#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 0.20 -0.59 0.44 3.07 -1.97 -0.10 117.51 118.56 1shp h ILE 2 Ca 0.00 -0.01 0.18 0.00 1.55 0.00 0.00 64.86 66.58 1shp h ILE 2 Cb 0.00 0.16 -0.11 0.00 -0.27 0.00 0.00 36.82 36.60 1shp h ILE 2 CO 0.00 0.01 0.07 0.00 -1.05 0.00 0.00 178.15 177.18 1shp h SER 4 N 0.00 0.00 -4.24 0.00 0.02 -1.37 -3.43 113.55 104.53 1shp h SER 4 Ca 0.39 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.81 1shp h SER 4 Cb 0.86 0.00 0.17 0.00 0.14 0.00 0.00 62.40 63.57 1shp h SER 4 CO -0.54 0.06 0.30 -1.61 -1.14 0.00 0.00 176.83 173.90 1shp s GLU 5 N -3.58 1.64 0.59 3.45 2.02 -0.61 -5.04 118.70 117.16 1shp s GLU 5 Ca 0.02 1.56 -0.04 0.00 0.02 0.00 0.00 54.97 56.53 1shp s GLU 5 Cb 0.09 -1.80 0.02 0.00 0.10 0.00 0.00 34.13 32.54 1shp s GLU 5 CO 0.59 -2.17 0.87 -1.25 0.02 0.00 0.00 175.26 173.32 1shp s PRO 6 N -4.42 2.73 0.09 0.39 0.04 -1.26 -4.74 135.00 127.82 1shp s PRO 6 Ca 0.68 -0.26 -0.36 0.00 0.04 0.00 0.00 61.00 61.10 1shp s PRO 6 Cb -0.24 -2.33 -0.18 0.00 0.04 0.00 0.00 34.50 31.79 1shp s PRO 6 CO 0.53 -0.75 1.13 1.17 0.04 0.00 0.00 177.00 179.12 1shp n LYS 7 N -2.54 0.64 -3.18 4.56 4.81 -1.26 -4.80 118.16 116.40 1shp n LYS 7 Ca 0.05 0.23 0.01 0.00 -0.87 0.00 0.00 58.31 57.74 1shp n LYS 7 Cb 0.59 -1.73 -0.01 0.00 0.02 0.00 0.00 35.03 33.89 1shp n LYS 7 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1shp s LYS 8 N -0.04 0.56 0.23 1.64 2.20 -1.26 -5.06 119.74 118.01 1shp s LYS 8 Ca 0.82 0.39 -0.06 0.00 -0.36 0.00 0.00 55.97 56.76 1shp s LYS 8 Cb -1.04 0.13 0.33 0.00 -1.51 0.00 0.00 37.83 35.75 1shp s LYS 8 CO 0.53 -1.06 1.81 0.28 -0.36 0.00 0.00 175.35 176.54 1shp h VAL 9 N 5.93 0.93 0.00 4.02 2.07 -1.93 -3.44 116.25 123.83 1shp h VAL 9 Ca -0.02 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1shp h VAL 9 Cb 1.18 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1shp h VAL 9 CO 0.17 0.14 0.00 0.61 0.02 0.00 0.00 177.57 178.50 1shp n GLY 10 N -1.31 0.67 2.05 2.17 0.00 -1.26 -0.57 105.19 106.94 1shp n GLY 10 Ca 0.12 -1.62 -0.15 0.00 0.00 0.00 0.00 46.02 44.37 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 0.91 2.14 -3.99 1.61 1.85 -1.26 -4.64 116.66 113.29 1shp n ARG 11 Ca 0.00 -1.17 -0.13 0.00 -1.00 0.00 0.00 57.85 55.55 1shp n ARG 11 Cb 0.00 -2.06 -0.14 0.00 -1.05 0.00 0.00 32.46 29.21 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 2.73 3.13 -2.99 0.00 4.81 -1.26 -4.51 118.16 120.07 1shp n LYS 13 Ca -0.15 -2.23 -0.18 0.00 -0.87 0.00 0.00 58.31 54.88 1shp n LYS 13 Cb 0.58 -2.37 0.03 0.00 0.02 0.00 0.00 35.03 33.29 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 1.21 1.86 -0.44 3.14 0.00 -1.19 -5.09 107.32 106.81 1shp s GLY 14 Ca 0.62 -1.82 0.04 0.00 0.00 0.00 0.00 44.72 43.56 1shp s GLY 14 CO -0.10 -1.53 0.37 2.98 0.00 0.00 0.00 173.10 174.82 1shp n TYR 15 N -2.03 -0.43 -3.93 1.90 9.36 -1.26 -4.50 117.16 116.28 1shp n TYR 15 Ca 0.11 -3.43 -0.34 0.00 3.32 0.00 0.00 57.90 57.56 1shp n TYR 15 Cb 0.60 0.14 -0.14 0.00 -0.63 0.00 0.00 39.34 39.31 1shp n TYR 15 CO 0.00 0.00 0.00 -0.06 0.22 0.00 0.00 176.86 177.02 1shp s PHE 16 N -0.17 3.38 0.24 2.98 0.40 0.09 -4.99 117.98 119.90 1shp s PHE 16 Ca 0.32 -2.18 -0.30 0.00 -0.60 0.00 0.00 56.93 54.17 1shp s PHE 16 Cb 0.04 -2.34 -0.10 0.00 0.51 0.00 0.00 43.02 41.12 1shp s PHE 16 CO -0.19 -0.86 1.50 -1.25 0.70 0.00 0.00 175.22 175.11 1shp s PRO 17 N 1.16 4.23 0.32 0.24 0.04 -1.26 -0.35 135.00 139.38 1shp s PRO 17 Ca -0.02 2.37 0.03 0.00 0.04 0.00 0.00 61.00 63.42 1shp s PRO 17 Cb -0.20 -3.10 -0.05 0.00 0.04 0.00 0.00 34.50 31.19 1shp s PRO 17 CO -0.03 -0.50 0.10 1.03 0.04 0.00 0.00 177.00 177.64 1shp s ARG 18 N -0.08 1.63 0.00 4.56 1.81 0.23 -4.84 118.95 122.26 1shp s ARG 18 Ca 0.62 -1.92 0.02 0.00 -1.72 0.00 0.00 55.73 52.73 1shp s ARG 18 Cb -0.43 -0.52 -0.04 0.00 -0.45 0.00 0.00 34.95 33.51 1shp s ARG 18 CO 0.42 -0.32 -0.03 -0.06 -0.68 0.00 0.00 175.30 174.63 1shp s PHE 19 N -3.46 3.00 0.17 -0.53 0.40 0.79 -0.28 117.98 118.06 1shp s PHE 19 Ca 0.34 0.03 0.04 0.00 -0.60 0.00 0.00 56.93 56.75 1shp s PHE 19 Cb 0.07 -1.64 -0.05 0.00 0.51 0.00 0.00 43.02 41.91 1shp s PHE 19 CO 0.15 0.43 -0.08 1.52 0.70 0.00 0.00 175.22 177.94 1shp s TYR 20 N -1.06 1.35 -0.51 0.36 1.13 0.56 -0.34 117.35 118.84 1shp s TYR 20 Ca 0.19 -0.78 -0.28 0.00 -1.41 0.00 0.00 57.07 54.79 1shp s TYR 20 Cb -0.11 -0.71 -0.00 0.00 -1.10 0.00 0.00 41.96 40.04 1shp s TYR 20 CO 0.09 0.07 1.59 0.12 -2.51 0.00 0.00 175.55 174.91 1shp s PHE 21 N -3.33 2.07 -0.18 -3.49 5.36 -1.26 -0.72 117.98 116.43 1shp s PHE 21 Ca 0.19 0.59 -0.29 0.00 -0.96 0.00 0.00 56.93 56.46 1shp s PHE 21 Cb 0.03 -4.27 -0.02 0.00 -0.34 0.00 0.00 43.02 38.42 1shp s PHE 21 CO 0.03 -2.24 1.37 0.34 -1.46 0.00 0.00 175.22 173.26 1shp s ASP 22 N 5.50 6.79 0.14 6.13 -1.08 0.53 -4.72 