#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uua n PHE 2 N 0.00 0.01 0.00 -0.67 1.16 -1.26 -4.82 117.46 111.88 1uua n PHE 2 Ca 0.00 -0.33 0.00 0.00 -1.87 0.00 0.00 57.45 55.25 1uua n PHE 2 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 1uua n PHE 2 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1uua n LEU 4 N 0.00 0.33 -4.88 0.00 4.77 -1.26 -4.45 117.00 111.51 1uua n LEU 4 Ca 0.00 0.53 -0.34 0.00 -0.03 0.00 0.00 56.01 56.18 1uua n LEU 4 Cb 0.00 -0.43 -0.05 0.00 -2.33 0.00 0.00 43.42 40.61 1uua n LEU 4 CO 0.00 -0.09 0.04 -1.61 -1.33 0.00 0.00 177.39 174.40 1uua s GLU 5 N -3.05 3.69 0.92 3.23 2.02 -1.26 -4.71 118.70 119.55 1uua s GLU 5 Ca 0.12 0.06 -0.11 0.00 0.02 0.00 0.00 54.97 55.06 1uua s GLU 5 Cb 0.16 -2.96 0.15 0.00 0.10 0.00 0.00 34.13 31.57 1uua s GLU 5 CO 0.54 0.54 1.10 -2.14 0.02 0.00 0.00 175.26 175.33 1uua s PRO 6 N -2.11 1.01 0.70 0.39 0.02 -1.26 -4.95 135.00 128.80 1uua s PRO 6 Ca 0.35 1.14 -0.16 0.00 0.02 0.00 0.00 61.00 62.35 1uua s PRO 6 Cb -0.13 -1.76 0.02 0.00 0.02 0.00 0.00 34.50 32.66 1uua s PRO 6 CO 0.20 -2.50 1.22 -1.25 -0.33 0.00 0.00 177.00 174.33 1uua s PRO 7 N -4.75 2.28 -0.12 5.54 0.04 -1.26 -4.92 135.00 131.81 1uua s PRO 7 Ca 0.65 1.81 0.05 0.00 0.04 0.00 0.00 61.00 63.55 1uua s PRO 7 Cb -0.21 -1.84 0.33 0.00 0.04 0.00 0.00 34.50 32.82 1uua s PRO 7 CO 0.58 -1.74 1.10 0.98 0.04 0.00 0.00 177.00 177.97 1uua n TYR 8 N -2.49 0.96 0.00 0.56 9.36 -1.26 -4.41 117.16 119.89 1uua n TYR 8 Ca 0.14 -0.47 0.00 0.00 3.32 0.00 0.00 57.90 60.89 1uua n TYR 8 Cb 0.50 -0.33 0.00 0.00 -0.63 0.00 0.00 39.34 38.88 1uua n TYR 8 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 1uua n THR 9 N 0.17 0.92 0.00 2.97 -1.04 -1.26 -4.27 114.28 111.76 1uua n THR 9 Ca 0.14 0.29 0.00 0.00 -2.04 0.00 0.00 64.05 62.45 1uua n THR 9 Cb 0.72 -1.29 0.00 0.00 -1.82 0.00 0.00 70.33 67.94 1uua n THR 9 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1uua n GLY 10 N -1.18 0.00 0.89 3.41 0.00 -1.26 -2.13 105.19 104.91 1uua n GLY 10 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1uua n GLY 10 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uua n PRO 11 N 0.00 2.29 -3.77 1.61 -0.05 -1.26 -4.81 135.00 129.02 1uua n PRO 11 Ca 0.00 -1.39 -0.20 0.00 -0.05 0.00 0.00 63.50 61.86 1uua n PRO 11 Cb 0.00 -1.54 -0.17 0.00 -0.05 0.00 0.00 33.50 31.74 1uua n PRO 11 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1uua s LYS 13 N 1.81 0.82 0.06 0.00 3.01 -1.26 -4.37 119.74 119.82 1uua s LYS 13 Ca 0.01 -1.82 -0.00 0.00 -1.01 0.00 0.00 55.97 53.15 1uua s LYS 13 Cb -0.12 -1.27 0.01 