#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i2u s LYS 2 N 0.00 1.30 -0.34 -1.24 2.20 -0.11 -4.84 119.74 116.71 1i2u s LYS 2 Ca 0.00 -1.64 -0.10 0.00 -0.36 0.00 0.00 55.97 53.87 1i2u s LYS 2 Cb 0.00 -0.66 0.01 0.00 -1.51 0.00 0.00 37.83 35.67 1i2u s LYS 2 CO 0.00 -0.05 0.18 -1.17 -0.36 0.00 0.00 175.35 173.95 1i2u s LEU 3 N -3.29 4.41 -0.01 5.43 2.96 -1.26 0.70 118.68 127.63 1i2u s LEU 3 Ca 0.26 -0.74 0.13 0.00 -0.22 0.00 0.00 54.13 53.57 1i2u s LEU 3 Cb 0.05 -2.02 -0.17 0.00 0.50 0.00 0.00 46.19 44.54 1i2u s LEU 3 CO 0.07 -0.28 0.45 2.30 -1.32 0.00 0.00 176.35 177.57 1i2u n ILE 4 N 5.00 0.00 -3.88 6.68 -6.64 -1.13 -5.00 119.36 114.39 1i2u n ILE 4 Ca -0.13 -0.24 -0.04 0.00 -1.77 0.00 0.00 62.75 60.57 1i2u n ILE 4 Cb 0.48 0.64 0.02 0.00 -1.44 0.00 0.00 39.64 39.34 1i2u n ILE 4 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1i2u n GLY 5 N 1.49 0.68 2.46 3.28 0.00 -1.25 -5.04 105.19 106.82 1i2u n GLY 5 Ca 0.00 -1.17 -0.13 0.00 0.00 0.00 0.00 46.02 44.72 1i2u n GLY 5 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1i2u n SER 6 N -1.35 1.09 -1.94 1.61 7.64 0.14 -1.45 113.62 119.37 1i2u n SER 6 Ca -0.04 -1.84 0.02 0.00 1.01 0.00 0.00 58.87 58.02 1i2u n SER 6 Cb 0.59 -0.34 0.04 0.00 -1.01 0.00 0.00 64.21 63.48 1i2u n SER 6 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i2u s VAL 8 N -1.58 2.24 -0.88 0.00 1.01 -1.25 -3.85 120.40 116.09 1i2u s VAL 8 Ca 0.32 -2.75 -0.22 0.00 0.00 0.00 0.00 61.98 59.33 1i2u s VAL 8 Cb 0.37 -2.60 -0.22 0.00 0.00 0.00 0.00 36.38 33.93 1i2u s VAL 8 CO -0.12 -0.73 2.43 0.79 0.00 0.00 0.00 175.10 177.48 1i2u n TRP 9 N 3.70 0.63 0.00 5.22 5.03 -1.26 -2.01 117.44 128.75 1i2u n TRP 9 Ca 0.05 0.15 0.00 0.00 3.03 0.00 0.00 57.50 60.72 1i2u n TRP 9 Cb 0.37 -1.86 0.00 0.00 -1.03 0.00 0.00 31.31 28.79 1i2u n TRP 9 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 1i2u n GLY 10 N 6.15 0.56 3.89 6.99 0.00 -1.26 -5.14 105.19 116.37 1i2u n GLY 10 Ca 0.59 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.31 1i2u n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i2u s ALA 11 N 0.00 3.29 -0.21 4.61 0.00 -0.85 -4.95 121.76 123.65 1i2u s ALA 11 Ca 0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 51.96 51.63 1i2u s ALA 11 Cb 0.00 -2.78 0.01 0.00 0.00 0.00 0.00 23.12 20.35 1i2u s ALA 11 CO 0.00 -0.40 2.63 0.28 0.00 0.00 0.00 175.76 178.27 1i2u n VAL 12 N -2.25 2.83 -1.99 0.00 0.31 -1.26 -3.54 118.33 112.43 1i2u n VAL 12 Ca 0.03 -1.75 0.00 0.00 -0.01 0.00 0.00 64.34 62.61 1i2u n VAL 12 Cb 0.55 -1.61 0.00 0.00 -0.91 0.00 0.00 33.84 31.87 1i2u n VAL 12 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1i2u n ASN 13 N 1.27 0.00 -4.80 4.52 4.13 -1.26 -5.07 115.26 114.05 1i2u n ASN 13 Ca 0.33 -1.09 -0.36 0.00 1.68 0.00 0.00 54.58 55.13 1i2u n ASN 13 Cb 0.64 -0.02 -0.06 0.00 -1.54 0.00 0.00 39.78 38.80 1i2u n ASN 13 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1i2u s TYR 14 N 0.00 3.64 -0.38 3.10 5.04 -1.23 0.26 117.35 127.78 1i2u s TYR 14 Ca 0.00 1.60 -0.07 0.00 -2.44 0.00 0.00 57.07 56.15 1i2u s TYR 14 Cb 0.00 -2.79 0.06 0.00 0.35 0.00 0.00 41.96 39.59 1i2u s TYR 14 CO 0.00 0.23 0.19 0.95 -1.34 0.00 0.00 