#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aap n ARG 2 N 0.00 0.00 -0.27 7.34 5.12 -1.26 -3.78 116.66 123.81 1aap n ARG 2 Ca 0.00 0.00 0.07 0.00 -1.93 0.00 0.00 57.85 55.99 1aap n ARG 2 Cb 0.00 0.00 0.22 0.00 -1.16 0.00 0.00 32.46 31.52 1aap n ARG 2 CO 0.00 0.00 0.00 1.49 -1.93 0.00 0.00 177.63 177.19 1aap h GLU 3 N 0.00 0.44 -0.01 5.56 4.81 -2.01 -1.80 114.58 121.56 1aap h GLU 3 Ca 0.00 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 1aap h GLU 3 Cb 0.00 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 1aap h GLU 3 CO 0.00 0.29 -0.21 -0.39 -0.73 0.00 0.00 179.01 177.97 1aap h VAL 4 N 0.45 1.16 0.00 0.32 -1.51 -1.97 -2.97 116.25 111.73 1aap h VAL 4 Ca 0.45 -0.76 0.00 0.00 -1.23 0.00 0.00 66.70 65.17 1aap h VAL 4 Cb 0.73 1.39 0.00 0.00 -2.13 0.00 0.00 31.29 31.27 1aap h VAL 4 CO -0.43 0.22 0.00 0.00 -1.23 0.00 0.00 177.57 176.13 1aap n SER 6 N -1.23 2.19 -4.82 0.00 3.41 -1.12 -4.60 113.62 107.44 1aap n SER 6 Ca 0.07 -1.60 -0.33 0.00 -0.26 0.00 0.00 58.87 56.76 1aap n SER 6 Cb 0.10 0.20 -0.04 0.00 -0.26 0.00 0.00 64.21 64.20 1aap n SER 6 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1aap s GLU 7 N -1.75 3.95 0.79 4.33 2.02 -1.10 -5.00 118.70 121.94 1aap s GLU 7 Ca 0.19 1.10 -0.11 0.00 0.02 0.00 0.00 54.97 56.16 1aap s GLU 7 Cb 0.15 -2.13 0.07 0.00 0.10 0.00 0.00 34.13 32.32 1aap s GLU 7 CO 0.32 -0.27 1.12 -0.65 0.02 0.00 0.00 175.26 175.80 1aap s GLN 8 N -3.64 1.97 0.05 1.61 -0.21 -1.26 -4.90 119.66 113.27 1aap s GLN 8 Ca 0.62 1.36 -0.31 0.00 0.02 0.00 0.00 55.36 57.06 1aap s GLN 8 Cb -0.11 -1.85 -0.07 0.00 1.00 0.00 0.00 33.01 31.98 1aap s GLN 8 CO 0.24 -1.89 1.57 0.00 -2.12 0.00 0.00 175.29 173.08 1aap s ALA 9 N -2.67 3.65 -0.20 6.09 0.00 -1.26 -4.89 121.76 122.48 1aap s ALA 9 Ca 0.65 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.71 1aap s ALA 9 Cb -0.20 -3.66 0.02 0.00 0.00 0.00 0.00 23.12 19.28 1aap s ALA 9 CO 0.54 -1.04 -0.16 -2.00 0.00 0.00 0.00 175.76 173.10 1aap s GLU 10 N 2.55 2.96 0.24 0.00 2.12 -1.26 -5.00 118.70 120.30 1aap s GLU 10 Ca 0.70 -0.86 -0.02 0.00 0.36 0.00 0.00 54.97 55.15 1aap s GLU 10 Cb -0.37 -2.70 0.26 0.00 0.26 0.00 0.00 34.13 31.58 1aap s GLU 10 CO 0.30 -0.26 1.66 1.15 -0.54 0.00 0.00 175.26 177.57 1aap h THR 11 N 6.00 1.27 0.00 -1.70 2.02 -1.95 -3.43 112.91 115.13 1aap h THR 11 Ca -0.42 -1.32 0.00 0.00 0.77 0.00 0.00 66.41 65.45 1aap h THR 11 Cb 1.13 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.80 1aap h THR 11 CO 0.61 0.43 0.00 0.61 0.37 0.00 0.00 175.52 177.54 1aap n GLY 12 N -0.28 -0.81 0.39 2.16 0.00 -1.26 