#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1shp h ILE 2 N 0.00 0.74 0.00 0.44 3.07 -1.98 -0.39 117.51 119.39 1shp h ILE 2 Ca 0.00 -0.25 0.00 0.00 1.55 0.00 0.00 64.86 66.16 1shp h ILE 2 Cb 0.00 -0.04 0.00 0.00 -0.27 0.00 0.00 36.82 36.51 1shp h ILE 2 CO 0.00 0.13 0.11 0.00 -1.05 0.00 0.00 178.15 177.34 1shp h SER 4 N 0.00 0.00 -3.99 0.00 0.02 -1.40 -3.41 113.55 104.77 1shp h SER 4 Ca 0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 1shp h SER 4 Cb 0.21 0.00 0.10 0.00 0.14 0.00 0.00 62.40 62.85 1shp h SER 4 CO 0.00 0.52 0.60 -1.61 -1.14 0.00 0.00 176.83 175.20 1shp s GLU 5 N -2.95 3.67 0.38 3.45 0.41 0.05 -4.85 118.70 118.86 1shp s GLU 5 Ca 0.02 2.14 -0.06 0.00 -0.41 0.00 0.00 54.97 56.66 1shp s GLU 5 Cb 0.08 -2.54 0.09 0.00 -1.78 0.00 0.00 34.13 29.98 1shp s GLU 5 CO 0.77 -0.74 0.47 -0.35 -0.49 0.00 0.00 175.26 174.93 1shp n PRO 6 N -0.34 -0.77 -2.65 0.39 -0.04 -1.26 -4.71 135.00 125.61 1shp n PRO 6 Ca 0.06 -0.74 -0.39 0.00 -0.04 0.00 0.00 63.50 62.40 1shp n PRO 6 Cb 0.44 -0.53 -0.05 0.00 -0.04 0.00 0.00 33.50 33.32 1shp n PRO 6 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1shp s LYS 7 N -4.04 4.65 -0.26 0.54 2.20 -1.26 -4.95 119.74 116.62 1shp s LYS 7 Ca 0.28 1.54 -0.24 0.00 -0.36 0.00 0.00 55.97 57.19 1shp s LYS 7 Cb -0.01 -3.05 0.07 0.00 -1.51 0.00 0.00 37.83 33.32 1shp s LYS 7 CO 0.20 0.30 0.69 -1.59 -0.36 0.00 0.00 175.35 174.58 1shp s LYS 8 N -1.61 0.80 0.14 4.03 0.00 -1.26 -5.07 119.74 116.76 1shp s LYS 8 Ca 0.46 0.96 -0.16 0.00 0.00 0.00 0.00 55.97 57.24 1shp s LYS 8 Cb -0.25 0.39 0.00 0.00 0.00 0.00 0.00 37.83 37.97 1shp s LYS 8 CO 0.32 -0.10 1.69 0.28 0.00 0.00 0.00 175.35 177.54 1shp h VAL 9 N 4.06 1.20 0.00 1.79 2.07 -1.97 -3.46 116.25 119.94 1shp h VAL 9 Ca -0.29 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1shp h VAL 9 Cb 1.16 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1shp h VAL 9 CO 0.07 0.22 0.00 0.61 0.02 0.00 0.00 177.57 178.49 1shp n GLY 10 N -0.78 0.52 2.30 2.17 0.00 -1.26 -0.22 105.19 107.92 1shp n GLY 10 Ca 0.00 -1.51 -0.37 0.00 0.00 0.00 0.00 46.02 44.13 1shp n GLY 10 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1shp n ARG 11 N 0.95 3.65 -3.86 1.61 1.85 0.24 -4.39 116.66 116.71 1shp n ARG 11 Ca 0.00 -2.20 -0.12 0.00 -1.00 0.00 0.00 57.85 54.53 1shp n ARG 11 Cb 0.00 -2.74 -0.12 0.00 -1.05 0.00 0.00 32.46 28.56 1shp n ARG 11 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1shp n LYS 13 N 2.40 3.62 -3.23 0.00 3.00 -1.26 -4.36 118.16 118.33 1shp n LYS 13 Ca -0.17 -3.65 -0.13 0.00 -0.00 0.00 0.00 58.31 54.37 1shp n LYS 13 Cb 0.58 -2.92 -0.04 0.00 0.00 0.00 0.00 35.03 32.65 1shp n LYS 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1shp n GLY 14 N 2.96 3.62 2.56 3.14 0.00 -0.43 -5.05 105.19 112.00 1shp n GLY 14 Ca 0.38 -1.98 -0.26 0.00 0.00 0.00 0.00 46.02 44.16 1shp n GLY 14 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1shp s TYR 15 N -2.40 0.31 -0.28 1.61 6.14 -1.25 -4.42 117.35 117.07 1shp s TYR 15 Ca 0.12 -1.13 0.02 0.00 0.64 0.00 0.00 57.07 56.72 1shp s TYR 15 Cb 0.01 -0.78 0.08 0.00 0.42 0.00 0.00 41.96 41.69 1shp s TYR 15 CO 0.09 -0.86 -0.01 -0.06 0.64 0.00 0.00 175.55 175.35 1shp s PHE 16 N 1.55 2.71 -0.59 4.97 0.08 0.15 -4.96 117.98 121.89 1shp s PHE 16 Ca 0.14 -2.13 -0.26 0.00 0.12 0.00 0.00 56.93 54.80 1shp s PHE 16 Cb -0.19 -1.98 -0.03 0.00 -0.57 0.00 0.00 43.02 40.25 1shp s PHE 16 CO -0.14 -0.85 1.94 -1.25 -0.10 0.00 0.00 175.22 174.82 1shp s PRO 17 N 1.28 2.56 0.57 0.24 0.04 -1.26 -0.31 135.00 138.12 1shp s PRO 17 Ca 0.01 0.74 0.07 0.00 0.04 0.00 0.00 61.00 61.85 1shp s PRO 17 Cb -0.19 -4.41 0.06 0.00 0.04 0.00 0.00 34.50 30.00 1shp s PRO 17 CO -0.10 -2.80 0.54 1.03 0.04 0.00 0.00 177.00 175.72 1shp s ARG 18 N 7.20 2.23 0.05 4.56 1.81 0.20 -4.92 118.95 130.09 1shp s ARG 18 Ca 0.72 -1.96 0.09 0.00 -1.72 0.00 0.00 55.73 52.86 1shp s ARG 18 Cb -0.13 -2.25 -0.03 0.00 -0.45 0.00 0.00 34.95 32.09 1shp s ARG 18 CO 0.22 -0.77 -0.25 -0.06 -0.68 0.00 0.00 175.30 173.75 1shp s PHE 19 N -2.78 2.35 0.11 -0.53 0.40 0.10 -0.12 117.98 117.51 1shp s PHE 19 Ca 0.42 -0.39 0.09 0.00 -0.60 0.00 0.00 56.93 56.44 1shp s PHE 19 Cb -0.03 -1.38 -0.04 0.00 0.51 0.00 0.00 43.02 42.08 1shp s PHE 19 CO 0.26 0.17 -0.22 1.52 0.70 0.00 0.00 175.22 177.65 1shp s TYR 20 N -0.85 1.90 -0.63 0.36 1.13 0.36 -0.28 117.35 119.34 1shp s TYR 20 Ca 0.12 -0.41 -0.27 0.00 -1.41 0.00 0.00 57.07 55.10 1shp s TYR 20 Cb -0.10 -1.03 0.01 0.00 -1.10 0.00 0.00 41.96 39.74 1shp s TYR 20 CO 0.03 0.24 1.50 0.12 -2.51 0.00 0.00 175.55 174.94 1shp s PHE 21 N -1.21 2.10 -0.53 -3.49 5.36 -1.26 -0.80 117.98 118.15 1shp s PHE 21 Ca 0.09 0.39 -0.28 0.00 -0.96 0.00 0.00 56.93 56.17 1shp s PHE 21 Cb -0.10 -4.38 0.00 0.00 -0.34 0.00 0.00 43.02 38.20 1shp s PHE 21 CO 0.05 -2.12 1.58 0.34 -1.46 0.00 0.00 175.22 173.60 1shp s ASP 22 N 5.27 5.91 0.00 6.13 -1.08 0.78 -4.86 116.67 128.82 1shp s ASP 22 Ca 0.51 0.49 0.30 0.00 -0.52 0.00 0.00 52.55 53.33 