#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 1.34 -0.30 -1.24 2.47 -0.44 -4.83 119.74 116.73 1i2u s LYS 2 Ca 0.00 -1.21 -0.13 0.00 -1.56 0.00 0.00 55.97 53.07 1i2u s LYS 2 Cb 0.00 -1.67 -0.03 0.00 -1.46 0.00 0.00 37.83 34.66 1i2u s LYS 2 CO 0.00 0.40 0.30 -1.17 0.16 0.00 0.00 175.35 175.04 1i2u s LEU 3 N -1.82 4.19 -0.00 5.43 0.20 -1.26 0.89 118.68 126.31 1i2u s LEU 3 Ca 0.10 -0.02 0.00 0.00 0.69 0.00 0.00 54.13 54.90 1i2u s LEU 3 Cb -0.10 -2.27 -0.00 0.00 -0.43 0.00 0.00 46.19 43.38 1i2u s LEU 3 CO 0.04 -0.19 0.01 2.30 -0.29 0.00 0.00 176.35 178.23 1i2u n ILE 4 N 5.13 0.00 -3.85 6.68 -6.64 -1.19 -4.99 119.36 114.51 1i2u n ILE 4 Ca -0.11 -0.37 0.01 0.00 -1.77 0.00 0.00 62.75 60.51 1i2u n ILE 4 Cb 0.51 0.87 0.01 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 -1.30 -0.17 0.43 3.28 0.00 -1.24 -5.03 107.32 103.30 1i2u s GLY 5 Ca 0.00 0.16 0.06 0.00 0.00 0.00 0.00 44.72 44.94 1i2u s GLY 5 CO 0.02 3.08 0.60 -0.45 0.00 0.00 0.00 173.10 176.35 1i2u s SER 6 N -3.44 5.64 -0.11 1.64 0.15 0.21 -1.06 113.70 116.73 1i2u s SER 6 Ca 0.23 -0.27 0.17 0.00 0.70 0.00 0.00 55.95 56.78 1i2u s SER 6 Cb 0.01 -0.84 0.40 0.00 -1.71 0.00 0.00 66.02 63.88 1i2u s SER 6 CO -0.00 -0.78 1.19 0.00 1.20 0.00 0.00 173.24 174.84 1i2u s VAL 8 N -1.79 3.55 -0.70 0.00 1.01 -1.25 -4.04 120.40 117.18 1i2u s VAL 8 Ca 0.34 -2.91 -0.34 0.00 0.00 0.00 0.00 61.98 59.07 1i2u s VAL 8 Cb 0.35 -3.34 -0.18 0.00 0.00 0.00 0.00 36.38 33.22 1i2u s VAL 8 CO -0.10 -0.85 2.44 1.87 0.00 0.00 0.00 175.10 178.46 1i2u n TRP 9 N 3.55 0.99 0.00 5.22 -0.00 -1.26 -1.54 117.44 124.41 1i2u n TRP 9 Ca 0.07 0.42 0.00 0.00 -0.00 0.00 0.00 57.50 57.99 1i2u n TRP 9 Cb 0.38 -2.42 0.00 0.00 -0.00 0.00 0.00 31.31 29.27 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 6.69 1.25 3.88 5.87 0.00 -1.26 -5.13 105.19 116.49 1i2u n GLY 10 Ca 0.55 0.00 -0.30 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 3.19 -0.18 4.61 0.00 -0.59 -4.94 121.76 123.85 1i2u s ALA 11 Ca 0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 51.96 51.69 1i2u s ALA 11 Cb 0.00 -2.92 -0.09 0.00 0.00 0.00 0.00 23.12 20.10 1i2u s ALA 11 CO 0.00 -0.60 3.06 0.28 0.00 0.00 0.00 175.76 178.51 1i2u n VAL 12 N -2.61 3.00 -1.63 0.00 0.31 -1.26 -3.62 118.33 112.52 1i2u n VAL 12 Ca 0.04 -1.93 -0.01 0.00 -0.01 0.00 0.00 64.34 62.43 1i2u n VAL 12 Cb 0.54 -1.76 -0.01 0.00 -0.91 0.00 0.00 33.84 31.70 1i2u n VAL 12 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1i2u n ASN 13 N 1.69 -0.12 -4.78 4.52 0.23 -1.26 -5.05 115.26 110.49 1i2u n ASN 13 Ca 0.40 -0.71 -0.35 0.00 -0.53 0.00 0.00 54.58 53.38 1i2u n ASN 13 Cb 0.73 0.04 -0.01 0.00 -2.08 0.00 0.00 39.78 38.45 1i2u n ASN 13 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 1i2u s TYR 14 N 0.00 2.85 -0.30 -2.53 6.14 -1.24 0.68 117.35 122.95 1i2u s TYR 14 Ca 0.00 1.56 -0.06 0.00 0.64 0.00 0.00 57.07 59.21 1i2u s TYR 14 Cb 0.00 -3.23 0.02 0.00 0.42 0.00 0.00 41.96 39.17 1i2u s TYR 14 CO 