0.00 -1.01 0.00 0.00 37.83 35.43 1uua s LYS 13 CO -0.03 -1.34 0.09 0.00 0.51 0.00 0.00 175.35 174.57 1uua n ALA 14 N 3.18 0.01 -1.43 5.17 0.00 -1.26 -5.02 120.51 121.16 1uua n ALA 14 Ca 0.25 -0.17 -0.30 0.00 0.00 0.00 0.00 53.44 53.22 1uua n ALA 14 Cb 0.46 0.03 0.09 0.00 0.00 0.00 0.00 19.45 20.03 1uua n ALA 14 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1uua n ARG 15 N -1.16 2.72 -3.79 0.00 1.85 -1.26 -4.85 116.66 110.17 1uua n ARG 15 Ca 0.01 -3.38 -0.30 0.00 -1.00 0.00 0.00 57.85 53.19 1uua n ARG 15 Cb 0.05 -2.25 -0.15 0.00 -1.05 0.00 0.00 32.46 29.06 1uua n ARG 15 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1uua s ILE 16 N -4.50 1.10 0.12 8.89 1.01 -1.26 -5.07 121.20 121.48 1uua s ILE 16 Ca 0.61 -1.43 -0.14 0.00 0.00 0.00 0.00 60.65 59.70 1uua s ILE 16 Cb 0.49 -1.76 -0.07 0.00 0.01 0.00 0.00 42.46 41.13 1uua s ILE 16 CO 0.01 -0.56 0.51 -0.63 0.00 0.00 0.00 174.94 174.27 1uua s ILE 17 N 1.52 4.91 0.00 2.92 -1.09 -1.26 0.48 121.20 128.69 1uua s ILE 17 Ca 0.07 0.77 0.00 0.00 -2.23 0.00 0.00 60.65 59.27 1uua s ILE 17 Cb -0.18 -3.73 0.00 0.00 -1.58 0.00 0.00 42.46 36.98 1uua s ILE 17 CO -0.19 0.30 0.00 -1.14 -1.23 0.00 0.00 174.94 172.67 1uua n ARG 18 N 0.96 1.04 -4.43 2.79 0.63 2.84 -4.87 116.66 115.61 1uua n ARG 18 Ca -0.07 0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 56.61 1uua n ARG 18 Cb 0.52 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 33.32 1uua n ARG 18 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1uua s TYR 19 N 0.43 2.27 0.28 -0.14 1.51 0.11 -0.12 117.35 121.68 1uua s TYR 19 Ca 0.00 -0.36 -0.19 0.00 -1.01 0.00 0.00 57.07 55.51 1uua s TYR 19 Cb 0.00 -1.07 0.07 0.00 -0.11 0.00 0.00 41.96 40.85 1uua s TYR 19 CO 0.00 0.57 0.94 -0.59 -1.11 0.00 0.00 175.55 175.35 1uua s PHE 20 N -2.00 0.12 0.50 2.71 -0.71 -0.08 -1.33 117.98 117.18 1uua s PHE 20 Ca 0.24 -0.66 0.03 0.00 -1.04 0.00 0.00 56.93 55.49 1uua s PHE 20 Cb -0.07 0.77 0.02 0.00 -1.21 0.00 0.00 43.02 42.54 1uua s PHE 20 CO 0.11 -1.23 0.71 -0.47 -1.34 0.00 0.00 175.22 173.00 1uua s TYR 21 N -2.08 2.93 -0.07 3.49 5.04 -1.26 -0.86 117.35 124.54 1uua s TYR 21 Ca 0.20 -0.05 -0.03 0.00 -2.44 0.00 0.00 57.07 54.76 1uua s TYR 21 Cb -0.04 -2.57 0.04 0.00 0.35 0.00 0.00 41.96 39.74 1uua s TYR 21 CO 0.08 -0.66 0.14 -0.80 -1.34 0.00 0.00 175.55 172.97 1uua s ASN 22 N -4.36 0.49 -0.02 4.32 0.01 0.08 -4.73 114.94 110.74 1uua s ASN 22 Ca 0.55 0.29 0.05 0.00 -0.71 0.00 0.00 52.86 53.03 1uua s ASN 22 Cb -0.10 0.19 0.16 0.00 0.41 0.00 0.00 41.25 41.92 1uua s ASN 22 CO 0.37 -0.21 1.03 0.00 -1.51 0.00 0.00 