#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1shp n ILE 2 N 0.00 0.46 -0.33 0.44 -5.35 -1.26 -0.38 119.36 112.94 1shp n ILE 2 Ca 0.00 0.11 0.02 0.00 -0.27 0.00 0.00 62.75 62.62 1shp n ILE 2 Cb 0.00 -0.82 0.17 0.00 -1.74 0.00 0.00 39.64 37.25 1shp n ILE 2 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1shp h SER 4 N 0.98 0.00 -3.63 0.00 0.87 -1.05 -3.39 113.55 107.33 1shp h SER 4 Ca 0.41 0.00 -0.55 0.00 -1.23 0.00 0.00 61.79 60.42 1shp h SER 4 Cb 0.26 0.00 0.11 0.00 -0.44 0.00 0.00 62.40 62.32 1shp h SER 4 CO -0.20 0.72 0.69 -0.62 -0.53 0.00 0.00 176.83 176.90 1shp n GLU 5 N -3.31 2.49 -2.36 2.24 1.02 -1.20 -4.96 120.64 114.55 1shp n GLU 5 Ca 0.01 0.87 -0.13 0.00 -0.02 0.00 0.00 57.16 57.90 1shp n GLU 5 Cb 0.81 -2.56 0.03 0.00 -0.02 0.00 0.00 31.44 29.70 1shp n GLU 5 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1shp n PRO 6 N 0.68 0.83 -1.64 3.49 -0.04 -1.26 -4.80 135.00 132.25 1shp n PRO 6 Ca 0.03 -1.91 -0.47 0.00 -0.04 0.00 0.00 63.50 61.11 1shp n PRO 6 Cb 0.38 -0.05 -0.04 0.00 -0.04 0.00 0.00 33.50 33.75 1shp n PRO 6 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1shp n LYS 7 N -1.63 1.81 -3.70 0.54 4.81 -1.26 -4.83 118.16 113.90 1shp n LYS 7 Ca 0.07 0.65 -0.12 0.00 -0.87 0.00 0.00 58.31 58.04 1shp n LYS 7 Cb 0.36 -2.32 -0.10 0.00 0.02 0.00 0.00 35.03 33.00 1shp n LYS 7 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1shp s LYS 8 N 0.19 0.52 0.00 1.64 0.00 -1.26 -5.11 119.74 115.72 1shp s LYS 8 Ca 0.75 0.74 0.00 0.00 0.00 0.00 0.00 55.97 57.46 1shp s LYS 8 Cb -0.74 0.18 0.00 0.00 0.00 0.00 0.00 37.83 37.27 1shp s LYS 8 CO 0.45 -0.10 0.28 0.28 0.00 0.00 0.00 175.35 176.27 1shp n VAL 9 N 3.32 0.00 0.00 1.79 0.31 -1.26 -4.74 118.33 117.74 1shp n VAL 9 Ca -0.17 0.74 0.00 0.00 -0.01 0.00 0.00 64.34 64.90 1shp n VAL 9 Cb 0.56 -1.66 0.00 0.00 -0.91 0.00 0.00 33.84 31.83 1shp n VAL 9 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1shp n GLY 10 N 1.17 1.24 1.38 2.92 0.00 -1.26 -1.23 105.19 109.41 1shp n GLY 10 Ca 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.16 1shp n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1shp n ARG 11 N -1.92 0.95 -3.50 1.61 5.12 -1.26 -4.73 116.66 112.93 1shp n ARG 11 Ca 0.00 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.83 1shp n ARG 11 Cb 0.00 -1.02 -0.02 0.00 -1.16 0.00 0.00 32.46 30.25 1shp n ARG 11 