#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 3.36 0.58 0.00 0.00 -1.25 -1.49 121.76 122.95 2sh1 s ALA 2 Ca 0.00 -2.22 -0.14 0.00 0.00 0.00 0.00 51.96 49.60 2sh1 s ALA 2 Cb 0.00 -3.66 -0.05 0.00 0.00 0.00 0.00 23.12 19.40 2sh1 s ALA 2 CO 0.00 -2.52 1.02 0.00 0.00 0.00 0.00 175.76 174.26 2sh1 s LYS 4 N -4.49 3.61 -0.42 0.00 2.20 -1.26 -2.09 119.74 117.30 2sh1 s LYS 4 Ca 0.58 0.38 -0.29 0.00 -0.36 0.00 0.00 55.97 56.29 2sh1 s LYS 4 Cb -0.12 -3.96 0.03 0.00 -1.51 0.00 0.00 37.83 32.27 2sh1 s LYS 4 CO 0.41 -1.53 1.12 0.00 -0.36 0.00 0.00 175.35 174.99 2sh1 h ASP 6 N 8.82 0.91 -1.46 0.00 3.04 -1.60 -3.17 116.42 122.97 2sh1 h ASP 6 Ca -0.22 -0.21 -0.74 0.00 -3.24 0.00 0.00 57.03 52.62 2sh1 h ASP 6 Cb 1.06 -0.24 -0.14 0.00 -1.04 0.00 0.00 39.33 38.97 2sh1 h ASP 6 CO 1.09 0.89 1.93 0.47 -2.04 0.00 0.00 179.24 181.58 2sh1 n ASP 7 N -4.37 4.99 -4.13 4.15 8.00 0.11 -4.90 116.55 120.40 2sh1 n ASP 7 Ca 0.04 -3.01 -0.35 0.00 0.71 0.00 0.00 54.79 52.17 2sh1 n ASP 7 Cb 0.22 -1.56 -0.06 0.00 -0.02 0.00 0.00 41.12 39.70 2sh1 n ASP 7 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2sh1 n GLU 8 N 5.21 1.45 -1.12 -1.24 4.07 -1.20 -4.59 120.64 123.23 2sh1 n GLU 8 Ca 0.41 -2.12 -0.34 0.00 -0.06 0.00 0.00 57.16 55.04 2sh1 n GLU 8 Cb 0.40 -3.34 0.11 0.00 -0.06 0.00 0.00 31.44 28.55 2sh1 n GLU 8 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2sh1 n GLY 9 N 5.23 -0.77 0.00 8.31 0.00 -1.26 -4.90 105.19 111.79 2sh1 n GLY 9 Ca 0.47 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2sh1 n GLY 9 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2sh1 n PRO 10 N -2.23 0.00 -2.32 1.61 -0.02 -1.26 -4.11 135.00 126.67 2sh1 n PRO 10 Ca 0.11 0.46 -0.41 0.00 -2.02 0.00 0.00 63.50 61.64 2sh1 n PRO 10 Cb 0.51 -1.52 0.00 0.00 -0.02 0.00 0.00 33.50 32.47 2sh1 n PRO 10 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2sh1 n ASP 11 N -1.46 6.67 -4.54 2.55 9.92 -1.26 -4.88 116.55 123.56 2sh1 n ASP 11 Ca 0.00 -3.23 -0.42 0.00 -0.53 0.00 0.00 54.79 50.61 2sh1 n ASP 11 Cb 0.02 -1.37 -0.02 0.00 -0.64 0.00 0.00 41.12 39.10 2sh1 n ASP 11 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2sh1 s ILE 12 N -1.15 4.15 0.13 0.53 1.09 -1.26 -4.77 121.20 119.92 2sh1 s ILE 12 Ca 0.44 -1.12 -0.08 0.00 -1.10 0.00 0.00 60.65 58.79 2sh1 s ILE 12 Cb 0.13 -5.01 -0.14 0.00 -1.06 0.00 0.00 42.46 36.39 2sh1 s ILE 12 CO -0.03 -1.85 1.35 0.03 -0.10 0.00 0.00 174.94 174.34 2sh1 h ARG 13 N 9.27 0.62 0.00 2.79 2.47 -1.96 -3.46 114.38 124.11 2sh1 h ARG 13 Ca 0.22 -0.52 0.00 0.00 -1.26 0.00 0.00 59.98 58.42 2sh1 h ARG 13 Cb 0.99 0.11 0.00 0.00 -1.65 0.00 0.00 29.97 29.43 2sh1 h ARG 13 CO 1.36 1.14 0.00 