#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uua s PHE 2 N 0.00 1.99 0.00 2.11 -0.12 -1.26 -4.79 117.98 115.91 1uua s PHE 2 Ca 0.00 -0.99 0.00 0.00 -0.05 0.00 0.00 56.93 55.89 1uua s PHE 2 Cb 0.00 -1.46 0.00 0.00 -0.63 0.00 0.00 43.02 40.93 1uua s PHE 2 CO 0.00 0.09 0.00 0.00 -0.05 0.00 0.00 175.22 175.26 1uua n LEU 4 N 0.00 0.72 -4.94 0.00 -0.00 -1.26 -3.60 117.00 107.92 1uua n LEU 4 Ca 0.00 0.57 -0.25 0.00 -0.00 0.00 0.00 56.01 56.33 1uua n LEU 4 Cb 0.00 -0.35 -0.03 0.00 -0.00 0.00 0.00 43.42 43.04 1uua n LEU 4 CO 0.00 -0.18 -0.10 -1.61 -0.00 0.00 0.00 177.39 175.50 1uua s GLU 5 N -3.10 3.40 1.06 1.96 2.02 -1.26 -4.69 118.70 118.10 1uua s GLU 5 Ca 0.11 -0.64 -0.13 0.00 0.02 0.00 0.00 54.97 54.32 1uua s GLU 5 Cb 0.13 -2.93 0.18 0.00 0.10 0.00 0.00 34.13 31.60 1uua s GLU 5 CO 0.58 0.51 0.76 -2.30 0.02 0.00 0.00 175.26 174.82 1uua n PRO 6 N -0.66 -1.43 -1.68 0.39 -0.02 -1.26 -4.77 135.00 125.58 1uua n PRO 6 Ca -0.07 -0.38 -0.45 0.00 -2.02 0.00 0.00 63.50 60.58 1uua n PRO 6 Cb 0.54 -2.08 -0.03 0.00 -0.02 0.00 0.00 33.50 31.91 1uua n PRO 6 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1uua n PRO 7 N -3.70 2.11 -0.35 0.52 -0.04 -1.26 -4.89 135.00 127.40 1uua n PRO 7 Ca 0.06 0.75 0.00 0.00 -0.04 0.00 0.00 63.50 64.27 1uua n PRO 7 Cb 0.55 -2.44 0.13 0.00 -0.04 0.00 0.00 33.50 31.70 1uua n PRO 7 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1uua n TYR 8 N 2.12 0.82 -0.24 0.54 9.36 -1.26 -4.40 117.16 124.10 1uua n TYR 8 Ca 0.12 -0.40 0.28 0.00 3.32 0.00 0.00 57.90 61.22 1uua n TYR 8 Cb 0.32 -0.30 0.68 0.00 -0.63 0.00 0.00 39.34 39.41 1uua n TYR 8 CO 0.00 0.00 0.00 1.15 0.22 0.00 0.00 176.86 178.23 1uua h THR 9 N 1.21 0.53 0.00 2.97 2.02 -1.90 -3.45 112.91 114.28 1uua h THR 9 Ca 0.05 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.19 1uua h THR 9 Cb 1.16 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 1uua h THR 9 CO 0.22 0.02 0.00 0.61 0.37 0.00 0.00 175.52 176.74 1uua n GLY 10 N -1.68 1.89 0.19 2.16 0.00 -1.26 -0.81 105.19 105.68 1uua n GLY 10 Ca 0.21 -0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.26 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 12.51 1.25 -3.73 1.61 -0.05 -1.26 -4.84 135.00 140.48 1uua n PRO 11 Ca 0.00 -0.37 -0.37 0.00 -0.05 0.00 0.00 63.50 62.71 1uua n PRO 11 Cb 0.00 -1.34 -0.06 0.00 -0.05 0.00 0.00 33.50 32.05 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 -1.20 0.79 0.11 0.00 -0.14 -1.26 -4.81 119.74 113.23 1uua s LYS 13 Ca 0.20 -1.19 -0.00 0.00 -1.36 0.00 