#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sh1 s ALA 2 N 0.00 3.60 0.06 0.00 0.00 -1.26 -1.40 121.76 122.76 1sh1 s ALA 2 Ca 0.00 0.42 0.08 0.00 0.00 0.00 0.00 51.96 52.46 1sh1 s ALA 2 Cb 0.00 -3.56 -0.03 0.00 0.00 0.00 0.00 23.12 19.53 1sh1 s ALA 2 CO 0.00 -0.98 -0.20 0.00 0.00 0.00 0.00 175.76 174.58 1sh1 s LYS 4 N -1.58 4.35 -0.20 0.00 2.20 -1.26 -1.34 119.74 121.91 1sh1 s LYS 4 Ca 0.15 0.91 -0.09 0.00 -0.36 0.00 0.00 55.97 56.58 1sh1 s LYS 4 Cb -0.10 -3.23 -0.05 0.00 -1.51 0.00 0.00 37.83 32.94 1sh1 s LYS 4 CO 0.06 0.60 0.10 0.00 -0.36 0.00 0.00 175.35 175.75 1sh1 h ASP 6 N 6.82 0.14 -0.46 0.00 3.32 -1.36 -3.34 116.42 121.53 1sh1 h ASP 6 Ca -0.39 -0.81 -0.71 0.00 0.02 0.00 0.00 57.03 55.14 1sh1 h ASP 6 Cb 1.16 -0.04 -0.07 0.00 0.22 0.00 0.00 39.33 40.60 1sh1 h ASP 6 CO 0.72 0.93 2.73 0.47 -1.72 0.00 0.00 179.24 182.36 1sh1 n ASP 7 N -4.57 4.31 -3.97 6.45 9.92 -0.20 -4.87 116.55 123.62 1sh1 n ASP 7 Ca -0.10 -2.90 -0.42 0.00 -0.53 0.00 0.00 54.79 50.84 1sh1 n ASP 7 Cb 0.48 -1.64 -0.01 0.00 -0.64 0.00 0.00 41.12 39.30 1sh1 n ASP 7 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1sh1 n GLU 8 N 6.10 2.65 -0.93 -1.24 4.07 -1.26 -4.78 120.64 125.26 1sh1 n GLU 8 Ca 0.49 -2.64 -0.33 0.00 -0.06 0.00 0.00 57.16 54.62 1sh1 n GLU 8 Cb 0.40 -3.31 0.14 0.00 -0.06 0.00 0.00 31.44 28.61 1sh1 n GLU 8 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1sh1 n GLY 9 N 4.58 -0.41 0.10 8.31 0.00 -1.26 -4.91 105.19 111.60 1sh1 n GLY 9 Ca 0.50 -0.59 0.06 0.00 0.00 0.00 0.00 46.02 46.00 1sh1 n GLY 9 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1sh1 n PRO 10 N -3.36 0.08 -1.43 1.61 -0.02 -1.26 -3.99 135.00 126.63 1sh1 n PRO 10 Ca 0.12 0.56 -0.25 0.00 -2.02 0.00 0.00 63.50 61.91 1sh1 n PRO 10 Cb 0.51 -1.82 -0.07 0.00 -0.02 0.00 0.00 33.50 32.10 1sh1 n PRO 10 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1sh1 n ASP 11 N -1.92 6.34 -4.56 2.55 9.92 -1.26 -4.87 116.55 122.76 1sh1 n ASP 11 Ca -0.01 -3.07 -0.36 0.00 -0.53 0.00 0.00 54.79 50.82 1sh1 n ASP 11 Cb 0.08 -1.27 -0.04 0.00 -0.64 0.00 0.00 41.12 39.25 1sh1 n ASP 11 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1sh1 s ILE 12 N -1.61 3.75 0.23 0.53 1.09 -1.26 -4.74 121.20 119.19 1sh1 s ILE 12 Ca 0.60 -0.65 0.05 0.00 -1.10 0.00 0.00 60.65 59.55 1sh1 s ILE 12 Cb 0.36 -4.67 -0.05 0.00 -1.06 0.00 0.00 42.46 37.04 1sh1 s ILE 12 CO -0.18 -1.57 1.55 0.03 -0.10 0.00 0.00 174.94 174.67 1sh1 h ARG 13 N 10.29 0.22 0.00 2.79 2.47 -1.95 -3.46 114.38 124.73 1sh1 h ARG 13 Ca 0.17 -0.16 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 1sh1 h ARG 13 Cb 1.00 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.35 1sh1 h ARG 13 CO 1.35 0.78 0.00 0.25 0.56 