177.10 176.78 1uua n ALA 23 N 4.93 2.58 -0.11 0.60 0.00 -1.26 -0.59 120.51 126.66 1uua n ALA 23 Ca -0.12 -0.35 -0.18 0.00 0.00 0.00 0.00 53.44 52.79 1uua n ALA 23 Cb 0.50 -1.00 -0.13 0.00 0.00 0.00 0.00 19.45 18.83 1uua n ALA 23 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1uua n LYS 24 N 0.05 0.67 -0.05 0.00 4.01 -1.26 -4.71 118.16 116.87 1uua n LYS 24 Ca 0.06 0.16 -0.06 0.00 -0.51 0.00 0.00 58.31 57.96 1uua n LYS 24 Cb 0.24 -1.55 -0.05 0.00 -0.51 0.00 0.00 35.03 33.16 1uua n LYS 24 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1uua n ALA 25 N -3.17 1.79 0.00 7.82 0.00 -1.23 -5.05 120.51 120.66 1uua n ALA 25 Ca -0.42 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.54 1uua n ALA 25 Cb 1.01 0.18 0.00 0.00 0.00 0.00 0.00 19.45 20.65 1uua n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uua n GLY 26 N 2.79 2.92 0.00 0.00 0.00 0.24 -5.09 105.19 106.06 1uua n GLY 26 Ca -0.16 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.82 1uua n GLY 26 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1uua n LEU 27 N 0.00 0.00 -4.60 0.99 -0.00 -1.26 -4.51 117.00 107.63 1uua n LEU 27 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 56.01 55.69 1uua n LEU 27 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.32 1uua n LEU 27 CO 0.00 -0.19 -0.39 0.00 -0.00 0.00 0.00 177.39 176.81 1uua s GLN 29 N -1.52 1.29 -0.12 0.00 2.00 -0.04 -4.97 119.66 116.30 1uua s GLN 29 Ca 0.18 -1.46 -0.23 0.00 -2.00 0.00 0.00 55.36 51.85 1uua s GLN 29 Cb -0.11 0.34 -0.03 0.00 0.80 0.00 0.00 33.01 34.01 1uua s GLN 29 CO 0.08 -0.46 0.70 0.95 -0.50 0.00 0.00 175.29 176.06 1uua s THR 30 N -4.09 5.01 0.39 -0.34 -4.23 -1.26 -0.90 115.64 110.22 1uua s THR 30 Ca 0.31 1.39 0.05 0.00 -1.18 0.00 0.00 61.69 62.26 1uua s THR 30 Cb 0.04 -4.02 -0.07 0.00 1.34 0.00 0.00 72.50 69.79 1uua s THR 30 CO 0.09 0.17 0.03 0.72 -0.54 0.00 0.00 174.62 175.09 1uua s PHE 31 N 1.36 2.29 0.00 3.99 -0.71 0.82 -4.85 117.98 120.88 1uua s PHE 31 Ca 0.35 -0.80 0.00 0.00 -1.04 0.00 0.00 56.93 55.44 1uua s PHE 31 Cb -0.17 -1.60 0.00 0.00 -1.21 0.00 0.00 43.02 40.04 1uua s PHE 31 CO 0.14 0.28 0.00 1.55 -1.34 0.00 0.00 175.22 175.86 1uua n VAL 32 N -0.91 0.00 0.00 -2.49 3.14 -1.26 0.64 118.33 117.45 1uua n VAL 32 Ca -0.05 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.33 1uua n VAL 32 Cb 0.67 -1.61 0.00 0.00 -1.06 0.00 0.00 33.84 31.83 1uua n VAL 32 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1uua n TYR 33 N -0.54 0.00 -4.39 1.45 9.36 0.18 -3.96 117.16 119.26 1uua n TYR 33 Ca 0.00 0.00 -0.30 0.00 3.32 0.00 0.00 57.90 