#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1shi s ALA 2 N 0.00 4.68 -0.27 0.00 0.00 -1.26 -1.30 121.76 123.61 1shi s ALA 2 Ca 0.00 -2.05 -0.27 0.00 0.00 0.00 0.00 51.96 49.64 1shi s ALA 2 Cb 0.00 -1.44 0.17 0.00 0.00 0.00 0.00 23.12 21.85 1shi s ALA 2 CO 0.00 -0.77 1.27 0.00 0.00 0.00 0.00 175.76 176.26 1shi n LYS 4 N 1.23 -0.05 -4.42 0.00 2.85 -1.26 -0.00 118.16 116.50 1shi n LYS 4 Ca -0.08 -0.99 -0.32 0.00 -1.05 0.00 0.00 58.31 55.87 1shi n LYS 4 Cb 0.57 -0.40 -0.10 0.00 -0.65 0.00 0.00 35.03 34.46 1shi n LYS 4 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1shi h ASP 6 N 4.44 0.00 -0.50 0.00 3.58 -1.96 -1.03 116.42 120.95 1shi h ASP 6 Ca -0.48 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.01 1shi h ASP 6 Cb 1.17 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.19 1shi h ASP 6 CO 0.54 0.00 0.33 0.44 -2.88 0.00 0.00 179.24 177.67 1shi h ASP 7 N 0.00 0.45 0.10 2.28 5.19 -1.94 -2.84 116.42 119.66 1shi h ASP 7 Ca 0.00 -0.00 -0.33 0.00 -0.62 0.00 0.00 57.03 56.07 1shi h ASP 7 Cb 0.01 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 39.40 1shi h ASP 7 CO -0.00 0.31 -1.81 -0.33 -3.12 0.00 0.00 179.24 174.29 1shi h GLU 8 N 0.52 0.22 0.00 3.56 5.08 -1.62 -3.50 114.58 118.84 1shi h GLU 8 Ca 0.21 -0.37 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1shi h GLU 8 Cb 0.17 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1shi h GLU 8 CO -0.05 1.18 0.00 0.41 -1.00 0.00 0.00 179.01 179.54 1shi n GLY 9 N 1.86 0.56 2.92 -3.84 0.00 -0.97 -3.86 105.19 101.86 1shi n GLY 9 Ca -0.31 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 1shi n GLY 9 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1shi n PRO 10 N 0.00 2.97 -2.10 1.61 -0.04 -1.26 -4.53 135.00 131.65 1shi n PRO 10 Ca 0.00 -2.81 -0.42 0.00 -0.04 0.00 0.00 63.50 60.23 1shi n PRO 10 Cb 0.00 -3.31 -0.03 0.00 -0.04 0.00 0.00 33.50 30.12 1shi n PRO 10 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1shi s ASP 11 N 3.29 5.94 0.11 3.54 1.01 -0.04 -4.62 116.67 125.90 1shi s ASP 11 Ca 0.48 1.04 0.00 0.00 0.71 0.00 0.00 52.55 54.78 1shi s ASP 11 Cb 0.11 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.51 1shi s ASP 11 CO -0.05 -1.72 0.00 -0.38 0.21 0.00 0.00 175.17 173.23 1shi n ILE 12 N 7.29 0.00 0.00 0.77 2.08 -1.26 -2.80 119.36 125.45 1shi n ILE 12 Ca 0.21 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.52 1shi n ILE 12 Cb 0.48 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.37 1shi n ILE 12 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 1shi n ARG 13 N 0.00 0.00 0.00 0.38 0.63 -1.26 -5.06 116.66 111.35 1shi n ARG 13 Ca 0.00 0.26 0.00 0.00 -0.92 0.00 0.00 57.85 57.19 1shi n ARG 13 Cb 0.00 -0.73 0.00 0.00 0.45 0.00 