#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 0.37 -0.66 2.46 -2.65 -1.98 -0.81 117.51 114.25 1shp h ILE 2 Ca 0.00 0.00 0.19 0.00 1.03 0.00 0.00 64.86 66.08 1shp h ILE 2 Cb 0.00 0.77 -0.12 0.00 -2.05 0.00 0.00 36.82 35.42 1shp h ILE 2 CO 0.00 0.00 0.05 0.00 0.03 0.00 0.00 178.15 178.23 1shp h SER 4 N 0.00 0.00 -4.02 0.00 0.87 -1.44 -3.37 113.55 105.59 1shp h SER 4 Ca 0.42 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.45 1shp h SER 4 Cb 0.89 0.00 0.09 0.00 -0.44 0.00 0.00 62.40 62.95 1shp h SER 4 CO -0.60 0.14 0.54 -1.61 -0.53 0.00 0.00 176.83 174.77 1shp s GLU 5 N -3.57 3.51 0.90 2.24 2.02 -0.08 -4.81 118.70 118.91 1shp s GLU 5 Ca 0.02 1.99 -0.12 0.00 0.02 0.00 0.00 54.97 56.87 1shp s GLU 5 Cb 0.09 -2.37 0.13 0.00 0.10 0.00 0.00 34.13 32.09 1shp s GLU 5 CO 0.61 -0.81 1.14 -1.25 0.02 0.00 0.00 175.26 174.97 1shp s PRO 6 N -2.76 1.22 0.43 0.39 0.04 -1.26 -4.62 135.00 128.44 1shp s PRO 6 Ca 0.66 0.28 -0.25 0.00 0.04 0.00 0.00 61.00 61.74 1shp s PRO 6 Cb -0.34 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.26 1shp s PRO 6 CO 0.41 -2.14 1.25 1.17 0.04 0.00 0.00 177.00 177.73 1shp n LYS 7 N -3.73 1.86 -3.41 4.56 4.81 -1.26 -4.95 118.16 116.05 1shp n LYS 7 Ca 0.07 0.66 -0.18 0.00 -0.87 0.00 0.00 58.31 57.99 1shp n LYS 7 Cb 0.59 -2.37 -0.10 0.00 0.02 0.00 0.00 35.03 33.17 1shp n LYS 7 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1shp s LYS 8 N -2.25 0.35 0.14 1.64 1.02 -1.26 -5.01 119.74 114.35 1shp s LYS 8 Ca 0.62 -0.24 -0.13 0.00 0.02 0.00 0.00 55.97 56.24 1shp s LYS 8 Cb -0.50 -0.70 -0.01 0.00 -0.52 0.00 0.00 37.83 36.10 1shp s LYS 8 CO 0.57 -1.05 1.55 0.28 -0.92 0.00 0.00 175.35 175.78 1shp h VAL 9 N 6.15 1.27 -0.98 3.17 2.07 -1.85 -3.40 116.25 122.69 1shp h VAL 9 Ca -0.12 -1.19 0.11 0.00 0.82 0.00 0.00 66.70 66.32 1shp h VAL 9 Cb 1.07 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 1shp h VAL 9 CO 0.33 0.41 -0.14 0.61 0.02 0.00 0.00 177.57 178.79 1shp n GLY 10 N -0.22 -2.08 2.20 2.17 0.00 -1.26 -4.30 105.19 101.70 1shp n GLY 10 Ca -0.01 -1.39 -0.28 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.82 3.02 -3.96 1.61 1.85 -1.26 -4.79 116.66 111.31 1shp n ARG 11 Ca 0.00 -1.80 -0.10 0.00 -1.00 0.00 0.00 57.85 54.96 1shp n ARG 11 Cb 0.18 -2.44 -0.07 0.00 -1.05 0.00 0.00 32.46 29.08 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 -0.22 0.04 -2.36 0.00 5.02 -1.23 -4.68 118.16 114.73 1shp n LYS 13 Ca -0.07 -1.10 -0.37 0.00 -2.02 0.00 0.00 58.31 54.74 1shp n LYS 13 Cb 0.63 -0.50 -0.02 0.00 -0.02 0.00 0.00 35.03 35.11 1shp n LYS 13 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1shp s GLY 14 N -1.11 2.81 -1.38 0.72 0.00 0.46 -4.90 107.32 103.93 1shp s GLY 14 Ca 0.03 0.88 -0.14 0.00 0.00 0.00 0.00 44.72 45.48 1shp s GLY 14 CO -0.01 1.36 2.00 2.98 0.00 0.00 0.00 173.10 179.43 1shp n TYR 15 N -0.10 3.85 -3.40 1.90 9.36 -1.26 -2.81 117.16 124.69 1shp n TYR 15 Ca 0.05 -2.94 -0.45 0.00 3.32 0.00 0.00 57.90 57.88 1shp n TYR 15 Cb 0.48 -2.47 -0.04 0.00 -0.63 0.00 0.00 39.34 36.68 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 2.97 3.67 0.27 2.98 0.08 -1.26 -5.01 117.98 121.68 1shp s PHE 16 Ca 0.48 -2.09 -0.30 0.00 0.12 0.00 0.00 56.93 55.14 1shp s PHE 16 Cb 0.10 -3.70 -0.10 0.00 -0.57 0.00 0.00 43.02 38.75 1shp s PHE 16 CO -0.03 -0.96 1.41 -1.25 -0.10 0.00 0.00 175.22 174.29 1shp s PRO 17 N 0.20 4.28 0.33 0.24 0.04 -1.26 -0.48 135.00 138.36 1shp s PRO 17 Ca 0.17 2.29 0.07 0.00 0.04 0.00 0.00 61.00 63.57 1shp s PRO 17 Cb -0.13 -3.09 -0.03 0.00 0.04 0.00 0.00 34.50 31.28 1shp s PRO 17 CO -0.07 -0.37 0.29 1.03 0.04 0.00 0.00 177.00 177.92 1shp s ARG 18 N -0.80 1.77 0.08 4.56 1.81 0.43 -4.86 118.95 121.94 1shp s ARG 18 Ca 0.56 -2.01 0.09 0.00 -1.72 0.00 0.00 55.73 52.65 1shp s ARG 18 Cb -0.41 0.33 -0.03 0.00 -0.45 0.00 0.00 34.95 34.39 1shp s ARG 18 CO 0.47 -0.66 -0.23 -0.06 -0.68 0.00 0.00 175.30 174.13 1shp s PHE 19 N -3.41 2.00 0.14 -0.53 0.40 0.15 -0.40 117.98 116.33 1shp s PHE 19 Ca 0.40 -0.39 0.06 0.00 -0.60 0.00 0.00 56.93 56.40 1shp s PHE 19 Cb 0.02 -1.14 -0.04 0.00 0.51 0.00 0.00 43.02 42.37 1shp s PHE 19 CO 0.28 0.18 -0.14 1.52 0.70 0.00 0.00 175.22 177.75 1shp s TYR 20 N -0.95 1.49 -0.64 0.36 1.13 0.09 -0.24 117.35 118.58 1shp s TYR 20 Ca 0.09 -0.56 -0.27 0.00 -1.41 0.00 0.00 57.07 54.92 1shp s TYR 20 Cb -0.10 -0.76 0.01 0.00 -1.10 0.00 0.00 41.96 40.02 1shp s TYR 20 CO 0.03 0.19 1.48 0.12 -2.51 0.00 0.00 175.55 174.86 1shp s PHE 21 N -2.33 2.12 -0.68 -3.49 5.36 -1.26 -0.61 117.98 117.09 1shp s PHE 21 Ca 0.12 0.36 -0.26 0.00 -0.96 0.00 0.00 56.93 56.18 1shp s PHE 21 Cb -0.04 -4.40 -0.01 0.00 -0.34 0.00 0.00 43.02 38.23 1shp s PHE 21 CO 0.04 -2.11 1.73 0.34 -1.46 0.00 0.00 175.22 173.76 1shp s ASP 22 N 5.11 5.49 0.25 6.13 -1.08 0.11 -4.75 116.67 