#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 0.68 -0.78 0.44 3.07 -1.98 0.18 117.51 119.13 1shp h ILE 2 Ca 0.00 0.00 0.11 0.00 1.55 0.00 0.00 64.86 66.52 1shp h ILE 2 Cb 0.00 0.79 -0.05 0.00 -0.27 0.00 0.00 36.82 37.29 1shp h ILE 2 CO 0.00 0.00 0.51 0.00 -1.05 0.00 0.00 178.15 177.61 1shp n SER 4 N -4.50 0.52 -4.78 0.00 7.64 0.64 -4.46 113.62 108.68 1shp n SER 4 Ca 0.14 0.15 -0.37 0.00 1.01 0.00 0.00 58.87 59.80 1shp n SER 4 Cb 0.38 1.04 -0.03 0.00 -1.01 0.00 0.00 64.21 64.60 1shp n SER 4 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1shp s GLU 5 N -3.40 3.97 0.90 1.43 0.41 -1.21 -4.71 118.70 116.09 1shp s GLU 5 Ca -0.03 1.64 -0.12 0.00 -0.41 0.00 0.00 54.97 56.05 1shp s GLU 5 Cb 0.12 -2.47 0.13 0.00 -1.78 0.00 0.00 34.13 30.12 1shp s GLU 5 CO 0.83 -0.34 1.10 -1.25 -0.49 0.00 0.00 175.26 175.11 1shp s PRO 6 N -2.60 1.22 0.56 0.39 0.04 -1.26 -4.81 135.00 128.54 1shp s PRO 6 Ca 0.61 0.66 -0.21 0.00 0.04 0.00 0.00 61.00 62.10 1shp s PRO 6 Cb -0.25 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 1shp s PRO 6 CO 0.31 -2.22 1.20 1.17 0.04 0.00 0.00 177.00 177.50 1shp n LYS 7 N -3.85 1.37 -2.86 4.56 4.81 -1.26 -4.90 118.16 116.03 1shp n LYS 7 Ca 0.07 0.51 -0.12 0.00 -0.87 0.00 0.00 58.31 57.90 1shp n LYS 7 Cb 0.56 -2.40 0.02 0.00 0.02 0.00 0.00 35.03 33.24 1shp n LYS 7 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1shp n LYS 8 N -0.97 0.77 -0.18 1.64 2.85 -1.26 -4.95 118.16 116.05 1shp n LYS 8 Ca 0.12 -2.11 -0.07 0.00 -1.05 0.00 0.00 58.31 55.20 1shp n LYS 8 Cb 0.45 -1.40 0.02 0.00 -0.65 0.00 0.00 35.03 33.45 1shp n LYS 8 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1shp h VAL 9 N 2.74 1.15 0.00 0.58 2.07 -1.85 -3.40 116.25 117.53 1shp h VAL 9 Ca -0.09 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1shp h VAL 9 Cb 0.99 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1shp h VAL 9 CO 0.36 0.14 0.00 0.61 0.02 0.00 0.00 177.57 178.70 1shp n GLY 10 N -1.19 0.35 2.63 2.17 0.00 -1.26 -0.53 105.19 107.35 1shp n GLY 10 Ca 0.03 -1.67 -0.10 0.00 0.00 0.00 0.00 46.02 44.28 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 0.52 1.09 -3.75 1.61 1.85 -1.26 -4.90 116.66 111.82 1shp n ARG 11 Ca 0.00 -2.30 -0.13 0.00 -1.00 0.00 0.00 57.85 54.42 1shp n ARG 11 Cb 0.00 -0.82 -0.08 0.00 -1.05 0.00 0.00 32.46 30.51 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 1.17 3.01 -4.33 0.00 4.81 -1.26 -4.82 118.16 116.74 1shp