#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nd3 s ALA 2 N 0.00 -0.49 -0.43 4.61 0.00 -1.26 -2.50 121.76 121.69 1nd3 s ALA 2 Ca 0.00 -0.18 -0.22 0.00 0.00 0.00 0.00 51.96 51.56 1nd3 s ALA 2 Cb 0.00 0.31 0.02 0.00 0.00 0.00 0.00 23.12 23.45 1nd3 s ALA 2 CO 0.00 -0.39 0.73 -1.14 0.00 0.00 0.00 175.76 174.95 1nd3 s GLN 3 N -2.64 3.44 -0.16 0.00 0.74 -1.16 -4.87 119.66 115.01 1nd3 s GLN 3 Ca -0.04 -0.12 -0.15 0.00 0.05 0.00 0.00 55.36 55.10 1nd3 s GLN 3 Cb -0.01 -3.91 -0.04 0.00 1.10 0.00 0.00 33.01 30.15 1nd3 s GLN 3 CO -0.04 -1.01 0.33 0.08 -0.55 0.00 0.00 175.29 174.09 1nd3 s VAL 4 N 3.06 5.28 0.24 1.34 1.01 -1.26 -2.42 120.40 127.66 1nd3 s VAL 4 Ca 0.27 0.62 0.11 0.00 0.00 0.00 0.00 61.98 62.98 1nd3 s VAL 4 Cb -0.13 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 1nd3 s VAL 4 CO 0.20 0.37 -0.21 -0.44 0.00 0.00 0.00 175.10 175.01 1nd3 s SER 5 N 0.56 3.46 -0.02 3.32 0.01 -1.25 -4.94 113.70 114.85 1nd3 s SER 5 Ca 0.18 -0.96 -0.06 0.00 1.31 0.00 0.00 55.95 56.42 1nd3 s SER 5 Cb -0.13 -0.27 0.01 0.00 0.21 0.00 0.00 66.02 65.83 1nd3 s SER 5 CO 0.05 0.06 0.13 -0.13 0.41 0.00 0.00 173.24 173.76 1nd3 s ARG 6 N -3.17 0.31 0.00 12.44 0.52 -1.26 -2.66 118.95 125.12 1nd3 s ARG 6 Ca 0.26 -0.11 0.00 0.00 -0.52 0.00 0.00 55.73 55.36 1nd3 s ARG 6 Cb -0.06 0.13 0.00 0.00 0.52 0.00 0.00 34.95 35.54 1nd3 s ARG 6 CO 0.12 -0.06 0.00 0.94 0.02 0.00 0.00 175.30 176.32 1nd3 n GLN 7 N 2.27 0.00 -4.50 3.54 7.27 -1.26 -4.92 117.38 119.78 1nd3 n GLN 7 Ca -0.17 0.00 -0.34 0.00 0.07 0.00 0.00 57.00 56.56 1nd3 n GLN 7 Cb 0.57 0.00 -0.12 0.00 2.41 0.00 0.00 30.24 33.10 1nd3 n GLN 7 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1nd3 s SER 23 N 0.00 4.66 -0.34 1.69 0.15 -1.26 -5.08 113.70 113.52 1nd3 s SER 23 Ca 0.00 -0.14 -0.01 0.00 0.70 0.00 0.00 55.95 56.50 1nd3 s SER 23 Cb 0.00 -1.66 0.12 0.00 -1.71 0.00 0.00 66.02 62.78 1nd3 s SER 23 CO 0.00 0.20 0.18 -0.51 1.20 0.00 0.00 173.24 174.31 1nd3 s ILE 24 N 0.15 0.24 0.14 6.45 2.07 -1.26 -5.13 121.20 123.87 1nd3 s ILE 24 Ca -0.02 -1.48 -0.30 0.00 -1.41 0.00 0.00 60.65 57.44 1nd3 s ILE 24 Cb -0.14 -1.19 -0.07 0.00 0.13 0.00 0.00 42.46 41.19 1nd3 s ILE 24 CO 0.03 -0.88 0.94 0.20 -1.91 0.00 0.00 174.94 173.32 1nd3 s ASN 25 N 1.35 7.52 -0.73 4.50 0.01 -1.25 -4.50 114.94 121.85 1nd3 s ASN 25 Ca 0.15 1.81 -0.04 0.00 -0.71 0.00 0.00 52.86 54.07 1nd3 s ASN 25 Cb -0.21 -2.59 0.19 0.00 0.41 0.00 0.00 41.25 39.05 1nd3 s ASN 25 CO -0.12 0.01 0.59 -0.47 -1.51 0.00 