127.93 1shp s ASP 22 Ca 0.50 0.00 0.24 0.00 -0.52 0.00 0.00 52.55 52.77 1shp s ASP 22 Cb -0.10 -2.54 0.95 0.00 -1.46 0.00 0.00 42.92 39.76 1shp s ASP 22 CO 0.20 -2.27 1.73 -0.24 0.52 0.00 0.00 175.17 175.11 1shp n SER 23 N 12.02 0.70 -0.02 -0.34 2.88 -1.26 0.43 113.62 128.03 1shp n SER 23 Ca 0.19 0.65 -0.13 0.00 -1.33 0.00 0.00 58.87 58.25 1shp n SER 23 Cb 0.51 -0.81 -0.09 0.00 -0.75 0.00 0.00 64.21 63.07 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 0.00 0.09 0.00 -1.46 4.39 -1.94 -3.12 114.58 112.55 1shp h GLU 24 Ca 0.00 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1shp h GLU 24 Cb 0.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1shp h GLU 24 CO 0.00 0.53 -0.37 1.79 -1.16 0.00 0.00 179.01 179.80 1shp h THR 25 N -0.34 0.00 -1.78 1.13 1.35 -1.95 -3.48 112.91 107.85 1shp h THR 25 Ca 0.01 -0.95 -0.14 0.00 -0.55 0.00 0.00 66.41 64.77 1shp h THR 25 Cb 0.51 1.77 0.02 0.00 -1.73 0.00 0.00 68.15 68.71 1shp h THR 25 CO 0.01 0.00 -0.21 0.61 -0.25 0.00 0.00 175.52 175.68 1shp n GLY 26 N 1.15 0.22 3.13 5.82 0.00 0.17 -5.04 105.19 110.64 1shp n GLY 26 Ca 0.03 -0.48 -0.25 0.00 0.00 0.00 0.00 46.02 45.32 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 -4.85 1.61 0.10 1.61 1.02 0.03 -4.95 119.74 114.30 1shp s LYS 27 Ca 0.09 -0.58 -0.31 0.00 0.02 0.00 0.00 55.97 55.19 1shp s LYS 27 Cb -0.04 -1.44 -0.09 0.00 -0.52 0.00 0.00 37.83 35.73 1shp s LYS 27 CO 0.11 0.26 1.78 0.00 -0.92 0.00 0.00 175.35 176.58 1shp s THR 29 N 2.86 -0.01 0.66 0.00 2.01 0.22 -4.89 115.64 116.49 1shp s THR 29 Ca 0.79 0.05 -0.15 0.00 0.31 0.00 0.00 61.69 62.69 1shp s THR 29 Cb -0.43 -0.10 -0.00 0.00 0.01 0.00 0.00 72.50 71.97 1shp s THR 29 CO 0.35 0.02 1.11 -2.16 -0.69 0.00 0.00 174.62 173.25 1shp s PRO 30 N 0.28 2.81 0.09 4.92 0.04 -1.26 -0.74 135.00 141.15 1shp s PRO 30 Ca -0.02 1.37 -0.17 0.00 0.04 0.00 0.00 61.00 62.22 1shp s PRO 30 Cb -0.03 -1.95 0.04 0.00 0.04 0.00 0.00 34.50 32.59 1shp s PRO 30 CO -0.01 -1.24 0.41 -0.59 0.04 0.00 0.00 177.00 175.61 1shp s PHE 31 N -2.37 -0.23 -0.25 0.56 -0.71 0.46 -4.79 117.98 110.65 1shp s PHE 31 Ca 0.67 0.03 -0.19 0.00 -1.04 0.00 0.00 56.93 56.39 1shp s PHE 31 Cb -0.20 0.24 -0.02 0.00 -1.21 0.00 0.00 43.02 41.83 1shp s PHE 31 CO 0.42 -0.65 0.59 0.42 -1.34 0.00 0.00 175.22 174.66 1shp s ILE 32 N -3.26 5.02 -1.31 -4.49 1.09 -1.26 -0.43 121.20 116.56 1shp s ILE 32 Ca -0.00 1.04 0.28 