0.13 105.19 105.52 1aap n GLY 12 Ca -0.00 -1.70 0.14 0.00 0.00 0.00 0.00 46.02 44.46 1aap n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1aap n PRO 13 N -0.73 1.54 -2.71 1.61 -0.04 -1.26 -4.75 135.00 128.66 1aap n PRO 13 Ca 0.00 -0.78 -0.26 0.00 -0.04 0.00 0.00 63.50 62.43 1aap n PRO 13 Cb 0.00 -1.48 0.01 0.00 -0.04 0.00 0.00 33.50 31.99 1aap n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1aap n ARG 15 N -2.29 1.21 -2.01 0.00 1.74 -1.20 -4.50 116.66 109.61 1aap n ARG 15 Ca 0.02 -0.32 -0.28 0.00 -0.77 0.00 0.00 57.85 56.50 1aap n ARG 15 Cb 0.57 -1.49 0.10 0.00 -1.02 0.00 0.00 32.46 30.61 1aap n ARG 15 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1aap s ALA 16 N -2.01 2.77 -0.48 7.54 0.00 -0.75 -5.03 121.76 123.80 1aap s ALA 16 Ca 0.44 -0.82 0.06 0.00 0.00 0.00 0.00 51.96 51.64 1aap s ALA 16 Cb 0.22 -2.81 0.20 0.00 0.00 0.00 0.00 23.12 20.72 1aap s ALA 16 CO 0.36 -1.65 0.46 -1.33 0.00 0.00 0.00 175.76 173.60 1aap n MET 17 N -3.25 0.88 -3.74 0.00 2.81 -1.25 -3.91 117.12 108.67 1aap n MET 17 Ca 0.09 -3.58 -0.36 0.00 -1.81 0.00 0.00 57.70 52.04 1aap n MET 17 Cb 0.61 -1.71 -0.10 0.00 -0.71 0.00 0.00 33.22 31.30 1aap n MET 17 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1aap s ILE 18 N -0.84 5.08 0.05 2.02 1.01 -0.27 -4.85 121.20 123.40 1aap s ILE 18 Ca 0.33 0.08 -0.31 0.00 0.00 0.00 0.00 60.65 60.75 1aap s ILE 18 Cb 0.08 -3.36 -0.10 0.00 0.01 0.00 0.00 42.46 39.08 1aap s ILE 18 CO -0.15 0.36 1.89 -1.20 0.00 0.00 0.00 174.94 175.84 1aap n SER 19 N 4.31 3.94 -4.16 3.58 7.64 -1.26 0.28 113.62 127.95 1aap n SER 19 Ca -0.15 0.96 -0.11 0.00 1.01 0.00 0.00 58.87 60.57 1aap n SER 19 Cb 0.52 -1.50 -0.09 0.00 -1.01 0.00 0.00 64.21 62.13 1aap n SER 19 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1aap s ARG 20 N 3.53 1.22 0.15 1.43 1.81 -0.40 -4.90 118.95 121.78 1aap s ARG 20 Ca 0.86 -1.54 0.11 0.00 -1.72 0.00 0.00 55.73 53.44 1aap s ARG 20 Cb -0.51 0.30 -0.04 0.00 -0.45 0.00 0.00 34.95 34.24 1aap s ARG 20 CO 0.42 -0.41 -0.26 -1.58 -0.68 0.00 0.00 175.30 172.78 1aap s TRP 21 N -4.12 2.31 0.03 -0.53 0.52 0.94 -1.56 118.94 116.53 1aap s TRP 21 Ca 0.34 -0.37 -0.02 0.00 0.02 0.00 0.00 56.10 56.07 1aap s TRP 21 Cb 0.06 -1.22 -0.02 0.00 -1.15 0.00 0.00 33.47 31.13 1aap s TRP 21 CO 0.10 0.38 0.01 1.52 0.02 0.00 0.00 176.95 178.98 1aap s TYR 22 N -1.21 0.33 -0.16 -1.98 -0.85 -0.39 -0.65 117.35 112.43 1aap s TYR 22 Ca 0.16 -0.69 -0.24 0.00 -0.52 0.00 0.00 57.07 55.77 1aap s TYR 22 Cb -0.09 -0.24 -0.02 0.00 0.38 0.00 0.00 41.96 41.99 1aap s TYR 22 CO 0.07 -0.30 0.79 0.12 -1.52 