#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 3.30 -0.45 -1.24 2.20 0.17 -4.81 119.74 118.91 1i2u s LYS 2 Ca 0.00 -0.51 -0.23 0.00 -0.36 0.00 0.00 55.97 54.87 1i2u s LYS 2 Cb 0.00 -2.80 0.03 0.00 -1.51 0.00 0.00 37.83 33.55 1i2u s LYS 2 CO 0.00 0.44 0.79 -1.17 -0.36 0.00 0.00 175.35 175.05 1i2u s LEU 3 N -0.17 4.24 0.00 5.43 2.96 -1.26 0.98 118.68 130.86 1i2u s LEU 3 Ca 0.03 -0.11 0.22 0.00 -0.22 0.00 0.00 54.13 54.05 1i2u s LEU 3 Cb -0.13 -2.97 -0.06 0.00 0.50 0.00 0.00 46.19 43.53 1i2u s LEU 3 CO 0.02 -0.93 1.02 2.30 -1.32 0.00 0.00 176.35 177.44 1i2u n ILE 4 N 6.15 0.00 -3.95 6.68 -6.64 -1.16 -4.99 119.36 115.45 1i2u n ILE 4 Ca 0.02 -0.02 -0.00 0.00 -1.77 0.00 0.00 62.75 60.98 1i2u n ILE 4 Cb 0.48 0.88 0.02 0.00 -1.44 0.00 0.00 39.64 39.58 1i2u n ILE 4 CO 0.00 0.00 0.00 -0.83 -1.77 0.00 0.00 176.55 173.95 1i2u s GLY 5 N -2.94 0.01 0.51 3.28 0.00 -1.25 -5.01 107.32 101.92 1i2u s GLY 5 Ca 0.10 -0.18 0.07 0.00 0.00 0.00 0.00 44.72 44.71 1i2u s GLY 5 CO 0.81 4.24 0.53 -0.45 0.00 0.00 0.00 173.10 178.23 1i2u s SER 6 N -3.64 4.95 -0.14 1.64 0.15 0.22 -0.96 113.70 115.91 1i2u s SER 6 Ca 0.26 -0.95 0.14 0.00 0.70 0.00 0.00 55.95 56.11 1i2u s SER 6 Cb -0.02 0.07 0.36 0.00 -1.71 0.00 0.00 66.02 64.72 1i2u s SER 6 CO 0.02 -1.05 1.18 0.00 1.20 0.00 0.00 173.24 174.60 1i2u s VAL 8 N -2.45 4.70 -0.73 0.00 1.01 -1.25 -4.23 120.40 117.46 1i2u s VAL 8 Ca 0.33 -2.77 -0.35 0.00 0.00 0.00 0.00 61.98 59.19 1i2u s VAL 8 Cb 0.32 -3.96 -0.18 0.00 0.00 0.00 0.00 36.38 32.56 1i2u s VAL 8 CO -0.05 -0.96 2.44 1.87 0.00 0.00 0.00 175.10 178.40 1i2u n TRP 9 N 3.66 0.94 0.00 5.22 -0.00 -1.26 -0.44 117.44 125.56 1i2u n TRP 9 Ca 0.12 0.46 0.00 0.00 -0.00 0.00 0.00 57.50 58.08 1i2u n TRP 9 Cb 0.42 -2.39 0.00 0.00 -0.00 0.00 0.00 31.31 29.34 1i2u n TRP 9 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1i2u n GLY 10 N 6.77 1.03 3.78 5.87 0.00 -1.26 -5.12 105.19 116.25 1i2u n GLY 10 Ca 0.57 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.45 2.40 -0.18 4.61 0.00 0.41 -4.89 121.76 123.66 1i2u s ALA 11 Ca 0.00 0.30 -0.04 0.00 0.00 0.00 0.00 51.96 52.22 1i2u s ALA 11 Cb 0.00 -3.26 -0.08 0.00 0.00 0.00 0.00 23.12 19.78 1i2u s ALA 11 CO 0.00 -1.52 2.98 0.28 0.00 0.00 0.00 175.76 177.50 1i2u n VAL 12 N -3.15 2.95 -1.68 0.00 0.31 -1.26 -3.53 118.33 111.97 1i2u n VAL 12 Ca 0.09 -1.86 0.00 0.00 -0.01 0.00 0.00 64.34 62.56 1i2u n VAL 12 Cb 0.53 -1.74 0.00 0.00 -0.91 0.00 0.00 33.84 31.72 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 1.63 0.00 -4.78 4.52 3.02 -1.26 -5.04 115.26 113.35 1i2u n ASN 13 Ca 0.38 -0.76 -0.37 0.00 -0.03 0.00 0.00 54.58 53.80 1i2u n ASN 13 Cb 0.71 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.85 1i2u n ASN 13 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1i2u s TYR 14 N 0.00 3.20 -0.42 3.10 5.04 -1.23 0.71 117.35 127.75 1i2u s TYR 14 Ca 0.00 1.62 0.03 0.00 -2.44 0.00 0.00 57.07 56.28 1i2u s TYR 14 Cb 0.00 -3.21 0.11 0.00 0.35 0.00 0.00 41.96 39.21 1i2u s TYR 14 CO 0.00 -0.85 0.15 0.95 -1.34 0.00 0.00 175.55 