#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 3.79 -0.12 0.00 0.00 -1.26 -1.02 121.76 123.14 2sh1 s ALA 2 Ca 0.00 1.39 0.01 0.00 0.00 0.00 0.00 51.96 53.36 2sh1 s ALA 2 Cb 0.00 -3.63 -0.01 0.00 0.00 0.00 0.00 23.12 19.48 2sh1 s ALA 2 CO 0.00 -0.79 -0.17 0.00 0.00 0.00 0.00 175.76 174.80 2sh1 s LYS 4 N 0.43 3.38 0.13 0.00 2.20 -1.26 -4.03 119.74 120.59 2sh1 s LYS 4 Ca -0.13 -1.46 0.08 0.00 -0.36 0.00 0.00 55.97 54.10 2sh1 s LYS 4 Cb -0.16 -4.61 -0.04 0.00 -1.51 0.00 0.00 37.83 31.51 2sh1 s LYS 4 CO 0.06 -1.74 -0.19 0.00 -0.36 0.00 0.00 175.35 173.12 2sh1 n ASP 6 N 0.71 -0.19 -0.89 0.00 9.92 -0.88 -2.05 116.55 123.17 2sh1 n ASP 6 Ca -0.17 0.67 -0.01 0.00 -0.53 0.00 0.00 54.79 54.76 2sh1 n ASP 6 Cb 0.55 -0.22 0.02 0.00 -0.64 0.00 0.00 41.12 40.84 2sh1 n ASP 6 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 2sh1 n ASP 7 N -3.26 2.37 -3.62 -2.24 5.68 -1.18 -4.41 116.55 109.90 2sh1 n ASP 7 Ca 0.00 -2.09 -0.41 0.00 -0.50 0.00 0.00 54.79 51.79 2sh1 n ASP 7 Cb 0.05 -0.52 0.01 0.00 -1.14 0.00 0.00 41.12 39.52 2sh1 n ASP 7 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2sh1 n GLU 8 N 0.25 5.18 0.00 0.11 1.02 -0.87 -5.00 120.64 121.34 2sh1 n GLU 8 Ca 0.03 -4.37 0.00 0.00 -0.02 0.00 0.00 57.16 52.81 2sh1 n GLU 8 Cb 0.47 -2.52 0.00 0.00 -0.02 0.00 0.00 31.44 29.38 2sh1 n GLU 8 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2sh1 n GLY 9 N 0.47 2.55 2.77 0.62 0.00 -1.26 -2.33 105.19 108.01 2sh1 n GLY 9 Ca 0.49 0.34 -0.42 0.00 0.00 0.00 0.00 46.02 46.44 2sh1 n GLY 9 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2sh1 n PRO 10 N 10.48 2.68 0.00 1.61 -0.04 -1.26 -4.79 135.00 143.68 2sh1 n PRO 10 Ca 0.00 -2.49 0.03 0.00 -0.04 0.00 0.00 63.50 61.00 2sh1 n PRO 10 Cb 0.00 -3.23 0.14 0.00 -0.04 0.00 0.00 33.50 30.38 2sh1 n PRO 10 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2sh1 n ASP 11 N 6.23 0.00 -4.45 3.54 2.03 -0.98 -3.36 116.55 119.56 2sh1 n ASP 11 Ca 0.52 0.23 -0.44 0.00 0.52 0.00 0.00 54.79 55.62 2sh1 n ASP 11 Cb 0.39 -0.30 -0.03 0.00 -0.72 0.00 0.00 41.12 40.46 2sh1 n ASP 11 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2sh1 s ILE 12 N -2.61 4.60 0.00 5.18 1.09 -1.26 -4.51 121.20 123.69 2sh1 s ILE 12 Ca 0.05 -1.16 0.00 0.00 -1.10 0.00 0.00 60.65 58.44 2sh1 s ILE 12 Cb 0.04 -4.74 0.00 0.00 -1.06 0.00 0.00 42.46 36.70 2sh1 s ILE 12 CO 0.09 -1.48 0.00 0.54 -0.10 0.00 0.00 174.94 173.99 2sh1 n ARG 13 N 6.93 0.00 -1.36 2.79 1.74 -1.26 -4.65 116.66 120.85 2sh1 n ARG 13 Ca 0.14 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.96 2sh1 n ARG 13 Cb 0.48 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.83 