0.00 -1.27 0.07 0.95 0.64 0.00 0.00 175.55 175.94 1i2u s THR 15 N -1.78 3.85 0.04 4.34 -4.23 -0.89 -4.78 115.64 112.18 1i2u s THR 15 Ca 0.68 -0.80 -0.25 0.00 -1.18 0.00 0.00 61.69 60.13 1i2u s THR 15 Cb -0.22 -3.02 -0.17 0.00 1.34 0.00 0.00 72.50 70.42 1i2u s THR 15 CO 0.26 0.04 1.46 -1.28 -0.54 0.00 0.00 174.62 174.56 1i2u h SER 16 N 8.21 -0.20 -3.88 3.99 0.87 -1.95 -3.36 113.55 117.24 1i2u h SER 16 Ca -0.30 -0.17 -0.67 0.00 -1.23 0.00 0.00 61.79 59.43 1i2u h SER 16 Cb 1.12 0.05 -0.38 0.00 -0.44 0.00 0.00 62.40 62.74 1i2u h SER 16 CO 0.60 0.06 -0.44 -0.62 -0.53 0.00 0.00 176.83 175.90 1i2u s ASP 17 N -5.18 5.01 0.14 6.23 -1.08 -1.26 -4.98 116.67 115.55 1i2u s ASP 17 Ca -0.15 -3.26 -0.32 0.00 -0.52 0.00 0.00 52.55 48.30 1i2u s ASP 17 Cb 0.03 -1.76 -0.09 0.00 -1.46 0.00 0.00 42.92 39.64 1i2u s ASP 17 CO 0.62 -0.24 1.55 0.00 0.52 0.00 0.00 175.17 177.62 1i2u h ASN 19 N -0.32 0.73 -0.50 0.00 -0.00 -1.94 -0.84 115.58 112.71 1i2u h ASN 19 Ca 0.09 -0.31 0.10 0.00 -0.00 0.00 0.00 56.30 56.18 1i2u h ASN 19 Cb 0.56 -0.20 -0.09 0.00 -0.00 0.00 0.00 38.32 38.60 1i2u h ASN 19 CO -0.66 0.86 -0.09 1.23 -0.00 0.00 0.00 177.43 178.77 1i2u h GLY 20 N 0.57 0.41 0.79 1.57 0.00 -1.80 0.40 103.07 105.01 1i2u h GLY 20 Ca 0.12 0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.56 1i2u h GLY 20 CO 0.02 -0.18 -0.21 -2.09 0.00 0.00 0.00 176.54 174.08 1i2u h GLU 21 N 0.03 -0.57 -0.68 4.80 4.57 -0.86 -1.47 114.58 120.41 1i2u h GLU 21 Ca 0.24 0.04 0.14 0.00 -1.18 0.00 0.00 59.36 58.60 1i2u h GLU 21 Cb 0.38 0.13 -0.10 0.00 -0.16 0.00 0.00 28.75 29.00 1i2u h GLU 21 CO -0.49 -0.28 0.16 0.00 -1.18 0.00 0.00 179.01 177.22 1i2u h LYS 23 N 0.28 0.44 -0.08 0.00 1.63 -0.16 0.30 116.57 118.98 1i2u h LYS 23 Ca 0.37 -0.03 0.02 0.00 -0.85 0.00 0.00 60.65 60.16 1i2u h LYS 23 Cb 0.59 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 32.11 1i2u h LYS 23 CO -0.46 0.29 0.10 -0.09 -3.45 0.00 0.00 179.45 175.85 1i2u h ARG 24 N 0.45 0.00 -0.31 1.90 2.43 0.37 0.24 114.38 119.47 1i2u h ARG 24 Ca 0.16 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1i2u h ARG 24 Cb 0.02 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1i2u h ARG 24 CO -0.08 0.00 0.00 0.54 -1.51 0.00 0.00 179.97 178.92 1i2u n ARG 25 N -3.70 1.77 -0.91 0.20 1.74 0.91 -4.87 116.66 111.81 1i2u n ARG 25 Ca -0.01 -1.20 0.00 0.00 -0.77 0.00 0.00 57.85 55.87 1i2u n ARG 25 Cb 0.20 -1.29 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 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 1.06 0.80 2.33 -0.13 0.00 0.84 -5.03 105.19 105.06 1i2u n GLY 26 Ca 0.12 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.34 -3.93 -0.03 1.61 4.01 -0.36 -4.98 117.16 111.15 1i2u n TYR 27 Ca 0.00 -0.70 0.05 0.00 -0.16 0.00 0.00 57.90 57.09 1i2u n TYR 27 Cb 0.00 -0.64 -0.15 0.00 -0.31 0.00 0.00 39.34 38.24 1i2u n TYR 27 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 1i2u n LYS 28 N -2.85 0.69 0.00 -0.72 0.00 -1.26 -4.45 118.16 