#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 1.83 -0.46 0.11 2.47 -0.01 -4.84 119.74 118.84 1i2u s LYS 2 Ca 0.00 -1.04 -0.18 0.00 -1.56 0.00 0.00 55.97 53.19 1i2u s LYS 2 Cb 0.00 -1.94 0.04 0.00 -1.46 0.00 0.00 37.83 34.48 1i2u s LYS 2 CO 0.00 0.51 0.52 -1.17 0.16 0.00 0.00 175.35 175.37 1i2u s LEU 3 N -1.06 5.00 0.06 5.43 2.96 -1.26 0.11 118.68 129.91 1i2u s LEU 3 Ca 0.11 -0.85 0.22 0.00 -0.22 0.00 0.00 54.13 53.40 1i2u s LEU 3 Cb -0.10 -2.41 -0.14 0.00 0.50 0.00 0.00 46.19 44.05 1i2u s LEU 3 CO 0.01 -0.73 0.80 2.30 -1.32 0.00 0.00 176.35 177.41 1i2u n ILE 4 N 5.51 0.23 -3.86 6.68 -6.64 -1.18 -5.01 119.36 115.08 1i2u n ILE 4 Ca -0.07 -0.43 -0.04 0.00 -1.77 0.00 0.00 62.75 60.44 1i2u n ILE 4 Cb 0.46 0.00 0.02 0.00 -1.44 0.00 0.00 39.64 38.68 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 1.28 0.71 3.99 3.28 0.00 -1.25 -5.05 105.19 108.15 1i2u n GLY 5 Ca -0.01 -1.17 -0.19 0.00 0.00 0.00 0.00 46.02 44.65 1i2u n GLY 5 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1i2u s SER 6 N -3.28 5.31 -0.12 1.61 0.15 0.18 -1.33 113.70 116.22 1i2u s SER 6 Ca 0.21 -0.67 0.17 0.00 0.70 0.00 0.00 55.95 56.36 1i2u s SER 6 Cb -0.03 -0.28 0.41 0.00 -1.71 0.00 0.00 66.02 64.41 1i2u s SER 6 CO 0.07 -0.94 1.20 0.00 1.20 0.00 0.00 173.24 174.76 1i2u s VAL 8 N -1.92 4.44 -0.93 0.00 1.01 -1.23 -3.78 120.40 117.99 1i2u s VAL 8 Ca 0.36 -2.92 -0.17 0.00 0.00 0.00 0.00 61.98 59.25 1i2u s VAL 8 Cb 0.37 -3.81 -0.26 0.00 0.00 0.00 0.00 36.38 32.67 1i2u s VAL 8 CO -0.11 -0.96 2.32 1.87 0.00 0.00 0.00 175.10 178.23 1i2u n TRP 9 N 3.49 0.42 0.00 5.22 -0.00 -1.26 -1.58 117.44 123.73 1i2u n TRP 9 Ca 0.12 0.07 0.00 0.00 -0.00 0.00 0.00 57.50 57.69 1i2u n TRP 9 Cb 0.41 -1.38 0.00 0.00 -0.00 0.00 0.00 31.31 30.33 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 5.97 0.53 3.89 5.87 0.00 -1.26 -5.14 105.19 115.05 1i2u n GLY 10 Ca 0.62 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.35 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 3.25 -0.15 4.61 0.00 -0.61 -4.94 121.76 123.91 1i2u s ALA 11 Ca 0.00 -0.37 -0.04 0.00 0.00 0.00 0.00 51.96 51.54 1i2u s ALA 11 Cb 0.00 -2.79 -0.11 0.00 0.00 0.00 0.00 23.12 20.22 1i2u s ALA 11 CO 0.00 -0.58 3.07 0.28 0.00 0.00 0.00 175.76 178.53 1i2u n VAL 12 N -2.52 2.95 -1.75 0.00 0.31 -1.26 -3.63 118.33 112.43 1i2u n VAL 12 Ca 0.03 -1.81 -0.02 0.00 -0.01 0.00 0.00 64.34 62.54 1i2u n VAL 12 Cb 0.55 -1.77 -0.02 0.00 -0.91 0.00 0.00 33.84 31.69 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 1.76 -0.30 -4.77 4.52 0.23 -1.26 -5.07 115.26 110.36 1i2u n ASN 13 Ca 0.38 -0.98 -0.38 0.00 -0.53 0.00 0.00 54.58 53.07 1i2u n ASN 13 Cb 0.74 0.09 -0.04 0.00 -2.08 0.00 0.00 39.78 38.49 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 3.44 -0.46 -2.53 6.14 -1.24 -0.64 117.35 122.07 1i2u s TYR 14 Ca 0.00 1.69 -0.05 0.00 0.64 0.00 0.00 57.07 59.35 1i2u s TYR 14 Cb 0.00 -3.16 0.12 0.00 0.42 0.00 0.00 41.96 39.34 