#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 3.70 0.05 0.00 0.00 -1.26 -1.05 121.76 123.20 2sh1 s ALA 2 Ca 0.00 1.29 0.04 0.00 0.00 0.00 0.00 51.96 53.29 2sh1 s ALA 2 Cb 0.00 -3.58 -0.03 0.00 0.00 0.00 0.00 23.12 19.51 2sh1 s ALA 2 CO 0.00 -0.72 -0.12 0.00 0.00 0.00 0.00 175.76 174.92 2sh1 s LYS 4 N -1.51 4.39 0.04 0.00 -2.85 -1.26 -2.00 119.74 116.54 2sh1 s LYS 4 Ca -0.04 1.91 0.03 0.00 -1.00 0.00 0.00 55.97 56.87 2sh1 s LYS 4 Cb -0.09 -3.30 -0.02 0.00 -2.06 0.00 0.00 37.83 32.36 2sh1 s LYS 4 CO 0.01 -0.32 -0.10 0.00 0.10 0.00 0.00 175.35 175.04 2sh1 n ASP 6 N 1.77 3.56 -3.64 0.00 5.75 -0.05 -4.19 116.55 119.76 2sh1 n ASP 6 Ca -0.20 0.00 -0.31 0.00 -0.01 0.00 0.00 54.79 54.27 2sh1 n ASP 6 Cb 0.55 0.72 -0.07 0.00 -1.03 0.00 0.00 41.12 41.30 2sh1 n ASP 6 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2sh1 n ASP 7 N -2.15 4.26 -3.96 -1.12 8.00 0.05 -2.90 116.55 118.73 2sh1 n ASP 7 Ca -0.08 -3.39 -0.41 0.00 0.71 0.00 0.00 54.79 51.61 2sh1 n ASP 7 Cb 0.62 -0.83 -0.03 0.00 -0.02 0.00 0.00 41.12 40.87 2sh1 n ASP 7 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2sh1 n GLU 8 N 1.16 2.31 0.00 -1.24 4.71 -0.31 -3.92 120.64 123.36 2sh1 n GLU 8 Ca 0.28 -2.46 0.00 0.00 -0.01 0.00 0.00 57.16 54.96 2sh1 n GLU 8 Cb 0.39 -3.27 0.00 0.00 -1.01 0.00 0.00 31.44 27.55 2sh1 n GLU 8 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2sh1 n GLY 9 N 4.70 1.93 0.26 0.62 0.00 -0.86 -0.78 105.19 111.05 2sh1 n GLY 9 Ca 0.50 0.46 -0.15 0.00 0.00 0.00 0.00 46.02 46.83 2sh1 n GLY 9 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2sh1 h PRO 10 N 0.00 -0.58 -3.00 1.61 0.11 -1.80 -3.36 132.00 124.98 2sh1 h PRO 10 Ca 0.00 0.04 -0.79 0.00 0.11 0.00 0.00 66.00 65.36 2sh1 h PRO 10 Cb 0.00 0.13 -0.24 0.00 0.11 0.00 0.00 31.00 31.00 2sh1 h PRO 10 CO 0.00 -0.32 1.24 -0.25 -0.21 0.00 0.00 178.00 178.46 2sh1 n ASP 11 N -5.29 6.22 0.00 -2.05 8.00 0.04 -4.91 116.55 118.55 2sh1 n ASP 11 Ca -0.11 -3.34 0.00 0.00 0.71 0.00 0.00 54.79 52.05 2sh1 n ASP 11 Cb 0.28 -1.32 0.00 0.00 -0.02 0.00 0.00 41.12 40.06 2sh1 n ASP 11 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 2sh1 n ILE 12 N 1.77 0.00 -3.09 0.53 -5.35 -1.05 -3.56 119.36 108.62 2sh1 n ILE 12 Ca 0.33 0.87 -0.45 0.00 -0.27 0.00 0.00 62.75 63.23 2sh1 n ILE 12 Cb 0.33 -1.33 -0.01 0.00 -1.74 0.00 0.00 39.64 36.89 2sh1 n ILE 12 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 2sh1 s ARG 13 N -0.88 3.83 0.00 6.28 1.81 -1.14 -1.16 118.95 127.69 2sh1 s ARG 13 Ca 0.00 -2.37 0.00 0.00 -1.72 0.00 0.00 55.73 51.64 2sh1 s ARG 13 Cb 0.00 -4.79 0.00 0.00 -0.45 0.00 0.00 34.95 29.71 