#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 3.28 0.19 0.00 0.00 -1.26 -1.69 121.76 122.28 2sh1 s ALA 2 Ca 0.00 -1.17 0.08 0.00 0.00 0.00 0.00 51.96 50.87 2sh1 s ALA 2 Cb 0.00 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 2sh1 s ALA 2 CO 0.00 -2.02 -0.06 0.00 0.00 0.00 0.00 175.76 173.68 2sh1 s LYS 4 N -2.94 3.88 -0.58 0.00 -2.85 -1.25 -1.04 119.74 114.95 2sh1 s LYS 4 Ca 0.26 2.53 -0.02 0.00 -1.00 0.00 0.00 55.97 57.74 2sh1 s LYS 4 Cb -0.09 -2.80 0.15 0.00 -2.06 0.00 0.00 37.83 33.03 2sh1 s LYS 4 CO 0.17 -0.70 0.39 0.00 0.10 0.00 0.00 175.35 175.30 2sh1 h ASP 6 N 7.13 0.00 -3.45 0.00 5.19 -1.69 -3.36 116.42 120.25 2sh1 h ASP 6 Ca -0.04 0.00 -0.62 0.00 -0.62 0.00 0.00 57.03 55.75 2sh1 h ASP 6 Cb 0.96 0.00 -0.41 0.00 0.18 0.00 0.00 39.33 40.06 2sh1 h ASP 6 CO 0.71 0.42 -0.62 -0.62 -3.12 0.00 0.00 179.24 176.01 2sh1 s ASP 7 N -6.41 4.45 -0.36 6.45 2.15 -1.21 -4.37 116.67 117.36 2sh1 s ASP 7 Ca 0.04 -3.52 0.00 0.00 0.43 0.00 0.00 52.55 49.50 2sh1 s ASP 7 Cb 0.07 -1.55 0.13 0.00 -0.30 0.00 0.00 42.92 41.28 2sh1 s ASP 7 CO 0.73 -0.14 0.20 -1.61 -0.17 0.00 0.00 175.17 174.18 2sh1 s GLU 8 N -0.96 0.72 7.63 4.34 0.41 0.10 -3.91 118.70 127.03 2sh1 s GLU 8 Ca 0.23 -1.40 0.00 0.00 -0.41 0.00 0.00 54.97 53.39 2sh1 s GLU 8 Cb -0.11 -1.63 0.00 0.00 -1.78 0.00 0.00 34.13 30.61 2sh1 s GLU 8 CO -0.11 -1.15 0.00 0.41 -0.49 0.00 0.00 175.26 173.91 2sh1 n GLY 9 N 4.12 2.76 3.35 -1.39 0.00 -1.26 -1.48 105.19 111.29 2sh1 n GLY 9 Ca 0.08 -0.26 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 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 12.94 1.56 0.00 1.61 -0.02 -1.26 -4.74 135.00 145.08 2sh1 n PRO 10 Ca 0.00 -2.17 0.00 0.00 -2.02 0.00 0.00 63.50 59.31 2sh1 n PRO 10 Cb 0.00 -3.32 0.00 0.00 -0.02 0.00 0.00 33.50 30.16 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 10.95 0.00 -3.64 2.55 9.92 -1.24 -4.40 116.55 130.69 2sh1 n ASP 11 Ca 0.47 0.00 -0.27 0.00 -0.53 0.00 0.00 54.79 54.46 2sh1 n ASP 11 Cb 0.44 0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 40.81 2sh1 n ASP 11 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 2sh1 n ILE 12 N 0.00 0.57 0.00 0.53 -6.64 -1.18 0.03 119.36 112.67 2sh1 n ILE 12 Ca 0.00 -4.35 0.00 0.00 -1.77 0.00 0.00 62.75 56.63 2sh1 n ILE 12 Cb 0.00 -1.98 0.00 0.00 -1.44 0.00 0.00 39.64 36.22 2sh1 n ILE 12 CO 0.00 0.00 0.00 0.54 -1.77 0.00 0.00 176.55 175.32 2sh1 n ARG 13 N 2.12 0.00 -1.63 6.28 1.74 -0.55 -4.60 116.66 120.03 2sh1 n ARG 13 Ca 0.24 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.96 2sh1 n ARG 13 Cb 0.41 -0.31 -0.03 0.00 -1.02 0.00 0.00 32.46 31.51 2sh1 n ARG 13 