0.25 0.56 0.00 0.00 179.97 183.28 2sh1 n THR 14 N -3.88 0.00 -3.84 2.04 -2.24 -1.26 -5.18 114.28 99.92 2sh1 n THR 14 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 2sh1 n THR 14 Cb 0.74 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 2sh1 n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2sh1 n ALA 15 N -1.13 0.00 0.04 6.98 0.00 -1.26 -5.01 120.51 120.13 2sh1 n ALA 15 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 2sh1 n ALA 15 Cb 0.00 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.07 2sh1 n ALA 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2sh1 h PRO 16 N 0.00 0.13 -6.01 0.00 0.11 -1.97 -3.37 132.00 120.89 2sh1 h PRO 16 Ca 0.00 -0.01 -0.48 0.00 0.11 0.00 0.00 66.00 65.63 2sh1 h PRO 16 Cb 0.00 -0.03 -0.07 0.00 0.11 0.00 0.00 31.00 31.01 2sh1 h PRO 16 CO 0.00 0.09 1.16 -0.51 -0.21 0.00 0.00 178.00 178.53 2sh1 s LEU 17 N -9.02 3.30 0.14 2.35 1.43 -1.26 -2.28 118.68 113.34 2sh1 s LEU 17 Ca -0.06 -0.76 0.00 0.00 -1.03 0.00 0.00 54.13 52.28 2sh1 s LEU 17 Cb 0.19 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.85 2sh1 s LEU 17 CO 0.72 -2.09 0.00 0.35 0.23 0.00 0.00 176.35 175.56 2sh1 n THR 18 N 7.17 0.21 -1.63 5.49 -2.24 -0.89 -4.73 114.28 117.66 2sh1 n THR 18 Ca 0.28 0.07 -0.54 0.00 -2.27 0.00 0.00 64.05 61.60 2sh1 n THR 18 Cb 0.50 -0.59 -0.06 0.00 -2.10 0.00 0.00 70.33 68.07 2sh1 n THR 18 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2sh1 n GLY 19 N 2.10 0.61 3.63 3.38 0.00 -1.18 -4.43 105.19 109.30 2sh1 n GLY 19 Ca 0.00 0.77 -0.43 0.00 0.00 0.00 0.00 46.02 46.36 2sh1 n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2sh1 s THR 20 N 1.45 4.57 -0.67 2.61 2.01 0.59 -0.02 115.64 126.18 2sh1 s THR 20 Ca 0.89 1.63 -0.26 0.00 0.31 0.00 0.00 61.69 64.25 2sh1 s THR 20 Cb -0.98 -4.36 -0.05 0.00 0.01 0.00 0.00 72.50 67.12 2sh1 s THR 20 CO 0.52 -0.43 2.04 -0.69 -0.69 0.00 0.00 174.62 175.38 2sh1 s VAL 21 N 3.50 3.27 -0.22 3.82 1.01 -0.55 -1.48 120.40 129.74 2sh1 s VAL 21 Ca 0.43 0.01 -0.11 0.00 0.00 0.00 0.00 61.98 62.31 2sh1 s VAL 21 Cb -0.13 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 2sh1 s VAL 21 CO 0.14 -0.66 0.16 -1.81 0.00 0.00 0.00 175.10 172.93 2sh1 s ASP 22 N 9.17 6.16 0.02 3.32 1.01 0.31 -4.66 116.67 131.99 2sh1 s ASP 22 Ca 0.76 0.17 -0.30 0.00 0.71 0.00 0.00 52.55 53.88 2sh1 s ASP 22 Cb -0.12 -2.10 -0.06 0.00 1.01 0.00 0.00 42.92 41.64 2sh1 s ASP 22 CO 0.16 0.10 1.49 -0.76 0.21 0.00 0.00 175.17 176.37 2sh1 s LEU 23 N 0.82 4.33 0.00 1.23 1.43 -1.26 -0.73 118.68 124.50 2sh1 s LEU 23 Ca 0.08 2.24 0.00 0.00 -1.03 0.00 0.00 54.13 55.42 2sh1 s LEU 23 Cb -0.13 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.53 