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 0.00 3.68 -3.54 0.55 -2.24 -1.22 -4.90 114.28 106.61 2sh1 n THR 14 Ca 0.00 -2.58 -0.37 0.00 -2.27 0.00 0.00 64.05 58.83 2sh1 n THR 14 Cb 0.00 -2.00 -0.07 0.00 -2.10 0.00 0.00 70.33 66.17 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 0.05 3.62 -0.94 6.98 0.00 -1.21 -4.26 121.76 125.99 2sh1 s ALA 15 Ca 0.63 -0.41 -0.25 0.00 0.00 0.00 0.00 51.96 51.93 2sh1 s ALA 15 Cb 0.29 -2.38 -0.10 0.00 0.00 0.00 0.00 23.12 20.94 2sh1 s ALA 15 CO -0.09 0.18 2.08 -2.14 0.00 0.00 0.00 175.76 175.78 2sh1 s PRO 16 N 0.15 2.16 -1.09 0.00 0.02 -1.26 -4.89 135.00 130.11 2sh1 s PRO 16 Ca 0.18 -0.27 -0.26 0.00 0.02 0.00 0.00 61.00 60.67 2sh1 s PRO 16 Cb -0.14 -5.02 -0.21 0.00 0.02 0.00 0.00 34.50 29.16 2sh1 s PRO 16 CO 0.06 -3.98 2.11 -0.51 -0.33 0.00 0.00 177.00 174.35 2sh1 s LEU 17 N 12.16 2.44 -0.09 -5.54 1.43 -1.26 -4.54 118.68 123.28 2sh1 s LEU 17 Ca 0.77 -1.01 0.10 0.00 -1.03 0.00 0.00 54.13 52.96 2sh1 s LEU 17 Cb -0.07 -2.60 -0.14 0.00 0.03 0.00 0.00 46.19 43.41 2sh1 s LEU 17 CO 0.06 -4.59 0.09 0.35 0.23 0.00 0.00 176.35 172.49 2sh1 n THR 18 N 8.92 0.57 -2.04 5.49 -2.24 -1.26 -4.91 114.28 118.81 2sh1 n THR 18 Ca 0.42 -0.41 -0.40 0.00 -2.27 0.00 0.00 64.05 61.38 2sh1 n THR 18 Cb 0.47 -0.49 -0.01 0.00 -2.10 0.00 0.00 70.33 68.19 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 -4.10 2.97 -0.02 3.38 0.00 -1.26 -3.13 107.32 105.17 2sh1 s GLY 19 Ca -0.05 1.32 0.06 0.00 0.00 0.00 0.00 44.72 46.05 2sh1 s GLY 19 CO 0.45 1.97 -0.19 -1.59 0.00 0.00 0.00 173.10 173.74 2sh1 s THR 20 N -1.16 2.69 -0.63 0.90 2.01 -0.56 -0.46 115.64 118.45 2sh1 s THR 20 Ca 0.51 -0.96 -0.27 0.00 0.31 0.00 0.00 61.69 61.29 2sh1 s THR 20 Cb -0.41 -2.05 -0.02 0.00 0.01 0.00 0.00 72.50 70.04 2sh1 s THR 20 CO 0.54 0.52 1.81 -0.69 -0.69 0.00 0.00 174.62 176.11 2sh1 s VAL 21 N -0.75 3.39 -0.30 3.82 1.01 -0.19 -3.21 120.40 124.16 2sh1 s VAL 21 Ca 0.12 0.21 -0.12 0.00 0.00 0.00 0.00 61.98 62.19 2sh1 s VAL 21 Cb -0.10 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 2sh1 s VAL 21 CO 0.01 -0.99 0.24 -1.81 0.00 0.00 0.00 175.10 172.55 2sh1 s ASP 22 N 7.73 6.08 -0.28 3.32 1.01 0.64 -4.60 116.67 130.57 2sh1 s ASP 22 Ca 0.64 -0.08 -0.29 0.00 0.71 0.00 0.00 52.55 53.53 2sh1 s ASP 22 Cb -0.12 -2.14 0.00 0.00 1.01 0.00 0.00 42.92 41.67 2sh1 s ASP 22 CO 0.20 -0.14 1.24 -0.76 0.21 0.00 0.00 175.17 175.92 2sh1 s LEU 23 N 1.82 3.95 0.00 1.23 2.01 -1.26 -1.04 118.68 125.39 2sh1 s LEU 23 Ca 0.08 1.27 0.00 0.00 0.01 0.00 0.00 54.13 55.49 2sh1 s LEU 23 Cb -0.16 -3.54 0.00 0.00 0.01 0.00 0.00 