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2sh1 n THR 14 N -0.39 4.58 -0.27 0.55 -2.24 -1.26 -4.80 114.28 110.45 2sh1 n THR 14 Ca 0.00 -3.38 0.07 0.00 -2.27 0.00 0.00 64.05 58.48 2sh1 n THR 14 Cb 0.00 -2.22 0.22 0.00 -2.10 0.00 0.00 70.33 66.23 2sh1 n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2sh1 h ALA 15 N 4.48 1.16 -3.00 6.98 0.00 -1.81 -3.40 119.26 123.67 2sh1 h ALA 15 Ca 0.70 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.74 2sh1 h ALA 15 Cb 0.42 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2sh1 h ALA 15 CO 1.44 -0.24 0.00 -0.35 0.00 0.00 0.00 179.25 180.10 2sh1 n PRO 16 N -5.02 2.25 -2.43 0.00 -0.04 -1.26 -0.73 135.00 127.77 2sh1 n PRO 16 Ca 0.16 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.25 2sh1 n PRO 16 Cb 0.48 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.90 2sh1 n PRO 16 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2sh1 s LEU 17 N 0.00 3.40 0.19 1.53 1.43 -1.26 -2.74 118.68 121.23 2sh1 s LEU 17 Ca 0.00 -1.19 0.00 0.00 -1.03 0.00 0.00 54.13 51.91 2sh1 s LEU 17 Cb 0.00 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.65 2sh1 s LEU 17 CO 0.00 -1.82 0.00 0.35 0.23 0.00 0.00 176.35 175.11 2sh1 n THR 18 N 7.09 0.66 -1.66 5.49 -2.24 -0.21 -4.61 114.28 118.81 2sh1 n THR 18 Ca 0.33 0.22 -0.61 0.00 -2.27 0.00 0.00 64.05 61.71 2sh1 n THR 18 Cb 0.50 -1.09 -0.09 0.00 -2.10 0.00 0.00 70.33 67.55 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 2.58 0.47 3.68 3.38 0.00 -0.31 -4.25 105.19 110.74 2sh1 n GLY 19 Ca 0.00 0.98 -0.42 0.00 0.00 0.00 0.00 46.02 46.58 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 3.90 4.21 -0.64 2.61 2.01 0.46 -0.63 115.64 127.55 2sh1 s THR 20 Ca 1.04 1.52 -0.26 0.00 0.31 0.00 0.00 61.69 64.30 2sh1 s THR 20 Cb -1.27 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 67.23 2sh1 s THR 20 CO 0.71 -0.04 2.03 -0.69 -0.69 0.00 0.00 174.62 175.93 2sh1 s VAL 21 N 2.66 3.27 -0.05 3.82 1.01 -0.68 -0.76 120.40 129.67 2sh1 s VAL 21 Ca 0.56 0.06 -0.09 0.00 0.00 0.00 0.00 61.98 62.51 2sh1 s VAL 21 Cb -0.24 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.40 2sh1 s VAL 21 CO 0.20 -0.67 0.25 -1.81 0.00 0.00 0.00 175.10 173.08 2sh1 s ASP 22 N 9.17 6.53 -0.16 3.32 1.01 0.18 -4.62 116.67 132.10 2sh1 s ASP 22 Ca 0.76 0.63 -0.08 0.00 0.71 0.00 0.00 52.55 54.57 2sh1 s ASP 22 Cb -0.13 -2.12 -0.04 0.00 1.01 0.00 0.00 42.92 41.64 2sh1 s ASP 22 CO 0.18 0.34 0.11 -0.76 0.21 0.00 0.00 175.17 175.24 2sh1 s LEU 23 N -1.28 4.12 0.00 1.23 1.02 -1.26 -1.19 118.68 121.32 2sh1 s LEU 23 Ca 0.21 0.26 0.00 0.00 0.02 0.00 0.00 54.13 54.63 2sh1 s LEU 23 Cb -0.14 -2.03 0.00 0.00 0.02 0.00 0.00 