0.00 177.10 175.59 1nd3 s TYR 26 N -0.35 3.59 -0.72 2.20 5.04 -1.09 -4.90 117.35 121.11 1nd3 s TYR 26 Ca 0.45 -2.73 -0.26 0.00 -2.44 0.00 0.00 57.07 52.09 1nd3 s TYR 26 Cb -0.24 -3.29 -0.00 0.00 0.35 0.00 0.00 41.96 38.78 1nd3 s TYR 26 CO 0.30 -0.83 1.65 -0.06 -1.34 0.00 0.00 175.55 175.27 1nd3 s PHE 27 N -0.44 1.95 -1.14 4.97 2.99 -1.26 -3.75 117.98 121.29 1nd3 s PHE 27 Ca 0.20 0.36 -0.11 0.00 0.00 0.00 0.00 56.93 57.38 1nd3 s PHE 27 Cb -0.15 -4.31 0.23 0.00 0.00 0.00 0.00 43.02 38.78 1nd3 s PHE 27 CO -0.07 -2.13 1.25 1.21 -0.00 0.00 0.00 175.22 175.48 1nd3 s ASN 28 N 6.42 7.19 0.42 1.36 3.04 -1.01 -4.96 114.94 127.39 1nd3 s ASN 28 Ca 0.55 -3.28 -0.23 0.00 0.04 0.00 0.00 52.86 49.94 1nd3 s ASN 28 Cb -0.09 -2.30 -0.09 0.00 -1.54 0.00 0.00 41.25 37.23 1nd3 s ASN 28 CO 0.13 -0.51 1.06 -0.63 -3.04 0.00 0.00 177.10 174.11 1nd3 s ILE 29 N 0.09 3.67 -0.32 -5.21 -1.09 -1.26 -2.97 121.20 114.10 1nd3 s ILE 29 Ca 0.36 1.24 0.01 0.00 -2.23 0.00 0.00 60.65 60.02 1nd3 s ILE 29 Cb -0.07 -3.62 0.10 0.00 -1.58 0.00 0.00 42.46 37.30 1nd3 s ILE 29 CO -0.05 -0.03 0.09 0.21 -1.23 0.00 0.00 174.94 173.93 1nd3 s ASN 30 N -1.61 4.24 0.52 3.58 2.47 -1.04 -5.00 114.94 118.10 1nd3 s ASN 30 Ca 0.60 -1.83 0.32 0.00 0.42 0.00 0.00 52.86 52.37 1nd3 s ASN 30 Cb -0.22 -1.10 1.26 0.00 -1.45 0.00 0.00 41.25 39.75 1nd3 s ASN 30 CO 0.27 -0.40 1.94 1.88 -3.72 0.00 0.00 177.10 177.07 1nd3 h TYR 31 N 7.90 0.00 -1.96 0.43 -1.99 -1.96 -3.24 116.97 116.15 1nd3 h TYR 31 Ca -0.10 0.00 -0.60 0.00 2.00 0.00 0.00 58.73 60.03 1nd3 h TYR 31 Cb 1.01 0.00 -0.12 0.00 2.00 0.00 0.00 36.73 39.63 1nd3 h TYR 31 CO 0.39 0.00 -0.65 -0.06 -0.00 0.00 0.00 178.16 177.85 1nd3 s PHE 32 N -3.60 2.49 -1.76 4.88 0.08 -1.26 -4.91 117.98 113.90 1nd3 s PHE 32 Ca 0.02 -0.44 0.06 0.00 0.12 0.00 0.00 56.93 56.69 1nd3 s PHE 32 Cb 0.09 -1.41 0.19 0.00 -0.57 0.00 0.00 43.02 41.32 1nd3 s PHE 32 CO 0.54 0.53 1.09 1.63 -0.10 0.00 0.00 175.22 178.91 1nd3 n LYS 33 N -0.88 1.59 -4.61 0.44 5.02 -1.26 -4.85 118.16 113.60 1nd3 n LYS 33 Ca -0.05 -0.75 -0.24 0.00 -2.02 0.00 0.00 58.31 55.25 1nd3 n LYS 33 Cb 0.62 -1.27 -0.14 0.00 -0.02 0.00 0.00 35.03 34.23 1nd3 n LYS 33 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1nd3 s ASP 34 N -0.84 2.29 0.35 4.39 1.11 -1.26 -5.03 116.67 117.68 1nd3 s ASP 34 Ca 0.14 -0.49 0.07 0.00 0.18 0.00 0.00 52.55 52.44 1nd3 s ASP 34 Cb 0.08 -0.19 0.65 0.00 1.07 0.00 0.00 42.92 44.53 1nd3 s ASP 34 CO 0.08 0.14 1.86 0.00 1.18 0.00 0.00 