#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 0.06 0.00 0.00 -1.26 -0.76 121.76 123.46 2sh1 s ALA 2 Ca 0.00 -0.35 0.02 0.00 0.00 0.00 0.00 51.96 51.63 2sh1 s ALA 2 Cb 0.00 -2.36 -0.03 0.00 0.00 0.00 0.00 23.12 20.73 2sh1 s ALA 2 CO 0.00 0.32 -0.07 0.00 0.00 0.00 0.00 175.76 176.02 2sh1 s LYS 4 N -2.53 3.65 0.02 0.00 1.02 -1.26 -2.47 119.74 118.16 2sh1 s LYS 4 Ca -0.02 -0.01 0.07 0.00 0.02 0.00 0.00 55.97 56.03 2sh1 s LYS 4 Cb -0.03 -2.99 -0.03 0.00 -0.52 0.00 0.00 37.83 34.26 2sh1 s LYS 4 CO -0.02 0.57 -0.19 0.00 -0.92 0.00 0.00 175.35 174.79 2sh1 h ASP 6 N 4.82 0.53 0.00 0.00 3.32 -1.46 -1.99 116.42 121.63 2sh1 h ASP 6 Ca -0.47 -0.47 0.00 0.00 0.02 0.00 0.00 57.03 56.12 2sh1 h ASP 6 Cb 1.15 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.53 2sh1 h ASP 6 CO 0.48 1.29 0.00 0.47 -1.72 0.00 0.00 179.24 179.76 2sh1 n ASP 7 N -3.69 4.98 0.11 6.45 9.92 0.20 -3.01 116.55 131.50 2sh1 n ASP 7 Ca -0.08 -2.31 0.00 0.00 -0.53 0.00 0.00 54.79 51.87 2sh1 n ASP 7 Cb 0.90 -1.05 0.00 0.00 -0.64 0.00 0.00 41.12 40.32 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 1.53 0.00 -4.54 -1.24 2.13 -1.23 -5.00 120.64 112.30 2sh1 n GLU 8 Ca 0.00 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.58 2sh1 n GLU 8 Cb 0.47 0.00 -0.17 0.00 0.27 0.00 0.00 31.44 32.01 2sh1 n GLU 8 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2sh1 s GLY 9 N -1.73 0.75 0.46 8.31 0.00 -0.75 -5.03 107.32 109.33 2sh1 s GLY 9 Ca 0.00 -0.37 0.19 0.00 0.00 0.00 0.00 44.72 44.54 2sh1 s GLY 9 CO 0.00 0.15 1.93 -0.56 0.00 0.00 0.00 173.10 174.62 2sh1 h PRO 10 N 6.99 0.29 -4.47 2.90 0.13 -1.83 -3.19 132.00 132.82 2sh1 h PRO 10 Ca -0.32 -0.02 -0.72 0.00 -0.87 0.00 0.00 66.00 64.07 2sh1 h PRO 10 Cb 1.18 -0.07 -0.22 0.00 0.13 0.00 0.00 31.00 32.03 2sh1 h PRO 10 CO 0.47 0.19 -0.42 0.34 -0.23 0.00 0.00 178.00 178.35 2sh1 s ASP 11 N -5.97 6.04 0.21 1.44 -1.08 -1.26 -4.84 116.67 111.21 2sh1 s ASP 11 Ca -0.07 -1.03 -0.05 0.00 -0.52 0.00 0.00 52.55 50.88 2sh1 s ASP 11 Cb 0.21 -2.14 0.37 0.00 -1.46 0.00 0.00 42.92 39.90 2sh1 s ASP 11 CO 0.76 -0.48 1.18 2.30 0.52 0.00 0.00 175.17 179.45 2sh1 n ILE 12 N 5.13 -0.32 0.26 4.11 -5.35 -1.21 -1.40 119.36 120.58 2sh1 n ILE 12 Ca -0.11 1.73 0.10 0.00 -0.27 0.00 0.00 62.75 64.20 2sh1 n ILE 12 Cb 0.46 -2.41 0.68 0.00 -1.74 0.00 0.00 39.64 36.63 2sh1 n ILE 12 CO 0.00 0.00 0.00 0.03 -1.76 0.00 0.00 176.55 174.82 2sh1 h ARG 13 N 0.00 0.00 -1.32 6.28 3.08 -1.91 -1.52 114.38 118.99 2sh1 h ARG 13 Ca 0.37 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.78 2sh1 h ARG 13 Cb 0.59 0.00 -0.36 0.00 0.08 0.00 0.00 29.97 