n LYS 13 Ca -0.21 -2.17 -0.27 0.00 -0.87 0.00 0.00 58.31 54.78 1shp n LYS 13 Cb 0.56 -2.90 -0.10 0.00 0.02 0.00 0.00 35.03 32.61 1shp n LYS 13 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1shp s GLY 14 N 2.92 1.72 -0.43 3.14 0.00 -1.25 -5.07 107.32 108.36 1shp s GLY 14 Ca 0.57 -1.49 0.04 0.00 0.00 0.00 0.00 44.72 43.85 1shp s GLY 14 CO -0.05 -1.50 0.41 -0.47 0.00 0.00 0.00 173.10 171.49 1shp s TYR 15 N -1.58 0.43 -0.34 1.90 5.04 -1.25 -4.36 117.35 117.19 1shp s TYR 15 Ca 0.22 -1.84 0.03 0.00 -2.44 0.00 0.00 57.07 53.05 1shp s TYR 15 Cb -0.09 -0.63 0.10 0.00 0.35 0.00 0.00 41.96 41.69 1shp s TYR 15 CO 0.13 -0.93 0.05 -0.06 -1.34 0.00 0.00 175.55 173.40 1shp s PHE 16 N 0.37 3.53 0.11 4.97 0.08 0.18 -4.98 117.98 122.25 1shp s PHE 16 Ca 0.31 -2.86 -0.31 0.00 0.12 0.00 0.00 56.93 54.19 1shp s PHE 16 Cb 0.00 -2.78 -0.10 0.00 -0.57 0.00 0.00 43.02 39.58 1shp s PHE 16 CO -0.15 -0.94 1.72 -1.25 -0.10 0.00 0.00 175.22 174.50 1shp s PRO 17 N 0.98 4.17 0.31 0.24 0.04 -1.26 -0.37 135.00 139.11 1shp s PRO 17 Ca 0.11 2.46 0.04 0.00 0.04 0.00 0.00 61.00 63.65 1shp s PRO 17 Cb -0.19 -3.51 -0.03 0.00 0.04 0.00 0.00 34.50 30.81 1shp s PRO 17 CO -0.10 -0.76 0.20 1.03 0.04 0.00 0.00 177.00 177.41 1shp s ARG 18 N 2.42 1.64 0.02 4.56 1.81 0.33 -4.88 118.95 124.84 1shp s ARG 18 Ca 0.76 -1.94 0.08 0.00 -1.72 0.00 0.00 55.73 52.91 1shp s ARG 18 Cb -0.43 0.09 -0.02 0.00 -0.45 0.00 0.00 34.95 34.13 1shp s ARG 18 CO 0.34 -0.53 -0.25 -0.06 -0.68 0.00 0.00 175.30 174.12 1shp s PHE 19 N -3.58 2.19 0.11 -0.53 0.40 0.91 -0.23 117.98 117.24 1shp s PHE 19 Ca 0.37 -0.41 0.06 0.00 -0.60 0.00 0.00 56.93 56.36 1shp s PHE 19 Cb 0.04 -1.36 -0.03 0.00 0.51 0.00 0.00 43.02 42.18 1shp s PHE 19 CO 0.21 0.05 -0.16 1.52 0.70 0.00 0.00 175.22 177.53 1shp s TYR 20 N -0.70 1.47 -0.54 0.36 1.13 0.21 -0.27 117.35 119.01 1shp s TYR 20 Ca 0.10 -0.48 -0.27 0.00 -1.41 0.00 0.00 57.07 55.00 1shp s TYR 20 Cb -0.10 -0.79 -0.00 0.00 -1.10 0.00 0.00 41.96 39.97 1shp s TYR 20 CO 0.01 0.15 1.61 0.12 -2.51 0.00 0.00 175.55 174.93 1shp s PHE 21 N -1.63 2.01 -0.48 -3.49 2.19 -1.26 -0.63 117.98 114.68 1shp s PHE 21 Ca 0.06 0.58 -0.28 0.00 0.33 0.00 0.00 56.93 57.61 1shp s PHE 21 Cb -0.08 -4.26 -0.00 0.00 -1.31 0.00 0.00 43.02 37.37 1shp s PHE 21 CO 0.03 -2.25 1.63 0.34 1.83 0.00 0.00 175.22 176.81 1shp s ASP 22 N 5.82 5.88 0.00 6.13 -1.08 0.79 -4.73 116.67 129.49 1shp s ASP 22 Ca 0.61 0.67 0.29 0.00 -0.52 