60.92 1uua n TYR 33 Cb 0.00 0.00 -0.11 0.00 -0.63 0.00 0.00 39.34 38.60 1uua n TYR 33 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 1uua s GLY 34 N 0.00 1.68 -0.24 2.98 0.00 -1.26 -4.42 107.32 106.05 1uua s GLY 34 Ca 0.00 -1.28 -0.04 0.00 0.00 0.00 0.00 44.72 43.40 1uua s GLY 34 CO 0.00 -1.23 2.80 0.61 0.00 0.00 0.00 173.10 175.27 1uua n GLY 35 N 1.01 3.70 0.13 0.20 0.00 -1.26 -4.13 105.19 104.84 1uua n GLY 35 Ca -0.15 -1.33 -0.24 0.00 0.00 0.00 0.00 46.02 44.30 1uua n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uua n ARG 37 N -3.97 0.13 -1.97 0.00 0.63 -1.26 -5.15 116.66 105.06 1uua n ARG 37 Ca -0.42 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.51 1uua n ARG 37 Cb 0.88 -0.55 0.00 0.00 0.45 0.00 0.00 32.46 33.23 1uua n ARG 37 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1uua n ALA 38 N -1.32 -2.17 -2.64 5.13 0.00 -1.26 -5.09 120.51 113.16 1uua n ALA 38 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1uua n ALA 38 Cb 0.05 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.21 1uua n ALA 38 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1uua n LYS 39 N 1.61 2.54 0.00 0.00 4.76 -1.26 -5.11 118.16 120.70 1uua n LYS 39 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1uua n LYS 39 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1uua n LYS 39 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1uua n ARG 40 N -0.27 0.00 -1.47 1.97 1.74 -1.26 -4.84 116.66 112.53 1uua n ARG 40 Ca 0.00 0.17 -0.39 0.00 -0.77 0.00 0.00 57.85 56.86 1uua n ARG 40 Cb 0.00 -0.64 -0.15 0.00 -1.02 0.00 0.00 32.46 30.65 1uua n ARG 40 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1uua n ASN 41 N -1.18 0.15 -3.71 0.55 4.05 -1.26 -4.89 115.26 108.96 1uua n ASN 41 Ca 0.00 0.12 -0.11 0.00 0.45 0.00 0.00 54.58 55.03 1uua n ASN 41 Cb 0.00 -0.87 -0.12 0.00 1.23 0.00 0.00 39.78 40.02 1uua n ASN 41 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 177.26 174.41 1uua s ASN 42 N 8.14 -0.33 0.04 1.20 0.01 -1.26 -4.98 114.94 117.76 1uua s ASN 42 Ca 1.33 0.70 0.03 0.00 -0.71 0.00 0.00 52.86 54.21 1uua s ASN 42 Cb -1.21 0.61 -0.02 0.00 0.41 0.00 0.00 41.25 41.04 1uua s ASN 42 CO 0.49 -0.18 -0.09 -0.36 -1.51 0.00 0.00 177.10 175.44 1uua s PHE 43 N 1.44 0.82 -0.24 2.20 0.08 -0.45 -4.99 117.98 116.84 1uua s PHE 43 Ca -0.08 -0.42 -0.01 0.00 0.12 0.00 0.00 56.93 56.54 1uua s PHE 43 Cb -0.10 -0.49 -0.18 0.00 -0.57 0.00 0.00 43.02 41.69 1uua s PHE 43 CO -0.10 -0.03 -0.15 1.63 -0.10 0.00 0.00 175.22 176.46 1uua n LYS 44 N 1.70 0.66 -4.28 0.44 4.76 -1.26 0.08 118.16 120.25 1uua n