30.28 2sh1 h ARG 13 CO -0.78 0.09 0.04 0.25 -1.07 0.00 0.00 179.97 178.50 2sh1 n THR 14 N -4.12 2.99 -3.77 2.04 -2.24 -0.50 -4.92 114.28 103.77 2sh1 n THR 14 Ca -0.03 -4.16 -0.23 0.00 -2.27 0.00 0.00 64.05 57.37 2sh1 n THR 14 Cb 0.17 -1.21 -0.18 0.00 -2.10 0.00 0.00 70.33 67.02 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 -3.75 0.70 -1.07 6.98 0.00 -0.57 -4.73 121.76 119.31 2sh1 s ALA 15 Ca 0.53 -0.13 -0.20 0.00 0.00 0.00 0.00 51.96 52.16 2sh1 s ALA 15 Cb 0.44 -0.75 -0.07 0.00 0.00 0.00 0.00 23.12 22.73 2sh1 s ALA 15 CO -0.15 -0.48 1.97 -0.35 0.00 0.00 0.00 175.76 176.76 2sh1 n PRO 16 N 5.15 2.03 0.00 0.00 -0.04 -1.26 -4.47 135.00 136.41 2sh1 n PRO 16 Ca -0.07 -2.32 0.00 0.00 -0.04 0.00 0.00 63.50 61.07 2sh1 n PRO 16 Cb 0.50 -3.24 0.00 0.00 -0.04 0.00 0.00 33.50 30.72 2sh1 n PRO 16 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2sh1 n LEU 17 N 8.68 0.00 -0.11 1.53 0.00 -1.26 -4.89 117.00 120.95 2sh1 n LEU 17 Ca 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 56.01 56.49 2sh1 n LEU 17 Cb 0.42 0.00 -0.00 0.00 0.00 0.00 0.00 43.42 43.84 2sh1 n LEU 17 CO 0.90 0.00 -0.01 0.35 0.00 0.00 0.00 177.39 178.64 2sh1 n THR 18 N 0.00 0.00 -4.04 1.96 -2.24 -1.26 -2.90 114.28 105.81 2sh1 n THR 18 Ca 0.00 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.68 2sh1 n THR 18 Cb 0.00 -0.42 -0.11 0.00 -2.10 0.00 0.00 70.33 67.70 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 -0.86 0.40 -0.01 3.38 0.00 -1.03 -4.52 107.32 104.67 2sh1 s GLY 19 Ca 0.00 -0.79 0.08 0.00 0.00 0.00 0.00 44.72 44.01 2sh1 s GLY 19 CO 0.00 -0.87 -0.26 -1.59 0.00 0.00 0.00 173.10 170.39 2sh1 s THR 20 N -1.97 2.10 -0.55 0.90 2.01 0.58 -0.71 115.64 118.00 2sh1 s THR 20 Ca -0.09 -1.13 -0.28 0.00 0.31 0.00 0.00 61.69 60.51 2sh1 s THR 20 Cb -0.06 -1.74 0.00 0.00 0.01 0.00 0.00 72.50 70.71 2sh1 s THR 20 CO -0.02 0.56 1.57 -0.69 -0.69 0.00 0.00 174.62 175.34 2sh1 s VAL 21 N -0.64 3.64 -0.21 3.82 1.01 0.06 -0.75 120.40 127.33 2sh1 s VAL 21 Ca 0.10 0.52 -0.14 0.00 0.00 0.00 0.00 61.98 62.46 2sh1 s VAL 21 Cb -0.10 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 2sh1 s VAL 21 CO -0.01 -1.03 0.32 -0.62 0.00 0.00 0.00 175.10 173.77 2sh1 s ASP 22 N 5.52 6.36 -0.05 3.32 -1.08 0.21 -4.63 116.67 126.31 2sh1 s ASP 22 Ca 0.59 0.41 -0.32 0.00 -0.52 0.00 0.00 52.55 52.71 2sh1 s ASP 22 Cb -0.13 -2.19 -0.10 0.00 -1.46 0.00 0.00 42.92 39.04 2sh1 s ASP 22 CO 0.25 -0.02 1.95 -0.11 0.52 0.00 0.00 175.17 177.77 2sh1 n LEU 23 N 4.29 3.75 0.00 -1.34 0.00 -1.26 -2.15 117.00 120.29 2sh1 n LEU 23 Ca -0.11 0.88 0.00 0.00 0.00 0.00 0.00 56.01 56.79 2sh1 n LEU 23 