0.00 55.97 53.62 1uua s LYS 13 Cb -0.14 -0.75 0.02 0.00 -1.68 0.00 0.00 37.83 35.29 1uua s LYS 13 CO 0.10 -1.27 0.15 0.00 -0.76 0.00 0.00 175.35 173.57 1uua n ALA 14 N 3.66 0.01 -1.54 5.17 0.00 -1.26 -5.03 120.51 121.51 1uua n ALA 14 Ca 0.17 -0.28 -0.22 0.00 0.00 0.00 0.00 53.44 53.11 1uua n ALA 14 Cb 0.48 0.04 0.11 0.00 0.00 0.00 0.00 19.45 20.08 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 -1.28 2.63 -3.62 0.00 1.85 -1.26 -4.85 116.66 110.13 1uua n ARG 15 Ca 0.02 -3.47 -0.29 0.00 -1.00 0.00 0.00 57.85 53.11 1uua n ARG 15 Cb 0.09 -2.13 -0.14 0.00 -1.05 0.00 0.00 32.46 29.22 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 -4.12 0.62 -0.02 8.89 1.01 -1.26 -5.06 121.20 121.25 1uua s ILE 16 Ca 0.54 -1.62 -0.14 0.00 0.00 0.00 0.00 60.65 59.43 1uua s ILE 16 Cb 0.45 -1.46 -0.05 0.00 0.01 0.00 0.00 42.46 41.41 1uua s ILE 16 CO 0.02 -0.82 0.39 -0.63 0.00 0.00 0.00 174.94 173.89 1uua s ILE 17 N 1.28 5.09 0.00 2.92 1.09 -1.26 0.32 121.20 130.63 1uua s ILE 17 Ca 0.14 0.78 0.00 0.00 -1.10 0.00 0.00 60.65 60.47 1uua s ILE 17 Cb -0.20 -3.69 0.00 0.00 -1.06 0.00 0.00 42.46 37.51 1uua s ILE 17 CO -0.15 0.56 0.00 0.54 -0.10 0.00 0.00 174.94 175.79 1uua n ARG 18 N 2.04 2.52 -4.34 2.79 1.74 2.06 -4.87 116.66 118.60 1uua n ARG 18 Ca -0.14 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.68 1uua n ARG 18 Cb 0.52 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.88 1uua n ARG 18 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1uua s TYR 19 N 1.19 2.51 0.25 -1.55 1.51 0.27 -0.17 117.35 121.36 1uua s TYR 19 Ca 0.00 -0.65 -0.21 0.00 -1.01 0.00 0.00 57.07 55.20 1uua s TYR 19 Cb 0.00 -1.87 0.03 0.00 -0.11 0.00 0.00 41.96 40.01 1uua s TYR 19 CO 0.00 0.27 0.68 -0.59 -1.11 0.00 0.00 175.55 174.80 1uua s PHE 20 N -2.66 -0.24 -0.45 2.71 -0.71 -0.85 -1.95 117.98 113.84 1uua s PHE 20 Ca 0.37 -0.16 -0.09 0.00 -1.04 0.00 0.00 56.93 56.00 1uua s PHE 20 Cb 0.06 0.65 0.10 0.00 -1.21 0.00 0.00 43.02 42.62 1uua s PHE 20 CO 0.20 -1.14 0.31 -0.47 -1.34 0.00 0.00 175.22 172.78 1uua s TYR 21 N -3.89 3.39 -1.09 3.49 5.04 -1.24 -0.64 117.35 122.42 1uua s TYR 21 Ca 0.09 -1.72 -0.22 0.00 -2.44 0.00 0.00 57.07 52.78 1uua s TYR 21 Cb -0.05 -3.28 0.03 0.00 0.35 0.00 0.00 41.96 39.01 1uua s TYR 21 CO 0.03 -0.93 1.65 -0.80 -1.34 0.00 0.00 175.55 174.15 1uua s ASN 22 N 2.45 6.24 0.00 4.32 0.01 -0.21 -4.70 114.94 123.05 1uua s ASN 22 Ca 0.05 -1.61 0.16 0.00 -0.71 0.00 0.00 52.86 50.75 1uua s ASN 22 Cb -0.25 -2.57 0.98 0.00 0.41 0.00 0.00 41.25 39.82 