0.00 -1.10 0.00 0.00 60.65 60.87 1shp s ILE 32 Cb 0.01 -3.90 0.28 0.00 -1.06 0.00 0.00 42.46 37.79 1shp s ILE 32 CO -0.08 0.05 1.76 0.00 -0.10 0.00 0.00 174.94 176.57 1shp n TYR 33 N 5.62 0.00 0.00 3.97 9.36 0.37 -4.50 117.16 131.99 1shp n TYR 33 Ca -0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.20 1shp n TYR 33 Cb 0.49 -0.29 0.00 0.00 -0.63 0.00 0.00 39.34 38.92 1shp n TYR 33 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1shp n GLY 34 N 1.40 1.74 0.70 2.98 0.00 -1.12 -2.79 105.19 108.09 1shp n GLY 34 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 0.00 1.15 0.00 -0.02 0.00 -1.26 -0.40 105.19 104.66 1shp n GLY 35 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.36 7.00 0.00 0.00 -1.26 -4.91 105.19 109.66 1shp n GLY 37 Ca 0.00 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.67 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 -0.18 0.00 -0.02 0.00 -1.26 -5.06 105.19 97.50 1shp n GLY 38 Ca 0.02 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.88 0.00 0.06 1.61 6.94 -1.26 -5.03 115.26 115.71 1shp n ASN 39 Ca 0.00 -0.98 -0.21 0.00 -0.02 0.00 0.00 54.58 53.37 1shp n ASN 39 Cb 0.00 0.00 -0.13 0.00 -2.36 0.00 0.00 39.78 37.29 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 0.58 -6.01 4.83 0.00 -1.97 -3.36 103.07 97.15 1shp h GLY 40 Ca 0.00 -1.21 -0.61 0.00 0.00 0.00 0.00 47.33 45.51 1shp h GLY 40 CO 0.00 1.06 2.72 -2.01 0.00 0.00 0.00 176.54 178.31 1shp n ASN 41 N -3.96 3.91 -3.60 0.19 5.15 -1.26 -4.74 115.26 110.94 1shp n ASN 41 Ca -0.13 -2.64 -0.11 0.00 -0.60 0.00 0.00 54.58 51.10 1shp n ASN 41 Cb 0.88 -1.29 -0.11 0.00 -0.53 0.00 0.00 39.78 38.74 1shp n ASN 41 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1shp s ASN 42 N 3.97 0.15 -0.00 1.20 2.47 -1.26 -4.49 114.94 116.98 1shp s ASN 42 Ca 0.52 0.65 0.00 0.00 0.42 0.00 0.00 52.86 54.46 1shp s ASN 42 Cb 0.14 1.01 -0.00 0.00 -1.45 0.00 0.00 41.25 40.95 1shp s ASN 42 CO 0.02 -0.25 -0.02 -0.36 -3.72 0.00 0.00 177.10 172.77 1shp s PHE 43 N 2.51 0.14 0.31 0.43 0.08 0.67 -4.97 117.98 117.15 1shp s PHE 43 Ca 0.02 -0.03 0.01 0.00 0.12 0.00 0.00 56.93 57.06 1shp s PHE 43 Cb -0.13 -0.10 0.50 0.00 -0.57 0.00 0.00 43.02 42.73 1shp s PHE 43 CO -0.12 -0.00 1.86 1.49 -0.10 0.00 0.00 175.22 178.35 1shp h GLU 44 N 6.13 0.72 -5.20 0.44 4.81 -1.92 0.43 114.58 119.98 1shp h GLU 44 Ca -0.25 -0.14 -0.37 0.00 -0.13 0.00 0.00 