#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pdc n TYR -3 N 0.00 0.00 -1.29 -0.67 4.19 -1.26 -4.27 117.16 113.86 1pdc n TYR -3 Ca 0.00 -0.02 0.00 0.00 3.31 0.00 0.00 57.90 61.20 1pdc n TYR -3 Cb 0.00 -0.00 0.01 0.00 0.49 0.00 0.00 39.34 39.84 1pdc n TYR -3 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1pdc n ALA -2 N -0.02 1.49 0.00 2.98 0.00 -1.26 -4.84 120.51 118.86 1pdc n ALA -2 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.62 1pdc n ALA -2 Cb 0.33 -0.20 0.00 0.00 0.00 0.00 0.00 19.45 19.58 1pdc n ALA -2 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1pdc n LYS -1 N -0.11 0.00 -3.30 0.00 4.81 -1.26 -5.04 118.16 113.27 1pdc n LYS -1 Ca 0.01 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.48 1pdc n LYS -1 Cb 0.56 -0.07 -0.03 0.00 0.02 0.00 0.00 35.03 35.51 1pdc n LYS -1 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1pdc n VAL 2 N 5.18 0.00 -0.62 0.00 3.14 -1.18 -4.22 118.33 120.63 1pdc n VAL 2 Ca -0.08 0.03 0.00 0.00 -2.96 0.00 0.00 64.34 61.34 1pdc n VAL 2 Cb 0.53 -0.75 0.00 0.00 -1.06 0.00 0.00 33.84 32.56 1pdc n VAL 2 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 1pdc n PHE 3 N -1.27 -1.70 -2.44 1.45 3.72 -1.26 -4.88 117.46 111.08 1pdc n PHE 3 Ca 0.00 0.91 -0.35 0.00 -0.05 0.00 0.00 57.45 57.95 1pdc n PHE 3 Cb 0.00 -1.96 -0.02 0.00 -0.94 0.00 0.00 39.48 36.55 1pdc n PHE 3 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1pdc s PRO 4 N -5.11 3.79 0.44 -1.08 0.04 -1.26 -5.12 135.00 126.70 1pdc s PRO 4 Ca 0.00 1.52 0.05 0.00 0.04 0.00 0.00 61.00 62.61 1pdc s PRO 4 Cb 0.00 -2.24 -0.05 0.00 0.04 0.00 0.00 34.50 32.25 1pdc s PRO 4 CO 0.00 -0.47 0.01 -0.59 0.04 0.00 0.00 177.00 175.99 1pdc s PHE 5 N -1.78 2.24 -0.59 0.56 -0.71 0.29 -4.85 117.98 113.14 1pdc s PHE 5 Ca 0.65 -0.80 0.04 0.00 -1.04 0.00 0.00 56.93 55.78 1pdc s PHE 5 Cb -0.21 -1.68 0.15 0.00 -1.21 0.00 0.00 43.02 40.06 1pdc s PHE 5 CO 0.26 0.33 0.36 0.42 -1.34 0.00 0.00 175.22 175.25 1pdc s ILE 6 N -2.81 2.82 -0.33 -4.49 1.01 -0.00 -0.63 121.20 116.76 1pdc s ILE 6 Ca 0.24 -3.59 -0.27 0.00 0.00 0.00 0.00 60.65 57.03 1pdc s ILE 6 Cb 0.07 -2.90 -0.05 0.00 0.01 0.00 0.00 42.46 39.58 1pdc s ILE 6 CO 0.12 -0.87 2.23 -0.47 0.00 0.00 0.00 174.94 175.95 1pdc s TYR 7 N -0.65 1.21 -0.49 3.97 5.04 -1.26 -1.03 117.35 124.15 1pdc s TYR 7 Ca 0.20 0.89 0.00 0.00 -2.44 0.00 0.00 57.07 55.72 1pdc s TYR 7 Cb -0.19 -3.84 0.00 0.00 0.35 0.00 0.00 41.96 38.28 1pdc s TYR 7 CO -0.05 -3.40 0.00 0.41 -1.34 0.00 0.00 175.55 171.17 1pdc n GLY 8 N 5.81 -0.41 1.56 8.97 0.00 -1.26 0.14 105.19 120.00 1pdc n GLY 8 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1pdc n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pdc n GLY 9 N -0.59 0.70 