LYS 44 Ca -0.20 0.19 -0.15 0.00 -2.87 0.00 0.00 58.31 55.27 1uua n LYS 44 Cb 0.55 -1.55 -0.10 0.00 -1.84 0.00 0.00 35.03 32.09 1uua n LYS 44 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1uua s SER 45 N -6.71 1.65 0.06 4.39 0.01 -1.26 -4.75 113.70 107.09 1uua s SER 45 Ca -0.34 -1.14 -0.30 0.00 1.31 0.00 0.00 55.95 55.48 1uua s SER 45 Cb 0.09 0.03 -0.18 0.00 0.21 0.00 0.00 66.02 66.18 1uua s SER 45 CO 0.61 -0.47 1.53 0.00 0.41 0.00 0.00 173.24 175.32 1uua h ALA 46 N 2.63 -0.69 -0.67 1.44 0.00 -1.98 -1.49 119.26 118.50 1uua h ALA 46 Ca -0.37 -0.17 0.20 0.00 0.00 0.00 0.00 54.91 54.56 1uua h ALA 46 Cb 1.21 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 19.24 1uua h ALA 46 CO 0.64 -0.84 0.54 0.93 0.00 0.00 0.00 179.25 180.51 1uua h GLU 47 N -0.78 0.00 0.23 0.00 3.07 -1.98 0.31 114.58 115.43 1uua h GLU 47 Ca -0.07 0.00 -0.33 0.00 -0.50 0.00 0.00 59.36 58.46 1uua h GLU 47 Cb 0.57 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 28.51 1uua h GLU 47 CO 0.12 0.00 -1.47 0.22 -1.40 0.00 0.00 179.01 176.48 1uua h ASP 48 N 0.00 0.77 0.56 1.42 3.58 -1.95 -1.64 116.42 119.15 1uua h ASP 48 Ca 0.32 -0.84 -0.03 0.00 0.42 0.00 0.00 57.03 56.90 1uua h ASP 48 Cb 1.40 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 42.19 1uua h ASP 48 CO -0.00 1.66 -0.14 0.00 -2.88 0.00 0.00 179.24 177.87 1uua h MET 50 N 0.00 0.00 -1.11 0.00 2.86 -0.61 0.21 114.93 116.28 1uua h MET 50 Ca -0.00 0.00 0.33 0.00 -2.06 0.00 0.00 59.70 57.97 1uua h MET 50 Cb 0.46 0.00 -0.12 0.00 0.06 0.00 0.00 31.60 32.00 1uua h MET 50 CO 0.02 0.40 0.70 0.00 1.06 0.00 0.00 176.91 179.08 1uua h ARG 51 N -1.00 0.28 0.00 1.72 3.08 -1.19 1.64 114.38 118.90 1uua h ARG 51 Ca -0.02 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 1uua h ARG 51 Cb 0.46 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1uua h ARG 51 CO -0.01 0.18 -0.63 2.41 -1.07 0.00 0.00 179.97 180.85 1uua n THR 52 N -4.77 1.43 -3.07 2.04 -1.04 -0.87 -4.71 114.28 103.29 1uua n THR 52 Ca 0.31 0.18 -0.26 0.00 -2.04 0.00 0.00 64.05 62.23 1uua n THR 52 Cb 1.07 -2.34 -0.05 0.00 -1.82 0.00 0.00 70.33 67.19 1uua n THR 52 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1uua n GLY 54 N 0.05 0.25 2.68 0.00 0.00 0.56 -4.37 105.19 104.36 1uua n GLY 54 Ca 0.30 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.25 1uua n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uua n GLY 55 N 4.04 1.55 3.79 -0.02 0.00 -1.26 -4.98 105.19 108.31 1uua n GLY 55 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1uua n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32