59.36 58.47 1shp h GLU 44 Cb 1.20 -0.11 -0.18 0.00 0.63 0.00 0.00 28.75 30.29 1shp h GLU 44 CO 0.51 0.65 -0.75 0.95 -0.73 0.00 0.00 179.01 179.65 1shp s THR 45 N -5.17 1.15 0.23 0.32 -4.23 -1.26 -4.42 115.64 102.26 1shp s THR 45 Ca -0.09 -1.69 -0.06 0.00 -1.18 0.00 0.00 61.69 58.67 1shp s THR 45 Cb 0.16 -1.45 0.20 0.00 1.34 0.00 0.00 72.50 72.75 1shp s THR 45 CO 0.78 -0.49 1.71 0.25 -0.54 0.00 0.00 174.62 176.33 1shp h LEU 46 N 3.53 0.11 -0.65 4.79 5.85 -1.95 -0.25 115.31 126.74 1shp h LEU 46 Ca -0.39 0.12 0.11 0.00 0.84 0.00 0.00 57.88 58.57 1shp h LEU 46 Cb 1.19 0.14 -0.12 0.00 0.37 0.00 0.00 40.66 42.24 1shp h LEU 46 CO 0.52 0.03 -0.33 -0.74 -0.34 0.00 0.00 178.44 177.58 1shp h HIS 47 N 0.33 -0.89 0.33 1.25 2.76 -1.98 0.24 115.15 117.18 1shp h HIS 47 Ca 0.38 0.08 -0.02 0.00 -2.20 0.00 0.00 60.37 58.61 1shp h HIS 47 Cb 0.60 0.49 0.00 0.00 1.55 0.00 0.00 27.41 30.05 1shp h HIS 47 CO -0.22 -0.38 -0.16 1.96 -1.30 0.00 0.00 177.93 177.83 1shp h GLN 48 N -0.13 -0.42 -0.51 5.26 4.20 -1.72 0.43 115.11 122.22 1shp h GLN 48 Ca 0.25 0.03 0.10 0.00 0.06 0.00 0.00 58.65 59.10 1shp h GLN 48 Cb 0.55 0.10 -0.10 0.00 0.30 0.00 0.00 27.48 28.33 1shp h GLN 48 CO -0.72 -0.15 -0.14 0.00 -0.67 0.00 0.00 178.83 177.16 1shp h ARG 50 N -0.01 -1.07 -0.63 0.00 2.43 -0.52 0.74 114.38 115.32 1shp h ARG 50 Ca 0.24 0.07 0.14 0.00 -0.81 0.00 0.00 59.98 59.62 1shp h ARG 50 Cb 0.39 0.24 -0.04 0.00 -0.42 0.00 0.00 29.97 30.14 1shp h ARG 50 CO -0.53 -0.71 0.43 0.00 -1.51 0.00 0.00 179.97 177.64 1shp h ALA 51 N -1.23 2.22 0.00 2.80 0.00 -0.11 0.24 119.26 123.18 1shp h ALA 51 Ca -0.10 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.62 1shp h ALA 51 Cb 0.89 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1shp h ALA 51 CO 0.09 -0.39 -1.04 0.82 0.00 0.00 0.00 179.25 178.74 1shp h ILE 52 N 0.26 1.01 0.01 0.00 1.08 -0.65 -3.42 117.51 115.81 1shp h ILE 52 Ca 0.30 -2.16 -0.03 0.00 -0.39 0.00 0.00 64.86 62.58 1shp h ILE 52 Cb 0.82 2.31 0.00 0.00 -3.07 0.00 0.00 36.82 36.88 1shp h ILE 52 CO -0.07 0.34 -0.12 0.00 -0.69 0.00 0.00 178.15 177.62 1shp n ARG 54 N -4.57 3.90 0.00 0.00 1.74 0.82 -4.96 116.66 113.60 1shp n ARG 54 Ca -0.10 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.98 1shp n ARG 54 Cb 0.50 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.94 1shp n ARG 54 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11