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1shp n LYS 13 N -0.14 1.68 -2.11 0.00 5.02 -1.21 -4.22 118.16 117.18 1shp n LYS 13 Ca -0.10 -3.49 -0.34 0.00 -2.02 0.00 0.00 58.31 52.36 1shp n LYS 13 Cb 0.62 -1.57 0.01 0.00 -0.02 0.00 0.00 35.03 34.07 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 -3.70 2.41 -1.36 0.72 0.00 0.04 -4.92 107.32 100.52 1shp s GLY 14 Ca 0.27 0.67 -0.15 0.00 0.00 0.00 0.00 44.72 45.52 1shp s GLY 14 CO -0.03 1.01 1.94 2.98 0.00 0.00 0.00 173.10 179.01 1shp n TYR 15 N -1.69 3.95 -3.44 1.90 9.36 -1.26 -4.46 117.16 121.51 1shp n TYR 15 Ca 0.11 -2.95 -0.44 0.00 3.32 0.00 0.00 57.90 57.94 1shp n TYR 15 Cb 0.52 -2.45 -0.04 0.00 -0.63 0.00 0.00 39.34 36.73 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 2.93 3.63 0.05 2.98 0.08 -1.23 -5.02 117.98 121.41 1shp s PHE 16 Ca 0.48 -2.15 -0.30 0.00 0.12 0.00 0.00 56.93 55.07 1shp s PHE 16 Cb 0.09 -3.64 -0.08 0.00 -0.57 0.00 0.00 43.02 38.81 1shp s PHE 16 CO -0.01 -0.95 1.79 -1.25 -0.10 0.00 0.00 175.22 174.69 1shp s PRO 17 N 0.21 4.16 0.38 0.24 0.04 -1.26 -0.55 135.00 138.23 1shp s PRO 17 Ca 0.16 2.45 0.04 0.00 0.04 0.00 0.00 61.00 63.69 1shp s PRO 17 Cb -0.14 -3.84 -0.03 0.00 0.04 0.00 0.00 34.50 30.52 1shp s PRO 17 CO -0.07 -0.85 0.13 1.03 0.04 0.00 0.00 177.00 177.28 1shp s ARG 18 N 3.47 1.84 0.07 4.56 1.81 0.34 -4.91 118.95 126.14 1shp s ARG 18 Ca 0.80 -2.10 0.04 0.00 -1.72 0.00 0.00 55.73 52.75 1shp s ARG 18 Cb -0.41 -0.56 -0.04 0.00 -0.45 0.00 0.00 34.95 33.49 1shp s ARG 18 CO 0.35 -0.44 -0.01 -0.06 -0.68 0.00 0.00 175.30 174.47 1shp s PHE 19 N -3.28 2.98 0.10 -0.53 0.40 0.70 -0.36 117.98 117.98 1shp s PHE 19 Ca 0.27 -0.02 0.05 0.00 -0.60 0.00 0.00 56.93 56.63 1shp s PHE 19 Cb 0.04 -1.55 -0.03 0.00 0.51 0.00 0.00 43.02 41.98 1shp s PHE 19 CO 0.15 0.47 -0.12 1.52 0.70 0.00 0.00 175.22 177.94 1shp s TYR 20 N -1.26 1.18 -0.54 0.36 1.13 0.68 -0.28 117.35 118.62 1shp s TYR 20 Ca 0.24 -0.57 -0.27 0.00 -1.41 0.00 0.00 57.07 55.07 1shp s TYR 20 Cb -0.12 -0.64 0.03 0.00 -1.10 0.00 0.00 41.96 40.14 1shp s TYR 20 CO 0.16 0.05 1.07 0.12 -2.51 0.00 0.00 175.55 174.45 1shp s PHE 21 N -2.02 2.73 -0.38 -3.49 5.36 -1.26 -0.74 117.98 118.18 1shp s PHE 21 Ca 0.04 0.31 -0.29 0.00 -0.96 0.00 0.00 56.93 56.03 1shp s PHE 21 Cb -0.06 -4.29 0.02 0.00 -0.34 0.00 0.00 43.02 38.35 1shp s PHE 21 CO 0.01 -1.41 1.21 0.34 -1.46 0.00 0.00 175.22 173.91 