116.67 129.95 1shp s ASP 22 Ca 0.62 1.68 0.16 0.00 -0.52 0.00 0.00 52.55 54.49 1shp s ASP 22 Cb -0.14 -2.54 -0.06 0.00 -1.46 0.00 0.00 42.92 38.72 1shp s ASP 22 CO 0.26 -0.90 1.06 -1.28 0.52 0.00 0.00 175.17 174.84 1shp h SER 23 N 8.89 0.00 -0.55 -0.34 0.87 -1.91 0.34 113.55 120.86 1shp h SER 23 Ca -0.29 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.25 1shp h SER 23 Cb 1.12 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.05 1shp h SER 23 CO 0.98 0.54 0.29 -0.33 -0.53 0.00 0.00 176.83 177.78 1shp h GLU 24 N 0.00 0.78 0.03 2.24 3.07 -1.95 -2.94 114.58 115.81 1shp h GLU 24 Ca -0.10 -0.10 -0.37 0.00 -0.50 0.00 0.00 59.36 58.29 1shp h GLU 24 Cb 1.50 -0.15 -0.05 0.00 -0.84 0.00 0.00 28.75 29.21 1shp h GLU 24 CO 0.05 0.62 -2.24 0.25 -1.40 0.00 0.00 179.01 176.29 1shp n THR 25 N -4.59 1.56 -1.58 1.13 -2.24 -1.26 -5.05 114.28 102.26 1shp n THR 25 Ca 0.03 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 1shp n THR 25 Cb 0.10 -1.25 0.00 0.00 -2.10 0.00 0.00 70.33 67.08 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 1.99 0.51 3.13 3.38 0.00 0.96 -5.10 105.19 110.07 1shp n GLY 26 Ca -0.36 -0.39 -0.12 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.96 0.45 -0.03 1.61 3.01 0.19 -4.98 119.74 117.04 1shp s LYS 27 Ca 0.00 -0.15 -0.30 0.00 -1.01 0.00 0.00 55.97 54.51 1shp s LYS 27 Cb 0.00 0.20 -0.05 0.00 -1.01 0.00 0.00 37.83 36.96 1shp s LYS 27 CO 0.00 -0.10 1.47 0.00 0.51 0.00 0.00 175.35 177.23 1shp s THR 29 N 2.99 0.06 0.51 0.00 2.01 0.11 -4.91 115.64 116.41 1shp s THR 29 Ca 0.66 -0.51 -0.19 0.00 0.31 0.00 0.00 61.69 61.96 1shp s THR 29 Cb -0.31 -0.51 -0.07 0.00 0.01 0.00 0.00 72.50 71.61 1shp s THR 29 CO 0.26 -0.28 1.03 -2.16 -0.69 0.00 0.00 174.62 172.78 1shp s PRO 30 N -1.19 3.74 0.15 4.92 0.04 -1.26 -0.32 135.00 141.07 1shp s PRO 30 Ca -0.13 1.26 -0.12 0.00 0.04 0.00 0.00 61.00 62.06 1shp s PRO 30 Cb -0.06 -2.09 0.01 0.00 0.04 0.00 0.00 34.50 32.40 1shp s PRO 30 CO 0.03 -0.47 0.33 -0.59 0.04 0.00 0.00 177.00 176.33 1shp s PHE 31 N -2.18 0.15 -0.26 0.56 -0.71 0.61 -4.83 117.98 111.33 1shp s PHE 31 Ca 0.65 -0.52 -0.17 0.00 -1.04 0.00 0.00 56.93 55.85 1shp s PHE 31 Cb -0.15 0.08 -0.03 0.00 -1.21 0.00 0.00 43.02 41.71 1shp s PHE 31 CO 0.24 -0.72 0.46 0.42 -1.34 0.00 0.00 175.22 174.29 1shp s ILE 32 N -3.90 5.11 0.03 -4.49 1.09 -1.26 -0.60 121.20 117.18 1shp s ILE 32 Ca 0.11 0.77 -0.09 