1shp s ASP 22 Cb -0.11 -2.54 1.47 0.00 -1.46 0.00 0.00 42.92 40.28 1shp s ASP 22 CO 0.20 -1.85 1.99 -0.24 0.52 0.00 0.00 175.17 175.80 1shp n SER 23 N 10.36 0.53 -0.05 -0.34 2.88 -1.26 -0.11 113.62 125.64 1shp n SER 23 Ca 0.16 -0.97 -0.18 0.00 -1.33 0.00 0.00 58.87 56.55 1shp n SER 23 Cb 0.49 -0.03 -0.13 0.00 -0.75 0.00 0.00 64.21 63.79 1shp n SER 23 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1shp h GLU 24 N 0.79 0.09 0.05 -1.46 4.39 -1.94 -3.35 114.58 113.14 1shp h GLU 24 Ca 0.00 -0.15 -0.25 0.00 0.34 0.00 0.00 59.36 59.30 1shp h GLU 24 Cb 0.25 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.93 1shp h GLU 24 CO 0.00 1.07 -1.26 1.79 -1.16 0.00 0.00 179.01 179.45 1shp h THR 25 N -0.79 1.44 -1.47 1.13 1.35 -1.99 -3.48 112.91 109.10 1shp h THR 25 Ca -0.15 -3.13 0.00 0.00 -0.55 0.00 0.00 66.41 62.58 1shp h THR 25 Cb 1.30 2.79 0.00 0.00 -1.73 0.00 0.00 68.15 70.50 1shp h THR 25 CO -0.02 0.86 0.00 0.61 -0.25 0.00 0.00 175.52 176.72 1shp n GLY 26 N 1.48 0.51 3.09 5.82 0.00 0.84 -5.09 105.19 111.83 1shp n GLY 26 Ca -0.07 -0.39 -0.13 0.00 0.00 0.00 0.00 46.02 45.43 1shp n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1shp s LYS 27 N -2.99 0.24 0.04 1.61 -0.14 0.24 -4.99 119.74 113.76 1shp s LYS 27 Ca 0.00 0.41 -0.31 0.00 -1.36 0.00 0.00 55.97 54.72 1shp s LYS 27 Cb 0.00 0.02 -0.06 0.00 -1.68 0.00 0.00 37.83 36.11 1shp s LYS 27 CO 0.00 -0.09 1.43 0.00 -0.76 0.00 0.00 175.35 175.93 1shp s THR 29 N 2.08 -0.01 0.70 0.00 2.01 0.02 -4.92 115.64 115.53 1shp s THR 29 Ca 0.65 0.02 -0.13 0.00 0.31 0.00 0.00 61.69 62.55 1shp s THR 29 Cb -0.34 -0.40 0.02 0.00 0.01 0.00 0.00 72.50 71.79 1shp s THR 29 CO 0.28 0.01 1.09 -2.16 -0.69 0.00 0.00 174.62 173.15 1shp s PRO 30 N 0.33 2.69 0.07 4.92 0.04 -1.26 -0.49 135.00 141.29 1shp s PRO 30 Ca -0.01 1.23 -0.24 0.00 0.04 0.00 0.00 61.00 62.01 1shp s PRO 30 Cb -0.03 -1.95 0.06 0.00 0.04 0.00 0.00 34.50 32.62 1shp s PRO 30 CO -0.01 -1.32 0.57 -0.59 0.04 0.00 0.00 177.00 175.70 1shp s PHE 31 N -2.66 -0.50 -0.48 0.56 -0.71 0.82 -4.78 117.98 110.24 1shp s PHE 31 Ca 0.63 0.54 -0.26 0.00 -1.04 0.00 0.00 56.93 56.80 1shp s PHE 31 Cb -0.18 0.42 0.03 0.00 -1.21 0.00 0.00 43.02 42.08 1shp s PHE 31 CO 0.48 -0.70 0.96 0.42 -1.34 0.00 0.00 175.22 175.04 1shp s ILE 32 N -2.66 4.41 0.23 -4.49 -1.09 -1.26 -0.62 121.20 115.71 1shp s ILE 32 Ca -0.04 0.73 -0.17 0.00 -2.23 0.00 0.00 60.65 58.94 1shp s ILE 32 Cb -0.00 -4.48 -0.08 0.00 -1.58 0.00 0.00 42.46 36.31 1shp s ILE 