0.00 0.00 52.55 53.60 1shp s ASP 22 Cb -0.13 -2.54 1.36 0.00 -1.46 0.00 0.00 42.92 40.15 1shp s ASP 22 CO 0.25 -1.83 1.96 -0.24 0.52 0.00 0.00 175.17 175.83 1shp n SER 23 N 10.44 0.09 -0.05 -0.34 2.88 -1.26 0.50 113.62 125.88 1shp n SER 23 Ca 0.18 -0.04 -0.14 0.00 -1.33 0.00 0.00 58.87 57.54 1shp n SER 23 Cb 0.49 -0.28 -0.12 0.00 -0.75 0.00 0.00 64.21 63.55 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 0.09 0.00 0.00 -1.46 4.39 -1.93 -3.32 114.58 112.35 1shp h GLU 24 Ca 0.00 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1shp h GLU 24 Cb 0.36 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1shp h GLU 24 CO 0.00 0.81 -0.57 0.25 -1.16 0.00 0.00 179.01 178.34 1shp n THR 25 N -4.70 0.18 -2.82 1.13 -2.24 -1.20 -4.97 114.28 99.65 1shp n THR 25 Ca -0.09 -0.15 -0.12 0.00 -2.27 0.00 0.00 64.05 61.42 1shp n THR 25 Cb 0.39 0.03 0.03 0.00 -2.10 0.00 0.00 70.33 68.68 1shp n THR 25 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1shp n GLY 26 N 1.41 0.11 2.87 3.38 0.00 0.18 -5.02 105.19 108.13 1shp n GLY 26 Ca 0.04 -0.26 -0.15 0.00 0.00 0.00 0.00 46.02 45.65 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 -5.36 0.24 0.04 1.61 1.02 0.16 -4.94 119.74 112.52 1shp s LYS 27 Ca 0.22 -0.02 -0.30 0.00 0.02 0.00 0.00 55.97 55.89 1shp s LYS 27 Cb -0.10 -0.32 -0.07 0.00 -0.52 0.00 0.00 37.83 36.82 1shp s LYS 27 CO 0.27 -0.03 1.61 0.00 -0.92 0.00 0.00 175.35 176.28 1shp s THR 29 N 2.77 -0.01 0.70 0.00 2.01 0.19 -4.90 115.64 116.41 1shp s THR 29 Ca 0.72 0.02 -0.13 0.00 0.31 0.00 0.00 61.69 62.61 1shp s THR 29 Cb -0.38 -0.08 0.02 0.00 0.01 0.00 0.00 72.50 72.07 1shp s THR 29 CO 0.31 0.01 1.10 -2.16 -0.69 0.00 0.00 174.62 173.19 1shp s PRO 30 N 0.14 2.63 0.10 4.92 0.04 -1.26 -0.62 135.00 140.94 1shp s PRO 30 Ca -0.01 1.30 -0.20 0.00 0.04 0.00 0.00 61.00 62.13 1shp s PRO 30 Cb -0.02 -1.93 0.05 0.00 0.04 0.00 0.00 34.50 32.64 1shp s PRO 30 CO -0.00 -1.37 0.49 -0.59 0.04 0.00 0.00 177.00 175.56 1shp s PHE 31 N -2.56 -0.36 -0.33 0.56 -0.71 0.68 -4.78 117.98 110.47 1shp s PHE 31 Ca 0.65 0.22 -0.19 0.00 -1.04 0.00 0.00 56.93 56.57 1shp s PHE 31 Cb -0.19 0.36 -0.01 0.00 -1.21 0.00 0.00 43.02 41.97 1shp s PHE 31 CO 0.47 -0.71 0.54 0.42 -1.34 0.00 0.00 175.22 174.60 1shp s ILE 32 N -3.24 5.00 -0.04 -4.49 1.09 -1.26 -0.51 121.20 117.75 1shp s ILE 32 Ca -0.01 0.55 -0.24 0.00 -1.10 0.00 0.00 60.65 59.85 1shp s ILE 32 Cb 0.00 -3.95 -0.04 0.00 -1.06 0.00 