#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 3.82 -0.27 -0.67 2.47 0.11 -4.71 119.74 120.48 1i2u s LYS 2 Ca 0.00 0.80 -0.05 0.00 -1.56 0.00 0.00 55.97 55.16 1i2u s LYS 2 Cb 0.00 -2.17 0.01 0.00 -1.46 0.00 0.00 37.83 34.22 1i2u s LYS 2 CO 0.00 -0.31 0.03 -1.17 0.16 0.00 0.00 175.35 174.05 1i2u s LEU 3 N -4.36 3.58 -0.06 5.43 2.96 -1.26 0.93 118.68 125.89 1i2u s LEU 3 Ca 0.56 -0.74 0.18 0.00 -0.22 0.00 0.00 54.13 53.91 1i2u s LEU 3 Cb -0.10 -1.80 -0.27 0.00 0.50 0.00 0.00 46.19 44.52 1i2u s LEU 3 CO 0.38 -0.16 0.32 2.30 -1.32 0.00 0.00 176.35 177.87 1i2u n ILE 4 N 4.80 0.28 -3.84 6.68 -6.64 -1.19 -4.99 119.36 114.46 1i2u n ILE 4 Ca -0.15 -0.49 -0.06 0.00 -1.77 0.00 0.00 62.75 60.28 1i2u n ILE 4 Cb 0.48 -0.07 0.02 0.00 -1.44 0.00 0.00 39.64 38.62 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 -4.34 0.20 0.47 3.28 0.00 -1.25 -5.05 107.32 100.63 1i2u s GLY 5 Ca -0.07 -0.50 0.08 0.00 0.00 0.00 0.00 44.72 44.23 1i2u s GLY 5 CO 0.74 0.84 0.59 -0.45 0.00 0.00 0.00 173.10 174.82 1i2u s SER 6 N -3.19 5.34 -0.20 1.64 0.15 0.71 -1.04 113.70 117.10 1i2u s SER 6 Ca 0.18 -0.65 0.15 0.00 0.70 0.00 0.00 55.95 56.33 1i2u s SER 6 Cb -0.04 -0.32 0.45 0.00 -1.71 0.00 0.00 66.02 64.41 1i2u s SER 6 CO 0.08 -0.92 1.18 0.00 1.20 0.00 0.00 173.24 174.78 1i2u s VAL 8 N -3.10 2.31 -0.66 0.00 1.01 -1.25 -3.79 120.40 114.91 1i2u s VAL 8 Ca 0.39 -2.81 -0.32 0.00 0.00 0.00 0.00 61.98 59.24 1i2u s VAL 8 Cb 0.38 -2.65 -0.16 0.00 0.00 0.00 0.00 36.38 33.95 1i2u s VAL 8 CO -0.05 -0.72 2.44 1.87 0.00 0.00 0.00 175.10 178.64 1i2u n TRP 9 N 3.66 1.09 0.00 5.22 -0.00 -1.26 -2.52 117.44 123.62 1i2u n TRP 9 Ca 0.05 0.34 0.00 0.00 -0.00 0.00 0.00 57.50 57.89 1i2u n TRP 9 Cb 0.36 -2.47 0.00 0.00 -0.00 0.00 0.00 31.31 29.21 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 6.52 0.68 3.92 5.87 0.00 -1.26 -5.14 105.19 115.78 1i2u n GLY 10 Ca 0.52 0.00 -0.26 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 0.00 3.54 -0.22 4.61 0.00 -1.05 -4.97 121.76 123.68 1i2u s ALA 11 Ca 0.00 -0.65 -0.05 0.00 0.00 0.00 0.00 51.96 51.26 1i2u s ALA 11 Cb 0.00 -2.37 -0.09 0.00 0.00 0.00 0.00 23.12 20.66 1i2u s ALA 11 CO 0.00 -0.12 3.13 0.28 0.00 0.00 0.00 175.76 179.05 1i2u n VAL 12 N -1.83 3.11 -1.95 0.00 0.31 -1.26 -3.59 118.33 113.11 1i2u n VAL 12 Ca -0.02 -2.15 0.00 0.00 -0.01 0.00 0.00 64.34 62.16 1i2u n VAL 12 Cb 0.55 -1.78 0.00 0.00 -0.91 0.00 0.00 33.84 31.71 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 1.65 0.00 -4.76 4.52 3.02 -1.26 -5.07 115.26 113.36 1i2u n ASN 13 Ca 0.44 -0.95 -0.39 0.00 -0.03 0.00 0.00 54.58 53.65 1i2u n ASN 13 Cb 0.73 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.86 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 3.47 -0.46 3.10 5.04 -1.24 -0.21 117.35 127.05 1i2u s TYR 14 Ca 0.00 1.68 -0.10 0.00 -2.44 0.00 0.00 57.07 56.20 1i2u s TYR 14 Cb 0.00 -3.26 0.10 0.00 0.35 0.00 0.00 41.96 39.15 1i2u s TYR 14 CO 0.00 -0.63 0.33 0.95 -1.34 0.00 0.00 175.55 