0.00 0.00 175.55 174.71 1aap s PHE 23 N -2.58 3.43 -0.34 -3.49 2.19 -1.26 -0.54 117.98 115.38 1aap s PHE 23 Ca -0.05 1.21 -0.12 0.00 0.33 0.00 0.00 56.93 58.30 1aap s PHE 23 Cb -0.02 -2.97 -0.00 0.00 -1.31 0.00 0.00 43.02 38.73 1aap s PHE 23 CO -0.05 -0.21 0.21 0.34 1.83 0.00 0.00 175.22 177.35 1aap s ASP 24 N 1.14 5.83 0.37 6.13 2.15 -0.22 -4.80 116.67 127.27 1aap s ASP 24 Ca 0.37 -0.62 0.06 0.00 0.43 0.00 0.00 52.55 52.79 1aap s ASP 24 Cb -0.17 -2.07 0.76 0.00 -0.30 0.00 0.00 42.92 41.15 1aap s ASP 24 CO 0.13 -0.27 1.98 -0.37 -0.17 0.00 0.00 175.17 176.47 1aap h VAL 25 N 5.64 1.05 -0.14 1.11 -1.51 -1.85 0.37 116.25 120.92 1aap h VAL 25 Ca -0.30 -0.25 -0.03 0.00 -1.23 0.00 0.00 66.70 64.90 1aap h VAL 25 Cb 1.14 0.27 -0.00 0.00 -2.13 0.00 0.00 31.29 30.56 1aap h VAL 25 CO 0.64 0.13 -0.02 0.74 -1.23 0.00 0.00 177.57 177.83 1aap h THR 26 N 0.72 1.28 0.00 7.19 2.02 -1.94 -3.21 112.91 118.96 1aap h THR 26 Ca 0.27 -0.93 -0.01 0.00 0.77 0.00 0.00 66.41 66.51 1aap h THR 26 Cb 0.17 1.61 -0.00 0.00 -1.74 0.00 0.00 68.15 68.19 1aap h THR 26 CO -0.08 0.27 -0.12 -0.33 0.37 0.00 0.00 175.52 175.63 1aap h GLU 27 N -0.03 0.00 -3.32 6.66 5.08 -1.98 -3.47 114.58 117.52 1aap h GLU 27 Ca 0.04 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.12 1aap h GLU 27 Cb 0.43 0.00 0.05 0.00 0.50 0.00 0.00 28.75 29.72 1aap h GLU 27 CO 0.01 0.05 -0.42 0.41 -1.00 0.00 0.00 179.01 178.07 1aap n GLY 28 N 1.12 -0.13 3.79 -3.84 0.00 0.11 -4.98 105.19 101.25 1aap n GLY 28 Ca 0.03 -0.15 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 1aap n GLY 28 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aap s LYS 29 N -5.38 1.77 0.33 1.61 -2.85 -1.15 -4.99 119.74 109.08 1aap s LYS 29 Ca 0.23 -1.10 -0.25 0.00 -1.00 0.00 0.00 55.97 53.85 1aap s LYS 29 Cb -0.10 0.58 -0.10 0.00 -2.06 0.00 0.00 37.83 36.15 1aap s LYS 29 CO 0.28 -0.80 0.93 0.00 0.10 0.00 0.00 175.35 175.86 1aap s ALA 31 N -1.69 0.52 0.48 0.00 0.00 0.30 -4.90 121.76 116.48 1aap s ALA 31 Ca 0.51 -1.09 -0.17 0.00 0.00 0.00 0.00 51.96 51.21 1aap s ALA 31 Cb -0.17 0.21 -0.08 0.00 0.00 0.00 0.00 23.12 23.08 1aap s ALA 31 CO 0.22 -0.29 0.95 -1.25 0.00 0.00 0.00 175.76 175.39 1aap s PRO 32 N -3.31 3.99 0.18 0.00 0.04 -1.26 -1.27 135.00 133.37 1aap s PRO 32 Ca 0.03 0.93 -0.17 0.00 0.04 0.00 0.00 61.00 61.83 1aap s PRO 32 Cb 0.03 -2.18 0.03 0.00 0.04 0.00 0.00 34.50 32.42 1aap s PRO 32 CO -0.07 -0.19 0.48 -0.59 0.04 0.00 0.00 177.00 176.68 1aap s PHE 33 N -2.50 -0.08 -0.19 0.56 -0.12 -0.60 -4.90 117.98 110.15 1aap s PHE 33 Ca 0.59 -0.26 -0.09 0.00 -0.05 0.00 0.00 