175.17 178.43 1nd3 h ALA 35 N 4.95 1.38 0.00 5.23 0.00 -2.00 -2.42 119.26 126.39 1nd3 h ALA 35 Ca -0.41 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.24 1nd3 h ALA 35 Cb 1.16 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1nd3 h ALA 35 CO 0.44 0.43 -0.04 0.00 0.00 0.00 0.00 179.25 180.08 1nd3 h ALA 36 N 1.54 1.17 0.00 0.00 0.00 -1.99 -2.91 119.26 117.07 1nd3 h ALA 36 Ca 0.06 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1nd3 h ALA 36 Cb 0.45 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1nd3 h ALA 36 CO 0.03 0.05 -0.42 0.77 0.00 0.00 0.00 179.25 179.68 1nd3 h SER 37 N 0.00 0.00 -4.19 0.00 0.02 -1.82 -3.46 113.55 104.10 1nd3 h SER 37 Ca -0.00 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.46 1nd3 h SER 37 Cb 0.22 0.00 0.13 0.00 0.14 0.00 0.00 62.40 62.89 1nd3 h SER 37 CO 0.01 0.42 0.29 -0.94 -1.14 0.00 0.00 176.83 175.47 1nd3 s SER 38 N -6.57 4.05 1.01 3.07 1.04 -1.10 -4.98 113.70 110.21 1nd3 s SER 38 Ca -0.01 1.54 -0.01 0.00 0.48 0.00 0.00 55.95 57.95 1nd3 s SER 38 Cb 0.12 -2.25 0.02 0.00 0.10 0.00 0.00 66.02 64.01 1nd3 s SER 38 CO 0.70 -2.28 0.07 0.61 0.98 0.00 0.00 173.24 173.32 1nd3 n GLY 39 N -1.40 -1.91 3.51 7.32 0.00 -1.26 -4.97 105.19 106.47 1nd3 n GLY 39 Ca 0.08 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 44.14 1nd3 n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nd3 n ALA 40 N -3.08 -0.96 -1.63 4.61 0.00 -1.26 -4.96 120.51 113.23 1nd3 n ALA 40 Ca -0.01 0.18 -0.31 0.00 0.00 0.00 0.00 53.44 53.31 1nd3 n ALA 40 Cb 0.03 -1.88 0.06 0.00 0.00 0.00 0.00 19.45 17.67 1nd3 n ALA 40 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1nd3 s SER 41 N -0.90 5.19 0.59 0.00 0.01 -1.26 -5.05 113.70 112.28 1nd3 s SER 41 Ca 0.64 1.45 -0.14 0.00 1.31 0.00 0.00 55.95 59.20 1nd3 s SER 41 Cb -0.59 -2.29 -0.04 0.00 0.21 0.00 0.00 66.02 63.30 1nd3 s SER 41 CO 0.57 -1.54 1.03 -0.13 0.41 0.00 0.00 173.24 173.58 1nd3 s ARG 42 N -5.12 3.52 0.62 12.44 0.52 -1.26 -5.06 118.95 124.60 1nd3 s ARG 42 Ca 0.59 1.00 0.02 0.00 -0.52 0.00 0.00 55.73 56.81 1nd3 s ARG 42 Cb -0.14 -2.07 0.08 0.00 0.52 0.00 0.00 34.95 33.35 1nd3 s ARG 42 CO 0.54 -0.64 0.86 -0.51 0.02 0.00 0.00 175.30 175.58 1nd3 s LEU 43 N -4.65 3.14 0.00 2.53 1.43 -1.26 -5.32 118.68 114.56 1nd3 s LEU 43 Ca 0.60 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 53.40 1nd3 s LEU 43 Cb -0.13 -2.30 0.00 0.00 0.03 0.00 0.00 46.19 43.79 1nd3 s LEU 43 CO 0.41 -1.47 0.00 -0.67 0.23 0.00 0.00 176.35 174.85