109.57 1i2u n LYS 28 Ca 0.10 -0.14 0.00 0.00 -0.00 0.00 0.00 58.31 58.27 1i2u n LYS 28 Cb 0.35 -1.47 0.00 0.00 -0.00 0.00 0.00 35.03 33.91 1i2u n LYS 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1i2u n GLY 29 N 1.49 2.87 0.66 2.58 0.00 -1.26 -4.92 105.19 106.62 1i2u n GLY 29 Ca -0.10 -0.84 -0.02 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.87 2.59 3.88 -0.02 0.00 -1.26 0.04 105.19 109.54 1i2u n GLY 30 Ca 0.00 -1.31 -0.02 0.00 0.00 0.00 0.00 46.02 44.69 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 -5.58 0.04 0.47 1.61 -3.43 0.39 -4.25 115.29 104.54 1i2u s HIS 31 Ca 0.05 -0.37 -0.15 0.00 -0.80 0.00 0.00 55.06 53.79 1i2u s HIS 31 Cb -0.00 0.66 -0.08 0.00 -1.43 0.00 0.00 32.58 31.73 1i2u s HIS 31 CO 0.03 -0.76 0.92 0.00 -2.00 0.00 0.00 174.74 172.93 1i2u n GLY 33 N -1.39 -1.34 0.62 0.00 0.00 0.34 -4.73 105.19 98.69 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 -4.71 1.61 7.64 -1.26 -4.99 113.62 111.90 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 0.15 -0.03 0.00 -1.01 0.00 0.00 64.21 63.32 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 -0.40 3.06 0.00 1.43 2.19 -1.26 -3.02 117.98 119.97 1i2u s PHE 35 Ca 0.00 0.71 0.00 0.00 0.33 0.00 0.00 56.93 57.97 1i2u s PHE 35 Cb 0.00 -3.85 0.00 0.00 -1.31 0.00 0.00 43.02 37.86 1i2u s PHE 35 CO 0.00 -3.11 0.00 0.00 1.83 0.00 0.00 175.22 173.94 1i2u n ALA 36 N 4.15 -0.70 -2.93 11.12 0.00 -1.26 -3.50 120.51 127.40 1i2u n ALA 36 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.56 1i2u n ALA 36 Cb 0.40 -0.37 -0.01 0.00 0.00 0.00 0.00 19.45 19.47 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 -0.94 -6.04 -0.08 0.00 4.13 -1.17 -4.90 115.26 106.26 1i2u n ASN 37 Ca 0.00 0.99 -0.11 0.00 1.68 0.00 0.00 54.58 57.14 1i2u n ASN 37 Cb 0.35 -3.30 -0.08 0.00 -1.54 0.00 0.00 39.78 35.21 1i2u n ASN 37 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 1i2u n VAL 38 N 1.48 0.92 -3.72 2.41 0.24 -1.23 -3.74 118.33 114.70 1i2u n VAL 38 Ca -0.08 -0.36 -0.13 0.00 -2.04 0.00 0.00 64.34 61.72 1i2u n VAL 38 Cb 0.29 -1.05 -0.08 0.00 -1.47 0.00 0.00 33.84 31.53 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 -5.51 -0.22 -0.31 -1.34 -0.87 -1.26 -1.30 114.94 104.12 1i2u s ASN 39 Ca -0.21 0.03 -0.12 0.00 -1.57 0.00 0.00 52.86 50.98 1i2u s ASN 39 Cb 0.06 0.37 -0.03 0.00 -0.02 0.00 0.00 41.25 41.62 1i2u s ASN 39 CO 0.38 -0.56 0.23 0.00 -2.57 0.00 0.00 177.10 174.58 1i2u s TRP 41 N 1.77 3.06 0.52 0.00 0.52 0.81 -3.14 118.94 122.47 1i2u s TRP 41 Ca 0.07 0.06 0.03 0.00 0.02 0.00 0.00 56.10 56.28 1i2u s TRP 41 Cb -0.17 -1.65 0.03 0.00 -1.15 0.00 0.00 33.47 30.53 1i2u s TRP 41 CO 0.11 0.46 0.73 0.00 0.02 0.00 0.00 176.95 178.26 1i2u n GLU 43 N -2.22 2.60 0.00 0.00 1.02 0.11 -1.33 120.64 120.81 1i2u n GLU 43 Ca 0.08 -3.33 0.00 0.00 -0.02 0.00 0.00 57.16 53.89 1i2u n GLU 43 Cb 0.60 -2.20 0.00 0.00 -0.02 0.00 0.00 31.44 29.81 1i2u n GLU 43 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56