56.93 57.12 1aap s PHE 33 Cb -0.10 0.33 -0.05 0.00 -0.63 0.00 0.00 43.02 42.58 1aap s PHE 33 CO 0.27 -0.87 0.10 -0.06 -0.05 0.00 0.00 175.22 174.61 1aap s PHE 34 N -3.87 3.32 -0.09 3.49 0.40 -1.26 -1.28 117.98 118.69 1aap s PHE 34 Ca 0.09 0.19 -0.03 0.00 -0.60 0.00 0.00 56.93 56.57 1aap s PHE 34 Cb -0.00 -2.13 -0.04 0.00 0.51 0.00 0.00 43.02 41.37 1aap s PHE 34 CO -0.04 0.20 0.05 -0.47 0.70 0.00 0.00 175.22 175.67 1aap s TYR 35 N 0.42 3.31 -1.40 0.36 5.04 0.14 -4.22 117.35 121.00 1aap s TYR 35 Ca 0.05 0.30 0.28 0.00 -2.44 0.00 0.00 57.07 55.26 1aap s TYR 35 Cb -0.12 -1.83 0.99 0.00 0.35 0.00 0.00 41.96 41.35 1aap s TYR 35 CO -0.01 0.56 1.72 0.41 -1.34 0.00 0.00 175.55 176.90 1aap n GLY 36 N 2.00 -1.06 0.00 8.97 0.00 0.12 -1.12 105.19 114.10 1aap n GLY 36 Ca -0.19 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1aap n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aap n GLY 37 N 1.38 0.91 3.31 -0.02 0.00 -1.26 -1.81 105.19 107.70 1aap n GLY 37 Ca 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 1aap n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aap n GLY 39 N 0.12 0.98 6.40 0.00 0.00 -1.26 -4.23 105.19 107.20 1aap n GLY 39 Ca -0.17 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1aap n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aap n GLY 40 N 0.00 -0.97 1.76 -0.02 0.00 -1.26 -4.94 105.19 99.76 1aap n GLY 40 Ca 0.00 -1.28 -0.12 0.00 0.00 0.00 0.00 46.02 44.63 1aap n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1aap n ASN 41 N 0.45 0.07 0.00 1.61 0.23 -1.26 -5.05 115.26 111.31 1aap n ASN 41 Ca 0.00 -2.18 0.12 0.00 -0.53 0.00 0.00 54.58 51.99 1aap n ASN 41 Cb 0.00 0.80 0.57 0.00 -2.08 0.00 0.00 39.78 39.07 1aap n ASN 41 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1aap n ARG 42 N -0.39 0.07 -2.21 -3.83 5.12 -1.26 -4.15 116.66 110.01 1aap n ARG 42 Ca 0.02 0.06 -0.42 0.00 -1.93 0.00 0.00 57.85 55.58 1aap n ARG 42 Cb 0.33 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.13 1aap n ARG 42 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1aap n ASN 43 N -1.46 5.74 -3.33 0.55 5.15 -1.26 -4.78 115.26 115.87 1aap n ASN 43 Ca 0.07 -3.09 -0.08 0.00 -0.60 0.00 0.00 54.58 50.88 1aap n ASN 43 Cb 0.28 -1.46 -0.07 0.00 -0.53 0.00 0.00 39.78 38.00 1aap n ASN 43 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1aap s ASN 44 N 0.87 0.15 0.08 1.20 3.84 -1.25 -4.44 114.94 115.39 1aap s ASN 44 Ca 0.44 0.18 0.06 0.00 0.21 0.00 0.00 52.86 53.75 1aap s ASN 44 Cb 0.12 1.19 -0.03 0.00 -0.55 0.00 0.00 41.25 41.97 1aap s ASN 44 CO -0.02 -0.31 -0.17 -0.36 -2.79 0.00 0.00 177.10 173.46 1aap s PHE 45 N 2.57 1.43 -0.50 0.43 0.40 0.18 -4.94 117.98 117.55 1aap s PHE 45 Ca 0.13 -0.43 0.25 0.00 -0.60 0.00 0.00 56.93 56.27 1aap s PHE 45 Cb -0.15 -0.80 0.56 0.00 0.51 0.00 0.00 43.02 43.14 1aap s PHE 45 CO -0.18 0.11 1.69 0.38 0.70 0.00 0.00 175.22 177.91 1aap h ASP 46 N 4.31 0.00 -4.82 1.36 -0.00 -1.92 0.27 116.42 115.61 1aap h ASP 46 Ca -0.42 0.00 -0.21 0.00 -0.00 0.00 0.00 57.03 56.40 1aap h ASP 46 Cb 1.19 0.00 -0.17 0.00 -0.00 0.00 0.00 39.33 40.34 1aap h ASP 46 CO 0.40 0.00 -0.70 0.42 -0.00 0.00 0.00 179.24 179.36 1aap s THR 47 N -3.21 0.49 0.18 1.15 -4.23 -1.26 -4.82 115.64 103.94 1aap s THR 47 Ca 0.08 -1.58 -0.10 0.00 -1.18 0.00 0.00 61.69 58.91 1aap s THR 47 Cb 0.08 -1.22 0.06 0.00 1.34 0.00 0.00 72.50 72.75 1aap s THR 47 CO 0.63 -0.74 1.64 -0.08 -0.54 0.00 0.00 174.62 175.53 1aap h GLU 48 N 3.57 1.05 -0.50 3.99 4.81 -1.97 -2.09 114.58 123.45 1aap h GLU 48 Ca -0.35 -0.33 0.01 0.00 -0.13 0.00 0.00 59.36 58.56 1aap h GLU 48 Cb 1.17 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.43 1aap h GLU 48 CO 0.56 1.03 0.33 1.49 -0.73 0.00 0.00 179.01 181.69 1aap h GLU 49 N 0.95 0.65 -0.32 1.92 4.81 -1.99 0.27 114.58 120.87 1aap h GLU 49 Ca 0.17 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.32 1aap h GLU 49 Cb 0.55 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 1aap h GLU 49 CO 0.03 0.43 0.04 -0.92 -0.73 0.00 0.00 179.01 177.86 1aap h TYR 50 N 0.67 0.58 -0.36 0.92 3.20 -1.97 0.22 116.97 120.23 1aap h TYR 50 Ca 0.18 -0.09 0.02 0.00 3.14 0.00 0.00 58.73 61.99 1aap h TYR 50 Cb -0.08 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.01 1aap h TYR 50 CO -0.04 0.63 0.19 0.00 -1.64 0.00 0.00 178.16 177.30 1aap h MET 52 N 0.38 0.37 -0.37 0.00 2.86 -0.78 0.82 114.93 118.22 1aap h MET 52 Ca 0.15 -0.16 0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1aap h MET 52 Cb 0.05 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 1aap h MET 52 CO -0.09 0.67 0.24 0.00 1.06 0.00 0.00 176.91 178.79 1aap h ALA 53 N 1.32 0.47 -0.02 6.32 0.00 -0.53 0.55 119.26 127.36 1aap h ALA 53 Ca 0.04 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1aap h ALA 53 Cb 0.76 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1aap h ALA 53 CO 0.06 -0.08 -0.14 0.28 0.00 0.00 0.00 179.25 179.37 1aap h VAL 54 N 0.49 1.51 0.00 0.00 2.07 -1.27 -3.41 116.25 115.65 1aap h VAL 54 Ca 0.14 -1.71 -0.25 0.00 0.82 0.00 0.00 66.70 65.70 1aap h VAL 54 Cb -0.05 2.58 -0.05 0.00 -1.52 0.00 0.00 31.29 32.25 1aap h VAL 54 CO -0.04 0.46 -2.08 0.00 0.02 0.00 0.00 177.57 175.94