#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 3.42 -0.22 -1.24 2.20 -0.19 -4.80 119.74 118.90 1i2u s LYS 2 Ca 0.00 -0.65 -0.25 0.00 -0.36 0.00 0.00 55.97 54.71 1i2u s LYS 2 Cb 0.00 -2.77 -0.01 0.00 -1.51 0.00 0.00 37.83 33.55 1i2u s LYS 2 CO 0.00 0.10 0.84 -1.17 -0.36 0.00 0.00 175.35 174.76 1i2u s LEU 3 N 0.66 4.10 -0.03 5.43 0.20 -1.26 0.81 118.68 128.59 1i2u s LEU 3 Ca -0.05 1.08 0.05 0.00 0.69 0.00 0.00 54.13 55.90 1i2u s LEU 3 Cb -0.15 -3.21 0.08 0.00 -0.43 0.00 0.00 46.19 42.48 1i2u s LEU 3 CO 0.02 -0.49 1.05 2.30 -0.29 0.00 0.00 176.35 178.94 1i2u n ILE 4 N 5.14 1.22 -0.25 6.68 -6.64 -1.12 -4.98 119.36 119.41 1i2u n ILE 4 Ca 0.06 -1.31 0.00 0.00 -1.77 0.00 0.00 62.75 59.73 1i2u n ILE 4 Cb 0.48 0.32 0.00 0.00 -1.44 0.00 0.00 39.64 39.00 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 -0.69 -2.15 0.00 3.28 0.00 -1.25 -4.96 105.19 99.41 1i2u n GLY 5 Ca 0.04 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1i2u n GLY 5 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1i2u n SER 6 N 1.81 0.00 -0.49 1.61 2.88 -1.07 -1.47 113.62 116.88 1i2u n SER 6 Ca 0.00 -0.95 0.00 0.00 -1.33 0.00 0.00 58.87 56.59 1i2u n SER 6 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1i2u n SER 6 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1i2u n VAL 8 N 0.00 0.00 -3.15 0.00 0.31 -1.07 -3.82 118.33 110.61 1i2u n VAL 8 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.38 1i2u n VAL 8 Cb 0.61 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.53 1i2u n VAL 8 CO 0.00 0.00 0.00 0.86 -1.32 0.00 0.00 176.83 176.37 1i2u s TRP 9 N 0.70 -0.90 0.00 3.52 -0.11 -1.26 -4.95 118.94 115.95 1i2u s TRP 9 Ca 0.00 0.80 0.00 0.00 1.22 0.00 0.00 56.10 58.12 1i2u s TRP 9 Cb 0.00 0.26 0.00 0.00 -1.50 0.00 0.00 33.47 32.23 1i2u s TRP 9 CO 0.00 -0.50 0.00 0.41 -4.62 0.00 0.00 176.95 172.24 1i2u n GLY 10 N 5.38 2.24 3.70 5.86 0.00 -1.26 -5.06 105.19 116.05 1i2u n GLY 10 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 1i2u n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i2u n ALA 11 N -0.17 1.23 -1.58 4.61 0.00 -1.26 -4.82 120.51 118.51 1i2u n ALA 11 Ca 0.00 0.19 -0.42 0.00 0.00 0.00 0.00 53.44 53.22 1i2u n ALA 11 Cb 0.00 -2.27 -0.01 0.00 0.00 0.00 0.00 19.45 17.17 1i2u n ALA 11 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1i2u n VAL 12 N -0.63 3.24 0.00 0.00 0.31 -1.26 -2.86 118.33 117.13 1i2u n VAL 12 Ca 0.08 -2.72 0.00 0.00 -0.01 0.00 0.00 64.34 61.70 1i2u n VAL 12 Cb 0.42 -2.56 0.00 0.00 -0.91 0.00 0.00 33.84 30.79 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 6.09 0.00 -4.60 4.52 3.02 -1.26 -5.01 115.26 118.01 1i2u n ASN 13 Ca 0.54 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 54.65 1i2u n ASN 13 Cb 0.37 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.54 1i2u n ASN 13 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1i2u n TYR 14 N -0.08 1.32 -3.73 3.10 4.19 -1.14 -2.60 117.16 118.23 1i2u n TYR 14 Ca 0.00 0.66 -0.38 0.00 3.31 0.00 0.00 57.90 61.49 1i2u n