175.55 175.58 1i2u s THR 15 N -1.63 3.96 0.18 4.34 -4.23 -1.22 -4.87 115.64 112.18 1i2u s THR 15 Ca 0.48 -1.34 -0.14 0.00 -1.18 0.00 0.00 61.69 59.52 1i2u s THR 15 Cb -0.17 -3.37 0.09 0.00 1.34 0.00 0.00 72.50 70.39 1i2u s THR 15 CO 0.22 -0.38 1.71 0.28 -0.54 0.00 0.00 174.62 175.91 1i2u h SER 16 N 8.30 -0.04 -3.99 3.99 0.02 -1.96 -3.27 113.55 116.59 1i2u h SER 16 Ca -0.22 0.09 -0.63 0.00 -0.84 0.00 0.00 61.79 60.19 1i2u h SER 16 Cb 1.08 0.13 -0.41 0.00 0.14 0.00 0.00 62.40 63.34 1i2u h SER 16 CO 0.69 0.01 -0.68 -0.62 -1.14 0.00 0.00 176.83 175.09 1i2u s ASP 17 N -5.30 4.07 0.13 3.07 -1.08 -1.26 -4.99 116.67 111.31 1i2u s ASP 17 Ca -0.13 -2.80 -0.33 0.00 -0.52 0.00 0.00 52.55 48.77 1i2u s ASP 17 Cb 0.15 -1.39 -0.11 0.00 -1.46 0.00 0.00 42.92 40.10 1i2u s ASP 17 CO 0.72 -0.25 1.55 0.00 0.52 0.00 0.00 175.17 177.71 1i2u h ASN 19 N -0.48 0.41 0.32 0.00 -0.00 -1.64 0.13 115.58 114.32 1i2u h ASN 19 Ca 0.06 -0.06 -0.01 0.00 -0.00 0.00 0.00 56.30 56.29 1i2u h ASN 19 Cb 0.64 -0.11 -0.01 0.00 -0.00 0.00 0.00 38.32 38.84 1i2u h ASN 19 CO -0.52 0.45 -0.21 1.23 -0.00 0.00 0.00 177.43 178.38 1i2u h GLY 20 N 0.72 -0.53 0.86 1.57 0.00 -1.42 0.29 103.07 104.57 1i2u h GLY 20 Ca 0.10 0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.65 1i2u h GLY 20 CO 0.00 -0.21 -0.13 -2.09 0.00 0.00 0.00 176.54 174.11 1i2u h GLU 21 N -0.51 -0.36 -0.51 4.80 4.57 -0.39 -0.53 114.58 121.64 1i2u h GLU 21 Ca -0.03 0.02 0.10 0.00 -1.18 0.00 0.00 59.36 58.28 1i2u h GLU 21 Cb 0.43 0.08 -0.10 0.00 -0.16 0.00 0.00 28.75 29.00 1i2u h GLU 21 CO 0.02 -0.14 -0.21 0.00 -1.18 0.00 0.00 179.01 177.51 1i2u h LYS 23 N -0.09 1.25 -0.24 0.00 1.63 -0.33 0.58 116.57 119.36 1i2u h LYS 23 Ca 0.24 -0.15 0.07 0.00 -0.85 0.00 0.00 60.65 59.96 1i2u h LYS 23 Cb 0.46 -0.25 -0.01 0.00 -0.60 0.00 0.00 32.23 31.84 1i2u h LYS 23 CO -0.57 0.92 0.25 -0.09 -3.45 0.00 0.00 179.45 176.50 1i2u h ARG 24 N 1.26 0.00 -0.62 1.90 2.43 0.11 0.21 114.38 119.66 1i2u h ARG 24 Ca 0.32 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.49 1i2u h ARG 24 Cb 0.03 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1i2u h ARG 24 CO -0.05 0.00 0.00 0.54 -1.51 0.00 0.00 179.97 178.95 1i2u n ARG 25 N -3.89 4.31 -1.00 0.20 1.74 0.06 -4.89 116.66 113.19 1i2u n ARG 25 Ca 0.03 -2.92 0.00 0.00 -0.77 0.00 0.00 57.85 54.19 1i2u n ARG 25 Cb 0.39 -2.10 0.00 0.00 -1.02 0.00 0.00 32.46 29.73 1i2u n ARG 25 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1i2u n GLY 26 N 0.81 0.29 0.00 -0.13 0.00 0.73 -5.00 105.19 101.89 1i2u n GLY 26 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 1i2u n GLY 26 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1i2u n TYR 27 N -2.55 -3.00 -0.11 1.61 4.01 -0.39 -4.98 117.16 111.75 1i2u n TYR 27 Ca 0.00 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.52 1i2u n TYR 27 Cb 0.21 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.15 1i2u n TYR 27 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1i2u n LYS 28 N -0.99 0.56 -3.99 -0.72 4.01 -1.26 -4.56 118.16 111.21 1i2u n LYS 28 Ca 0.00 0.45 0.04 0.00 -0.51 0.00 0.00 58.31 58.29 1i2u n LYS 28 Cb 0.00 -1.64 0.01 0.00 -0.51 0.00 0.00 35.03 32.89 1i2u