#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i2v s LYS 2 N 0.00 3.07 0.92 -1.24 -0.14 -1.26 -4.81 119.74 116.27 1i2v s LYS 2 Ca 0.00 -0.94 -0.11 0.00 -1.36 0.00 0.00 55.97 53.56 1i2v s LYS 2 Cb 0.00 -3.88 0.14 0.00 -1.68 0.00 0.00 37.83 32.41 1i2v s LYS 2 CO 0.00 -0.66 1.09 -1.17 -0.76 0.00 0.00 175.35 173.85 1i2v s LEU 3 N 1.66 2.31 0.00 3.17 0.20 -1.26 -0.08 118.68 124.68 1i2v s LEU 3 Ca 0.05 1.70 0.00 0.00 0.69 0.00 0.00 54.13 56.57 1i2v s LEU 3 Cb -0.19 -4.09 0.00 0.00 -0.43 0.00 0.00 46.19 41.49 1i2v s LEU 3 CO 0.09 -2.87 0.00 2.30 -0.29 0.00 0.00 176.35 175.59 1i2v n ILE 4 N -4.05 0.00 0.00 6.68 -5.35 -1.15 -4.77 119.36 110.71 1i2v n ILE 4 Ca 0.08 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.56 1i2v n ILE 4 Cb 0.54 -0.22 0.00 0.00 -1.74 0.00 0.00 39.64 38.22 1i2v n ILE 4 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1i2v n GLY 5 N 1.97 -0.78 4.03 3.28 0.00 -1.24 -5.06 105.19 107.39 1i2v n GLY 5 Ca 0.00 -0.31 -0.20 0.00 0.00 0.00 0.00 46.02 45.51 1i2v n GLY 5 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1i2v s SER 6 N -4.00 5.09 -0.34 1.61 0.01 0.01 -0.78 113.70 115.29 1i2v s SER 6 Ca 0.00 -0.79 0.15 0.00 1.31 0.00 0.00 55.95 56.63 1i2v s SER 6 Cb 0.00 0.22 0.44 0.00 0.21 0.00 0.00 66.02 66.89 1i2v s SER 6 CO 0.00 -1.34 1.09 0.00 0.41 0.00 0.00 173.24 173.39 1i2v s VAL 8 N -2.11 -0.13 -1.35 0.00 1.01 -1.26 -4.52 120.40 112.03 1i2v s VAL 8 Ca 0.25 0.22 -0.10 0.00 0.00 0.00 0.00 61.98 62.35 1i2v s VAL 8 Cb 0.44 -0.32 -0.07 0.00 0.00 0.00 0.00 36.38 36.43 1i2v s VAL 8 CO -0.00 0.09 2.57 1.87 0.00 0.00 0.00 175.10 179.63 1i2v n TRP 9 N 4.57 2.20 0.00 5.22 -0.00 -1.26 -2.91 117.44 125.26 1i2v n TRP 9 Ca -0.20 -2.68 0.00 0.00 -0.00 0.00 0.00 57.50 54.63 1i2v n TRP 9 Cb 0.51 -2.22 0.00 0.00 -0.00 0.00 0.00 31.31 29.61 1i2v n TRP 9 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1i2v n GLY 10 N 3.74 0.00 3.63 5.87 0.00 -1.26 -5.17 105.19 112.01 1i2v n GLY 10 Ca 0.64 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.55 1i2v n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i2v s ALA 11 N 0.00 -0.02 0.83 4.61 0.00 -1.15 -5.14 121.76 120.89 1i2v s ALA 11 Ca 0.00 -1.09 -0.12 0.00 0.00 0.00 0.00 51.96 50.75 1i2v s ALA 11 Cb 0.00 0.96 0.10 0.00 0.00 0.00 0.00 23.12 24.18 1i2v s ALA 11 CO 0.00 -0.88 1.19 0.08 0.00 0.00 0.00 175.76 176.15 1i2v s VAL 12 N -3.02 2.02 -0.22 0.00 1.01 -1.26 -3.67 120.40 115.26 1i2v s VAL 12 Ca 0.23 -0.02 -0.00 0.00 0.00 0.00 0.00 61.98 62.19 1i2v s VAL 12 Cb -0.02 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.36 1i2v s VAL 12 CO 0.15 0.00 0.01 0.59 0.00 0.00 0.00 175.10 175.84 1i2v n ASN 13 N -3.37 -1.56 -4.62 3.32 4.13 -1.26 -4.33 115.26 107.58 1i2v n ASN 13 Ca 0.09 0.43 -0.46 0.00 1.68 0.00 0.00 54.58 56.32 1i2v n ASN 13 Cb 0.61 -1.45 -0.03 0.00 -1.54 0.00 0.00 39.78 37.37 1i2v n ASN 13 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1i2v n TYR 14 N -2.68 1.67 -4.57 3.10 4.19 -1.24 -0.80 117.16 116.82 1i2v n TYR 14 Ca -0.03 0.58 -0.26 0.00 3.31 0.00 0.00 57.90 61.51 1i2v n TYR 14 Cb 0.52 -2.35 -0.06 0.00 0.49 0.00 0.00 39.34 37.94 1i2v n TYR 14 CO 0.00 0.00 0.00 -2.37 0.91 0.00 0.00 176.86 