#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 2.95 0.33 -1.24 2.36 -1.25 -4.94 119.74 117.95 1i2v s LYS 2 Ca 0.00 -0.99 0.06 0.00 -2.55 0.00 0.00 55.97 52.49 1i2v s LYS 2 Cb 0.00 -2.60 -0.01 0.00 -1.05 0.00 0.00 37.83 34.17 1i2v s LYS 2 CO 0.00 0.42 0.47 -1.17 1.55 0.00 0.00 175.35 176.63 1i2v s LEU 3 N -3.68 3.99 0.00 5.43 0.20 -1.26 0.32 118.68 123.67 1i2v s LEU 3 Ca 0.32 -0.11 0.00 0.00 0.69 0.00 0.00 54.13 55.03 1i2v s LEU 3 Cb -0.08 -2.80 0.00 0.00 -0.43 0.00 0.00 46.19 42.87 1i2v s LEU 3 CO 0.25 -0.41 0.00 -0.38 -0.29 0.00 0.00 176.35 175.52 1i2v n ILE 4 N -1.65 0.00 0.00 6.68 5.41 -0.80 -4.53 119.36 124.47 1i2v n ILE 4 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.74 1i2v n ILE 4 Cb 0.58 -0.46 0.00 0.00 -0.71 0.00 0.00 39.64 39.05 1i2v n ILE 4 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1i2v n GLY 5 N 2.17 -0.53 3.95 7.39 0.00 -1.22 -4.99 105.19 111.97 1i2v n GLY 5 Ca 0.00 -0.63 -0.23 0.00 0.00 0.00 0.00 46.02 45.16 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 6.27 -0.01 1.61 0.01 -0.48 -1.00 113.70 116.09 1i2v s SER 6 Ca 0.00 0.31 0.19 0.00 1.31 0.00 0.00 55.95 57.75 1i2v s SER 6 Cb 0.00 -1.93 0.32 0.00 0.21 0.00 0.00 66.02 64.62 1i2v s SER 6 CO 0.00 -0.26 1.13 0.00 0.41 0.00 0.00 173.24 174.52 1i2v s VAL 8 N -0.20 5.14 -1.50 0.00 1.01 -1.15 -4.06 120.40 119.64 1i2v s VAL 8 Ca 0.26 0.81 -0.12 0.00 0.00 0.00 0.00 61.98 62.93 1i2v s VAL 8 Cb 0.29 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 1i2v s VAL 8 CO -0.12 0.47 2.62 0.79 0.00 0.00 0.00 175.10 178.86 1i2v n TRP 9 N 2.72 2.73 0.00 5.22 8.01 -1.26 -3.45 117.44 131.41 1i2v n TRP 9 Ca -0.12 -2.94 0.00 0.00 -1.31 0.00 0.00 57.50 53.13 1i2v n TRP 9 Cb 0.52 -2.44 0.00 0.00 -2.01 0.00 0.00 31.31 27.38 1i2v n TRP 9 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1i2v n GLY 10 N 3.81 -0.22 3.68 6.99 0.00 -1.26 -5.18 105.19 113.01 1i2v n GLY 10 Ca 0.66 -0.18 -0.11 0.00 0.00 0.00 0.00 46.02 46.39 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 -0.19 0.73 4.61 0.00 -1.22 -5.14 121.76 120.54 1i2v s ALA 11 Ca 0.00 -1.01 -0.09 0.00 0.00 0.00 0.00 51.96 50.86 1i2v s ALA 11 Cb 0.00 0.88 0.05 0.00 0.00 0.00 0.00 23.12 24.06 1i2v s ALA 11 CO 0.00 -0.91 1.08 0.08 0.00 0.00 0.00 175.76 176.01 1i2v s VAL 12 N -2.77 2.56 -0.46 0.00 1.01 -1.26 -3.67 120.40 115.81 1i2v s VAL 12 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.19 1i2v s VAL 12 Cb -0.03 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.21 1i2v s VAL 12 CO 0.14 -0.17 0.00 0.59 0.00 0.00 0.00 175.10 175.66 1i2v n ASN 13 N -3.05 -2.00 -4.75 3.32 4.13 -1.26 -4.43 115.26 107.23 1i2v n ASN 13 Ca 0.07 0.32 -0.42 0.00 1.68 0.00 0.00 54.58 56.24 1i2v n ASN 13 Cb 0.60 -1.86 -0.02 0.00 -1.54 0.00 0.00 39.78 36.96 1i2v n ASN 13 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1i2v s TYR 14 N -2.06 2.78 0.38 3.10 5.04 -1.24 -1.38 117.35 123.97 1i2v s TYR 14 Ca 0.00 0.73 0.08 0.00 -2.44 0.00 0.00 57.07 55.44 1i2v s TYR 14 Cb 0.00 -4.07 -0.04 0.00 0.35 0.00 0.00 41.96 38.20 1i2v s TYR 14 CO 0.00 -3.65 0.23 