TYR 14 Cb 0.00 -2.26 -0.12 0.00 0.49 0.00 0.00 39.34 37.45 1i2u n TYR 14 CO 0.00 0.00 0.00 0.95 0.91 0.00 0.00 176.86 178.72 1i2u s THR 15 N -1.12 3.89 0.36 2.97 -4.23 -1.25 -4.84 115.64 111.43 1i2u s THR 15 Ca 0.59 -1.08 0.09 0.00 -1.18 0.00 0.00 61.69 60.11 1i2u s THR 15 Cb -0.65 -3.19 0.32 0.00 1.34 0.00 0.00 72.50 70.32 1i2u s THR 15 CO 0.60 -0.17 1.89 -1.28 -0.54 0.00 0.00 174.62 175.11 1i2u h SER 16 N 8.25 0.63 -2.96 3.99 0.87 -1.95 -3.18 113.55 119.20 1i2u h SER 16 Ca -0.24 0.03 -0.61 0.00 -1.23 0.00 0.00 61.79 59.74 1i2u h SER 16 Cb 1.09 -0.10 -0.41 0.00 -0.44 0.00 0.00 62.40 62.54 1i2u h SER 16 CO 0.61 0.34 -0.65 -0.62 -0.53 0.00 0.00 176.83 175.98 1i2u s ASP 17 N -5.87 4.20 0.10 6.23 -1.08 -1.26 -4.99 116.67 114.00 1i2u s ASP 17 Ca -0.10 -3.72 -0.26 0.00 -0.52 0.00 0.00 52.55 47.96 1i2u s ASP 17 Cb 0.21 -1.41 -0.08 0.00 -1.46 0.00 0.00 42.92 40.18 1i2u s ASP 17 CO 0.78 -0.10 1.43 0.00 0.52 0.00 0.00 175.17 177.80 1i2u h ASN 19 N -0.28 0.00 0.03 0.00 -0.00 -1.88 -0.94 115.58 112.51 1i2u h ASN 19 Ca 0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 56.30 56.36 1i2u h ASN 19 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.77 1i2u h ASN 19 CO -0.49 0.28 -0.01 1.23 -0.00 0.00 0.00 177.43 178.43 1i2u h GLY 20 N 1.37 -0.04 0.88 1.57 0.00 -1.33 0.32 103.07 105.84 1i2u h GLY 20 Ca -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 1i2u h GLY 20 CO 0.04 -0.01 0.06 -2.09 0.00 0.00 0.00 176.54 174.54 1i2u h GLU 21 N -0.16 0.24 -0.31 4.80 4.57 -0.32 0.07 114.58 123.47 1i2u h GLU 21 Ca -0.00 -0.04 0.06 0.00 -1.18 0.00 0.00 59.36 58.19 1i2u h GLU 21 Cb 0.15 -0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 28.65 1i2u h GLU 21 CO 0.01 0.33 -0.04 0.00 -1.18 0.00 0.00 179.01 178.12 1i2u h LYS 23 N 0.04 1.09 -0.19 0.00 1.63 -0.16 0.16 116.57 119.14 1i2u h LYS 23 Ca 0.15 -0.07 0.06 0.00 -0.85 0.00 0.00 60.65 59.94 1i2u h LYS 23 Cb 0.22 -0.25 -0.01 0.00 -0.60 0.00 0.00 32.23 31.59 1i2u h LYS 23 CO -0.29 0.72 0.19 -0.09 -3.45 0.00 0.00 179.45 176.54 1i2u h ARG 24 N 1.12 0.00 -0.64 1.90 1.12 0.61 0.32 114.38 118.81 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 -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.94 1i2u h ARG 24 CO -0.11 0.00 0.00 0.54 -3.11 0.00 0.00 179.97 177.29 1i2u n ARG 25 N -3.93 3.63 -1.67 0.20 1.74 0.45 -4.88 116.66 112.21 1i2u n ARG 25 Ca 0.02 -2.48 -0.20 0.00 -0.77 0.00 0.00 57.85 54.42 1i2u n ARG 25 Cb 0.32 -1.92 -0.08 0.00 -1.02 0.00 0.00 32.46 29.77 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 0.84 1.65 0.00 -0.13 0.00 0.11 -4.96 105.19 102.71 1i2u n GLY 26 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.49 -3.70 -0.03 1.61 4.02 -0.52 -4.99 117.16 111.05 1i2u n TYR 27 Ca -0.20 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.68 1i2u n TYR 27 Cb 0.66 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.98 1i2u n TYR 27 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 1i2u h LYS 28 N 0.00 0.00 -2.69 -0.72 1.57 -1.91 -3.43 