1shp s ASP 22 N 2.77 6.67 0.00 6.13 -1.08 0.94 -4.74 116.67 127.36 1shp s ASP 22 Ca 0.39 0.85 0.28 0.00 -0.52 0.00 0.00 52.55 53.56 1shp s ASP 22 Cb -0.09 -2.54 1.15 0.00 -1.46 0.00 0.00 42.92 39.97 1shp s ASP 22 CO 0.24 -1.15 1.80 -0.24 0.52 0.00 0.00 175.17 176.35 1shp n SER 23 N 7.71 1.23 -0.06 -0.34 2.88 -1.26 0.00 113.62 123.78 1shp n SER 23 Ca 0.13 -1.35 -0.17 0.00 -1.33 0.00 0.00 58.87 56.15 1shp n SER 23 Cb 0.48 0.01 -0.13 0.00 -0.75 0.00 0.00 64.21 63.82 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 1.89 0.05 0.02 -1.46 4.39 -1.94 -3.33 114.58 114.19 1shp h GLU 24 Ca 0.00 -0.08 -0.22 0.00 0.34 0.00 0.00 59.36 59.40 1shp h GLU 24 Cb 0.43 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.09 1shp h GLU 24 CO 0.00 1.04 -1.01 1.79 -1.16 0.00 0.00 179.01 179.67 1shp h THR 25 N -0.88 1.68 -3.77 1.13 1.35 -2.00 -3.48 112.91 106.93 1shp h THR 25 Ca -0.11 -3.32 -0.10 0.00 -0.55 0.00 0.00 66.41 62.33 1shp h THR 25 Cb 1.19 2.83 0.07 0.00 -1.73 0.00 0.00 68.15 70.51 1shp h THR 25 CO -0.03 0.95 -0.32 0.61 -0.25 0.00 0.00 175.52 176.49 1shp n GLY 26 N 1.32 0.13 3.43 5.82 0.00 0.10 -5.07 105.19 110.92 1shp n GLY 26 Ca -0.01 -0.04 -0.11 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.82 1.27 -0.08 1.61 1.02 0.08 -4.99 119.74 114.82 1shp s LYS 27 Ca 0.12 -0.58 -0.24 0.00 0.02 0.00 0.00 55.97 55.29 1shp s LYS 27 Cb -0.02 0.56 -0.03 0.00 -0.52 0.00 0.00 37.83 37.82 1shp s LYS 27 CO 0.28 -0.54 0.73 0.00 -0.92 0.00 0.00 175.35 174.90 1shp s THR 29 N 1.07 0.04 0.60 0.00 2.01 0.09 -4.94 115.64 114.51 1shp s THR 29 Ca 0.38 -0.36 -0.15 0.00 0.31 0.00 0.00 61.69 61.87 1shp s THR 29 Cb -0.18 -0.31 -0.03 0.00 0.01 0.00 0.00 72.50 71.99 1shp s THR 29 CO 0.18 -0.20 1.06 -2.16 -0.69 0.00 0.00 174.62 172.81 1shp s PRO 30 N -0.65 3.29 0.27 4.92 0.04 -1.26 -0.23 135.00 141.38 1shp s PRO 30 Ca -0.07 1.17 -0.21 0.00 0.04 0.00 0.00 61.00 61.93 1shp s PRO 30 Cb -0.04 -2.03 0.02 0.00 0.04 0.00 0.00 34.50 32.49 1shp s PRO 30 CO 0.01 -0.83 0.72 -0.59 0.04 0.00 0.00 177.00 176.35 1shp s PHE 31 N -2.51 -0.21 -0.29 0.56 -0.71 0.51 -4.80 117.98 110.53 1shp s PHE 31 Ca 0.63 -0.24 -0.11 0.00 -1.04 0.00 0.00 56.93 56.17 1shp s PHE 31 Cb -0.16 0.70 -0.04 0.00 -1.21 0.00 0.00 43.02 42.31 1shp s PHE 31 CO 0.39 -1.21 0.20 0.42 -1.34 0.00 0.00 175.22 173.68 1shp s ILE 32 N -3.89 5.28 0.14 -4.49 1.09 -1.26 -0.51 121.20 117.56 