0.03 -0.02 0.00 -1.06 -4.81 105.19 99.43 1pdc n GLY 9 Ca -0.07 -0.72 0.01 0.00 0.00 0.00 0.00 46.02 45.25 1pdc n GLY 9 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1pdc n LYS 10 N -1.26 1.14 -0.90 1.61 4.81 0.38 -5.11 118.16 118.82 1pdc n LYS 10 Ca 0.00 -0.07 0.00 0.00 -0.87 0.00 0.00 58.31 57.37 1pdc n LYS 10 Cb 0.33 -1.30 0.00 0.00 0.02 0.00 0.00 35.03 34.09 1pdc n LYS 10 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1pdc n LYS 11 N -2.15 -2.28 -3.70 1.64 5.02 -1.26 -4.81 118.16 110.63 1pdc n LYS 11 Ca -0.10 1.71 -0.09 0.00 -2.02 0.00 0.00 58.31 57.82 1pdc n LYS 11 Cb 0.57 -1.79 -0.02 0.00 -0.02 0.00 0.00 35.03 33.77 1pdc n LYS 11 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1pdc s TYR 12 N -1.08 -0.32 0.00 2.13 2.02 0.19 -4.73 117.35 115.56 1pdc s TYR 12 Ca 0.00 -0.05 0.00 0.00 -0.37 0.00 0.00 57.07 56.65 1pdc s TYR 12 Cb 0.00 0.65 0.00 0.00 -0.40 0.00 0.00 41.96 42.21 1pdc s TYR 12 CO 0.00 -1.10 0.00 0.39 -1.57 0.00 0.00 175.55 173.27 1pdc n GLU 13 N -0.43 0.00 -0.09 -0.62 -0.58 -1.26 -0.55 120.64 117.10 1pdc n GLU 13 Ca -0.09 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.63 1pdc n GLU 13 Cb 0.61 0.00 0.02 0.00 -0.57 0.00 0.00 31.44 31.50 1pdc n GLU 13 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1pdc n THR 14 N -0.66 0.00 -0.30 2.62 -2.24 -1.26 -4.72 114.28 107.72 1pdc n THR 14 Ca 0.00 -0.05 -0.29 0.00 -2.27 0.00 0.00 64.05 61.44 1pdc n THR 14 Cb 0.00 -1.29 0.28 0.00 -2.10 0.00 0.00 70.33 67.22 1pdc n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pdc s THR 16 N -2.18 -0.37 0.29 0.00 -1.32 0.19 -4.83 115.64 107.44 1pdc s THR 16 Ca 0.66 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 61.18 1pdc s THR 16 Cb -0.15 -1.00 0.07 0.00 -1.51 0.00 0.00 72.50 69.91 1pdc s THR 16 CO 0.58 0.00 1.74 0.50 -2.21 0.00 0.00 174.62 175.23 1pdc h LYS 17 N 7.15 0.43 -6.98 7.08 3.64 -1.88 -2.42 116.57 123.59 1pdc h LYS 17 Ca -0.24 -0.16 -0.60 0.00 -1.27 0.00 0.00 60.65 58.39 1pdc h LYS 17 Cb 1.16 -0.03 -0.36 0.00 -0.41 0.00 0.00 32.23 32.60 1pdc h LYS 17 CO 0.14 0.65 -0.86 1.51 -2.27 0.00 0.00 179.45 178.62 1pdc n ILE 18 N -4.13 -0.06 -1.19 2.00 0.13 -1.26 0.21 119.36 115.07 1pdc n ILE 18 Ca -0.00 -0.03 0.00 0.00 -1.10 0.00 0.00 62.75 61.62 1pdc n ILE 18 Cb 0.40 -0.50 0.00 0.00 -0.84 0.00 0.00 39.64 38.69 1pdc n ILE 18 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1pdc n GLY 19 N -1.12 0.55 0.00 4.50 0.00 -1.26 -5.06 105.19 102.80 1pdc n GLY 19 Ca 0.09 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1pdc n GLY 19 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1pdc n SER 20 N 1.66 0.00 -3.79 1.61 2.88 0.58 -5.04 113.62 111.52 1pdc n SER 20 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 