0.99 -1.34 0.00 0.00 175.55 171.78 1i2v s THR 15 N 0.17 2.74 0.00 4.34 2.01 -0.43 -4.87 115.64 119.60 1i2v s THR 15 Ca 0.65 -1.58 0.00 0.00 0.31 0.00 0.00 61.69 61.07 1i2v s THR 15 Cb -0.48 -3.01 0.00 0.00 0.01 0.00 0.00 72.50 69.03 1i2v s THR 15 CO 0.45 -0.08 0.00 -1.20 -0.69 0.00 0.00 174.62 173.11 1i2v n SER 16 N -1.30 0.00 -3.73 3.53 7.64 -1.26 -4.82 113.62 113.68 1i2v n SER 16 Ca -0.01 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.50 1i2v n SER 16 Cb 0.62 0.04 -0.01 0.00 -1.01 0.00 0.00 64.21 63.85 1i2v n SER 16 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1i2v n ASP 17 N -2.24 5.79 0.04 6.43 5.75 -1.26 -4.89 116.55 126.16 1i2v n ASP 17 Ca 0.00 -3.49 -0.09 0.00 -0.01 0.00 0.00 54.79 51.20 1i2v n ASP 17 Cb 0.00 -1.06 -0.06 0.00 -1.03 0.00 0.00 41.12 38.97 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 -0.40 0.16 0.35 0.00 -0.00 -1.90 0.39 115.58 114.18 1i2v h ASN 19 Ca 0.01 0.06 -0.02 0.00 -0.00 0.00 0.00 56.30 56.35 1i2v h ASN 19 Cb 0.42 0.04 0.00 0.00 -0.00 0.00 0.00 38.32 38.79 1i2v h ASN 19 CO -0.21 -0.04 -0.17 1.23 -0.00 0.00 0.00 177.43 178.24 1i2v h GLY 20 N 0.10 -0.49 1.74 1.57 0.00 -0.69 0.29 103.07 105.58 1i2v h GLY 20 Ca 0.73 0.18 0.03 0.00 0.00 0.00 0.00 47.33 48.28 1i2v h GLY 20 CO -0.19 -0.18 0.11 -2.09 0.00 0.00 0.00 176.54 174.18 1i2v h GLU 21 N -0.89 0.07 0.12 4.80 4.81 0.35 0.31 114.58 124.16 1i2v h GLU 21 Ca -0.05 -0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.91 1i2v h GLU 21 Cb 0.53 -0.02 0.03 0.00 0.63 0.00 0.00 28.75 29.92 1i2v h GLU 21 CO 0.08 0.05 -1.14 0.00 -0.73 0.00 0.00 179.01 177.27 1i2v h LEU 23 N 0.13 0.16 -1.50 0.00 3.38 0.73 0.51 115.31 118.71 1i2v h LEU 23 Ca -0.18 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 1i2v h LEU 23 Cb 1.84 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.54 1i2v h LEU 23 CO 0.22 0.28 -0.20 -0.07 0.09 0.00 0.00 178.44 178.76 1i2v h LEU 24 N 0.17 0.07 -1.36 1.67 3.38 -0.35 -0.79 115.31 118.09 1i2v h LEU 24 Ca 0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1i2v h LEU 24 Cb 0.28 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1i2v h LEU 24 CO 0.02 0.27 0.00 0.54 0.09 0.00 0.00 178.44 179.36 1i2v n ARG 25 N -4.27 1.91 -1.36 1.13 3.00 -0.32 -4.91 116.66 111.85 1i2v n ARG 25 Ca -0.02 -1.35 -0.11 0.00 -0.01 0.00 0.00 57.85 56.36 1i2v n ARG 25 Cb 0.28 -1.45 -0.05 0.00 0.00 0.00 0.00 32.46 31.24 1i2v n ARG 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1i2v n GLY 26 N 1.23 1.19 3.83 -0.13 0.00 -0.30 -4.99 105.19 106.02 1i2v n GLY 26 Ca 0.17 -0.51 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.42 2.12 0.21 1.61 2.02 0.02 -4.96 117.35 115.95 1i2v s TYR 27 Ca 0.00 0.63 -0.01 0.00 -0.37 0.00 0.00 57.07 57.32 1i2v s TYR 27 Cb 0.00 -3.63 0.17 0.00 -0.40 0.00 0.00 41.96 38.10 1i2v s TYR 27 CO 0.00 -2.48 1.54 0.87 -1.57 0.00 0.00 175.55 173.91 1i2v h LYS 28 N -1.56 0.47 0.00 -0.62 6.56 -1.85 -3.41 116.57 116.17 1i2v h LYS 28 Ca -0.47 -0.29 0.00 0.00 -1.06 0.00 0.00 60.65 58.83 1i2v h LYS 28 Cb 1.30 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.99 