Cb 0.51 -1.45 0.00 0.00 0.00 0.00 0.00 43.42 42.48 2sh1 n LEU 23 CO 0.39 0.02 0.00 0.61 0.00 0.00 0.00 177.39 178.40 2sh1 n GLY 24 N 4.61 2.12 0.01 -3.96 0.00 -0.07 -4.74 105.19 103.15 2sh1 n GLY 24 Ca 0.22 0.12 -0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 4.53 -0.00 -4.71 1.61 2.88 -1.24 -3.00 113.62 113.69 2sh1 n SER 25 Ca 0.00 -1.00 -0.42 0.00 -1.33 0.00 0.00 58.87 56.12 2sh1 n SER 25 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 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 1.24 3.36 -0.02 0.00 2.47 -1.26 -4.92 114.94 115.81 2sh1 s ASN 27 Ca 0.68 0.98 -0.34 0.00 0.42 0.00 0.00 52.86 54.60 2sh1 s ASN 27 Cb -0.41 -1.56 -0.12 0.00 -1.45 0.00 0.00 41.25 37.71 2sh1 s ASN 27 CO 0.31 -2.64 1.81 0.00 -3.72 0.00 0.00 177.10 172.86 2sh1 n ALA 28 N -3.83 1.06 -2.02 1.71 0.00 -1.26 -1.66 120.51 114.51 2sh1 n ALA 28 Ca 0.06 0.32 -0.03 0.00 0.00 0.00 0.00 53.44 53.80 2sh1 n ALA 28 Cb 0.59 -2.48 -0.00 0.00 0.00 0.00 0.00 19.45 17.56 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 4.18 0.28 3.30 0.00 0.00 -1.26 -5.03 105.19 106.65 2sh1 n GLY 29 Ca 0.21 -0.79 -0.26 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.13 1.95 -0.07 1.61 0.52 -0.67 -2.14 118.94 118.02 2sh1 s TRP 30 Ca 0.00 -0.40 0.02 0.00 0.02 0.00 0.00 56.10 55.75 2sh1 s TRP 30 Cb 0.00 -1.10 -0.02 0.00 -1.15 0.00 0.00 33.47 31.19 2sh1 s TRP 30 CO 0.00 0.19 -0.13 -2.00 0.02 0.00 0.00 176.95 175.03 2sh1 s GLU 31 N -1.64 2.70 -0.42 4.98 2.12 0.42 -4.77 118.70 122.09 2sh1 s GLU 31 Ca 0.09 -0.67 -0.28 0.00 0.36 0.00 0.00 54.97 54.47 2sh1 s GLU 31 Cb -0.10 -2.46 -0.01 0.00 0.26 0.00 0.00 34.13 31.82 2sh1 s GLU 31 CO 0.04 0.56 1.76 0.15 -0.54 0.00 0.00 175.26 177.22 2sh1 s LYS 32 N -0.56 3.17 -0.08 4.30 1.02 -1.26 -0.65 119.74 125.69 2sh1 s LYS 32 Ca 0.08 1.13 -0.12 0.00 0.02 0.00 0.00 55.97 57.08 2sh1 s LYS 32 Cb -0.12 -4.22 -0.29 0.00 -0.52 0.00 0.00 37.83 32.68 2sh1 s LYS 32 CO 0.01 -2.06 0.57 0.00 -0.92 0.00 0.00 175.35 172.96 2sh1 s ALA 34 N -2.55 -1.21 0.47 0.00 0.00 0.95 -0.63 121.76 118.79 2sh1 s ALA 34 Ca -0.19 0.02 0.41 0.00 0.00 0.00 0.00 51.96 52.21 2sh1 s ALA 34 Cb 0.05 -2.15 1.50 0.00 0.00 0.00 0.00 23.12 22.52 2sh1 s ALA 34 CO 0.81 -1.87 1.41 0.43 0.00 0.00 0.00 175.76 176.54 2sh1 n SER 35 N 5.07 0.06 -4.07 0.00 7.64 -1.26 -1.46 113.62 119.60 2sh1 n SER 35 Ca 0.04 1.00 -0.19 0.00 1.01 0.00 0.00 58.87 60.73 2sh1 n SER 35 Cb 0.49 -0.50 -0.14 0.00 -1.01 0.00 0.00 64.21 63.06 2sh1 n SER 35 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 2sh1 s TYR 36 N -4.79 0.94 0.19 1.43 5.04 -1.26 -4.71 117.35 114.18 2sh1 s TYR 36 