n LYS 28 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 1i2u s GLY 29 N -5.03 -0.21 -0.25 0.72 0.00 -1.26 -4.78 107.32 96.51 1i2u s GLY 29 Ca -0.31 0.18 -0.37 0.00 0.00 0.00 0.00 44.72 44.22 1i2u s GLY 29 CO 0.52 6.07 1.31 -0.32 0.00 0.00 0.00 173.10 180.67 1i2u s GLY 30 N -3.85 -0.23 0.15 0.20 0.00 -1.26 0.29 107.32 102.62 1i2u s GLY 30 Ca 0.30 1.82 -0.24 0.00 0.00 0.00 0.00 44.72 46.60 1i2u s GLY 30 CO -0.02 0.62 1.04 -2.38 0.00 0.00 0.00 173.10 172.35 1i2u s HIS 31 N -2.15 -0.02 0.92 1.90 -3.43 0.70 -1.60 115.29 111.61 1i2u s HIS 31 Ca 0.11 -0.30 -0.12 0.00 -0.80 0.00 0.00 55.06 53.94 1i2u s HIS 31 Cb -0.01 0.66 0.14 0.00 -1.43 0.00 0.00 32.58 31.94 1i2u s HIS 31 CO -0.03 -0.80 1.14 0.00 -2.00 0.00 0.00 174.74 173.04 1i2u n GLY 33 N -2.14 -1.72 0.00 0.00 0.00 -1.19 -4.79 105.19 95.35 1i2u n GLY 33 Ca 0.06 0.78 0.00 0.00 0.00 0.00 0.00 46.02 46.87 1i2u n GLY 33 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1i2u n SER 34 N 0.00 0.00 -4.83 1.61 7.64 -1.26 -4.95 113.62 111.83 1i2u n SER 34 Ca 0.00 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.50 1i2u n SER 34 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1i2u n SER 34 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1i2u s PHE 35 N -0.78 3.74 -0.45 1.43 5.36 -1.26 -4.13 117.98 121.88 1i2u s PHE 35 Ca 0.00 1.04 0.00 0.00 -0.96 0.00 0.00 56.93 57.01 1i2u s PHE 35 Cb 0.00 -2.33 0.00 0.00 -0.34 0.00 0.00 43.02 40.35 1i2u s PHE 35 CO 0.00 0.63 0.00 0.00 -1.46 0.00 0.00 175.22 174.39 1i2u n ALA 36 N 1.84 -0.79 -2.77 11.12 0.00 -1.26 -3.37 120.51 125.29 1i2u n ALA 36 Ca -0.13 0.05 -0.01 0.00 0.00 0.00 0.00 53.44 53.35 1i2u n ALA 36 Cb 0.52 -0.89 -0.01 0.00 0.00 0.00 0.00 19.45 19.08 1i2u n ALA 36 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1i2u n ASN 37 N -1.34 -6.95 0.00 0.00 3.02 -1.26 -4.93 115.26 103.80 1i2u n ASN 37 Ca -0.06 1.31 0.00 0.00 -0.03 0.00 0.00 54.58 55.80 1i2u n ASN 37 Cb 0.49 -4.84 0.00 0.00 -0.61 0.00 0.00 39.78 34.82 1i2u n ASN 37 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1i2u n VAL 38 N 0.93 0.00 -4.07 2.41 0.24 -1.22 -3.88 118.33 112.75 1i2u n VAL 38 Ca -0.05 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.14 1i2u n VAL 38 Cb 0.14 -0.44 -0.11 0.00 -1.47 0.00 0.00 33.84 31.96 1i2u n VAL 38 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1i2u s ASN 39 N -2.28 0.73 -0.23 -1.34 0.01 -1.26 -0.16 114.94 110.42 1i2u s ASN 39 Ca 0.00 -0.68 -0.02 0.00 -0.71 0.00 0.00 52.86 51.46 1i2u s ASN 39 Cb 0.00 0.08 0.02 0.00 0.41 0.00 0.00 41.25 41.76 1i2u s ASN 39 CO 0.00 -0.32 -0.08 0.00 -1.51 0.00 0.00 177.10 175.19 1i2u s TRP 41 N 1.36 3.46 0.38 0.00 0.52 0.15 -2.83 118.94 121.98 1i2u s TRP 41 Ca 0.02 0.24 0.08 0.00 0.02 0.00 0.00 56.10 56.47 1i2u s TRP 41 Cb -0.15 -1.75 -0.05 0.00 -1.15 0.00 0.00 33.47 30.36 1i2u s TRP 41 CO -0.06 0.59 0.11 0.00 0.02 0.00 0.00 176.95 177.61 1i2u n GLU 43 N -1.11 2.24 0.00 0.00 4.71 0.15 -0.93 120.64 125.69 1i2u n GLU 43 Ca -0.03 -2.88 0.02 0.00 -0.01 0.00 0.00 57.16 54.26 1i2u n GLU 43 Cb 0.64 -2.13 0.10 0.00 -1.01 0.00 0.00 31.44 29.04 1i2u n GLU 43 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47