1i2v h LYS 28 CO 0.53 0.89 0.00 0.41 -2.06 0.00 0.00 179.45 179.22 1i2v n GLY 29 N 0.20 -2.15 3.36 3.86 0.00 -1.26 -4.96 105.19 104.25 1i2v n GLY 29 Ca -0.03 -1.21 -0.11 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.42 0.13 -0.02 0.00 -1.26 0.11 107.32 105.86 1i2v s GLY 30 Ca 0.00 0.23 -0.25 0.00 0.00 0.00 0.00 44.72 44.70 1i2v s GLY 30 CO 0.00 -0.06 0.77 -2.38 0.00 0.00 0.00 173.10 171.43 1i2v s HIS 31 N -3.61 -0.36 0.48 1.90 -3.43 0.43 -3.75 115.29 106.95 1i2v s HIS 31 Ca 0.01 0.12 -0.19 0.00 -0.80 0.00 0.00 55.06 54.20 1i2v s HIS 31 Cb 0.00 0.59 -0.09 0.00 -1.43 0.00 0.00 32.58 31.65 1i2v s HIS 31 CO -0.11 -0.81 0.99 0.00 -2.00 0.00 0.00 174.74 172.81 1i2v n GLY 33 N -0.79 0.00 0.35 0.00 0.00 -0.66 -4.87 105.19 99.22 1i2v n GLY 33 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1i2v n GLY 33 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1i2v n SER 34 N 0.00 -0.01 -1.79 1.61 7.64 -1.26 -4.96 113.62 114.85 1i2v n SER 34 Ca 0.00 0.01 -0.19 0.00 1.01 0.00 0.00 58.87 59.70 1i2v n SER 34 Cb 0.00 0.10 0.06 0.00 -1.01 0.00 0.00 64.21 63.36 1i2v n SER 34 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1i2v n PHE 35 N -1.69 2.30 -2.68 1.43 -0.00 -1.26 -4.62 117.46 110.93 1i2v n PHE 35 Ca 0.00 -2.13 -0.05 0.00 -0.00 0.00 0.00 57.45 55.27 1i2v n PHE 35 Cb 0.00 -0.38 0.08 0.00 -0.00 0.00 0.00 39.48 39.18 1i2v n PHE 35 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1i2v n ALA 36 N -0.79 0.38 -1.35 3.13 0.00 -1.26 -5.08 120.51 115.53 1i2v n ALA 36 Ca 0.41 -0.98 -0.25 0.00 0.00 0.00 0.00 53.44 52.61 1i2v n ALA 36 Cb 0.91 -0.96 -0.18 0.00 0.00 0.00 0.00 19.45 19.22 1i2v n ALA 36 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1i2v n ASN 37 N -0.67 -0.83 0.00 0.00 4.05 -1.26 -4.24 115.26 112.31 1i2v n ASN 37 Ca -0.11 -0.29 0.00 0.00 0.45 0.00 0.00 54.58 54.63 1i2v n ASN 37 Cb 0.79 -0.59 0.00 0.00 1.23 0.00 0.00 39.78 41.21 1i2v n ASN 37 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 177.26 174.76 1i2v n VAL 38 N 5.53 0.00 -4.16 3.44 3.14 -1.26 -4.47 118.33 120.55 1i2v n VAL 38 Ca 0.61 0.00 -0.13 0.00 -2.96 0.00 0.00 64.34 61.86 1i2v n VAL 38 Cb 0.10 -0.15 -0.11 0.00 -1.06 0.00 0.00 33.84 32.62 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 -3.24 1.26 0.17 6.55 0.02 -1.26 0.11 114.94 118.55 1i2v s ASN 39 Ca 0.00 -0.85 0.07 0.00 -1.02 0.00 0.00 52.86 51.07 1i2v s ASN 39 Cb 0.00 0.04 -0.04 0.00 0.02 0.00 0.00 41.25 41.27 1i2v s ASN 39 CO 0.00 -0.33 -0.00 0.00 0.02 0.00 0.00 177.10 176.79 1i2v s TRP 41 N -1.71 0.42 0.55 0.00 0.52 -0.24 -1.91 118.94 116.57 1i2v s TRP 41 Ca 0.27 -0.88 -0.05 0.00 0.02 0.00 0.00 56.10 55.46 1i2v s TRP 41 Cb -0.09 -0.31 -0.00 0.00 -1.15 0.00 0.00 33.47 31.91 1i2v s TRP 41 CO 0.18 -0.33 0.84 0.00 0.02 0.00 0.00 176.95 177.67 1i2v n GLU 43 N -2.44 3.67 0.00 0.00 2.13 0.30 -3.84 120.64 120.46 1i2v n GLU 43 Ca 0.03 -3.67 0.14 0.00 0.66 0.00 0.00 57.16 54.31 1i2v n GLU 43 Cb 0.57 -2.34 0.43 0.00 0.27 0.00 0.00 31.44 30.36 1i2v n GLU 43 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35