0.00 -1.10 0.00 0.00 60.65 60.34 1shp s ILE 32 Cb 0.03 -3.78 -0.05 0.00 -1.06 0.00 0.00 42.46 37.59 1shp s ILE 32 CO -0.05 0.12 0.33 -0.47 -0.10 0.00 0.00 174.94 174.77 1shp s TYR 33 N 2.18 3.60 -2.25 3.97 5.04 0.52 -4.53 117.35 125.89 1shp s TYR 33 Ca 0.19 0.71 0.28 0.00 -2.44 0.00 0.00 57.07 55.81 1shp s TYR 33 Cb -0.16 -2.09 1.35 0.00 0.35 0.00 0.00 41.96 41.42 1shp s TYR 33 CO 0.09 0.59 1.91 0.41 -1.34 0.00 0.00 175.55 177.21 1shp n GLY 34 N 1.17 -0.44 2.64 8.97 0.00 0.27 -0.73 105.19 117.07 1shp n GLY 34 Ca -0.11 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 1.07 0.52 0.00 -0.02 0.00 -1.26 -3.17 105.19 102.33 1shp n GLY 35 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 5.00 -0.88 7.00 0.00 0.00 -1.26 -4.90 105.19 110.15 1shp n GLY 37 Ca 0.00 0.81 0.00 0.00 0.00 0.00 0.00 46.02 46.83 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 -1.31 2.44 0.00 -0.02 0.00 -1.26 -4.99 105.19 100.05 1shp n GLY 38 Ca 0.32 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 1.05 0.00 0.01 1.61 6.94 -1.26 -4.84 115.26 118.77 1shp n ASN 39 Ca 0.00 -0.05 -0.18 0.00 -0.02 0.00 0.00 54.58 54.33 1shp n ASN 39 Cb 0.00 0.00 -0.12 0.00 -2.36 0.00 0.00 39.78 37.30 1shp n ASN 39 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 1shp h GLY 40 N 0.00 0.45 -5.80 4.83 0.00 -1.94 -3.36 103.07 97.25 1shp h GLY 40 Ca 0.00 -0.84 -0.57 0.00 0.00 0.00 0.00 47.33 45.93 1shp h GLY 40 CO 0.00 0.74 2.80 -2.01 0.00 0.00 0.00 176.54 178.06 1shp n ASN 41 N -4.19 4.56 -2.78 0.19 2.85 -1.22 -4.54 115.26 110.14 1shp n ASN 41 Ca -0.11 -2.56 -0.07 0.00 -0.11 0.00 0.00 54.58 51.73 1shp n ASN 41 Cb 0.71 -1.27 0.03 0.00 1.24 0.00 0.00 39.78 40.49 1shp n ASN 41 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1shp n ASN 42 N 5.49 -3.02 -4.85 1.20 5.15 -1.26 -4.60 115.26 113.36 1shp n ASN 42 Ca 0.53 -3.12 -0.27 0.00 -0.60 0.00 0.00 54.58 51.12 1shp n ASN 42 Cb 0.28 1.70 -0.05 0.00 -0.53 0.00 0.00 39.78 41.18 1shp n ASN 42 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1shp s PHE 43 N 0.71 3.30 0.09 1.20 0.08 0.54 -4.93 117.98 118.96 1shp s PHE 43 Ca 0.31 0.07 -0.21 0.00 0.12 0.00 0.00 56.93 57.22 1shp s PHE 43 Cb 0.13 -1.60 -0.11 0.00 -0.57 0.00 0.00 43.02 40.86 1shp s PHE 43 CO -0.16 0.53 1.66 1.49 -0.10 0.00 0.00 175.22 178.63 1shp h GLU 44 N 2.55 0.17 -5.13 0.44 4.57 -1.93 0.23 114.58 115.47 1shp h GLU 44 Ca -0.47 -0.02 -0.35 0.00 -1.18 0.00 0.00 59.36 57.33 1shp h GLU 44 Cb 1.19 -0.03 -0.14 0.00 -0.16 0.00 0.00 28.75 29.60 1shp h GLU 44 CO 0.67 0.23 -0.71 0.95 -1.18 0.00 0.00 179.01 178.97 1shp s THR 45 N -5.74 1.22 0.18 0.32 -4.23 -1.26 -3.87 115.64 102.25 1shp s THR 45 Ca -0.14 -2.08 -0.15 0.00 -1.18 0.00 0.00 61.69 58.15 1shp s THR 45 Cb 0.07 -1.97 0.12 0.00 1.34 0.00 0.00 72.50 72.06 1shp s THR 45 CO 0.69 -0.65 1.67 0.25 -0.54 0.00 0.00 174.62 176.04 1shp h LEU 46 N 2.69 -0.33 -0.85 4.79 5.85 -1.93 -2.30 115.31 123.23 1shp h LEU 46 Ca -0.37 0.13 0.16 0.00 0.84 0.00 0.00 57.88 58.63 1shp h LEU 46 Cb 1.20 0.25 -0.15 0.00 0.37 0.00 0.00 40.66 42.32 1shp h LEU 46 CO 0.64 -0.12 -0.29 -0.74 -0.34 0.00 0.00 178.44 177.59 1shp h HIS 47 N 0.04 -0.72 0.62 1.25 2.76 -1.98 0.31 115.15 117.43 1shp h HIS 47 Ca 0.23 0.08 -0.03 0.00 -2.20 0.00 0.00 60.37 58.45 1shp h HIS 47 Cb 0.34 0.44 0.01 0.00 1.55 0.00 0.00 27.41 29.75 1shp h HIS 47 CO -0.35 -0.38 -0.30 1.96 -1.30 0.00 0.00 177.93 177.55 1shp h GLN 48 N -0.03 -0.81 -0.93 5.26 4.20 -1.85 0.60 115.11 121.55 1shp h GLN 48 Ca 0.36 0.05 0.15 0.00 0.06 0.00 0.00 58.65 59.28 1shp h GLN 48 Cb 0.61 0.18 -0.09 0.00 0.30 0.00 0.00 27.48 28.48 1shp h GLN 48 CO -0.88 -0.51 0.54 0.00 -0.67 0.00 0.00 178.83 177.31 1shp h ARG 50 N 0.77 -1.12 -0.58 0.00 9.65 -0.29 -0.72 114.38 122.10 1shp h ARG 50 Ca 0.50 0.08 0.01 0.00 -1.10 0.00 0.00 59.98 59.47 1shp h ARG 50 Cb 0.66 0.25 -0.03 0.00 -1.39 0.00 0.00 29.97 29.47 1shp h ARG 50 CO -0.33 -0.75 0.38 0.00 2.80 0.00 0.00 179.97 182.07 1shp h ALA 51 N -1.39 0.74 -0.44 2.80 0.00 -0.49 -2.21 119.26 118.28 1shp h ALA 51 Ca -0.12 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 1shp h ALA 51 Cb 0.89 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1shp h ALA 51 CO 0.19 0.16 -0.23 0.82 0.00 0.00 0.00 179.25 180.19 1shp h ILE 52 N 0.77 1.27 0.00 0.00 2.04 -0.64 -3.46 117.51 117.50 1shp h ILE 52 Ca 0.22 -1.39 0.00 0.00 1.00 0.00 0.00 64.86 64.69 1shp h ILE 52 Cb -0.07 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 1shp h ILE 52 CO -0.06 0.47 0.00 0.00 0.00 0.00 0.00 178.15 178.56 1shp n ARG 54 N -2.47 3.46 0.00 0.00 3.00 -0.53 -4.96 116.66 115.16 1shp n ARG 54 Ca 0.00 -2.76 0.10 0.00 -0.00 0.00 0.00 57.85 55.19 1shp n ARG 54 Cb 0.00 -3.00 0.59 0.00 0.00 0.00 0.00 32.46 30.05 1shp n ARG 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63