46.19 44.05 2sh1 s LEU 23 CO 0.10 0.27 0.00 0.61 0.02 0.00 0.00 176.35 177.35 2sh1 n GLY 24 N 2.91 1.88 3.13 -3.19 0.00 0.08 -4.78 105.19 105.22 2sh1 n GLY 24 Ca -0.18 -0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.59 2sh1 n GLY 24 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2sh1 s SER 25 N 0.00 0.15 -0.05 1.61 0.01 -1.26 -5.04 113.70 109.12 2sh1 s SER 25 Ca 0.00 -0.50 -0.02 0.00 1.31 0.00 0.00 55.95 56.74 2sh1 s SER 25 Cb 0.00 0.24 -0.04 0.00 0.21 0.00 0.00 66.02 66.44 2sh1 s SER 25 CO 0.00 -0.52 0.06 0.00 0.41 0.00 0.00 173.24 173.19 2sh1 s ASN 27 N -1.32 4.30 -0.07 0.00 3.84 -1.26 -4.92 114.94 115.51 2sh1 s ASN 27 Ca 0.18 -0.14 -0.31 0.00 0.21 0.00 0.00 52.86 52.79 2sh1 s ASN 27 Cb -0.12 -0.26 -0.09 0.00 -0.55 0.00 0.00 41.25 40.23 2sh1 s ASN 27 CO 0.08 -1.90 2.00 0.00 -2.79 0.00 0.00 177.10 174.49 2sh1 n ALA 28 N -2.94 1.36 0.00 1.71 0.00 -1.26 -1.03 120.51 118.35 2sh1 n ALA 28 Ca 0.14 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.72 2sh1 n ALA 28 Cb 0.60 -2.66 0.00 0.00 0.00 0.00 0.00 19.45 17.40 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 4.82 1.25 3.48 0.00 0.00 -1.26 -5.01 105.19 108.46 2sh1 n GLY 29 Ca 0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.30 2.71 0.13 1.61 0.52 -0.20 -1.63 118.94 119.79 2sh1 s TRP 30 Ca 0.00 -0.71 -0.30 0.00 0.02 0.00 0.00 56.10 55.11 2sh1 s TRP 30 Cb 0.00 -4.38 -0.07 0.00 -1.15 0.00 0.00 33.47 27.88 2sh1 s TRP 30 CO 0.00 -1.70 1.14 -1.21 0.02 0.00 0.00 176.95 175.20 2sh1 s GLU 31 N 4.06 4.52 -1.20 4.98 2.02 0.20 -4.58 118.70 128.69 2sh1 s GLU 31 Ca 0.29 1.75 -0.21 0.00 0.02 0.00 0.00 54.97 56.81 2sh1 s GLU 31 Cb -0.11 -3.30 -0.03 0.00 0.10 0.00 0.00 34.13 30.79 2sh1 s GLU 31 CO 0.04 -0.07 1.85 0.15 0.02 0.00 0.00 175.26 177.26 2sh1 s LYS 32 N 0.19 3.04 0.12 1.61 1.02 -1.26 -1.51 119.74 122.96 2sh1 s LYS 32 Ca 0.53 -1.40 -0.24 0.00 0.02 0.00 0.00 55.97 54.88 2sh1 s LYS 32 Cb -0.30 -5.34 -0.05 0.00 -0.52 0.00 0.00 37.83 31.62 2sh1 s LYS 32 CO 0.33 -3.30 1.67 0.00 -0.92 0.00 0.00 175.35 173.12 2sh1 s ALA 34 N -6.13 3.00 0.19 0.00 0.00 -0.83 -2.25 121.76 115.74 2sh1 s ALA 34 Ca -0.15 -3.22 -0.20 0.00 0.00 0.00 0.00 51.96 48.40 2sh1 s ALA 34 Cb 0.09 -2.04 0.13 0.00 0.00 0.00 0.00 23.12 21.31 2sh1 s ALA 34 CO 0.67 -2.05 1.60 0.66 0.00 0.00 0.00 175.76 176.63 2sh1 h SER 35 N 6.09 -1.02 -3.48 0.00 4.64 -1.74 -1.49 113.55 116.54 2sh1 h SER 35 Ca 0.05 0.21 -0.65 0.00 -0.47 0.00 0.00 61.79 60.93 2sh1 h SER 35 Cb 0.85 0.52 -0.26 0.00 -0.31 0.00 0.00 62.40 63.20 2sh1 h SER 35 CO 0.61 -0.29 -0.69 -0.47 -0.87 0.00 0.00 176.83 175.13 2sh1 s TYR 36 N -6.05 3.00 0.00 4.77 5.04 -1.26 -4.77 117.35 118.08 2sh1 s TYR 36 Ca -0.14 -0.75 0.00 0.00 -2.44 0.00 0.00 57.07 53.74 2sh1 s TYR 36 Cb 0.16 -2.15 0.00 0.00 0.35 0.00 0.00 41.96 40.32 2sh1 s TYR 36 CO 0.70 -0.47 0.00 0.98 -1.34 0.00 0.00 175.55 175.42 2sh1 n TYR 37 N 4.81 0.00 -3.64 4.97 9.36 -1.26 -4.97 117.16 126.44 2sh1 n TYR 37 Ca -0.17 0.00 -0.29 0.00 3.32 0.00 0.00 57.90 60.75 2sh1 n TYR 37 Cb 0.51 0.00 -0.15 0.00 -0.63 0.00 0.00 39.34 39.07 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 0.00 0.44 0.00 2.97 -4.23 -0.18 -5.05 115.64 109.60 2sh1 s THR 38 Ca 0.00 -1.16 0.00 0.00 -1.18 0.00 0.00 61.69 59.35 2sh1 s THR 38 Cb 0.00 -1.35 0.00 0.00 1.34 0.00 0.00 72.50 72.49 2sh1 s THR 38 CO 0.00 -0.72 0.00 -0.38 -0.54 0.00 0.00 174.62 172.98 2sh1 n ILE 39 N 4.96 0.00 0.19 2.99 -0.00 -1.26 -0.72 119.36 125.53 2sh1 n ILE 39 Ca -0.03 0.00 0.12 0.00 -0.00 0.00 0.00 62.75 62.84 2sh1 n ILE 39 Cb 0.42 0.00 0.23 0.00 -0.00 0.00 0.00 39.64 40.28 2sh1 n ILE 39 CO 0.00 0.00 0.00 2.30 -0.00 0.00 0.00 176.55 178.85 2sh1 n ILE 40 N 0.00 0.58 -3.90 1.39 -6.64 -1.26 -4.82 119.36 104.71 2sh1 n ILE 40 Ca 0.00 -0.79 -0.35 0.00 -1.77 0.00 0.00 62.75 59.84 2sh1 n ILE 40 Cb 0.00 0.91 -0.14 0.00 -1.44 0.00 0.00 39.64 38.97 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 -1.39 2.84 0.07 -1.28 0.00 0.11 -0.74 121.76 121.36 2sh1 s ALA 41 Ca 0.40 -1.79 0.06 0.00 0.00 0.00 0.00 51.96 50.63 2sh1 s ALA 41 Cb 0.23 -1.97 -0.03 0.00 0.00 0.00 0.00 23.12 21.35 2sh1 s ALA 41 CO 0.31 -1.30 -0.17 -0.51 0.00 0.00 0.00 175.76 174.10 2sh1 s ASP 42 N 1.28 2.02 -0.23 0.00 1.01 -0.33 -1.01 116.67 119.41 2sh1 s ASP 42 Ca -0.04 -0.60 -0.22 0.00 0.71 0.00 0.00 52.55 52.40 2sh1 s ASP 42 Cb -0.20 -0.10 -0.02 0.00 1.01 0.00 0.00 42.92 43.61 2sh1 s ASP 42 CO -0.01 0.01 0.70 0.00 0.21 0.00 0.00 175.17 176.08 2sh1 s ARG 45 N -0.03 2.06 -0.43 0.00 6.06 -0.57 -0.41 118.95 125.63 2sh1 s ARG 45 Ca 0.01 -0.54 -0.28 0.00 -2.50 0.00 0.00 55.73 52.41 2sh1 s ARG 45 Cb -0.04 -1.64 0.00 0.00 0.06 0.00 0.00 34.95 33.33 2sh1 s ARG 45 CO -0.00 0.07 1.53 0.21 -2.50 0.00 0.00 175.30 174.61 2sh1 s LYS 46 N 0.56 3.42 0.00 5.12 2.20 -1.26 -0.63 119.74 129.15 2sh1 s LYS 46 Ca -0.15 0.95 0.00 0.00 -0.36 0.00 0.00 55.97 56.41 2sh1 s LYS 46 Cb -0.16 -4.10 0.00 0.00 -1.51 0.00 0.00 37.83 32.06 2sh1 s LYS 46 CO 0.05 -1.76 0.00 1.63 -0.36 0.00 0.00 175.35 174.91 2sh1 n LYS 47 N 8.32 0.00 0.00 4.03 5.02 -0.64 -4.97 118.16 129.91 2sh1 n LYS 47 Ca 0.18 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 2sh1 n LYS 47 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.49 2sh1 n LYS 47 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51