0.00 32.46 32.18 1shi n ARG 13 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 1shi n THR 14 N -2.07 0.00 -3.61 5.15 5.66 -1.12 -4.92 114.28 113.37 1shi n THR 14 Ca 0.00 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1shi n THR 14 Cb 0.00 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 68.77 1shi n THR 14 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1shi s ALA 15 N -1.97 -2.30 -0.82 1.79 0.00 -1.26 -0.86 121.76 116.34 1shi s ALA 15 Ca 0.00 1.49 0.02 0.00 0.00 0.00 0.00 51.96 53.47 1shi s ALA 15 Cb 0.00 -0.11 0.12 0.00 0.00 0.00 0.00 23.12 23.13 1shi s ALA 15 CO 0.00 -0.76 0.72 -0.35 0.00 0.00 0.00 175.76 175.38 1shi n PRO 16 N -0.21 1.55 -3.72 0.00 -0.04 -1.26 -4.90 135.00 126.42 1shi n PRO 16 Ca -0.01 -0.47 -0.26 0.00 -0.04 0.00 0.00 63.50 62.72 1shi n PRO 16 Cb 0.59 -1.58 0.01 0.00 -0.04 0.00 0.00 33.50 32.48 1shi n PRO 16 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1shi n LEU 17 N 0.11 -2.47 -0.33 1.53 7.99 -1.26 -4.79 117.00 117.79 1shi n LEU 17 Ca 0.05 -0.90 0.02 0.00 -0.01 0.00 0.00 56.01 55.17 1shi n LEU 17 Cb 0.42 -1.98 0.07 0.00 -0.11 0.00 0.00 43.42 41.82 1shi n LEU 17 CO 0.05 0.24 0.55 0.35 -1.51 0.00 0.00 177.39 177.07 1shi n THR 18 N -3.11 0.24 -4.34 -5.08 -2.24 -1.25 -4.75 114.28 93.74 1shi n THR 18 Ca -0.21 -0.22 -0.18 0.00 -2.27 0.00 0.00 64.05 61.18 1shi n THR 18 Cb 0.63 0.07 -0.10 0.00 -2.10 0.00 0.00 70.33 68.83 1shi n THR 18 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1shi s GLY 19 N -0.94 1.58 0.05 3.38 0.00 1.00 -4.45 107.32 107.94 1shi s GLY 19 Ca 0.11 -1.78 0.02 0.00 0.00 0.00 0.00 44.72 43.07 1shi s GLY 19 CO 0.07 -1.69 -0.08 -1.59 0.00 0.00 0.00 173.10 169.80 1shi s THR 20 N -3.34 0.60 0.00 0.90 2.01 -0.16 -2.22 115.64 113.43 1shi s THR 20 Ca 0.28 -1.13 -0.02 0.00 0.31 0.00 0.00 61.69 61.13 1shi s THR 20 Cb 0.05 -0.69 -0.04 0.00 0.01 0.00 0.00 72.50 71.84 1shi s THR 20 CO 0.09 -0.38 0.17 -0.69 -0.69 0.00 0.00 174.62 173.11 1shi s VAL 21 N -1.44 5.28 -0.06 3.82 1.01 -0.42 -1.72 120.40 126.86 1shi s VAL 21 Ca -0.09 -0.25 -0.01 0.00 0.00 0.00 0.00 61.98 61.63 1shi s VAL 21 Cb -0.10 -3.48 0.03 0.00 0.00 0.00 0.00 36.38 32.84 1shi s VAL 21 CO 0.00 0.30 0.01 -0.62 0.00 0.00 0.00 175.10 174.79 1shi s ASP 22 N -2.00 1.40 -0.92 3.32 -1.08 -1.21 -4.46 116.67 111.72 1shi s ASP 22 Ca 0.28 -0.06 -0.24 0.00 -0.52 0.00 0.00 52.55 52.00 1shi s ASP 22 Cb -0.13 -0.39 -0.23 0.00 -1.46 0.00 0.00 42.92 40.72 1shi s ASP 22 CO 0.19 -0.19 2.50 0.18 0.52 0.00 0.00 175.17 178.38 1shi n LEU 23 N 5.03 0.20 0.00 -1.34 7.99 -1.26 -1.71 117.00 125.91 1shi n LEU 23 Ca -0.09 -0.21 0.00 0.00 -0.01 0.00 0.00 56.01 55.70 1shi n LEU 23 Cb 0.50 -0.96 0.00 0.00 -0.11 0.00 0.00 43.42 42.85 1shi n LEU 