2sh1 s ARG 13 CO 0.00 -1.58 0.00 0.25 -0.68 0.00 0.00 175.30 173.29 2sh1 n THR 14 N 4.48 0.00 -3.47 0.02 -2.24 -1.23 -5.09 114.28 106.75 2sh1 n THR 14 Ca 0.25 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.60 2sh1 n THR 14 Cb 0.45 -0.41 -0.09 0.00 -2.10 0.00 0.00 70.33 68.18 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 -2.00 3.45 0.00 6.98 0.00 -1.26 -5.03 121.76 123.90 2sh1 s ALA 15 Ca 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 51.96 49.93 2sh1 s ALA 15 Cb 0.00 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 20.23 2sh1 s ALA 15 CO 0.00 -1.64 0.71 -0.35 0.00 0.00 0.00 175.76 174.48 2sh1 n PRO 16 N 5.11 0.00 -2.36 0.00 -0.04 -1.26 -4.39 135.00 132.05 2sh1 n PRO 16 Ca -0.12 0.28 -0.37 0.00 -0.04 0.00 0.00 63.50 63.25 2sh1 n PRO 16 Cb 0.44 -1.24 -0.03 0.00 -0.04 0.00 0.00 33.50 32.63 2sh1 n PRO 16 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2sh1 s LEU 17 N -2.70 3.31 0.25 1.53 2.96 -1.26 -0.57 118.68 122.19 2sh1 s LEU 17 Ca 0.00 -0.77 0.00 0.00 -0.22 0.00 0.00 54.13 53.14 2sh1 s LEU 17 Cb 0.00 -2.56 0.00 0.00 0.50 0.00 0.00 46.19 44.13 2sh1 s LEU 17 CO 0.00 -2.00 0.00 0.35 -1.32 0.00 0.00 176.35 173.38 2sh1 n THR 18 N 7.04 0.23 -1.34 3.68 -2.24 -0.85 -4.95 114.28 115.85 2sh1 n THR 18 Ca 0.25 0.08 -0.38 0.00 -2.27 0.00 0.00 64.05 61.73 2sh1 n THR 18 Cb 0.50 -0.69 0.03 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 1.90 -2.35 3.62 3.38 0.00 -1.13 -4.71 105.19 105.90 2sh1 n GLY 19 Ca 0.00 -0.21 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.86 3.96 -0.35 2.61 2.01 0.02 -0.23 115.64 121.79 2sh1 s THR 20 Ca 0.62 -0.38 -0.28 0.00 0.31 0.00 0.00 61.69 61.96 2sh1 s THR 20 Cb -0.45 -2.64 -0.02 0.00 0.01 0.00 0.00 72.50 69.39 2sh1 s THR 20 CO 0.61 0.60 1.87 -0.69 -0.69 0.00 0.00 174.62 176.32 2sh1 s VAL 21 N -0.82 3.40 0.32 3.82 1.01 -0.21 -2.21 120.40 125.71 2sh1 s VAL 21 Ca 0.12 0.39 0.08 0.00 0.00 0.00 0.00 61.98 62.57 2sh1 s VAL 21 Cb -0.11 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 2sh1 s VAL 21 CO 0.02 -0.40 0.12 -1.81 0.00 0.00 0.00 175.10 173.02 2sh1 s ASP 22 N 6.76 4.69 -0.33 3.32 1.01 0.96 -4.52 116.67 128.55 2sh1 s ASP 22 Ca 0.81 -0.73 -0.14 0.00 0.71 0.00 0.00 52.55 53.21 2sh1 s ASP 22 Cb -0.22 -0.78 -0.02 0.00 1.01 0.00 0.00 42.92 42.91 2sh1 s ASP 22 CO 0.32 -0.23 0.29 -0.76 0.21 0.00 0.00 175.17 175.00 2sh1 s LEU 23 N -3.81 4.37 0.00 1.23 2.01 -1.26 -0.87 118.68 120.35 2sh1 s LEU 23 Ca 0.36 -0.22 0.00 0.00 0.01 0.00 0.00 54.13 54.28 2sh1 s LEU 23 Cb -0.03 -2.24 0.00 0.00 0.01 0.00 0.00 46.19 43.93 2sh1 s LEU 23 CO 0.22 -0.24 0.00 0.61 1.01 