.34 0.00 0.00 72.50 73.16 2sh1 s THR 38 CO 0.00 -0.32 1.70 -0.29 -0.54 0.00 0.00 174.62 175.17 2sh1 h ILE 39 N 3.93 0.24 -0.15 2.99 6.09 -1.99 -1.10 117.51 127.51 2sh1 h ILE 39 Ca -0.40 -0.01 0.00 0.00 -1.37 0.00 0.00 64.86 63.07 2sh1 h ILE 39 Cb 1.19 0.20 0.00 0.00 0.47 0.00 0.00 36.82 38.68 2sh1 h ILE 39 CO 0.45 0.01 0.00 2.30 -3.07 0.00 0.00 178.15 177.84 2sh1 n ILE 40 N -4.19 0.28 -3.44 2.19 -6.64 -1.26 -4.87 119.36 101.42 2sh1 n ILE 40 Ca 0.34 -0.64 0.01 0.00 -1.77 0.00 0.00 62.75 60.69 2sh1 n ILE 40 Cb 1.52 1.10 -0.04 0.00 -1.44 0.00 0.00 39.64 40.78 2sh1 n ILE 40 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2sh1 s ALA 41 N -1.24 -2.59 0.24 -1.28 0.00 -0.42 -0.47 121.76 116.00 2sh1 s ALA 41 Ca 0.23 2.10 0.10 0.00 0.00 0.00 0.00 51.96 54.39 2sh1 s ALA 41 Cb 0.14 -2.01 -0.04 0.00 0.00 0.00 0.00 23.12 21.21 2sh1 s ALA 41 CO 0.21 -0.96 -0.09 -0.51 0.00 0.00 0.00 175.76 174.41 2sh1 s ASP 42 N 2.55 4.16 -0.43 0.00 1.01 -0.39 -0.76 116.67 122.81 2sh1 s ASP 42 Ca -0.03 -0.72 -0.19 0.00 0.71 0.00 0.00 52.55 52.31 2sh1 s ASP 42 Cb -0.07 -0.64 0.02 0.00 1.01 0.00 0.00 42.92 43.24 2sh1 s ASP 42 CO -0.18 0.05 0.55 0.00 0.21 0.00 0.00 175.17 175.80 2sh1 s ARG 45 N -1.46 2.52 -1.00 0.00 3.52 0.72 -0.77 118.95 122.49 2sh1 s ARG 45 Ca 0.13 -0.73 -0.23 0.00 -0.13 0.00 0.00 55.73 54.77 2sh1 s ARG 45 Cb -0.10 -2.47 0.02 0.00 -1.56 0.00 0.00 34.95 30.84 2sh1 s ARG 45 CO 0.03 0.60 1.61 0.21 -0.81 0.00 0.00 175.30 176.94 2sh1 s LYS 46 N -1.30 3.30 -0.17 5.12 2.47 -1.26 -0.80 119.74 127.10 2sh1 s LYS 46 Ca 0.16 -0.93 -0.15 0.00 -1.56 0.00 0.00 55.97 53.49 2sh1 s LYS 46 Cb -0.11 -5.28 0.05 0.00 -1.46 0.00 0.00 37.83 31.02 2sh1 s LYS 46 CO 0.06 -2.56 0.45 -1.59 0.16 0.00 0.00 175.35 171.87 2sh1 s LYS 47 N 5.53 0.51 0.00 4.03 -2.85 -1.03 -5.00 119.74 120.93 2sh1 s LYS 47 Ca 0.53 0.66 0.27 0.00 -1.00 0.00 0.00 55.97 56.44 2sh1 s LYS 47 Cb -0.02 0.21 1.62 0.00 -2.06 0.00 0.00 37.83 37.58 2sh1 s LYS 47 CO -0.06 -0.08 1.97 1.63 0.10 0.00 0.00 175.35 178.91