46.19 42.50 2sh1 s LEU 23 CO 0.11 -0.97 0.00 0.61 1.01 0.00 0.00 176.35 177.11 2sh1 n GLY 24 N 4.06 1.53 3.51 -3.19 0.00 0.24 -4.82 105.19 106.53 2sh1 n GLY 24 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.13 3.98 0.59 1.61 0.15 -1.26 -4.60 113.70 114.03 2sh1 s SER 25 Ca 0.00 -0.53 -0.18 0.00 0.70 0.00 0.00 55.95 55.94 2sh1 s SER 25 Cb 0.00 -0.60 -0.04 0.00 -1.71 0.00 0.00 66.02 63.68 2sh1 s SER 25 CO 0.00 0.17 1.12 0.00 1.20 0.00 0.00 173.24 175.74 2sh1 s ASN 27 N -2.10 5.38 -0.08 0.00 3.84 -1.26 -4.93 114.94 115.80 2sh1 s ASN 27 Ca 0.70 2.40 -0.29 0.00 0.21 0.00 0.00 52.86 55.88 2sh1 s ASN 27 Cb -0.23 -2.60 -0.07 0.00 -0.55 0.00 0.00 41.25 37.81 2sh1 s ASN 27 CO 0.33 -1.47 1.92 0.00 -2.79 0.00 0.00 177.10 175.10 2sh1 s ALA 28 N -1.57 3.34 -0.87 1.71 0.00 -1.26 -1.82 121.76 121.29 2sh1 s ALA 28 Ca 0.75 1.01 0.00 0.00 0.00 0.00 0.00 51.96 53.71 2sh1 s ALA 28 Cb -0.31 -3.88 0.00 0.00 0.00 0.00 0.00 23.12 18.93 2sh1 s ALA 28 CO 0.34 -1.89 0.00 0.41 0.00 0.00 0.00 175.76 174.62 2sh1 n GLY 29 N 4.78 0.27 3.66 0.00 0.00 -1.26 -5.04 105.19 107.61 2sh1 n GLY 29 Ca 0.22 -0.51 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.45 3.11 -0.06 1.61 0.52 -0.75 -4.30 118.94 116.63 2sh1 s TRP 30 Ca 0.00 0.15 -0.15 0.00 0.02 0.00 0.00 56.10 56.12 2sh1 s TRP 30 Cb 0.00 -1.76 -0.05 0.00 -1.15 0.00 0.00 33.47 30.51 2sh1 s TRP 30 CO 0.00 0.44 0.39 -1.21 0.02 0.00 0.00 176.95 176.59 2sh1 s GLU 31 N -0.94 4.03 -0.02 4.98 2.02 -0.28 -4.78 118.70 123.71 2sh1 s GLU 31 Ca 0.14 0.34 -0.32 0.00 0.02 0.00 0.00 54.97 55.14 2sh1 s GLU 31 Cb -0.11 -3.29 -0.11 0.00 0.10 0.00 0.00 34.13 30.72 2sh1 s GLU 31 CO 0.03 0.52 1.91 1.63 0.02 0.00 0.00 175.26 179.37 2sh1 n LYS 32 N 2.48 2.49 -0.10 1.61 5.02 -1.26 -0.67 118.16 127.72 2sh1 n LYS 32 Ca -0.13 0.91 -0.18 0.00 -2.02 0.00 0.00 58.31 56.90 2sh1 n LYS 32 Cb 0.52 -2.80 -0.09 0.00 -0.02 0.00 0.00 35.03 32.64 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 -2.40 0.44 0.20 0.00 0.00 0.64 -2.06 121.76 118.57 2sh1 s ALA 34 Ca -0.29 -0.43 -0.13 0.00 0.00 0.00 0.00 51.96 51.12 2sh1 s ALA 34 Cb 0.09 -1.10 0.23 0.00 0.00 0.00 0.00 23.12 22.34 2sh1 s ALA 34 CO 0.43 -1.26 1.67 0.66 0.00 0.00 0.00 175.76 177.26 2sh1 h SER 35 N 8.42 -0.28 -3.40 0.00 4.64 -1.90 0.60 113.55 121.63 2sh1 h SER 35 Ca -0.16 0.14 -0.53 0.00 -0.47 0.00 0.00 61.79 60.77 2sh1 h SER 35 Cb 1.12 0.26 -0.33 0.00 -0.31 0.00 0.00 62.40 63.14 2sh1 h SER 35 CO 0.32 -0.11 -0.82 -0.47 -0.87 0.00 0.00 176.83 174.88 2sh1 s TYR 36 N -6.17 1.56 -0.15 4.77 5.04 -1.26 -4.50 117.35 116.65 2sh1 s TYR 36 Ca -0.14 -0.59 -0.08 0.00 -2.44 0.00 