175.40 1i2v n THR 15 N 1.40 0.00 0.10 2.97 5.66 -1.14 -4.80 114.28 118.46 1i2v n THR 15 Ca 0.12 -2.03 0.00 0.00 -3.05 0.00 0.00 64.05 59.09 1i2v n THR 15 Cb 0.29 0.52 0.00 0.00 -1.55 0.00 0.00 70.33 69.59 1i2v n THR 15 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1i2v n SER 16 N -1.38 -0.52 -3.96 1.09 2.88 -1.26 -4.71 113.62 105.77 1i2v n SER 16 Ca -0.13 0.35 -0.42 0.00 -1.33 0.00 0.00 58.87 57.34 1i2v n SER 16 Cb 0.54 0.64 0.00 0.00 -0.75 0.00 0.00 64.21 64.64 1i2v n SER 16 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1i2v n ASP 17 N -3.10 6.21 0.00 -3.46 5.75 -1.26 -4.90 116.55 115.79 1i2v n ASP 17 Ca 0.00 -3.42 0.00 0.00 -0.01 0.00 0.00 54.79 51.36 1i2v n ASP 17 Cb 0.00 -1.22 0.00 0.00 -1.03 0.00 0.00 41.12 38.87 1i2v n ASP 17 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1i2v h ASN 19 N 0.00 0.10 0.52 0.00 -1.24 -1.91 0.28 115.58 113.33 1i2v h ASN 19 Ca 0.00 0.07 -0.03 0.00 0.71 0.00 0.00 56.30 57.05 1i2v h ASN 19 Cb 0.00 0.06 0.01 0.00 0.73 0.00 0.00 38.32 39.12 1i2v h ASN 19 CO 0.00 -0.10 -0.25 1.23 -1.29 0.00 0.00 177.43 177.02 1i2v h GLY 20 N 0.02 -0.73 1.67 1.57 0.00 0.69 0.38 103.07 106.68 1i2v h GLY 20 Ca 0.88 0.27 0.05 0.00 0.00 0.00 0.00 47.33 48.53 1i2v h GLY 20 CO -0.20 -0.27 0.12 -2.09 0.00 0.00 0.00 176.54 174.10 1i2v h GLU 21 N -1.13 0.00 0.05 4.80 4.81 0.30 0.26 114.58 123.68 1i2v h GLU 21 Ca -0.07 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 58.94 1i2v h GLU 21 Cb 0.54 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.94 1i2v h GLU 21 CO 0.12 0.00 -0.88 0.00 -0.73 0.00 0.00 179.01 177.52 1i2v h LEU 23 N 0.04 0.01 -1.44 0.00 3.38 0.13 -0.21 115.31 117.22 1i2v h LEU 23 Ca -0.12 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 1i2v h LEU 23 Cb 1.59 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.32 1i2v h LEU 23 CO 0.17 0.19 0.06 -0.07 0.09 0.00 0.00 178.44 178.88 1i2v h LEU 24 N 0.01 0.39 -0.50 1.67 3.38 -0.46 -0.44 115.31 119.37 1i2v h LEU 24 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1i2v h LEU 24 Cb 0.33 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1i2v h LEU 24 CO 0.02 0.41 -0.08 0.54 0.09 0.00 0.00 178.44 179.43 1i2v n ARG 25 N -4.36 1.12 -0.87 1.13 1.74 -0.39 -4.89 116.66 110.14 1i2v n ARG 25 Ca 0.01 -0.50 0.00 0.00 -0.77 0.00 0.00 57.85 56.59 1i2v n ARG 25 Cb 0.18 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 1i2v n ARG 25 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1i2v n GLY 26 N 1.20 0.52 3.80 -0.13 0.00 -0.17 -5.02 105.19 105.39 1i2v n GLY 26 Ca 0.17 -0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 1i2v n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1i2v s TYR 27 N -2.00 3.23 0.30 1.61 2.02 -0.23 -4.92 117.35 117.36 1i2v s TYR 27 Ca 0.00 1.62 0.05 0.00 -0.37 0.00 0.00 57.07 58.37 1i2v s TYR 27 Cb 0.00 -2.97 0.76 0.00 -0.40 0.00 0.00 41.96 39.36 1i2v s TYR 27 CO 0.00 -0.39 1.70 0.87 -1.57 0.00 0.00 175.55 176.16 1i2v h LYS 28 N 1.99 0.41 0.00 -0.62 6.56 -1.86 -3.37 116.57 119.69 1i2v h LYS 28 Ca -0.49 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.08 1i2v h LYS 28 Cb 1.20 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 32.77 1i2v h LYS 28 