116.57 109.39 1i2u h LYS 28 Ca 0.00 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.88 1i2u h LYS 28 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1i2u h LYS 28 CO 0.00 0.00 0.45 0.20 -0.57 0.00 0.00 179.45 179.53 1i2u s GLY 29 N -3.13 0.14 0.02 3.86 0.00 -1.26 -4.84 107.32 102.12 1i2u s GLY 29 Ca -0.03 -0.41 -0.28 0.00 0.00 0.00 0.00 44.72 43.99 1i2u s GLY 29 CO 0.05 1.02 0.67 -0.32 0.00 0.00 0.00 173.10 174.52 1i2u s GLY 30 N -3.20 -0.58 0.20 0.20 0.00 -1.26 0.17 107.32 102.84 1i2u s GLY 30 Ca 0.18 1.04 -0.22 0.00 0.00 0.00 0.00 44.72 45.72 1i2u s GLY 30 CO 0.07 0.67 0.99 -2.38 0.00 0.00 0.00 173.10 172.46 1i2u s HIS 31 N -2.12 0.02 0.69 1.90 -3.43 0.12 -2.83 115.29 109.64 1i2u s HIS 31 Ca -0.06 -0.43 -0.08 0.00 -0.80 0.00 0.00 55.06 53.69 1i2u s HIS 31 Cb -0.00 0.70 0.04 0.00 -1.43 0.00 0.00 32.58 31.88 1i2u s HIS 31 CO 0.01 -0.96 1.03 0.00 -2.00 0.00 0.00 174.74 172.82 1i2u n GLY 33 N -2.91 -1.87 0.00 0.00 0.00 -1.15 -4.79 105.19 94.47 1i2u n GLY 33 Ca 0.07 0.86 0.00 0.00 0.00 0.00 0.00 46.02 46.94 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 -4.81 1.61 7.64 -1.26 -4.88 113.62 111.92 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 -1.30 3.73 -0.41 1.43 5.36 -1.26 -4.10 117.98 121.43 1i2u s PHE 35 Ca 0.00 1.08 0.00 0.00 -0.96 0.00 0.00 56.93 57.05 1i2u s PHE 35 Cb 0.00 -2.40 0.00 0.00 -0.34 0.00 0.00 43.02 40.28 1i2u s PHE 35 CO 0.00 0.56 0.00 0.00 -1.46 0.00 0.00 175.22 174.32 1i2u n ALA 36 N 2.04 -0.89 -2.80 11.12 0.00 -1.26 -3.17 120.51 125.55 1i2u n ALA 36 Ca -0.12 0.04 -0.00 0.00 0.00 0.00 0.00 53.44 53.36 1i2u n ALA 36 Cb 0.52 -0.88 0.00 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 -1.55 -7.83 0.00 0.00 3.02 -1.26 -4.82 115.26 102.82 1i2u n ASN 37 Ca -0.06 1.27 0.00 0.00 -0.03 0.00 0.00 54.58 55.77 1i2u n ASN 37 Cb 0.53 -4.78 0.00 0.00 -0.61 0.00 0.00 39.78 34.92 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 0.79 0.00 -4.56 2.41 0.24 -1.19 -2.58 118.33 113.43 1i2u n VAL 38 Ca 0.00 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.08 1i2u n VAL 38 Cb 0.08 -0.29 -0.14 0.00 -1.47 0.00 0.00 33.84 32.02 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 -1.94 1.70 -0.30 -1.34 0.01 -1.26 0.11 114.94 111.91 1i2u s ASN 39 Ca 0.00 -0.33 -0.08 0.00 -0.71 0.00 0.00 52.86 51.74 1i2u s ASN 39 Cb 0.00 -0.16 0.01 0.00 0.41 0.00 0.00 41.25 41.50 1i2u s ASN 39 CO 0.00 0.13 0.10 0.00 -1.51 0.00 0.00 177.10 175.82 1i2u s TRP 41 N 1.53 3.35 0.35 0.00 0.52 0.54 -2.79 118.94 122.44 1i2u s TRP 41 Ca 0.03 0.24 0.07 0.00 0.02 0.00 0.00 56.10 56.47 1i2u s TRP 41 Cb -0.17 -1.76 -0.02 0.00 -1.15 0.00 0.00 33.47 30.37 1i2u s TRP 41 CO 0.04 0.58 0.35 0.00 0.02 0.00 0.00 176.95 177.93 1i2u h GLU 43 N 1.12 0.00 -0.00 0.00 3.07 -0.58 -0.49 114.58 117.70 1i2u h GLU 43 Ca -0.44 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.42 1i2u h GLU 43 Cb 1.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.17 1i2u h GLU 43 CO 0.57 0.00 0.00 -2.37 -1.40 0.00 0.00 179.01 175.81