1pdc n SER 20 Cb 0.18 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.48 1pdc n SER 20 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 1pdc s MET 21 N 0.08 0.93 -1.06 -1.46 1.75 -1.26 -4.86 119.30 113.41 1pdc s MET 21 Ca 0.00 -0.98 -0.13 0.00 -1.25 0.00 0.00 55.69 53.33 1pdc s MET 21 Cb 0.00 -2.22 0.13 0.00 2.84 0.00 0.00 34.83 35.59 1pdc s MET 21 CO 0.00 -0.84 0.34 1.87 -0.65 0.00 0.00 175.02 175.74 1pdc n TRP 23 N 4.81 -1.12 0.00 4.11 -0.00 -1.26 -4.64 117.44 119.34 1pdc n TRP 23 Ca -0.05 0.39 0.00 0.00 -0.00 0.00 0.00 57.50 57.84 1pdc n TRP 23 Cb 0.43 -1.28 0.00 0.00 -0.00 0.00 0.00 31.31 30.46 1pdc n TRP 23 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 177.69 177.57 1pdc n MET 24 N -2.94 0.00 -3.38 5.87 1.56 -1.26 -5.16 117.12 111.81 1pdc n MET 24 Ca 0.07 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.50 1pdc n MET 24 Cb 0.37 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.74 1pdc n MET 24 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 1pdc n SER 25 N 0.00 0.00 -4.20 6.12 3.41 -1.26 -3.63 113.62 114.06 1pdc n SER 25 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 1pdc n SER 25 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 1pdc n SER 25 CO 0.00 0.00 0.00 -1.66 -0.16 0.00 0.00 175.04 173.22 1pdc s TRP 26 N -2.19 1.08 0.19 7.33 1.48 -0.91 0.17 118.94 126.10 1pdc s TRP 26 Ca 0.00 -1.27 0.10 0.00 -1.06 0.00 0.00 56.10 53.87 1pdc s TRP 26 Cb 0.00 -0.58 -0.04 0.00 -1.16 0.00 0.00 33.47 31.69 1pdc s TRP 26 CO 0.00 -0.52 -0.20 0.00 -4.06 0.00 0.00 176.95 172.17 1pdc s SER 28 N -2.83 6.18 -0.02 0.00 0.15 -1.26 -1.45 113.70 114.47 1pdc s SER 28 Ca 0.20 0.19 -0.04 0.00 0.70 0.00 0.00 55.95 57.00 1pdc s SER 28 Cb -0.06 -2.12 -0.02 0.00 -1.71 0.00 0.00 66.02 62.10 1pdc s SER 28 CO 0.09 0.06 0.35 -0.07 1.20 0.00 0.00 173.24 174.87 1pdc h LEU 29 N 7.43 -0.12-10.36 3.45 3.38 0.45 -3.13 115.31 116.40 1pdc h LEU 29 Ca -0.38 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.08 1pdc h LEU 29 Cb 1.17 0.03 0.06 0.00 0.09 0.00 0.00 40.66 42.01 1pdc h LEU 29 CO 0.68 0.04 0.42 -0.94 0.09 0.00 0.00 178.44 178.73 1pdc s SER 30 N -3.56 6.23 0.01 -0.43 1.04 -1.24 -3.82 113.70 111.92 1pdc s SER 30 Ca -0.02 1.42 -0.03 0.00 0.48 0.00 0.00 55.95 57.80 1pdc s SER 30 Cb 0.00 -2.47 -0.01 0.00 0.10 0.00 0.00 66.02 63.64 1pdc s SER 30 CO 0.06 -0.87 1.05 -0.65 0.98 0.00 0.00 173.24 173.81 1pdc h PRO 31 N -0.30 -0.08 -6.77 4.02 0.10 -1.88 -3.41 132.00 123.67 1pdc h PRO 31 Ca -0.44 0.01 -0.49 0.00 0.10 0.00 0.00 66.00 65.18 1pdc h PRO 31 Cb 1.19 0.02 -0.02 0.00 0.10 0.00 0.00 31.00 32.29 1pdc h PRO 31 CO 0.62 -0.05 0.35 1.21 0.10 0.00 0.00 178.00 180.23 1pdc s ASN 32 N -2.45 7.60 0.00 -2.05 