1uua s ASN 22 CO 0.01 -1.76 1.40 0.00 -1.51 0.00 0.00 177.10 175.23 1uua n ALA 23 N 10.08 2.15 -0.06 0.60 0.00 -1.26 -0.16 120.51 131.85 1uua n ALA 23 Ca 0.39 -0.10 -0.14 0.00 0.00 0.00 0.00 53.44 53.60 1uua n ALA 23 Cb 0.49 -1.27 -0.14 0.00 0.00 0.00 0.00 19.45 18.53 1uua n ALA 23 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1uua n LYS 24 N -0.96 0.68 -0.11 0.00 4.81 -1.26 -4.55 118.16 116.77 1uua n LYS 24 Ca 0.12 0.17 -0.24 0.00 -0.87 0.00 0.00 58.31 57.49 1uua n LYS 24 Cb 0.06 -1.64 -0.11 0.00 0.02 0.00 0.00 35.03 33.35 1uua n LYS 24 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1uua n ALA 25 N -2.85 0.94 0.00 3.14 0.00 -0.98 -5.06 120.51 115.70 1uua n ALA 25 Ca -0.31 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.43 1uua n ALA 25 Cb 1.07 -0.34 0.00 0.00 0.00 0.00 0.00 19.45 20.18 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 1.44 2.47 2.15 0.00 0.00 0.77 -5.13 105.19 106.89 1uua n GLY 26 Ca -0.40 -0.33 -0.14 0.00 0.00 0.00 0.00 46.02 45.16 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 -4.83 0.99 -0.00 -1.25 -4.72 117.00 107.19 1uua n LEU 27 Ca 0.00 -1.10 -0.36 0.00 -0.00 0.00 0.00 56.01 54.55 1uua n LEU 27 Cb 0.00 -0.40 -0.07 0.00 -0.00 0.00 0.00 43.42 42.95 1uua n LEU 27 CO 0.00 -0.82 -0.16 0.00 -0.00 0.00 0.00 177.39 176.41 1uua n GLN 29 N 2.48 3.94 -3.92 0.00 7.27 0.19 -4.89 117.38 122.45 1uua n GLN 29 Ca -0.18 0.00 -0.15 0.00 0.07 0.00 0.00 57.00 56.74 1uua n GLN 29 Cb 0.54 0.00 -0.15 0.00 2.41 0.00 0.00 30.24 33.04 1uua n GLN 29 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 1uua s THR 30 N 2.32 0.11 0.20 1.69 -4.23 -1.26 -2.01 115.64 112.46 1uua s THR 30 Ca 0.00 0.03 0.02 0.00 -1.18 0.00 0.00 61.69 60.56 1uua s THR 30 Cb 0.00 -0.15 -0.05 0.00 1.34 0.00 0.00 72.50 73.64 1uua s THR 30 CO 0.00 0.08 0.02 0.72 -0.54 0.00 0.00 174.62 174.89 1uua s PHE 31 N 0.46 1.35 0.00 3.99 -0.71 0.76 -4.89 117.98 118.93 1uua s PHE 31 Ca -0.04 -1.02 0.00 0.00 -1.04 0.00 0.00 56.93 54.83 1uua s PHE 31 Cb -0.07 -0.77 0.00 0.00 -1.21 0.00 0.00 43.02 40.97 1uua s PHE 31 CO -0.01 -0.19 0.00 1.55 -1.34 0.00 0.00 175.22 175.23 1uua n VAL 32 N -0.32 0.00 -3.24 -2.49 3.14 -1.26 0.53 118.33 114.69 1uua n VAL 32 Ca -0.05 0.00 0.04 0.00 -2.96 0.00 0.00 64.34 61.37 1uua n VAL 32 Cb 0.64 -1.82 -0.02 0.00 -1.06 0.00 0.00 33.84 31.58 1uua n VAL 32 CO 0.00 0.00 0.00 -0.47 -6.46 0.00 0.00 176.83 169.90 1uua s TYR 33 N -0.32 -0.81 0.28 1.45 5.04 0.15 -4.31 117.35 118.83 1uua s TYR 33 Ca 0.00 1.03 0.11 0.00 -2.44 