0.00 57.07 53.82 2sh1 s TYR 36 Cb 0.17 -1.14 -0.07 0.00 0.35 0.00 0.00 41.96 41.28 2sh1 s TYR 36 CO 0.73 -0.30 -0.20 0.98 -1.34 0.00 0.00 175.55 175.42 2sh1 n TYR 37 N 3.82 0.00 -3.93 4.97 9.36 -0.22 -4.87 117.16 126.28 2sh1 n TYR 37 Ca -0.22 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 60.90 2sh1 n TYR 37 Cb 0.52 -0.54 -0.02 0.00 -0.63 0.00 0.00 39.34 38.66 2sh1 n TYR 37 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 2sh1 s THR 38 N -2.29 0.00 0.00 2.97 -1.32 -0.79 -5.04 115.64 109.18 2sh1 s THR 38 Ca -0.21 -1.25 0.00 0.00 -1.21 0.00 0.00 61.69 59.02 2sh1 s THR 38 Cb 0.08 -2.44 0.00 0.00 -1.51 0.00 0.00 72.50 68.64 2sh1 s THR 38 CO 0.27 0.00 0.00 2.30 -2.21 0.00 0.00 174.62 174.98 2sh1 n ILE 39 N -0.48 0.00 -1.99 5.08 -5.35 -1.26 -0.47 119.36 114.89 2sh1 n ILE 39 Ca -0.03 0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.35 2sh1 n ILE 39 Cb 0.61 0.00 0.09 0.00 -1.74 0.00 0.00 39.64 38.59 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 -0.45 2.13 -3.90 7.28 -5.35 -1.26 -5.04 119.36 112.77 2sh1 n ILE 40 Ca 0.00 -3.55 -0.14 0.00 -0.27 0.00 0.00 62.75 58.79 2sh1 n ILE 40 Cb 0.00 -0.45 -0.15 0.00 -1.74 0.00 0.00 39.64 37.30 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 -3.26 0.11 0.27 -1.28 0.00 0.38 -0.59 121.76 117.39 2sh1 s ALA 41 Ca 0.43 0.04 0.10 0.00 0.00 0.00 0.00 51.96 52.54 2sh1 s ALA 41 Cb 0.39 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.36 2sh1 s ALA 41 CO -0.02 -0.01 -0.05 0.16 0.00 0.00 0.00 175.76 175.84 2sh1 s ASP 42 N 0.30 4.31 -0.19 0.00 -4.77 -0.21 -1.06 116.67 115.05 2sh1 s ASP 42 Ca -0.03 -0.73 0.01 0.00 -3.30 0.00 0.00 52.55 48.50 2sh1 s ASP 42 Cb -0.04 -0.71 0.04 0.00 -1.09 0.00 0.00 42.92 41.11 2sh1 s ASP 42 CO -0.01 0.01 -0.14 0.00 0.70 0.00 0.00 175.17 175.74 2sh1 s ARG 45 N -1.52 2.82 -0.73 0.00 1.70 0.16 -1.49 118.95 119.89 2sh1 s ARG 45 Ca 0.10 -0.73 -0.26 0.00 -0.47 0.00 0.00 55.73 54.38 2sh1 s ARG 45 Cb -0.10 -2.69 -0.04 0.00 -0.57 0.00 0.00 34.95 31.55 2sh1 s ARG 45 CO 0.03 0.55 1.98 0.21 -1.08 0.00 0.00 175.30 177.00 2sh1 s LYS 46 N -2.43 2.47 -0.27 3.89 2.20 -1.18 -1.12 119.74 123.29 2sh1 s LYS 46 Ca 0.29 0.30 -0.06 0.00 -0.36 0.00 0.00 55.97 56.15 2sh1 s LYS 46 Cb -0.12 -4.71 0.14 0.00 -1.51 0.00 0.00 37.83 31.63 2sh1 s LYS 46 CO 0.21 -3.17 0.55 0.21 -0.36 0.00 0.00 175.35 172.79 2sh1 s LYS 47 N 7.28 0.49 0.00 4.03 2.20 -1.26 -4.95 119.74 127.52 2sh1 s LYS 47 Ca 0.73 1.10 0.29 0.00 -0.36 0.00 0.00 55.97 57.74 2sh1 s LYS 47 Cb -0.11 0.47 1.35 0.00 -1.51 0.00 0.00 37.83 38.04 2sh1 s LYS 47 CO 0.11 -0.40 1.91 1.63 -0.36 0.00 0.00 175.35 178.25