174.46 1i2u s THR 15 N -1.57 2.52 0.19 4.34 -4.23 -1.12 -4.81 115.64 110.96 1i2u s THR 15 Ca 0.58 -2.69 -0.12 0.00 -1.18 0.00 0.00 61.69 58.27 1i2u s THR 15 Cb -0.25 -2.80 0.10 0.00 1.34 0.00 0.00 72.50 70.89 1i2u s THR 15 CO 0.31 -0.69 1.76 -1.28 -0.54 0.00 0.00 174.62 174.18 1i2u h SER 16 N 7.23 0.25 -2.97 3.99 0.87 -1.95 -3.10 113.55 117.87 1i2u h SER 16 Ca -0.06 0.05 -0.73 0.00 -1.23 0.00 0.00 61.79 59.83 1i2u h SER 16 Cb 0.97 0.02 -0.33 0.00 -0.44 0.00 0.00 62.40 62.62 1i2u h SER 16 CO 0.60 0.17 0.17 -0.67 -0.53 0.00 0.00 176.83 176.57 1i2u n ASP 17 N -4.97 5.04 -0.15 6.23 -0.08 -1.26 -4.90 116.55 116.46 1i2u n ASP 17 Ca 0.06 -3.28 -0.06 0.00 -1.51 0.00 0.00 54.79 49.99 1i2u n ASP 17 Cb 0.20 -1.09 -0.00 0.00 2.34 0.00 0.00 41.12 42.57 1i2u n ASP 17 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1i2u h ASN 19 N -0.20 0.62 0.26 0.00 -0.00 -1.91 -0.69 115.58 113.66 1i2u h ASN 19 Ca 0.20 -0.32 0.00 0.00 -0.00 0.00 0.00 56.30 56.19 1i2u h ASN 19 Cb 0.53 -0.18 -0.02 0.00 -0.00 0.00 0.00 38.32 38.65 1i2u h ASN 19 CO -0.58 1.02 -0.27 1.23 -0.00 0.00 0.00 177.43 178.83 1i2u h GLY 20 N 1.05 -0.60 0.83 1.57 0.00 -1.72 0.33 103.07 104.53 1i2u h GLY 20 Ca 0.02 0.31 0.02 0.00 0.00 0.00 0.00 47.33 47.69 1i2u h GLY 20 CO 0.10 -0.24 0.17 -2.09 0.00 0.00 0.00 176.54 174.48 1i2u h GLU 21 N -0.57 0.35 -0.39 4.80 4.57 -0.99 -1.14 114.58 121.22 1i2u h GLU 21 Ca -0.00 -0.02 0.08 0.00 -1.18 0.00 0.00 59.36 58.23 1i2u h GLU 21 Cb 0.53 -0.08 -0.08 0.00 -0.16 0.00 0.00 28.75 28.96 1i2u h GLU 21 CO -0.07 0.23 -0.14 0.00 -1.18 0.00 0.00 179.01 177.85 1i2u h LYS 23 N -0.06 0.68 -0.05 0.00 1.79 0.15 0.27 116.57 119.35 1i2u h LYS 23 Ca 0.19 -0.04 0.01 0.00 -2.18 0.00 0.00 60.65 58.63 1i2u h LYS 23 Cb 0.35 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 30.85 1i2u h LYS 23 CO -0.43 0.45 0.06 -0.09 -1.08 0.00 0.00 179.45 178.36 1i2u h ARG 24 N 0.70 0.00 -0.56 3.15 2.43 0.19 0.19 114.38 120.47 1i2u h ARG 24 Ca 0.28 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 1i2u h ARG 24 Cb 0.12 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1i2u h ARG 24 CO -0.15 0.00 0.00 0.54 -1.51 0.00 0.00 179.97 178.85 1i2u n ARG 25 N -3.67 2.55 -1.25 0.20 1.74 0.84 -4.87 116.66 112.20 1i2u n ARG 25 Ca -0.02 -1.76 -0.09 0.00 -0.77 0.00 0.00 57.85 55.21 1i2u n ARG 25 Cb 0.15 -1.58 -0.04 0.00 -1.02 0.00 0.00 32.46 29.98 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 0.93 0.99 3.92 -0.13 0.00 0.66 -4.98 105.19 106.58 1i2u n GLY 26 Ca 0.16 -0.26 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 1i2u n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1i2u s TYR 27 N -2.10 3.35 0.02 1.61 2.02 -0.51 -5.00 117.35 116.74 1i2u s TYR 27 Ca 0.00 0.62 -0.12 0.00 -0.37 0.00 0.00 57.07 57.20 1i2u s TYR 27 Cb 0.00 -2.50 -0.07 0.00 -0.40 0.00 0.00 41.96 39.00 1i2u s TYR 27 CO 0.00 -0.54 1.16 0.87 -1.57 0.00 0.00 175.55 175.48 1i2u h LYS 28 N 0.08 -0.41 -1.65 -0.62 1.57 -1.52 -3.38 116.57 110.65 1i2u h LYS 28 Ca -0.46 0.03 0.24 0.00 -1.87 0.00 0.00 60.65 58.59 1i2u