1shp s ILE 32 Ca 0.11 0.09 -0.16 0.00 -1.10 0.00 0.00 60.65 59.58 1shp s ILE 32 Cb -0.06 -3.55 -0.07 0.00 -1.06 0.00 0.00 42.46 37.72 1shp s ILE 32 CO 0.06 0.20 0.58 -0.47 -0.10 0.00 0.00 174.94 175.21 1shp s TYR 33 N 1.75 3.66 0.34 3.97 5.04 0.29 -4.54 117.35 127.86 1shp s TYR 33 Ca 0.07 1.16 0.01 0.00 -2.44 0.00 0.00 57.07 55.87 1shp s TYR 33 Cb -0.16 -2.44 0.59 0.00 0.35 0.00 0.00 41.96 40.30 1shp s TYR 33 CO 0.11 0.46 1.99 0.78 -1.34 0.00 0.00 175.55 177.55 1shp h GLY 34 N 3.80 0.93 0.00 8.97 0.00 -1.34 -3.25 103.07 112.17 1shp h GLY 34 Ca -0.49 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.48 1shp h GLY 34 CO 0.65 0.35 0.00 0.61 0.00 0.00 0.00 176.54 178.15 1shp n GLY 35 N -1.39 0.90 0.00 4.60 0.00 -1.26 -0.78 105.19 107.27 1shp n GLY 35 Ca 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 0.00 5.45 0.00 0.00 -1.26 -4.81 105.19 104.58 1shp n GLY 37 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.78 0.46 0.00 -0.02 0.00 -1.26 -5.02 105.19 98.58 1shp n GLY 38 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 4.57 0.00 0.02 1.61 6.94 -1.26 -4.92 115.26 122.22 1shp n ASN 39 Ca 0.00 0.00 -0.18 0.00 -0.02 0.00 0.00 54.58 54.38 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 0.36 -6.11 4.83 0.00 -1.95 -3.39 103.07 96.81 1shp h GLY 40 Ca 0.00 -0.77 -0.63 0.00 0.00 0.00 0.00 47.33 45.94 1shp h GLY 40 CO 0.00 0.67 2.66 -2.01 0.00 0.00 0.00 176.54 177.86 1shp n ASN 41 N -4.21 3.58 -3.05 0.19 2.85 -1.26 -4.60 115.26 108.76 1shp n ASN 41 Ca -0.12 -2.66 0.00 0.00 -0.11 0.00 0.00 54.58 51.69 1shp n ASN 41 Cb 0.73 -1.28 -0.00 0.00 1.24 0.00 0.00 39.78 40.47 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 4.13 -1.28 0.11 1.20 3.04 -1.26 -4.72 114.94 116.16 1shp s ASN 42 Ca 0.53 -0.81 0.10 0.00 0.04 0.00 0.00 52.86 52.72 1shp s ASN 42 Cb 0.14 1.65 -0.04 0.00 -1.54 0.00 0.00 41.25 41.46 1shp s ASN 42 CO 0.03 -0.12 -0.25 -0.36 -3.04 0.00 0.00 177.10 173.35 1shp s PHE 43 N 1.69 2.19 0.19 0.43 0.08 0.62 -4.97 117.98 118.21 1shp s PHE 43 Ca 0.18 -0.39 -0.06 0.00 0.12 0.00 0.00 56.93 56.78 1shp s PHE 43 Cb -0.02 -1.21 0.11 0.00 -0.57 0.00 0.00 43.02 41.33 1shp s PHE 43 CO -0.08 0.27 1.58 1.49 -0.10 0.00 0.00 175.22 178.37 1shp h GLU 44 N 4.12 0.83 -4.28 0.44 4.57 -1.95 0.20 114.58 118.51 1shp h GLU 44 Ca -0.49 -0.37 -0.16 0.00 -1.18 0.00 0.00 59.36 57.16 1shp h GLU 44 Cb 1.17 -0.02 -0.14 0.00 -0.16 0.00 0.00 28.75 29.59 1shp h GLU 44 CO 0.40 1.00 -0.55 0.95 -1.18 0.00 0.00 179.01 179.63 1shp s THR 45 N -4.54 0.08 0.16 0.32 -4.23 -1.26 -4.42 115.64 101.74 1shp s THR 45 Ca -0.10 -1.77 -0.16 0.00 -1.18 0.00 0.00 61.69 58.48 1shp s THR 45 Cb 0.12 -2.03 0.02 0.00 1.34 0.00 0.00 72.50 71.96 1shp s THR 45 CO 0.85 -0.37 1.75 0.25 -0.54 0.00 0.00 174.62 176.56 1shp h LEU 46 N 2.74 0.11 -0.40 4.79 5.85 -1.94 0.12 115.31 126.59 1shp h LEU 46 Ca -0.34 0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.50 1shp h LEU 46 Cb 1.21 0.04 -0.09 0.00 0.37 0.00 0.00 40.66 42.19 1shp h LEU 46 CO 0.55 0.10 -0.29 -0.74 -0.34 0.00 0.00 178.44 177.72 1shp h HIS 47 N 0.26 -0.77 -0.00 1.25 2.76 -1.99 0.88 115.15 117.53 1shp h HIS 47 Ca 0.16 0.05 -0.00 0.00 -2.20 0.00 0.00 60.37 58.39 1shp h HIS 47 Cb 0.15 0.40 -0.00 0.00 1.55 0.00 0.00 27.41 29.51 1shp h HIS 47 CO -0.15 -0.35 0.00 0.37 -1.30 0.00 0.00 177.93 176.49 1shp h GLN 48 N -0.22 0.00 -0.38 5.26 4.15 -1.87 -0.12 115.11 121.93 1shp h GLN 48 Ca 0.18 -0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.68 1shp h GLN 48 Cb 0.51 -0.00 -0.08 0.00 0.21 0.00 0.00 27.48 28.12 1shp h GLN 48 CO -0.52 0.27 -0.20 0.00 -1.93 0.00 0.00 178.83 176.45 1shp h ARG 50 N -0.14 0.09 -0.63 0.00 2.43 -0.69 0.37 114.38 115.82 1shp h ARG 50 Ca 0.19 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.39 1shp h ARG 50 Cb 0.43 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.92 1shp h ARG 50 CO -0.47 0.33 0.34 0.00 -1.51 0.00 0.00 179.97 178.66 1shp h ALA 51 N 0.76 0.84 0.09 2.80 0.00 -0.70 0.23 119.26 123.28 1shp h ALA 51 Ca 0.02 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1shp h ALA 51 Cb 0.28 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1shp h ALA 51 CO 0.00 0.02 -0.04 0.82 0.00 0.00 0.00 179.25 180.05 1shp h ILE 52 N 0.64 1.15 0.12 0.00 2.04 -0.53 -3.38 117.51 117.56 1shp h ILE 52 Ca 0.28 -1.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.09 1shp h ILE 52 Cb 0.17 1.80 0.00 0.00 -0.74 0.00 0.00 36.82 38.06 1shp h ILE 52 CO -0.18 0.25 -0.06 0.00 0.00 0.00 0.00 178.15 178.16 1shp s ARG 54 N -3.37 2.64 0.00 0.00 0.52 0.06 -4.87 118.95 113.93 1shp s ARG 54 Ca -0.13 0.08 0.00 0.00 -0.52 0.00 0.00 55.73 55.16 1shp s ARG 54 Cb 0.00 -2.14 0.00 0.00 0.52 0.00 0.00 34.95 33.33 1shp s ARG 54 CO 0.51 -1.01 0.40 0.00 0.02 0.00 0.00 175.30 175.22