23 CO 0.12 -1.15 0.00 0.61 -1.51 0.00 0.00 177.39 175.46 1shi n GLY 24 N 6.20 2.11 0.00 -0.72 0.00 -1.26 -5.06 105.19 106.46 1shi n GLY 24 Ca 0.61 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1shi n GLY 24 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1shi n SER 25 N 0.00 0.00 -4.73 1.61 2.88 -0.69 -4.67 113.62 108.01 1shi n SER 25 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 1shi n SER 25 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1shi n SER 25 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1shi n ASN 27 N 3.07 1.59 -4.63 0.00 3.02 -1.26 -4.88 115.26 112.17 1shi n ASN 27 Ca 0.08 -2.15 -0.51 0.00 -0.03 0.00 0.00 54.58 51.98 1shi n ASN 27 Cb 0.42 -0.30 -0.06 0.00 -0.61 0.00 0.00 39.78 39.23 1shi n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1shi n ALA 28 N -2.49 -0.14 -0.83 5.41 0.00 -1.26 -0.08 120.51 121.11 1shi n ALA 28 Ca -0.10 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1shi n ALA 28 Cb 0.44 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.70 1shi n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1shi n GLY 29 N 3.07 0.51 2.97 0.00 0.00 -1.26 -5.01 105.19 105.48 1shi n GLY 29 Ca 0.19 -0.66 -0.24 0.00 0.00 0.00 0.00 46.02 45.31 1shi n GLY 29 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1shi s TRP 30 N -2.00 1.32 -0.17 1.61 0.52 0.88 -0.37 118.94 120.73 1shi s TRP 30 Ca 0.00 -0.51 -0.02 0.00 0.02 0.00 0.00 56.10 55.59 1shi s TRP 30 Cb 0.00 -1.02 -0.01 0.00 -1.15 0.00 0.00 33.47 31.28 1shi s TRP 30 CO 0.00 -0.31 -0.08 -1.21 0.02 0.00 0.00 176.95 175.37 1shi s GLU 31 N 0.94 3.42 0.12 4.98 2.02 -0.93 -4.42 118.70 124.82 1shi s GLU 31 Ca -0.10 -0.64 -0.33 0.00 0.02 0.00 0.00 54.97 53.92 1shi s GLU 31 Cb -0.15 -2.83 -0.18 0.00 0.10 0.00 0.00 34.13 31.08 1shi s GLU 31 CO 0.01 0.04 0.85 1.17 0.02 0.00 0.00 175.26 177.35 1shi n LYS 32 N 4.07 0.24 0.00 1.61 4.81 -1.26 -0.98 118.16 126.64 1shi n LYS 32 Ca -0.18 0.08 0.00 0.00 -0.87 0.00 0.00 58.31 57.34 1shi n LYS 32 Cb 0.52 -1.37 0.00 0.00 0.02 0.00 0.00 35.03 34.20 1shi n LYS 32 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1shi s ALA 34 N -0.86 0.56 -1.40 0.00 0.00 -0.60 -3.67 121.76 115.80 1shi s ALA 34 Ca 0.00 -1.24 -0.12 0.00 0.00 0.00 0.00 51.96 50.60 1shi s ALA 34 Cb 0.00 0.34 0.08 0.00 0.00 0.00 0.00 23.12 23.54 1shi s ALA 34 CO 0.00 -0.38 2.14 0.43 0.00 0.00 0.00 175.76 177.95 1shi n SER 35 N 0.08 4.74 -1.70 0.00 7.64 -1.26 -4.61 113.62 118.51 1shi n SER 35 Ca -0.13 -2.94 -0.01 0.00 1.01 0.00 0.00 58.87 56.80 1shi n SER 35 Cb 0.61 -1.57 -0.00 0.00 -1.01 0.00 0.00 64.21 62.23 1shi n SER 35 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1shi n TYR 36 N 4.95 -0.75 0.00 1.43 9.36 -1.26 -4.96 