2sh1 s LEU 23 CO 0.02 -0.78 0.00 0.61 0.23 0.00 0.00 176.35 176.43 2sh1 n GLY 24 N 3.78 1.45 3.62 -3.19 0.00 0.23 -4.77 105.19 106.30 2sh1 n GLY 24 Ca 0.14 0.34 -0.28 0.00 0.00 0.00 0.00 46.02 46.22 2sh1 n GLY 24 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2sh1 s SER 25 N -4.00 3.63 0.47 1.61 0.15 -1.26 -4.02 113.70 110.29 2sh1 s SER 25 Ca 0.00 -1.44 0.07 0.00 0.70 0.00 0.00 55.95 55.27 2sh1 s SER 25 Cb 0.00 -0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.19 2sh1 s SER 25 CO 0.00 -0.58 0.37 0.00 1.20 0.00 0.00 173.24 174.23 2sh1 s ASN 27 N -4.17 5.84 -0.07 0.00 2.47 -1.26 -4.99 114.94 112.75 2sh1 s ASN 27 Ca 0.42 -0.23 -0.33 0.00 0.42 0.00 0.00 52.86 53.14 2sh1 s ASN 27 Cb -0.02 -1.27 -0.10 0.00 -1.45 0.00 0.00 41.25 38.41 2sh1 s ASN 27 CO 0.25 -0.34 1.95 0.00 -3.72 0.00 0.00 177.10 175.24 2sh1 n ALA 28 N -1.52 1.16 -0.49 1.71 0.00 -1.26 -0.80 120.51 119.31 2sh1 n ALA 28 Ca -0.02 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2sh1 n ALA 28 Cb 0.58 -2.59 0.00 0.00 0.00 0.00 0.00 19.45 17.44 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 4.64 1.10 3.24 0.00 0.00 -1.26 -5.00 105.19 107.92 2sh1 n GLY 29 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.14 3.47 0.01 1.61 0.52 0.01 -0.84 118.94 120.58 2sh1 s TRP 30 Ca 0.00 -1.91 -0.05 0.00 0.02 0.00 0.00 56.10 54.16 2sh1 s TRP 30 Cb 0.00 -3.59 -0.04 0.00 -1.15 0.00 0.00 33.47 28.68 2sh1 s TRP 30 CO 0.00 -0.98 0.24 -1.21 0.02 0.00 0.00 176.95 175.02 2sh1 s GLU 31 N 0.92 3.53 -0.21 4.98 8.01 -0.17 -4.21 118.70 131.55 2sh1 s GLU 31 Ca 0.10 -0.16 -0.33 0.00 0.01 0.00 0.00 54.97 54.58 2sh1 s GLU 31 Cb -0.22 -3.08 -0.10 0.00 -4.31 0.00 0.00 34.13 26.42 2sh1 s GLU 31 CO -0.02 0.65 2.08 1.63 0.01 0.00 0.00 175.26 179.61 2sh1 n LYS 32 N 1.02 1.75 -0.12 1.61 5.02 -1.26 -0.65 118.16 125.53 2sh1 n LYS 32 Ca -0.11 0.55 -0.15 0.00 -2.02 0.00 0.00 58.31 56.59 2sh1 n LYS 32 Cb 0.53 -2.75 -0.13 0.00 -0.02 0.00 0.00 35.03 32.65 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 -2.50 1.51 0.04 0.00 0.00 -0.34 0.06 121.76 120.53 2sh1 s ALA 34 Ca -0.26 -1.69 -0.09 0.00 0.00 0.00 0.00 51.96 49.93 2sh1 s ALA 34 Cb 0.08 -1.62 -0.02 0.00 0.00 0.00 0.00 23.12 21.55 2sh1 s ALA 34 CO 0.67 -1.69 1.15 0.66 0.00 0.00 0.00 175.76 176.56 2sh1 h SER 35 N 8.03 -0.60 -3.57 0.00 4.64 -1.87 -1.26 113.55 118.92 2sh1 h SER 35 Ca -0.13 0.09 -0.67 0.00 -0.47 0.00 0.00 61.79 60.61 2sh1 h SER 35 Cb 1.01 0.26 -0.23 0.00 -0.31 0.00 0.00 62.40 63.13 2sh1 h SER 35 CO 0.47 -0.08 -0.73 -0.47 -0.87 0.00 0.00 176.83 175.15 2sh1 s TYR 36 N -3.72 2.86 0.00 4.77 5.04 -1.26 -3.69 117.35 121.34 2sh1 s TYR 36 Ca -0.04 -0.29 0.00 