0.00 0.00 57.07 55.77 1uua s TYR 33 Cb 0.00 0.35 -0.05 0.00 0.35 0.00 0.00 41.96 42.61 1uua s TYR 33 CO 0.00 -0.43 -0.13 0.20 -1.34 0.00 0.00 175.55 173.85 1uua s GLY 34 N 2.78 1.86 -0.31 8.97 0.00 -1.26 -4.46 107.32 114.89 1uua s GLY 34 Ca 0.03 -1.84 -0.02 0.00 0.00 0.00 0.00 44.72 42.88 1uua s GLY 34 CO -0.15 -1.90 2.47 0.61 0.00 0.00 0.00 173.10 174.12 1uua n GLY 35 N -0.73 3.96 0.12 0.20 0.00 -1.26 -4.06 105.19 103.43 1uua n GLY 35 Ca -0.05 -1.32 -0.26 0.00 0.00 0.00 0.00 46.02 44.39 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 -4.25 0.48 -2.14 0.00 3.00 -1.26 -5.15 116.66 107.34 1uua n ARG 37 Ca -0.44 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.40 1uua n ARG 37 Cb 0.81 -0.73 0.00 0.00 0.00 0.00 0.00 32.46 32.55 1uua n ARG 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1uua n ALA 38 N -1.74 -1.69 -2.47 7.54 0.00 -1.26 -5.07 120.51 115.82 1uua n ALA 38 Ca 0.00 0.35 -0.23 0.00 0.00 0.00 0.00 53.44 53.56 1uua n ALA 38 Cb 0.23 -1.19 -0.10 0.00 0.00 0.00 0.00 19.45 18.38 1uua n ALA 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1uua s LYS 39 N -0.41 1.64 -1.18 0.00 -2.85 -1.26 -5.05 119.74 110.64 1uua s LYS 39 Ca 0.00 -1.86 -0.08 0.00 -1.00 0.00 0.00 55.97 53.04 1uua s LYS 39 Cb 0.00 -1.23 -0.06 0.00 -2.06 0.00 0.00 37.83 34.48 1uua s LYS 39 CO 0.00 0.01 2.93 0.54 0.10 0.00 0.00 175.35 178.93 1uua n ARG 40 N -0.67 3.52 -3.36 1.78 5.12 -1.26 -4.69 116.66 117.11 1uua n ARG 40 Ca -0.05 -2.31 -0.16 0.00 -1.93 0.00 0.00 57.85 53.41 1uua n ARG 40 Cb 0.64 -2.57 -0.08 0.00 -1.16 0.00 0.00 32.46 29.30 1uua n ARG 40 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 1uua s ASN 41 N 1.56 1.11 -0.15 0.55 3.04 -1.26 -4.55 114.94 115.24 1uua s ASN 41 Ca 0.65 -1.32 -0.23 0.00 0.04 0.00 0.00 52.86 52.00 1uua s ASN 41 Cb 0.22 0.64 0.06 0.00 -1.54 0.00 0.00 41.25 40.63 1uua s ASN 41 CO -0.07 -0.29 0.59 0.20 -3.04 0.00 0.00 177.10 174.50 1uua s ASN 42 N 1.69 -0.59 0.03 -4.21 -0.87 -1.26 -4.88 114.94 104.85 1uua s ASN 42 Ca 0.15 0.95 0.02 0.00 -1.57 0.00 0.00 52.86 52.41 1uua s ASN 42 Cb -0.14 0.94 -0.02 0.00 -0.02 0.00 0.00 41.25 42.00 1uua s ASN 42 CO -0.11 -0.35 -0.06 -0.36 -2.57 0.00 0.00 177.10 173.65 1uua s PHE 43 N -0.30 0.54 -0.23 2.20 0.40 -0.82 -4.91 117.98 114.87 1uua s PHE 43 Ca -0.05 -0.38 -0.06 0.00 -0.60 0.00 0.00 56.93 55.84 1uua s PHE 43 Cb -0.03 -0.34 -0.18 0.00 0.51 0.00 0.00 43.02 42.98 1uua s PHE 43 CO 0.04 -0.07 -0.08 1.63 0.70 0.00 0.00 175.22 177.43 1uua n LYS 44 N 1.90 0.65 -4.32 0.44 4.76 -1.26 0.97 118.16 121.31 1uua n LYS 44 Ca -0.20 0.25 -0.18 0.00 -2.87 0.00 0.00 58.31 55.30 1uua n LYS 44 Cb 0.56 -1.58 -0.10 0.00 -1.84 0.00 0.00 35.03 32.06 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 -6.90 2.40 0.02 4.39 0.01 -1.26 -4.85 113.70 107.51 1uua s SER 45 Ca -0.32 -0.97 -0.28 0.00 1.31 0.00 0.00 55.95 55.69 1uua s SER 45 Cb 0.10 -0.11 -0.15 0.00 0.21 0.00 0.00 66.02 66.06 1uua s SER 45 CO 0.61 -0.17 1.16 0.00 0.41 0.00 0.00 173.24 175.25 1uua h ALA 46 N 2.81 -0.96 -1.00 1.44 0.00 -1.96 -0.03 119.26 119.57 1uua h ALA 46 Ca -0.39 -0.22 0.24 0.00 0.00 0.00 0.00 54.91 54.55 1uua h ALA 46 Cb 1.21 0.37 -0.12 0.00 0.00 0.00 0.00 17.79 19.25 1uua h ALA 46 CO 0.59 -0.90 0.60 1.49 0.00 0.00 0.00 179.25 181.03 1uua h GLU 47 N -1.23 0.57 -0.05 0.00 4.57 -1.99 0.45 114.58 116.91 1uua h GLU 47 Ca -0.10 -0.03 -0.20 0.00 -1.18 0.00 0.00 59.36 57.85 1uua h GLU 47 Cb 0.74 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 29.20 1uua h GLU 47 CO 0.16 0.38 -0.80 -0.44 -1.18 0.00 0.00 179.01 177.13 1uua h ASP 48 N 0.59 0.46 0.63 1.04 3.32 -1.99 -1.37 116.42 119.09 1uua h ASP 48 Ca 0.64 -0.33 -0.03 0.00 0.02 0.00 0.00 57.03 57.33 1uua h ASP 48 Cb 1.21 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.62 1uua h ASP 48 CO -0.47 1.09 -0.15 0.00 -1.72 0.00 0.00 179.24 177.99 1uua h MET 50 N 0.00 0.00 -1.02 0.00 2.86 -0.33 0.21 114.93 116.66 1uua h MET 50 Ca -0.00 0.00 0.24 0.00 -2.06 0.00 0.00 59.70 57.88 1uua h MET 50 Cb 0.50 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 32.05 1uua h MET 50 CO 0.02 0.81 0.63 -0.09 1.06 0.00 0.00 176.91 179.34 1uua h ARG 51 N -1.00 0.52 0.00 1.72 2.43 -1.15 1.42 114.38 118.32 1uua h ARG 51 Ca -0.11 -0.03 -0.30 0.00 -0.81 0.00 0.00 59.98 58.74 1uua h ARG 51 Cb 0.94 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.33 1uua h ARG 51 CO -0.06 0.34 -1.61 2.41 -1.51 0.00 0.00 179.97 179.54 1uua n THR 52 N -4.76 1.54 -3.19 0.20 -1.04 -0.80 -4.72 114.28 101.50 1uua n THR 52 Ca 0.26 -0.13 -0.25 0.00 -2.04 0.00 0.00 64.05 61.89 1uua n THR 52 Cb 0.77 -1.99 -0.06 0.00 -1.82 0.00 0.00 70.33 67.23 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 0.55 -1.02 0.00 0.00 0.00 0.48 -4.27 105.19 100.94 1uua n GLY 54 Ca 0.27 0.72 0.00 0.00 0.00 0.00 0.00 46.02 47.02 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 2.03 -1.84 0.78 -0.02 0.00 -1.26 -4.50 105.19 100.38 1uua n GLY 55 Ca 0.09 0.84 0.10 0.00 0.00 0.00 0.00 46.02 47.04 1uua n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32