h LYS 28 Cb 1.24 0.09 -0.17 0.00 0.08 0.00 0.00 32.23 33.48 1i2u h LYS 28 CO 0.60 -0.27 0.75 0.20 -0.57 0.00 0.00 179.45 180.16 1i2u s GLY 29 N -1.33 -0.34 0.00 3.86 0.00 -1.25 -4.80 107.32 103.46 1i2u s GLY 29 Ca -0.06 1.28 0.00 0.00 0.00 0.00 0.00 44.72 45.94 1i2u s GLY 29 CO 0.19 0.41 0.00 0.61 0.00 0.00 0.00 173.10 174.30 1i2u n GLY 30 N -0.20 3.68 3.83 0.20 0.00 -1.26 0.04 105.19 111.48 1i2u n GLY 30 Ca -0.03 -1.47 0.02 0.00 0.00 0.00 0.00 46.02 44.55 1i2u n GLY 30 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1i2u s HIS 31 N -3.43 0.00 0.52 1.61 -3.43 1.00 -4.29 115.29 107.26 1i2u s HIS 31 Ca 0.00 -0.11 -0.13 0.00 -0.80 0.00 0.00 55.06 54.03 1i2u s HIS 31 Cb 0.00 0.55 -0.06 0.00 -1.43 0.00 0.00 32.58 31.64 1i2u s HIS 31 CO 0.00 -0.26 0.93 0.00 -2.00 0.00 0.00 174.74 173.42 1i2u n GLY 33 N -1.91 -1.94 0.83 0.00 0.00 0.26 -4.72 105.19 97.71 1i2u n GLY 33 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -4.70 1.61 7.64 -1.26 -5.00 113.62 111.91 1i2u n SER 34 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 1i2u n SER 34 Cb 0.00 0.21 -0.03 0.00 -1.01 0.00 0.00 64.21 63.38 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 -0.76 2.35 0.00 1.43 2.19 -1.26 -2.70 117.98 119.23 1i2u s PHE 35 Ca 0.00 0.12 0.00 0.00 0.33 0.00 0.00 56.93 57.38 1i2u s PHE 35 Cb 0.00 -4.13 0.00 0.00 -1.31 0.00 0.00 43.02 37.58 1i2u s PHE 35 CO 0.00 -4.56 0.00 0.00 1.83 0.00 0.00 175.22 172.49 1i2u n ALA 36 N 5.32 -0.54 -3.11 11.12 0.00 -1.26 -3.45 120.51 128.59 1i2u n ALA 36 Ca 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.59 1i2u n ALA 36 Cb 0.38 -0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.50 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 -0.57 -6.83 -0.04 0.00 5.03 -1.10 -4.94 115.26 106.82 1i2u n ASN 37 Ca 0.00 0.59 -0.05 0.00 0.87 0.00 0.00 54.58 55.98 1i2u n ASN 37 Cb 0.27 -2.37 -0.05 0.00 -1.02 0.00 0.00 39.78 36.60 1i2u n ASN 37 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 1i2u n VAL 38 N 1.09 0.55 -4.07 2.41 0.24 -1.22 -3.90 118.33 113.43 1i2u n VAL 38 Ca -0.00 -0.27 -0.08 0.00 -2.04 0.00 0.00 64.34 61.95 1i2u n VAL 38 Cb 0.41 -0.82 -0.10 0.00 -1.47 0.00 0.00 33.84 31.86 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 -4.47 0.40 -0.18 -1.34 0.01 -1.26 -1.32 114.94 106.78 1i2u s ASN 39 Ca -0.09 -1.00 -0.01 0.00 -0.71 0.00 0.00 52.86 51.06 1i2u s ASN 39 Cb 0.03 0.24 0.00 0.00 0.41 0.00 0.00 41.25 41.93 1i2u s ASN 39 CO 0.27 -0.65 -0.13 0.00 -1.51 0.00 0.00 177.10 175.09 1i2u s TRP 41 N 1.14 3.23 0.33 0.00 0.52 0.75 -2.98 118.94 121.93 1i2u s TRP 41 Ca 0.01 0.06 0.03 0.00 0.02 0.00 0.00 56.10 56.22 1i2u s TRP 41 Cb -0.14 -1.60 -0.05 0.00 -1.15 0.00 0.00 33.47 30.53 1i2u s TRP 41 CO -0.04 0.53 0.10 0.00 0.02 0.00 0.00 176.95 177.55 1i2u s GLU 43 N -3.87 3.25 0.00 0.00 0.41 0.11 -0.66 118.70 117.94 1i2u s GLU 43 Ca 0.33 -0.70 0.00 0.00 -0.41 0.00 0.00 54.97 54.19 1i2u s GLU 43 Cb 0.06 -2.80 0.00 0.00 -1.78 0.00 0.00 34.13 29.62 1i2u s GLU 43 CO 0.15 -0.13 0.27 0.25 -0.49 0.00 0.00 175.26 175.31