0.00 42.46 37.41 1shp s ILE 32 CO -0.08 -0.16 0.71 -0.47 -0.10 0.00 0.00 174.94 174.84 1shp s TYR 33 N 2.45 3.62 -0.54 3.97 5.04 0.50 -3.99 117.35 128.40 1shp s TYR 33 Ca 0.21 1.30 0.15 0.00 -2.44 0.00 0.00 57.07 56.28 1shp s TYR 33 Cb -0.15 -2.80 0.78 0.00 0.35 0.00 0.00 41.96 40.14 1shp s TYR 33 CO 0.13 0.14 1.70 0.41 -1.34 0.00 0.00 175.55 176.58 1shp n GLY 34 N 2.92 2.88 4.60 8.97 0.00 0.31 -0.64 105.19 124.22 1shp n GLY 34 Ca -0.02 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.11 1shp n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1shp n GLY 35 N 0.78 1.62 3.56 -0.02 0.00 -1.26 -3.79 105.19 106.08 1shp n GLY 35 Ca 0.27 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 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 0.09 0.29 2.33 0.00 0.00 -1.26 -4.09 105.19 102.54 1shp n GLY 37 Ca 0.04 -0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.17 4.35 3.92 -0.02 0.00 -1.26 -4.79 105.19 106.23 1shp n GLY 38 Ca 0.00 -1.65 -0.28 0.00 0.00 0.00 0.00 46.02 44.09 1shp n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1shp s ASN 39 N 1.46 4.02 0.39 1.61 2.20 -1.26 -5.00 114.94 118.35 1shp s ASN 39 Ca 0.64 0.46 0.21 0.00 -0.94 0.00 0.00 52.86 53.23 1shp s ASN 39 Cb 0.22 -0.80 0.56 0.00 -2.00 0.00 0.00 41.25 39.24 1shp s ASN 39 CO -0.08 -2.17 1.67 1.23 -2.94 0.00 0.00 177.10 174.82 1shp h GLY 40 N -1.17 0.00 -6.91 0.45 0.00 -1.90 -3.40 103.07 90.14 1shp h GLY 40 Ca -0.44 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 46.24 1shp h GLY 40 CO 0.53 0.00 2.41 -2.01 0.00 0.00 0.00 176.54 177.47 1shp n ASN 41 N -3.27 3.92 -3.30 0.19 2.85 -1.25 -4.77 115.26 109.62 1shp n ASN 41 Ca 0.01 -2.82 -0.10 0.00 -0.11 0.00 0.00 54.58 51.56 1shp n ASN 41 Cb 0.54 -1.62 -0.06 0.00 1.24 0.00 0.00 39.78 39.89 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 4.27 0.33 0.09 1.20 2.47 -1.26 -4.43 114.94 117.61 1shp s ASN 42 Ca 0.54 -0.72 0.08 0.00 0.42 0.00 0.00 52.86 53.19 1shp s ASN 42 Cb 0.09 1.08 -0.03 0.00 -1.45 0.00 0.00 41.25 40.94 1shp s ASN 42 CO 0.03 -0.31 -0.22 -0.36 -3.72 0.00 0.00 177.10 172.53 1shp s PHE 43 N 2.20 1.86 0.07 0.43 0.08 0.63 -4.95 117.98 118.29 1shp s PHE 43 Ca 0.12 -0.40 0.13 0.00 0.12 0.00 0.00 56.93 56.90 1shp s PHE 43 Cb -0.12 -1.04 0.16 0.00 -0.57 0.00 0.00 43.02 41.45 1shp s PHE 43 CO -0.21 0.19 1.49 1.49 -0.10 0.00 0.00 175.22 178.07 1shp h GLU 44 N 4.29 0.00 -4.59 0.44 4.22 -1.92 0.26 114.58 117.28 1shp