0.00 0.00 176.35 177.95 2sh1 n GLY 24 N 5.00 0.58 3.25 -3.19 0.00 -0.05 -4.69 105.19 106.09 2sh1 n GLY 24 Ca -0.11 0.70 -0.24 0.00 0.00 0.00 0.00 46.02 46.36 2sh1 n GLY 24 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2sh1 s SER 25 N -4.00 2.39 -0.01 1.61 1.04 -1.26 -4.46 113.70 109.01 2sh1 s SER 25 Ca 0.00 -0.55 -0.03 0.00 0.48 0.00 0.00 55.95 55.85 2sh1 s SER 25 Cb 0.00 -0.18 -0.04 0.00 0.10 0.00 0.00 66.02 65.90 2sh1 s SER 25 CO 0.00 0.12 0.18 0.00 0.98 0.00 0.00 173.24 174.52 2sh1 s ASN 27 N -1.93 6.51 -0.13 0.00 2.47 -1.26 -4.93 114.94 115.67 2sh1 s ASN 27 Ca 0.27 2.15 -0.39 0.00 0.42 0.00 0.00 52.86 55.31 2sh1 s ASN 27 Cb -0.13 -2.59 -0.16 0.00 -1.45 0.00 0.00 41.25 36.92 2sh1 s ASN 27 CO 0.19 -0.67 1.55 0.00 -3.72 0.00 0.00 177.10 174.44 2sh1 n ALA 28 N -0.25 -0.70 0.00 1.71 0.00 -1.26 -1.01 120.51 119.01 2sh1 n ALA 28 Ca 0.06 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.95 2sh1 n ALA 28 Cb 0.49 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.81 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 3.40 3.34 3.50 0.00 0.00 -1.26 -5.03 105.19 109.14 2sh1 n GLY 29 Ca 0.23 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.02 2.56 -0.27 1.61 0.52 -0.18 -0.27 118.94 122.89 2sh1 s TRP 30 Ca 0.00 -0.48 -0.29 0.00 0.02 0.00 0.00 56.10 55.35 2sh1 s TRP 30 Cb 0.00 -4.45 0.00 0.00 -1.15 0.00 0.00 33.47 27.87 2sh1 s TRP 30 CO 0.00 -1.82 1.24 -1.21 0.02 0.00 0.00 176.95 175.19 2sh1 s GLU 31 N 4.62 4.03 -0.66 4.98 0.41 0.57 -4.61 118.70 128.04 2sh1 s GLU 31 Ca 0.30 1.33 -0.26 0.00 -0.41 0.00 0.00 54.97 55.93 2sh1 s GLU 31 Cb -0.11 -3.82 -0.12 0.00 -1.78 0.00 0.00 34.13 28.30 2sh1 s GLU 31 CO 0.08 -0.96 2.43 1.63 -0.49 0.00 0.00 175.26 177.95 2sh1 n LYS 32 N 7.03 0.73 -0.04 1.61 5.02 -1.26 -1.13 118.16 130.12 2sh1 n LYS 32 Ca 0.14 -0.28 -0.06 0.00 -2.02 0.00 0.00 58.31 56.09 2sh1 n LYS 32 Cb 0.46 -3.22 -0.14 0.00 -0.02 0.00 0.00 35.03 32.12 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 -2.70 1.59 0.32 0.00 0.00 -0.13 -0.77 121.76 120.07 2sh1 s ALA 34 Ca -0.06 -2.23 0.09 0.00 0.00 0.00 0.00 51.96 49.76 2sh1 s ALA 34 Cb 0.08 -1.75 0.87 0.00 0.00 0.00 0.00 23.12 22.31 2sh1 s ALA 34 CO 0.83 -2.06 1.74 0.66 0.00 0.00 0.00 175.76 176.93 2sh1 h SER 35 N 6.93 0.69 -4.16 0.00 4.64 -1.77 0.15 113.55 120.03 2sh1 h SER 35 Ca 0.01 0.12 -0.45 0.00 -0.47 0.00 0.00 61.79 61.00 2sh1 h SER 35 Cb 0.95 0.01 -0.29 0.00 -0.31 0.00 0.00 62.40 62.77 2sh1 h SER 35 CO 0.39 0.15 -0.80 -0.47 -0.87 0.00 0.00 176.83 175.22 2sh1 s TYR 36 N -5.78 1.11 0.03 4.77 5.04 -1.26 -4.61 117.35 116.65 2sh1 s TYR 36 Ca -0.11 -0.22 