174.86 1i2u s THR 15 N -1.29 4.41 0.31 4.34 -4.23 -1.04 -4.85 115.64 113.28 1i2u s THR 15 Ca 0.48 -1.55 0.02 0.00 -1.18 0.00 0.00 61.69 59.46 1i2u s THR 15 Cb -0.30 -3.80 0.29 0.00 1.34 0.00 0.00 72.50 70.04 1i2u s THR 15 CO 0.38 -0.67 1.90 -1.28 -0.54 0.00 0.00 174.62 174.41 1i2u h SER 16 N 8.51 0.85 -2.93 3.99 0.87 -1.94 -3.15 113.55 119.74 1i2u h SER 16 Ca -0.23 0.02 -0.62 0.00 -1.23 0.00 0.00 61.79 59.73 1i2u h SER 16 Cb 1.08 -0.16 -0.42 0.00 -0.44 0.00 0.00 62.40 62.46 1i2u h SER 16 CO 0.84 0.52 -0.60 -0.67 -0.53 0.00 0.00 176.83 176.39 1i2u n ASP 17 N -4.52 2.91 -0.05 6.23 -0.08 -1.26 -4.97 116.55 114.81 1i2u n ASP 17 Ca 0.15 -3.19 -0.11 0.00 -1.51 0.00 0.00 54.79 50.12 1i2u n ASP 17 Cb 0.26 -0.74 -0.08 0.00 2.34 0.00 0.00 41.12 42.91 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 -0.39 0.00 0.49 0.00 -0.00 -1.92 -1.06 115.58 112.69 1i2u h ASN 19 Ca 0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 56.30 56.32 1i2u h ASN 19 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.82 1i2u h ASN 19 CO -0.39 0.34 -0.25 1.23 -0.00 0.00 0.00 177.43 178.36 1i2u h GLY 20 N 1.89 -0.71 0.95 1.57 0.00 -1.62 0.23 103.07 105.38 1i2u h GLY 20 Ca -0.00 0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.60 1i2u h GLY 20 CO 0.04 -0.26 0.10 -2.09 0.00 0.00 0.00 176.54 174.33 1i2u h GLU 21 N -0.68 0.24 -0.45 4.80 4.57 -0.60 -0.59 114.58 121.87 1i2u h GLU 21 Ca -0.06 -0.03 0.09 0.00 -1.18 0.00 0.00 59.36 58.18 1i2u h GLU 21 Cb 0.53 -0.05 -0.09 0.00 -0.16 0.00 0.00 28.75 28.98 1i2u h GLU 21 CO 0.10 0.23 -0.20 0.00 -1.18 0.00 0.00 179.01 177.95 1i2u h LYS 23 N -0.11 1.21 -0.01 0.00 1.63 -0.29 0.19 116.57 119.20 1i2u h LYS 23 Ca 0.22 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.95 1i2u h LYS 23 Cb 0.44 -0.27 -0.00 0.00 -0.60 0.00 0.00 32.23 31.80 1i2u h LYS 23 CO -0.52 0.80 0.01 -0.09 -3.45 0.00 0.00 179.45 176.20 1i2u h ARG 24 N 1.25 0.00 -0.59 1.90 1.12 0.12 0.86 114.38 119.04 1i2u h ARG 24 Ca 0.35 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.22 1i2u h ARG 24 Cb -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.85 1i2u h ARG 24 CO -0.09 0.00 0.00 0.54 -3.11 0.00 0.00 179.97 177.31 1i2u n ARG 25 N -4.00 2.70 -1.40 0.20 1.74 0.55 -4.87 116.66 111.58 1i2u n ARG 25 Ca -0.03 -1.83 -0.14 0.00 -0.77 0.00 0.00 57.85 55.09 1i2u n ARG 25 Cb 0.09 -1.64 -0.06 0.00 -1.02 0.00 0.00 32.46 29.83 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 0.87 1.39 3.91 -0.13 0.00 0.30 -4.97 105.19 106.57 1i2u n GLY 26 Ca 0.17 -0.20 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.38 3.16 0.42 1.61 2.02 -0.47 -4.95 117.35 116.75 1i2u s TYR 27 Ca 0.00 0.70 0.18 0.00 -0.37 0.00 0.00 57.07 57.58 1i2u s TYR 27 Cb 0.00 -2.99 1.07 0.00 -0.40 0.00 0.00 41.96 39.64 1i2u s TYR 27 CO 0.00 -1.13 1.98 0.87 -1.57 0.00 0.00 175.55 175.70 1i2u h LYS 28 N -0.47 0.00 0.00 -0.62 1.57 -1.15 -3.40 116.57 112.51 1i2u h LYS 28 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1i2u