h GLU 44 Ca -0.46 0.00 -0.22 0.00 0.08 0.00 0.00 59.36 58.76 1shp h GLU 44 Cb 1.17 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.27 1shp h GLU 44 CO 0.41 0.64 -0.67 0.95 -2.18 0.00 0.00 179.01 178.16 1shp s THR 45 N -3.13 0.50 0.21 0.32 -4.23 -1.26 -4.61 115.64 103.43 1shp s THR 45 Ca 0.01 -1.92 -0.13 0.00 -1.18 0.00 0.00 61.69 58.47 1shp s THR 45 Cb 0.10 -1.87 0.20 0.00 1.34 0.00 0.00 72.50 72.27 1shp s THR 45 CO 0.76 -0.69 1.65 0.25 -0.54 0.00 0.00 174.62 176.04 1shp h LEU 46 N 2.89 -0.43 -0.64 4.79 5.85 -1.94 -0.07 115.31 125.76 1shp h LEU 46 Ca -0.35 0.17 0.13 0.00 0.84 0.00 0.00 57.88 58.66 1shp h LEU 46 Cb 1.18 0.32 -0.12 0.00 0.37 0.00 0.00 40.66 42.41 1shp h LEU 46 CO 0.63 -0.16 -0.18 -0.74 -0.34 0.00 0.00 178.44 177.64 1shp h HIS 47 N 0.04 -0.42 0.18 1.25 2.76 -1.98 0.17 115.15 117.16 1shp h HIS 47 Ca 0.30 0.06 -0.01 0.00 -2.20 0.00 0.00 60.37 58.52 1shp h HIS 47 Cb 0.47 0.28 0.00 0.00 1.55 0.00 0.00 27.41 29.71 1shp h HIS 47 CO -0.43 -0.30 -0.09 1.96 -1.30 0.00 0.00 177.93 177.78 1shp h GLN 48 N -0.02 -0.23 -0.62 5.26 4.20 -1.76 0.98 115.11 122.92 1shp h GLN 48 Ca 0.30 0.02 0.12 0.00 0.06 0.00 0.00 58.65 59.15 1shp h GLN 48 Cb 0.49 0.05 -0.12 0.00 0.30 0.00 0.00 27.48 28.21 1shp h GLN 48 CO -0.67 0.08 -0.13 0.00 -0.67 0.00 0.00 178.83 177.44 1shp h ARG 50 N 0.01 -0.50 -1.01 0.00 2.43 -0.62 -0.76 114.38 113.93 1shp h ARG 50 Ca 0.30 0.03 0.10 0.00 -0.81 0.00 0.00 59.98 59.60 1shp h ARG 50 Cb 0.46 0.11 -0.08 0.00 -0.42 0.00 0.00 29.97 30.05 1shp h ARG 50 CO -0.62 -0.34 0.64 0.00 -1.51 0.00 0.00 179.97 178.15 1shp h ALA 51 N -1.48 1.48 0.06 2.80 0.00 -0.13 0.19 119.26 122.17 1shp h ALA 51 Ca -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1shp h ALA 51 Cb 0.43 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1shp h ALA 51 CO 0.02 0.31 -0.03 0.82 0.00 0.00 0.00 179.25 180.37 1shp h ILE 52 N 1.07 1.24 0.05 0.00 5.03 -0.78 -3.40 117.51 120.72 1shp h ILE 52 Ca 0.48 -1.47 -0.07 0.00 -0.12 0.00 0.00 64.86 63.68 1shp h ILE 52 Cb 0.37 2.14 0.01 0.00 -3.03 0.00 0.00 36.82 36.30 1shp h ILE 52 CO -0.23 0.34 -0.31 0.00 -0.68 0.00 0.00 178.15 177.27 1shp n ARG 54 N -4.43 2.81 0.00 0.00 1.85 0.63 -5.01 116.66 112.51 1shp n ARG 54 Ca -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.74 1shp n ARG 54 Cb 0.60 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.01 1shp n ARG 54 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62