117.16 125.93 1shi n TYR 36 Ca 0.49 0.39 0.00 0.00 3.32 0.00 0.00 57.90 62.10 1shi n TYR 36 Cb 0.37 -1.94 0.00 0.00 -0.63 0.00 0.00 39.34 37.14 1shi n TYR 36 CO 0.00 0.00 0.00 0.98 0.22 0.00 0.00 176.86 178.06 1shi n TYR 37 N 0.21 0.00 0.00 2.98 9.36 -1.23 -4.85 117.16 123.63 1shi n TYR 37 Ca -0.04 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.18 1shi n TYR 37 Cb 0.06 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.77 1shi n TYR 37 CO 0.00 0.00 0.00 -2.37 0.22 0.00 0.00 176.86 174.71 1shi n THR 38 N 0.00 0.00 0.04 2.97 5.66 -1.21 -4.94 114.28 116.81 1shi n THR 38 Ca 0.00 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 61.01 1shi n THR 38 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1shi n THR 38 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 1shi n ILE 39 N 0.00 0.05 -0.76 1.09 2.08 -1.26 -4.61 119.36 115.94 1shi n ILE 39 Ca 0.00 -0.52 0.00 0.00 0.56 0.00 0.00 62.75 62.79 1shi n ILE 39 Cb 0.00 1.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.89 1shi n ILE 39 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 1shi n ILE 40 N 0.04 0.13 -4.08 1.39 2.08 -1.26 -5.09 119.36 112.56 1shi n ILE 40 Ca 0.01 -0.18 -0.12 0.00 0.56 0.00 0.00 62.75 63.01 1shi n ILE 40 Cb 0.04 1.29 -0.06 0.00 -0.75 0.00 0.00 39.64 40.16 1shi n ILE 40 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1shi s ALA 41 N -0.13 0.49 0.01 -1.39 0.00 -1.26 -4.60 121.76 114.87 1shi s ALA 41 Ca 0.00 -1.32 0.03 0.00 0.00 0.00 0.00 51.96 50.67 1shi s ALA 41 Cb 0.00 1.18 -0.01 0.00 0.00 0.00 0.00 23.12 24.29 1shi s ALA 41 CO 0.00 -0.77 -0.11 0.34 0.00 0.00 0.00 175.76 175.23 1shi s ASP 42 N -3.14 1.24 -0.68 0.00 2.15 -1.26 -3.28 116.67 111.70 1shi s ASP 42 Ca 0.29 -0.26 -0.13 0.00 0.43 0.00 0.00 52.55 52.88 1shi s ASP 42 Cb 0.01 -0.11 0.17 0.00 -0.30 0.00 0.00 42.92 42.70 1shi s ASP 42 CO 0.14 0.08 0.61 0.00 -0.17 0.00 0.00 175.17 175.83 1shi s ARG 45 N -2.59 0.32 -0.93 0.00 3.52 -0.15 -0.99 118.95 118.14 1shi s ARG 45 Ca 0.12 -0.17 -0.22 0.00 -0.13 0.00 0.00 55.73 55.34 1shi s ARG 45 Cb -0.01 -1.78 -0.24 0.00 -1.56 0.00 0.00 34.95 31.35 1shi s ARG 45 CO 0.08 -0.61 2.45 1.17 -0.81 0.00 0.00 175.30 177.58 1shi n LYS 46 N 5.18 0.15 -1.11 5.12 4.81 -1.26 -2.20 118.16 128.86 1shi n LYS 46 Ca -0.07 -0.07 0.13 0.00 -0.87 0.00 0.00 58.31 57.42 1shi n LYS 46 Cb 0.48 -1.70 -0.04 0.00 0.02 0.00 0.00 35.03 33.79 1shi n LYS 46 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1shi n LYS 47 N 7.48 -2.07 0.00 1.64 4.76 0.50 -4.91 118.16 125.56 1shi n LYS 47 Ca 0.62 1.52 0.13 0.00 -2.87 0.00 0.00 58.31 57.71 1shi n LYS 47 Cb 0.16 -2.62 0.40 0.00 -1.84 0.00 0.00 35.03 31.13 1shi n LYS 47 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39