32 CO -0.03 -0.92 0.67 -0.47 -1.23 0.00 0.00 174.94 172.96 1shp s TYR 33 N 3.92 3.56 0.07 3.97 5.04 0.58 -4.41 117.35 130.08 1shp s TYR 33 Ca 0.37 1.24 0.09 0.00 -2.44 0.00 0.00 57.07 56.34 1shp s TYR 33 Cb -0.10 -2.52 -0.07 0.00 0.35 0.00 0.00 41.96 39.62 1shp s TYR 33 CO 0.26 0.30 1.36 0.78 -1.34 0.00 0.00 175.55 176.91 1shp h GLY 34 N 3.14 0.00 0.00 8.97 0.00 -0.80 0.46 103.07 114.84 1shp h GLY 34 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1shp h GLY 34 CO 0.66 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.81 1shp n GLY 35 N 1.19 3.63 3.51 4.60 0.00 -1.26 -1.31 105.19 115.54 1shp n GLY 35 Ca 0.00 -1.02 -0.09 0.00 0.00 0.00 0.00 46.02 44.91 1shp n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1shp n GLY 37 N -0.33 -0.37 0.00 0.00 0.00 -1.26 -2.61 105.19 100.63 1shp n GLY 37 Ca -0.09 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1shp n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1shp n GLY 38 N -1.25 1.20 3.62 -0.02 0.00 -1.26 -0.59 105.19 106.88 1shp n GLY 38 Ca -0.27 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.65 1shp n GLY 38 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1shp n ASN 39 N 0.00 -2.04 0.27 1.61 0.23 -1.26 -4.99 115.26 109.09 1shp n ASN 39 Ca 0.00 -2.66 0.15 0.00 -0.53 0.00 0.00 54.58 51.55 1shp n ASN 39 Cb 0.00 3.46 0.70 0.00 -2.08 0.00 0.00 39.78 41.86 1shp n ASN 39 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1shp h GLY 40 N 1.96 0.00 -6.20 4.83 0.00 -2.00 -3.33 103.07 98.33 1shp h GLY 40 Ca -0.32 0.00 -0.69 0.00 0.00 0.00 0.00 47.33 46.32 1shp h GLY 40 CO 0.41 0.00 2.92 -2.01 0.00 0.00 0.00 176.54 177.86 1shp n ASN 41 N -3.25 3.68 -3.03 0.19 2.85 -1.26 -4.58 115.26 109.87 1shp n ASN 41 Ca -0.00 -2.82 -0.03 0.00 -0.11 0.00 0.00 54.58 51.62 1shp n ASN 41 Cb 0.30 -1.57 -0.01 0.00 1.24 0.00 0.00 39.78 39.74 1shp n ASN 41 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 1shp s ASN 42 N 3.60 -1.28 0.06 1.20 3.04 -1.25 -4.64 114.94 115.68 1shp s ASN 42 Ca 0.49 -1.31 0.07 0.00 0.04 0.00 0.00 52.86 52.16 1shp s ASN 42 Cb 0.13 1.80 -0.04 0.00 -1.54 0.00 0.00 41.25 41.61 1shp s ASN 42 CO -0.04 -0.12 -0.14 -0.36 -3.04 0.00 0.00 177.10 173.40 1shp s PHE 43 N 1.35 2.67 0.22 0.43 0.08 0.62 -4.92 117.98 118.43 1shp s PHE 43 Ca 0.23 -0.19 -0.06 0.00 0.12 0.00 0.00 56.93 57.02 1shp s PHE 43 Cb -0.03 -1.46 0.20 0.00 -0.57 0.00 0.00 43.02 41.16 1shp s PHE 43 CO -0.06 0.35 1.76 1.49 -0.10 0.00 0.00 175.22 178.65 1shp h GLU 44 