1i2u s TYR 14 CO 0.00 -0.48 0.28 0.95 0.64 0.00 0.00 175.55 176.94 1i2u s THR 15 N -1.46 3.60 0.08 4.34 -4.23 -1.00 -4.86 115.64 112.12 1i2u s THR 15 Ca 0.52 -2.11 -0.25 0.00 -1.18 0.00 0.00 61.69 58.67 1i2u s THR 15 Cb -0.25 -3.42 -0.16 0.00 1.34 0.00 0.00 72.50 70.00 1i2u s THR 15 CO 0.32 -0.74 1.71 -1.28 -0.54 0.00 0.00 174.62 174.09 1i2u h SER 16 N 8.02 -0.17 -3.28 3.99 0.87 -1.95 -3.22 113.55 117.81 1i2u h SER 16 Ca -0.13 -0.00 -0.79 0.00 -1.23 0.00 0.00 61.79 59.64 1i2u h SER 16 Cb 1.04 0.05 -0.29 0.00 -0.44 0.00 0.00 62.40 62.75 1i2u h SER 16 CO 0.74 -0.12 0.48 -0.67 -0.53 0.00 0.00 176.83 176.73 1i2u n ASP 17 N -5.18 5.64 -0.05 6.23 -0.08 -1.26 -4.88 116.55 116.97 1i2u n ASP 17 Ca -0.09 -3.19 -0.11 0.00 -1.51 0.00 0.00 54.79 49.90 1i2u n ASP 17 Cb 0.11 -1.29 -0.05 0.00 2.34 0.00 0.00 41.12 42.23 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 -0.42 0.71 -0.65 0.00 -0.00 -1.90 -0.89 115.58 112.43 1i2u h ASN 19 Ca 0.10 -0.58 0.13 0.00 -0.00 0.00 0.00 56.30 55.95 1i2u h ASN 19 Cb 0.60 -0.21 -0.10 0.00 -0.00 0.00 0.00 38.32 38.62 1i2u h ASN 19 CO -0.46 1.17 0.13 1.23 -0.00 0.00 0.00 177.43 179.50 1i2u h GLY 20 N 0.29 0.84 0.60 1.57 0.00 -1.88 0.19 103.07 104.68 1i2u h GLY 20 Ca -0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.29 1i2u h GLY 20 CO 0.10 -0.15 -0.04 -2.09 0.00 0.00 0.00 176.54 174.37 1i2u h GLU 21 N 0.25 -0.10 -0.69 4.80 4.57 -0.83 -1.25 114.58 121.34 1i2u h GLU 21 Ca 0.35 0.01 0.13 0.00 -1.18 0.00 0.00 59.36 58.67 1i2u h GLU 21 Cb 0.55 0.02 -0.13 0.00 -0.16 0.00 0.00 28.75 29.03 1i2u h GLU 21 CO -0.45 0.29 -0.25 0.00 -1.18 0.00 0.00 179.01 177.42 1i2u h LYS 23 N -0.06 0.02 -0.14 0.00 1.63 -0.64 0.21 116.57 117.58 1i2u h LYS 23 Ca 0.31 -0.00 0.04 0.00 -0.85 0.00 0.00 60.65 60.15 1i2u h LYS 23 Cb 0.55 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.17 1i2u h LYS 23 CO -0.74 0.01 0.19 -0.09 -3.45 0.00 0.00 179.45 175.37 1i2u h ARG 24 N 0.02 0.00 -0.27 1.90 1.12 0.77 0.28 114.38 118.19 1i2u h ARG 24 Ca 0.06 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.93 1i2u h ARG 24 Cb 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.04 1i2u h ARG 24 CO -0.12 0.00 0.00 0.54 -3.11 0.00 0.00 179.97 177.28 1i2u n ARG 25 N -3.65 1.72 -0.99 0.20 1.74 0.14 -4.86 116.66 110.96 1i2u n ARG 25 Ca 0.01 -1.11 0.00 0.00 -0.77 0.00 0.00 57.85 55.97 1i2u n ARG 25 Cb 0.30 -1.29 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 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 1.04 0.52 3.99 -0.13 0.00 0.98 -5.02 105.19 106.57 1i2u n GLY 26 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.16 1.52 -0.01 1.61 2.02 -0.34 -4.99 117.35 114.99 1i2u s TYR 27 Ca 0.00 -0.28 -0.08 0.00 -0.37 0.00 0.00 57.07 56.34 1i2u s TYR 27 Cb 0.00 -3.03 -0.05 0.00 -0.40 0.00 0.00 41.96 38.49 1i2u s TYR 27 CO 0.00 -1.77 0.56 0.87 -1.57 0.00 0.00 175.55 173.64 1i2u h LYS 28 N -0.58 -0.29 0.00 -0.62 1.57 -1.93 -3.36 116.57 