0.00 0.00 -2.44 0.00 0.00 57.07 54.30 2sh1 s TYR 36 Cb 0.27 -0.71 0.00 0.00 0.35 0.00 0.00 41.96 41.87 2sh1 s TYR 36 CO 0.80 -0.01 0.00 0.98 -1.34 0.00 0.00 175.55 175.97 2sh1 n TYR 37 N 2.69 -0.06 -4.27 4.97 9.36 -0.26 -4.83 117.16 124.76 2sh1 n TYR 37 Ca -0.14 0.01 -0.15 0.00 3.32 0.00 0.00 57.90 60.94 2sh1 n TYR 37 Cb 0.56 0.04 -0.10 0.00 -0.63 0.00 0.00 39.34 39.21 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 -1.27 0.52 0.00 2.97 -4.23 -0.72 -5.03 115.64 107.88 2sh1 s THR 38 Ca 0.00 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 2sh1 s THR 38 Cb 0.00 -2.43 0.00 0.00 1.34 0.00 0.00 72.50 71.41 2sh1 s THR 38 CO 0.00 -0.17 0.00 0.00 -0.54 0.00 0.00 174.62 173.91 2sh1 n ILE 39 N -0.36 0.00 -2.09 2.99 3.06 -1.26 -0.22 119.36 121.48 2sh1 n ILE 39 Ca -0.02 0.00 -0.13 0.00 -2.50 0.00 0.00 62.75 60.10 2sh1 n ILE 39 Cb 0.65 0.00 0.06 0.00 0.54 0.00 0.00 39.64 40.89 2sh1 n ILE 39 CO 0.00 0.00 0.00 2.30 -2.50 0.00 0.00 176.55 176.35 2sh1 n ILE 40 N 0.00 2.14 -4.74 9.51 -6.64 -1.26 -5.06 119.36 113.31 2sh1 n ILE 40 Ca 0.00 -3.66 -0.24 0.00 -1.77 0.00 0.00 62.75 57.08 2sh1 n ILE 40 Cb 0.00 -0.47 -0.15 0.00 -1.44 0.00 0.00 39.64 37.58 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 -3.38 1.33 0.21 -1.28 0.00 0.69 -0.87 121.76 118.46 2sh1 s ALA 41 Ca 0.44 -0.66 0.04 0.00 0.00 0.00 0.00 51.96 51.78 2sh1 s ALA 41 Cb 0.39 -0.37 -0.05 0.00 0.00 0.00 0.00 23.12 23.09 2sh1 s ALA 41 CO -0.00 0.30 -0.05 0.16 0.00 0.00 0.00 175.76 176.17 2sh1 s ASP 42 N -0.26 1.95 -0.14 0.00 -4.77 -0.05 -1.10 116.67 112.29 2sh1 s ASP 42 Ca 0.04 -1.14 0.01 0.00 -3.30 0.00 0.00 52.55 48.15 2sh1 s ASP 42 Cb -0.07 -0.02 0.02 0.00 -1.09 0.00 0.00 42.92 41.76 2sh1 s ASP 42 CO -0.00 -0.42 -0.16 0.00 0.70 0.00 0.00 175.17 175.29 2sh1 s ARG 45 N -1.51 2.72 -0.40 0.00 6.06 -0.29 -0.80 118.95 124.74 2sh1 s ARG 45 Ca 0.05 -0.84 -0.28 0.00 -2.50 0.00 0.00 55.73 52.16 2sh1 s ARG 45 Cb -0.09 -2.28 -0.01 0.00 0.06 0.00 0.00 34.95 32.63 2sh1 s ARG 45 CO 0.03 0.37 1.64 0.21 -2.50 0.00 0.00 175.30 175.04 2sh1 s LYS 46 N -0.11 3.37 0.00 5.12 2.47 -1.26 -0.31 119.74 129.01 2sh1 s LYS 46 Ca -0.04 1.13 0.00 0.00 -1.56 0.00 0.00 55.97 55.49 2sh1 s LYS 46 Cb -0.14 -4.14 0.00 0.00 -1.46 0.00 0.00 37.83 32.08 2sh1 s LYS 46 CO 0.04 -1.82 0.00 1.63 0.16 0.00 0.00 175.35 175.36 2sh1 n LYS 47 N 8.37 0.00 0.00 4.03 5.02 0.63 -4.94 118.16 131.28 2sh1 n LYS 47 Ca 0.20 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.49 2sh1 n LYS 47 Cb 0.48 -0.13 0.00 0.00 -0.02 0.00 0.00 35.03 35.35 2sh1 n LYS 47 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51