h LYS 28 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1i2u h LYS 28 CO 0.62 0.21 0.00 0.41 -0.57 0.00 0.00 179.45 180.11 1i2u n GLY 29 N -0.78 3.99 0.00 3.86 0.00 -1.25 -4.94 105.19 106.07 1i2u n GLY 29 Ca -0.02 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.42 1i2u n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i2u n GLY 30 N -2.00 4.94 3.86 -0.02 0.00 -1.26 0.25 105.19 110.97 1i2u n GLY 30 Ca 0.00 -1.40 0.02 0.00 0.00 0.00 0.00 46.02 44.65 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 -1.24 0.01 0.45 1.61 -3.43 0.19 -4.44 115.29 108.43 1i2u s HIS 31 Ca 0.00 -0.11 -0.08 0.00 -0.80 0.00 0.00 55.06 54.07 1i2u s HIS 31 Cb 0.00 0.55 -0.05 0.00 -1.43 0.00 0.00 32.58 31.65 1i2u s HIS 31 CO 0.00 -0.25 0.79 0.00 -2.00 0.00 0.00 174.74 173.27 1i2u n GLY 33 N -1.82 -1.40 0.58 0.00 0.00 0.35 -4.74 105.19 98.16 1i2u n GLY 33 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -4.73 1.61 7.64 -1.26 -4.95 113.62 111.93 1i2u n SER 34 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 1i2u n SER 34 Cb 0.00 0.15 -0.04 0.00 -1.01 0.00 0.00 64.21 63.31 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 -0.34 3.52 -0.11 1.43 2.19 -1.26 -3.44 117.98 119.98 1i2u s PHE 35 Ca 0.00 1.48 0.00 0.00 0.33 0.00 0.00 56.93 58.74 1i2u s PHE 35 Cb 0.00 -3.34 0.00 0.00 -1.31 0.00 0.00 43.02 38.37 1i2u s PHE 35 CO 0.00 -0.88 0.00 0.00 1.83 0.00 0.00 175.22 176.17 1i2u n ALA 36 N 3.01 -0.43 -2.70 11.12 0.00 -1.26 -3.68 120.51 126.58 1i2u n ALA 36 Ca 0.05 0.01 -0.05 0.00 0.00 0.00 0.00 53.44 53.46 1i2u n ALA 36 Cb 0.46 -0.45 -0.04 0.00 0.00 0.00 0.00 19.45 19.42 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 -0.16 -1.99 -0.05 0.00 5.03 -1.22 -4.88 115.26 111.98 1i2u n ASN 37 Ca -0.01 1.28 -0.07 0.00 0.87 0.00 0.00 54.58 56.65 1i2u n ASN 37 Cb 0.24 -4.61 -0.05 0.00 -1.02 0.00 0.00 39.78 34.33 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 1.81 0.64 -3.70 2.41 0.24 -1.24 -3.83 118.33 114.65 1i2u n VAL 38 Ca -0.33 -0.26 -0.14 0.00 -2.04 0.00 0.00 64.34 61.56 1i2u n VAL 38 Cb 0.52 -0.88 -0.08 0.00 -1.47 0.00 0.00 33.84 31.93 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 -4.95 -0.34 -0.65 -1.34 0.01 -1.26 -1.24 114.94 105.18 1i2u s ASN 39 Ca -0.14 0.36 -0.21 0.00 -0.71 0.00 0.00 52.86 52.16 1i2u s ASN 39 Cb 0.04 0.46 0.08 0.00 0.41 0.00 0.00 41.25 42.24 1i2u s ASN 39 CO 0.27 -0.43 0.89 0.00 -1.51 0.00 0.00 177.10 176.32 1i2u s TRP 41 N 3.60 3.40 0.32 0.00 0.52 0.19 -3.15 118.94 123.82 1i2u s TRP 41 Ca 0.19 1.15 0.04 0.00 0.02 0.00 0.00 56.10 57.50 1i2u s TRP 41 Cb -0.19 -2.49 -0.06 0.00 -1.15 0.00 0.00 33.47 29.58 1i2u s TRP 41 CO 0.08 0.06 0.05 0.00 0.02 0.00 0.00 176.95 177.17 1i2u s GLU 43 N -3.89 2.18 0.00 0.00 0.41 0.14 0.17 118.70 117.70 1i2u s GLU 43 Ca 0.36 -1.40 0.01 0.00 -0.41 0.00 0.00 54.97 53.53 1i2u s GLU 43 Cb 0.08 -2.94 0.01 0.00 -1.78 0.00 0.00 34.13 29.50 1i2u s GLU 43 CO 0.15 -0.61 0.54 0.25 -0.49 0.00 0.00 175.26 175.10