111.36 1i2u h LYS 28 Ca -0.36 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 1i2u h LYS 28 Cb 1.26 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.64 1i2u h LYS 28 CO 0.39 -0.19 0.00 0.41 -0.57 0.00 0.00 179.45 179.49 1i2u n GLY 29 N 0.48 0.34 0.00 3.86 0.00 -1.26 -4.56 105.19 104.05 1i2u n GLY 29 Ca -0.04 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.02 4.01 3.87 -0.02 0.00 -1.26 0.14 105.19 111.92 1i2u n GLY 30 Ca 0.00 -1.29 0.02 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.74 0.01 0.53 1.61 -3.43 0.12 -4.19 115.29 107.21 1i2u s HIS 31 Ca 0.00 -0.16 -0.12 0.00 -0.80 0.00 0.00 55.06 53.98 1i2u s HIS 31 Cb 0.00 0.57 -0.06 0.00 -1.43 0.00 0.00 32.58 31.67 1i2u s HIS 31 CO 0.00 -0.36 0.94 0.00 -2.00 0.00 0.00 174.74 173.32 1i2u n GLY 33 N -2.08 -1.93 1.33 0.00 0.00 0.33 -4.73 105.19 98.10 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 -0.01 -4.71 1.61 7.64 -1.26 -5.00 113.62 111.89 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 0.34 -0.03 0.00 -1.01 0.00 0.00 64.21 63.51 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 -1.00 3.15 0.00 1.43 2.19 -1.26 -3.31 117.98 119.17 1i2u s PHE 35 Ca 0.00 0.95 0.00 0.00 0.33 0.00 0.00 56.93 58.21 1i2u s PHE 35 Cb 0.00 -3.64 0.00 0.00 -1.31 0.00 0.00 43.02 38.07 1i2u s PHE 35 CO 0.00 -2.26 0.00 0.00 1.83 0.00 0.00 175.22 174.79 1i2u n ALA 36 N 4.38 -0.42 -2.87 11.12 0.00 -1.26 -3.63 120.51 127.84 1i2u n ALA 36 Ca 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.54 1i2u n ALA 36 Cb 0.43 -0.34 -0.01 0.00 0.00 0.00 0.00 19.45 19.53 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 -0.11 -5.40 -0.00 0.00 3.02 -1.21 -4.92 115.26 106.63 1i2u n ASN 37 Ca 0.00 1.09 -0.00 0.00 -0.03 0.00 0.00 54.58 55.63 1i2u n ASN 37 Cb 0.21 -3.67 -0.00 0.00 -0.61 0.00 0.00 39.78 35.71 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 1.54 0.01 -4.23 2.41 0.24 -1.24 -3.85 118.33 113.21 1i2u n VAL 38 Ca -0.13 -0.01 -0.17 0.00 -2.04 0.00 0.00 64.34 62.00 1i2u n VAL 38 Cb 0.30 -0.55 -0.13 0.00 -1.47 0.00 0.00 33.84 31.99 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 -3.93 1.31 -0.38 -1.34 -0.87 -1.26 -0.07 114.94 108.40 1i2u s ASN 39 Ca -0.00 -0.45 -0.12 0.00 -1.57 0.00 0.00 52.86 50.71 1i2u s ASN 39 Cb 0.00 -0.06 0.02 0.00 -0.02 0.00 0.00 41.25 41.19 1i2u s ASN 39 CO 0.01 -0.04 0.23 0.00 -2.57 0.00 0.00 177.10 174.73 1i2u s TRP 41 N 1.61 3.45 0.34 0.00 0.52 0.75 -3.11 118.94 122.50 1i2u s TRP 41 Ca 0.03 0.20 0.09 0.00 0.02 0.00 0.00 56.10 56.44 1i2u s TRP 41 Cb -0.19 -1.72 -0.05 0.00 -1.15 0.00 0.00 33.47 30.36 1i2u s TRP 41 CO 0.08 0.57 0.03 0.00 0.02 0.00 0.00 176.95 177.65 1i2u h GLU 43 N 1.77 -0.13 0.00 0.00 5.08 -0.60 0.00 114.58 120.70 1i2u h GLU 43 Ca -0.43 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1i2u h GLU 43 Cb 1.25 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1i2u h GLU 43 CO 0.66 -0.09 0.00 0.25 -1.00 0.00 0.00 179.01 178.84