CO 0.61 0.27 0.00 0.41 -2.06 0.00 0.00 179.45 178.68 1i2v n GLY 29 N -1.33 -1.17 3.47 3.86 0.00 -1.26 -4.94 105.19 103.82 1i2v n GLY 29 Ca 0.23 -0.81 -0.10 0.00 0.00 0.00 0.00 46.02 45.33 1i2v n GLY 29 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1i2v s GLY 30 N 0.00 -0.54 0.24 -0.02 0.00 -1.26 0.20 107.32 105.94 1i2v s GLY 30 Ca 0.00 0.61 -0.18 0.00 0.00 0.00 0.00 44.72 45.15 1i2v s GLY 30 CO 0.00 0.20 0.59 -2.38 0.00 0.00 0.00 173.10 171.51 1i2v s HIS 31 N -3.55 -0.02 0.35 1.90 -3.43 0.14 -3.79 115.29 106.90 1i2v s HIS 31 Ca 0.03 -0.37 -0.14 0.00 -0.80 0.00 0.00 55.06 53.78 1i2v s HIS 31 Cb -0.01 0.46 -0.08 0.00 -1.43 0.00 0.00 32.58 31.51 1i2v s HIS 31 CO -0.10 -1.06 0.76 0.00 -2.00 0.00 0.00 174.74 172.34 1i2v n GLY 33 N -0.64 -0.71 2.01 0.00 0.00 -0.38 -4.72 105.19 100.75 1i2v n GLY 33 Ca 0.03 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1i2v n GLY 33 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1i2v n SER 34 N -0.40 -0.17 -2.74 1.61 2.88 -1.26 -5.01 113.62 108.53 1i2v n SER 34 Ca 0.00 0.08 -0.03 0.00 -1.33 0.00 0.00 58.87 57.59 1i2v n SER 34 Cb 0.00 0.29 0.02 0.00 -0.75 0.00 0.00 64.21 63.77 1i2v n SER 34 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 1i2v s PHE 35 N -2.00 -0.84 0.00 0.66 2.19 -1.26 -4.94 117.98 111.79 1i2v s PHE 35 Ca 0.00 -0.23 0.00 0.00 0.33 0.00 0.00 56.93 57.03 1i2v s PHE 35 Cb 0.00 0.16 0.00 0.00 -1.31 0.00 0.00 43.02 41.87 1i2v s PHE 35 CO 0.00 -0.65 0.00 0.00 1.83 0.00 0.00 175.22 176.40 1i2v n ALA 36 N 2.89 0.00 0.16 11.12 0.00 -1.26 -4.95 120.51 128.48 1i2v n ALA 36 Ca 0.13 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.62 1i2v n ALA 36 Cb 0.61 -0.44 0.50 0.00 0.00 0.00 0.00 19.45 20.13 1i2v n ALA 36 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1i2v h ASN 37 N 0.00 0.15 0.00 0.00 -1.24 -1.92 -3.46 115.58 109.12 1i2v h ASN 37 Ca 0.00 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 56.99 1i2v h ASN 37 Cb 0.87 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.89 1i2v h ASN 37 CO 0.00 0.21 0.00 0.55 -1.29 0.00 0.00 177.43 176.90 1i2v n VAL 38 N -4.41 0.00 -3.77 2.57 3.14 -1.26 -5.00 118.33 109.60 1i2v n VAL 38 Ca -0.01 0.00 -0.13 0.00 -2.96 0.00 0.00 64.34 61.23 1i2v n VAL 38 Cb 0.17 0.00 -0.14 0.00 -1.06 0.00 0.00 33.84 32.80 1i2v n VAL 38 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 1i2v s ASN 39 N -2.25 -0.09 -0.09 6.55 -0.87 -1.26 -3.52 114.94 113.41 1i2v s ASN 39 Ca 0.00 0.26 -0.01 0.00 -1.57 0.00 0.00 52.86 51.54 1i2v s ASN 39 Cb 0.00 0.17 -0.03 0.00 -0.02 0.00 0.00 41.25 41.37 1i2v s ASN 39 CO 0.00 -0.12 -0.05 0.00 -2.57 0.00 0.00 177.10 174.36 1i2v s TRP 41 N -0.56 1.80 0.56 0.00 0.52 -0.39 -2.95 118.94 117.92 1i2v s TRP 41 Ca 0.09 -0.50 -0.08 0.00 0.02 0.00 0.00 56.10 55.63 1i2v s TRP 41 Cb -0.12 -0.86 -0.02 0.00 -1.15 0.00 0.00 33.47 31.31 1i2v s TRP 41 CO 0.02 0.37 0.90 0.00 0.02 0.00 0.00 176.95 178.26 1i2v n GLU 43 N -2.53 4.67 0.00 0.00 1.02 0.13 -4.21 120.64 119.73 1i2v n GLU 43 Ca 0.03 -4.31 0.12 0.00 -0.02 0.00 0.00 57.16 52.99 1i2v n GLU 43 Cb 0.55 -2.42 0.15 0.00 -0.02 0.00 0.00 31.44 29.71 1i2v n GLU 43 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94