0.00 0.00 179.97 182.90 1sh1 n THR 14 N -3.85 0.00 -3.54 2.04 -2.24 -1.26 -5.18 114.28 100.25 1sh1 n THR 14 Ca -0.02 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.74 1sh1 n THR 14 Cb 0.63 -0.25 -0.00 0.00 -2.10 0.00 0.00 70.33 68.61 1sh1 n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sh1 n ALA 15 N -1.63 -0.06 -0.01 6.98 0.00 -1.26 -5.01 120.51 119.53 1sh1 n ALA 15 Ca 0.00 -0.16 0.20 0.00 0.00 0.00 0.00 53.44 53.47 1sh1 n ALA 15 Cb 0.00 0.13 0.68 0.00 0.00 0.00 0.00 19.45 20.26 1sh1 n ALA 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1sh1 h PRO 16 N 0.00 0.02 -5.78 0.00 0.11 -1.96 -3.35 132.00 121.03 1sh1 h PRO 16 Ca -0.03 -0.00 -0.41 0.00 0.11 0.00 0.00 66.00 65.67 1sh1 h PRO 16 Cb 0.12 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 31.17 1sh1 h PRO 16 CO 0.04 0.02 1.11 -0.51 -0.21 0.00 0.00 178.00 178.44 1sh1 s LEU 17 N -8.79 3.29 0.00 2.35 1.43 -1.26 -2.32 118.68 113.37 1sh1 s LEU 17 Ca -0.05 -1.19 0.00 0.00 -1.03 0.00 0.00 54.13 51.86 1sh1 s LEU 17 Cb 0.20 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.85 1sh1 s LEU 17 CO 0.73 -2.36 0.00 0.35 0.23 0.00 0.00 176.35 175.30 1sh1 n THR 18 N 7.49 0.00 -1.77 5.49 -2.24 -1.10 -4.77 114.28 117.39 1sh1 n THR 18 Ca 0.40 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.83 1sh1 n THR 18 Cb 0.48 -0.33 0.05 0.00 -2.10 0.00 0.00 70.33 68.43 1sh1 n THR 18 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1sh1 s GLY 19 N -3.62 2.43 -0.03 3.38 0.00 -0.45 -4.83 107.32 104.20 1sh1 s GLY 19 Ca 0.00 0.82 0.04 0.00 0.00 0.00 0.00 44.72 45.58 1sh1 s GLY 19 CO 0.00 1.20 -0.15 -1.59 0.00 0.00 0.00 173.10 172.56 1sh1 s THR 20 N -1.96 2.99 -0.54 0.90 2.01 0.38 -0.08 115.64 119.34 1sh1 s THR 20 Ca 0.73 -0.81 -0.27 0.00 0.31 0.00 0.00 61.69 61.65 1sh1 s THR 20 Cb -0.26 -2.18 -0.01 0.00 0.01 0.00 0.00 72.50 70.06 1sh1 s THR 20 CO 0.39 0.55 1.72 -0.69 -0.69 0.00 0.00 174.62 175.90 1sh1 s VAL 21 N -0.76 3.50 -0.15 3.82 1.01 -0.49 -1.18 120.40 126.15 1sh1 s VAL 21 Ca 0.12 0.39 -0.07 0.00 0.00 0.00 0.00 61.98 62.42 1sh1 s VAL 21 Cb -0.11 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 1sh1 s VAL 21 CO 0.01 -0.88 0.11 -1.81 0.00 0.00 0.00 175.10 172.53 1sh1 s ASP 22 N 6.62 6.05 -0.00 3.32 1.11 0.55 -4.55 116.67 129.78 1sh1 s ASP 22 Ca 0.66 0.29 -0.30 0.00 0.18 0.00 0.00 52.55 53.38 1sh1 s ASP 22 Cb -0.14 -1.98 -0.03 0.00 1.07 0.00 0.00 42.92 41.83 1sh1 s ASP 22 CO 0.25 0.30 0.99 -0.76 1.18 0.00 0.00 175.17 177.13 1sh1 s LEU 23 N -0.37 4.37 0.00 1.23 1.43 -1.26 -1.02 118.68 123.06 1sh1 s LEU 23 Ca 0.11 1.67 0.00 0.00 -1.03 0.00 0.00 54.13 54.88 1sh1 s LEU 23 Cb -0.12 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.53 1sh1 s LEU 23 CO 0.01 -0.27 0.00 0.61 0.23 0.00 0.00 176.35 176.93 1sh1 n GLY 24 N 2.92 1.26 0.00 -3.19 0.00 0.31 -4.70 105.19 101.79 1sh1 n GLY 24 Ca 0.06 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1sh1 n GLY 24 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1sh1 n SER 25 N 2.77 1.79 -4.54 1.61 2.88 -1.26 -4.26 113.62 112.61 1sh1 n SER 25 Ca 0.00 -0.76 -0.27 0.00 -1.33 0.00 0.00 58.87 56.51 1sh1 n SER 25 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 1sh1 n SER 25 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sh1 s ASN 27 N -2.79 5.69 -0.02 0.00 2.47 -1.26 -4.96 114.94 114.07 1sh1 s ASN 27 Ca 0.24 0.03 -0.32 0.00 0.42 0.00 0.00 52.86 53.22 1sh1 s ASN 27 Cb -0.09 -1.19 -0.10 0.00 -1.45 0.00 0.00 41.25 38.42 1sh1 s ASN 27 CO 0.14 -0.77 1.93 0.00 -3.72 0.00 0.00 177.10 174.68 1sh1 n ALA 28 N -2.03 1.25 -0.74 1.71 0.00 -1.26 -0.89 120.51 118.55 1sh1 n ALA 28 Ca 0.04 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1sh1 n ALA 28 Cb 0.58 -2.59 0.00 0.00 0.00 0.00 0.00 19.45 17.44 1sh1 n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sh1 n GLY 29 N 4.47 0.74 3.16 0.00 0.00 -1.26 -5.02 105.19 107.28 1sh1 n GLY 29 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 1sh1 n GLY 29 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1sh1 s TRP 30 N -2.67 3.47 -0.03 1.61 0.52 -0.07 -2.22 118.94 119.55 1sh1 s TRP 30 Ca 0.00 -2.13 -0.04 0.00 0.02 0.00 0.00 56.10 53.96 1sh1 s TRP 30 Cb 0.00 -2.90 -0.04 0.00 -1.15 0.00 0.00 33.47 29.38 1sh1 s TRP 30 CO 0.00 -0.91 0.18 -2.00 0.02 0.00 0.00 176.95 174.24 1sh1 s GLU 31 N 1.22 3.44 -0.06 4.98 2.12 0.04 -4.26 118.70 126.18 1sh1 s GLU 31 Ca 0.04 -0.28 -0.30 0.00 0.36 0.00 0.00 54.97 54.79 1sh1 s GLU 31 Cb -0.22 -3.11 -0.08 0.00 0.26 0.00 0.00 34.13 30.97 1sh1 s GLU 31 CO -0.02 0.69 2.05 1.63 -0.54 0.00 0.00 175.26 179.07 1sh1 n LYS 32 N 1.13 2.51 -0.11 4.30 5.02 -1.26 -0.61 118.16 129.14 1sh1 n LYS 32 Ca -0.12 0.87 -0.20 0.00 -2.02 0.00 0.00 58.31 56.83 1sh1 n LYS 32 Cb 0.53 -3.03 -0.08 0.00 -0.02 0.00 0.00 35.03 32.42 1sh1 n LYS 32 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1sh1 s ALA 34 N -2.53 1.55 0.31 0.00 0.00 -0.82 -0.84 121.76 119.43 1sh1 s ALA 34 Ca -0.29 -1.77 0.07 0.00 0.00 0.00 0.00 51.96 49.97 1sh1 s ALA 34 Cb 0.08 -1.65 0.88 0.00 0.00 0.00 0.00 23.12 22.43 1sh1 s ALA 34 CO 0.48 -1.74 1.64 0.66 0.00 0.00 0.00 175.76 176.80 1sh1 h SER 35 N 7.88 0.14 -4.23 0.00 4.64 -1.87 -0.04 113.55 120.08 1sh1 h SER 35 Ca -0.11 0.21 -0.54 0.00 -0.47 0.00 0.00 61.79 60.88 1sh1 h SER 35 Cb 1.00 0.25 -0.30 0.00 -0.31 0.00 0.00 62.40 63.04 1sh1 h SER 35 CO 0.46 -0.19 -0.83 -0.47 -0.87 0.00 0.00 176.83 174.93 1sh1 s TYR 36 N -5.83 1.54 0.00 4.77 5.04 -1.26 -4.57 117.35 117.04 1sh1 s TYR 36 Ca -0.11 -0.32 0.00 0.00 -2.44 0.00 0.00 57.07 54.20 1sh1 s TYR 36 Cb 0.28 -1.00 0.00 0.00 0.35 0.00 0.00 41.96 41.59 1sh1 s TYR 36 CO 0.78 -0.05 0.00 0.98 -1.34 0.00 0.00 175.55 175.92 1sh1 n TYR 37 N 2.76 0.00 -4.35 4.97 9.36 -0.95 -4.79 117.16 124.16 1sh1 n TYR 37 Ca -0.15 0.00 -0.21 0.00 3.32 0.00 0.00 57.90 60.86 1sh1 n TYR 37 Cb 0.54 0.01 -0.11 0.00 -0.63 0.00 0.00 39.34 39.15 1sh1 n TYR 37 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 1sh1 s THR 38 N -0.39 1.84 0.00 2.97 -4.23 -0.62 -5.04 115.64 110.18 1sh1 s THR 38 Ca 0.00 -2.07 0.00 0.00 -1.18 0.00 0.00 61.69 58.44 1sh1 s THR 38 Cb 0.00 -1.96 0.00 0.00 1.34 0.00 0.00 72.50 71.88 1sh1 s THR 38 CO 0.00 -0.43 0.00 2.30 -0.54 0.00 0.00 174.62 175.95 1sh1 n ILE 39 N -0.05 0.00 -1.79 2.99 -5.35 -1.26 -0.47 119.36 113.44 1sh1 n ILE 39 Ca -0.10 0.00 -0.20 0.00 -0.27 0.00 0.00 62.75 62.17 1sh1 n ILE 39 Cb 0.59 0.00 0.07 0.00 -1.74 0.00 0.00 39.64 38.56 1sh1 n ILE 39 CO 0.00 0.00 0.00 2.30 -1.76 0.00 0.00 176.55 177.09 1sh1 n ILE 40 N -0.42 2.68 -3.75 7.28 -6.64 -1.26 -4.99 119.36 112.27 1sh1 n ILE 40 Ca 0.00 -3.71 -0.12 0.00 -1.77 0.00 0.00 62.75 57.15 1sh1 n ILE 40 Cb 0.00 -0.94 -0.12 0.00 -1.44 0.00 0.00 39.64 37.14 1sh1 n ILE 40 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1sh1 s ALA 41 N -3.55 -0.59 0.21 -1.28 0.00 0.38 -0.53 121.76 116.39 1sh1 s ALA 41 Ca 0.51 0.91 0.10 0.00 0.00 0.00 0.00 51.96 53.49 1sh1 s ALA 41 Cb 0.42 -0.56 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 1sh1 s ALA 41 CO 0.01 -0.17 -0.21 0.16 0.00 0.00 0.00 175.76 175.56 1sh1 s ASP 42 N 0.88 3.18 -0.33 0.00 1.47 -0.19 -1.58 116.67 120.10 1sh1 s ASP 42 Ca -0.06 -0.91 -0.12 0.00 1.18 0.00 0.00 52.55 52.63 1sh1 s ASP 42 Cb -0.07 -0.23 -0.02 0.00 -0.34 0.00 0.00 42.92 42.26 1sh1 s ASP 42 CO -0.06 0.04 0.23 0.00 0.68 0.00 0.00 175.17 176.06 1sh1 s ARG 45 N -0.71 3.51 -0.76 0.00 3.52 0.22 -0.47 118.95 124.26 1sh1 s ARG 45 Ca 0.09 -0.58 -0.26 0.00 -0.13 0.00 0.00 55.73 54.85 1sh1 s ARG 45 Cb -0.09 -3.32 -0.00 0.00 -1.56 0.00 0.00 34.95 29.98 1sh1 s ARG 45 CO -0.00 -0.25 1.65 0.21 -0.81 0.00 0.00 175.30 176.09 1sh1 s LYS 46 N 1.58 2.91 -0.09 5.12 2.20 -1.26 -0.78 119.74 129.43 1sh1 s LYS 46 Ca 0.06 -0.05 0.02 0.00 -0.36 0.00 0.00 55.97 55.64 1sh1 s LYS 46 Cb -0.16 -4.59 -0.02 0.00 -1.51 0.00 0.00 37.83 31.56 1sh1 s LYS 46 CO 0.03 -2.61 -0.13 -1.59 -0.36 0.00 0.00 175.35 170.69 1sh1 s LYS 47 N 6.37 2.91 0.00 4.03 0.00 -0.94 -5.02 119.74 127.08 1sh1 s LYS 47 Ca 0.55 -0.68 0.29 0.00 0.00 0.00 0.00 55.97 56.13 1sh1 s LYS 47 Cb -0.08 -2.50 1.19 0.00 0.00 0.00 0.00 37.83 36.43 1sh1 s LYS 47 CO 0.11 0.45 1.83 1.63 0.00 0.00 0.00 175.35 179.36