N 4.13 1.08 -4.26 0.44 4.57 -1.94 0.29 114.58 118.89 1shp h GLU 44 Ca -0.48 -0.24 -0.15 0.00 -1.18 0.00 0.00 59.36 57.31 1shp h GLU 44 Cb 1.16 -0.15 -0.15 0.00 -0.16 0.00 0.00 28.75 29.45 1shp h GLU 44 CO 0.50 0.93 -0.60 0.95 -1.18 0.00 0.00 179.01 179.61 1shp s THR 45 N -5.33 0.14 0.21 0.32 -4.23 -1.26 -4.43 115.64 101.07 1shp s THR 45 Ca -0.12 -1.76 -0.09 0.00 -1.18 0.00 0.00 61.69 58.54 1shp s THR 45 Cb 0.15 -1.78 0.16 0.00 1.34 0.00 0.00 72.50 72.37 1shp s THR 45 CO 0.84 -0.65 1.72 0.25 -0.54 0.00 0.00 174.62 176.24 1shp h LEU 46 N 2.92 0.14 -0.58 4.79 5.85 -1.95 0.43 115.31 126.91 1shp h LEU 46 Ca -0.34 0.10 0.11 0.00 0.84 0.00 0.00 57.88 58.59 1shp h LEU 46 Cb 1.18 0.10 -0.11 0.00 0.37 0.00 0.00 40.66 42.20 1shp h LEU 46 CO 0.60 0.08 -0.20 -0.74 -0.34 0.00 0.00 178.44 177.84 1shp h HIS 47 N 0.35 -0.48 -0.02 1.25 2.76 -1.98 0.33 115.15 117.35 1shp h HIS 47 Ca 0.33 0.06 -0.01 0.00 -2.20 0.00 0.00 60.37 58.54 1shp h HIS 47 Cb 0.46 0.30 -0.00 0.00 1.55 0.00 0.00 27.41 29.71 1shp h HIS 47 CO -0.20 -0.30 -0.02 0.37 -1.30 0.00 0.00 177.93 176.48 1shp h GLN 48 N -0.06 0.06 -0.79 5.26 4.15 -1.79 0.46 115.11 122.40 1shp h GLN 48 Ca 0.27 -0.03 0.16 0.00 0.77 0.00 0.00 58.65 59.82 1shp h GLN 48 Cb 0.48 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 28.06 1shp h GLN 48 CO -0.62 0.52 0.32 0.00 -1.93 0.00 0.00 178.83 177.11 1shp h ARG 50 N 0.44 -0.95 -0.95 0.00 2.43 -0.25 0.13 114.38 115.23 1shp h ARG 50 Ca 0.45 0.06 0.25 0.00 -0.81 0.00 0.00 59.98 59.93 1shp h ARG 50 Cb 0.71 0.21 -0.13 0.00 -0.42 0.00 0.00 29.97 30.35 1shp h ARG 50 CO -0.43 -0.61 0.48 0.00 -1.51 0.00 0.00 179.97 177.90 1shp h ALA 51 N -0.97 1.66 0.03 2.80 0.00 -0.15 0.26 119.26 122.90 1shp h ALA 51 Ca -0.10 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1shp h ALA 51 Cb 0.78 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1shp h ALA 51 CO 0.16 -0.39 -0.02 0.82 0.00 0.00 0.00 179.25 179.83 1shp h ILE 52 N 0.42 1.15 0.00 0.00 1.08 -0.88 -3.42 117.51 115.87 1shp h ILE 52 Ca 0.63 -1.72 -0.03 0.00 -0.39 0.00 0.00 64.86 63.35 1shp h ILE 52 Cb 1.27 2.12 -0.01 0.00 -3.07 0.00 0.00 36.82 37.13 1shp h ILE 52 CO -0.54 0.37 -1.50 0.00 -0.69 0.00 0.00 178.15 175.79 1shp n ARG 54 N -1.94 3.35 0.00 0.00 5.12 0.89 -5.01 116.66 119.08 1shp n ARG 54 Ca -0.04 -4.80 0.00 0.00 -1.93 0.00 0.00 57.85 51.08 1shp n ARG 54 Cb 0.36 -2.28 0.00 0.00 -1.16 0.00 0.00 32.46 29.38 1shp n ARG 54 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70