3.84 -1.26 -0.82 114.94 119.79 1pdc s ASN 32 Ca -0.01 1.93 0.00 0.00 0.21 0.00 0.00 52.86 54.98 1pdc s ASN 32 Cb 0.00 -2.60 0.00 0.00 -0.55 0.00 0.00 41.25 38.10 1pdc s ASN 32 CO 0.05 0.12 0.00 0.00 -2.79 0.00 0.00 177.10 174.48 1pdc n TYR 33 N 1.33 0.00 -0.34 0.43 4.19 -0.19 -4.79 117.16 117.79 1pdc n TYR 33 Ca -0.01 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.20 1pdc n TYR 33 Cb 0.48 -0.11 0.00 0.00 0.49 0.00 0.00 39.34 40.20 1pdc n TYR 33 CO 0.00 0.00 0.00 -3.47 0.91 0.00 0.00 176.86 174.30 1pdc n ASP 34 N -2.05 -1.81 0.00 2.98 2.03 -1.20 0.42 116.55 116.92 1pdc n ASP 34 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1pdc n ASP 34 Cb 0.00 -1.50 0.00 0.00 -0.72 0.00 0.00 41.12 38.90 1pdc n ASP 34 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1pdc n LYS 35 N 0.27 0.00 -1.13 -0.67 4.76 -1.26 -4.87 118.16 115.26 1pdc n LYS 35 Ca 0.00 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 55.04 1pdc n LYS 35 Cb 0.15 -1.12 -0.05 0.00 -1.84 0.00 0.00 35.03 32.17 1pdc n LYS 35 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1pdc n ASP 36 N 0.00 3.02 -2.64 4.39 2.03 0.17 -4.39 116.55 119.13 1pdc n ASP 36 Ca 0.00 -2.63 -0.14 0.00 0.52 0.00 0.00 54.79 52.54 1pdc n ASP 36 Cb 0.00 -1.15 -0.03 0.00 -0.72 0.00 0.00 41.12 39.22 1pdc n ASP 36 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1pdc n ARG 37 N 6.47 -1.55 -0.30 -0.67 -4.01 -1.26 -4.69 116.66 110.65 1pdc n ARG 37 Ca 0.49 0.05 -0.06 0.00 -1.04 0.00 0.00 57.85 57.29 1pdc n ARG 37 Cb 0.36 -2.99 0.04 0.00 -3.04 0.00 0.00 32.46 26.83 1pdc n ARG 37 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1pdc n ALA 38 N -2.22 3.27 -3.71 2.89 0.00 -1.26 -4.74 120.51 114.74 1pdc n ALA 38 Ca 0.04 -0.69 -0.01 0.00 0.00 0.00 0.00 53.44 52.78 1pdc n ALA 38 Cb 0.31 -1.11 0.03 0.00 0.00 0.00 0.00 19.45 18.68 1pdc n ALA 38 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 1pdc n TRP 39 N 0.13 -2.19 -3.56 0.00 4.27 -1.26 0.10 117.44 114.92 1pdc n TRP 39 Ca 0.14 -1.64 -0.15 0.00 -3.89 0.00 0.00 57.50 51.97 1pdc n TRP 39 Cb 0.77 0.82 -0.05 0.00 -1.36 0.00 0.00 31.31 31.49 1pdc n TRP 39 CO 0.00 0.00 0.00 -1.59 -2.29 0.00 0.00 177.69 173.81 1pdc s LYS 40 N -2.08 1.03 0.66 -2.67 -2.85 -0.53 -4.74 119.74 108.57 1pdc s LYS 40 Ca 0.14 -0.13 -0.12 0.00 -1.00 0.00 0.00 55.97 54.86 1pdc s LYS 40 Cb -0.04 0.47 -0.01 0.00 -2.06 0.00 0.00 37.83 36.19 1pdc s LYS 40 CO 0.10 -0.36 1.05 -0.47 0.10 0.00 0.00 175.35 175.78 1pdc s TYR 41 N -2.16 3.14 -1.92 1.78 5.04 -1.26 -0.95 117.35 121.03 1pdc s TYR 41 Ca -0.07 1.43 0.15 0.00 -2.44 0.00 0.00 57.07 56.15 1pdc s TYR 41 Cb -0.01 -2.89 0.12 0.00 0.35 0.00 0.00 41.96 39.54 1pdc s TYR 41 CO 0.01 -1.14 0.99 0.00 -1.34 0.00 0.00 175.55 174.06