0.00 -2.44 0.00 0.00 57.07 54.30 2sh1 s TYR 36 Cb 0.03 -1.78 0.00 0.00 0.35 0.00 0.00 41.96 40.56 2sh1 s TYR 36 CO 0.18 0.06 0.00 0.98 -1.34 0.00 0.00 175.55 175.42 2sh1 n TYR 37 N 2.90 0.00 -1.66 4.97 9.36 0.38 -4.86 117.16 128.25 2sh1 n TYR 37 Ca -0.18 0.00 -0.51 0.00 3.32 0.00 0.00 57.90 60.54 2sh1 n TYR 37 Cb 0.53 0.00 -0.05 0.00 -0.63 0.00 0.00 39.34 39.18 2sh1 n TYR 37 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 2sh1 n THR 38 N 0.00 0.19 0.00 2.97 -2.24 -1.26 -3.92 114.28 110.02 2sh1 n THR 38 Ca 0.00 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 2sh1 n THR 38 Cb 0.00 -1.34 0.00 0.00 -2.10 0.00 0.00 70.33 66.89 2sh1 n THR 38 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 2sh1 n ILE 39 N 3.78 0.00 -2.54 2.28 -5.35 -1.26 -2.74 119.36 113.53 2sh1 n ILE 39 Ca 0.21 0.00 -0.28 0.00 -0.27 0.00 0.00 62.75 62.41 2sh1 n ILE 39 Cb 0.23 0.00 -0.01 0.00 -1.74 0.00 0.00 39.64 38.12 2sh1 n ILE 39 CO 0.00 0.00 0.00 2.30 -1.76 0.00 0.00 176.55 177.09 2sh1 n ILE 40 N 0.00 2.62 -4.08 7.28 -5.35 -1.26 -5.03 119.36 113.54 2sh1 n ILE 40 Ca 0.00 -5.04 -0.14 0.00 -0.27 0.00 0.00 62.75 57.30 2sh1 n ILE 40 Cb 0.00 -1.30 -0.13 0.00 -1.74 0.00 0.00 39.64 36.48 2sh1 n ILE 40 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2sh1 s ALA 41 N -3.57 0.46 -0.03 -1.28 0.00 -1.11 -0.60 121.76 115.63 2sh1 s ALA 41 Ca 0.48 -0.50 0.05 0.00 0.00 0.00 0.00 51.96 51.99 2sh1 s ALA 41 Cb 0.38 -0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.48 2sh1 s ALA 41 CO -0.19 0.02 -0.19 -0.51 0.00 0.00 0.00 175.76 174.89 2sh1 s ASP 42 N -0.92 2.26 -0.31 0.00 1.11 0.09 -0.47 116.67 118.43 2sh1 s ASP 42 Ca -0.05 -0.36 -0.11 0.00 0.18 0.00 0.00 52.55 52.21 2sh1 s ASP 42 Cb -0.06 -0.48 -0.02 0.00 1.07 0.00 0.00 42.92 43.43 2sh1 s ASP 42 CO 0.00 0.19 0.18 0.00 1.18 0.00 0.00 175.17 176.72 2sh1 s ARG 45 N -1.37 2.26 -0.84 0.00 3.52 0.18 -0.30 118.95 122.39 2sh1 s ARG 45 Ca 0.11 -0.88 -0.25 0.00 -0.13 0.00 0.00 55.73 54.58 2sh1 s ARG 45 Cb -0.10 -2.30 -0.05 0.00 -1.56 0.00 0.00 34.95 30.94 2sh1 s ARG 45 CO 0.03 0.56 1.95 0.21 -0.81 0.00 0.00 175.30 177.24 2sh1 s LYS 46 N -1.40 2.53 -0.28 5.12 2.47 -1.26 -1.00 119.74 125.91 2sh1 s LYS 46 Ca 0.15 -0.09 0.00 0.00 -1.56 0.00 0.00 55.97 54.48 2sh1 s LYS 46 Cb -0.11 -4.93 0.14 0.00 -1.46 0.00 0.00 37.83 31.48 2sh1 s LYS 46 CO 0.06 -3.30 0.33 -1.59 0.16 0.00 0.00 175.35 171.00 2sh1 s LYS 47 N 7.10 0.35 0.00 4.03 -2.85 -0.02 -4.73 119.74 123.62 2sh1 s LYS 47 Ca 0.71 -0.01 0.00 0.00 -1.00 0.00 0.00 55.97 55.67 2sh1 s LYS 47 Cb -0.08 -0.56 0.00 0.00 -2.06 0.00 0.00 37.83 35.13 2sh1 s LYS 47 CO 0.04 -0.99 0.00 0.36 0.10 0.00 0.00 175.35 174.85