Ca -0.05 -0.25 0.00 0.00 -2.44 0.00 0.00 57.07 54.33 2sh1 s TYR 36 Cb 0.25 -0.58 0.00 0.00 0.35 0.00 0.00 41.96 41.98 2sh1 s TYR 36 CO 0.79 -0.01 0.00 0.98 -1.34 0.00 0.00 175.55 175.97 2sh1 n TYR 37 N 2.42 -1.20 -4.29 4.97 9.36 -1.05 -4.38 117.16 123.00 2sh1 n TYR 37 Ca -0.16 0.21 -0.16 0.00 3.32 0.00 0.00 57.90 61.11 2sh1 n TYR 37 Cb 0.56 0.27 -0.10 0.00 -0.63 0.00 0.00 39.34 39.44 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 -2.00 1.41 0.58 2.97 -4.23 0.22 -5.03 115.64 109.57 2sh1 s THR 38 Ca 0.00 -2.11 0.35 0.00 -1.18 0.00 0.00 61.69 58.76 2sh1 s THR 38 Cb 0.00 -1.91 0.52 0.00 1.34 0.00 0.00 72.50 72.44 2sh1 s THR 38 CO 0.00 -0.67 1.55 0.16 -0.54 0.00 0.00 174.62 175.12 2sh1 h ILE 39 N 2.72 0.12 -0.06 2.99 3.07 -1.99 -1.89 117.51 122.47 2sh1 h ILE 39 Ca -0.37 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.04 2sh1 h ILE 39 Cb 1.20 0.16 0.00 0.00 -0.27 0.00 0.00 36.82 37.91 2sh1 h ILE 39 CO 0.62 0.00 0.00 2.30 -1.05 0.00 0.00 178.15 180.02 2sh1 n ILE 40 N -3.65 0.10 -3.64 0.16 -5.35 -1.26 -4.95 119.36 100.77 2sh1 n ILE 40 Ca 0.27 -0.55 -0.08 0.00 -0.27 0.00 0.00 62.75 62.13 2sh1 n ILE 40 Cb 1.50 1.23 -0.07 0.00 -1.74 0.00 0.00 39.64 40.56 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 -1.23 -2.02 0.22 -1.28 0.00 -0.71 -0.89 121.76 115.85 2sh1 s ALA 41 Ca 0.19 2.03 0.09 0.00 0.00 0.00 0.00 51.96 54.27 2sh1 s ALA 41 Cb 0.13 -1.48 -0.04 0.00 0.00 0.00 0.00 23.12 21.73 2sh1 s ALA 41 CO 0.19 -0.29 -0.02 0.16 0.00 0.00 0.00 175.76 175.80 2sh1 s ASP 42 N 0.66 4.56 -0.47 0.00 -4.77 -0.91 -0.61 116.67 115.13 2sh1 s ASP 42 Ca -0.02 -0.55 -0.24 0.00 -3.30 0.00 0.00 52.55 48.45 2sh1 s ASP 42 Cb -0.05 -0.88 0.03 0.00 -1.09 0.00 0.00 42.92 40.94 2sh1 s ASP 42 CO -0.09 0.05 0.85 0.00 0.70 0.00 0.00 175.17 176.67 2sh1 s ARG 45 N -1.55 2.12 0.07 0.00 1.70 0.18 -0.31 118.95 121.16 2sh1 s ARG 45 Ca 0.01 -0.96 -0.31 0.00 -0.47 0.00 0.00 55.73 54.01 2sh1 s ARG 45 Cb -0.09 -2.23 -0.06 0.00 -0.57 0.00 0.00 34.95 32.00 2sh1 s ARG 45 CO 0.02 0.54 1.24 0.21 -1.08 0.00 0.00 175.30 176.24 2sh1 s LYS 46 N -1.48 4.41 -0.77 3.89 2.20 -1.26 -0.44 119.74 126.29 2sh1 s LYS 46 Ca 0.15 1.83 -0.26 0.00 -0.36 0.00 0.00 55.97 57.34 2sh1 s LYS 46 Cb -0.11 -3.33 -0.01 0.00 -1.51 0.00 0.00 37.83 32.88 2sh1 s LYS 46 CO 0.06 -0.30 1.73 0.15 -0.36 0.00 0.00 175.35 176.63 2sh1 s LYS 47 N 1.08 2.83 0.00 4.03 1.02 -0.91 -4.88 119.74 122.91 2sh1 s LYS 47 Ca 0.60 -0.01 0.27 0.00 0.02 0.00 0.00 55.97 56.85 2sh1 s LYS 47 Cb -0.31 -4.66 0.89 0.00 -0.52 0.00 0.00 37.83 33.23 2sh1 s LYS 47 CO 0.29 -2.74 1.65 1.63 -0.92 0.00 0.00 175.35 175.27