#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2abz s PRO 5 N 0.00 3.48 0.03 -2.82 0.04 -1.26 -4.87 135.00 129.60 2abz s PRO 5 Ca 0.00 0.92 -0.22 0.00 0.04 0.00 0.00 61.00 61.74 2abz s PRO 5 Cb 0.00 -2.06 -0.06 0.00 0.04 0.00 0.00 34.50 32.42 2abz s PRO 5 CO 0.00 -0.66 0.66 -0.51 0.04 0.00 0.00 177.00 176.53 2abz s ASP 6 N -3.59 7.09 -0.11 6.66 1.01 -1.26 -4.51 116.67 121.97 2abz s ASP 6 Ca 0.58 1.30 0.02 0.00 0.71 0.00 0.00 52.55 55.16 2abz s ASP 6 Cb -0.12 -2.41 -0.01 0.00 1.01 0.00 0.00 42.92 41.39 2abz s ASP 6 CO 0.46 0.10 -0.17 -0.70 0.21 0.00 0.00 175.17 175.06 2abz s GLU 7 N -0.30 3.13 0.03 8.23 -6.30 0.67 -4.92 118.70 119.25 2abz s GLU 7 Ca 0.34 -0.76 -0.06 0.00 -2.50 0.00 0.00 54.97 51.99 2abz s GLU 7 Cb -0.19 -2.47 -0.05 0.00 0.00 0.00 0.00 34.13 31.42 2abz s GLU 7 CO 0.20 0.26 0.28 -1.54 0.02 0.00 0.00 175.26 174.48 2abz s SER 8 N 0.19 6.48 0.04 -1.70 1.04 -1.26 -0.34 113.70 118.16 2abz s SER 8 Ca -0.10 0.54 0.02 0.00 0.48 0.00 0.00 55.95 56.89 2abz s SER 8 Cb -0.16 -2.08 -0.02 0.00 0.10 0.00 0.00 66.02 63.86 2abz s SER 8 CO 0.06 0.22 -0.08 -0.36 0.98 0.00 0.00 173.24 174.06 2abz s PHE 9 N -1.36 0.71 -0.09 5.02 0.08 0.54 -2.01 117.98 120.87 2abz s PHE 9 Ca 0.30 -0.49 0.03 0.00 0.12 0.00 0.00 56.93 56.89 2abz s PHE 9 Cb -0.13 -0.42 0.00 0.00 -0.57 0.00 0.00 43.02 41.90 2abz s PHE 9 CO 0.18 -0.07 -0.20 -1.17 -0.10 0.00 0.00 175.22 173.86 2abz s LEU 10 N -1.57 1.95 -0.06 -0.37 2.96 -0.21 -1.55 118.68 119.83 2abz s LEU 10 Ca -0.09 -0.48 0.03 0.00 -0.22 0.00 0.00 54.13 53.37 2abz s LEU 10 Cb -0.10 -1.22 -0.03 0.00 0.50 0.00 0.00 46.19 45.34 2abz s LEU 10 CO 0.01 0.12 -0.13 0.00 -1.32 0.00 0.00 176.35 175.02 2abz s TYR 12 N -0.70 3.14 0.14 0.00 6.14 -0.27 -1.78 117.35 124.02 2abz s TYR 12 Ca 0.11 -0.19 0.08 0.00 0.64 0.00 0.00 57.07 57.70 2abz s TYR 12 Cb -0.11 -2.13 -0.04 0.00 0.42 0.00 0.00 41.96 40.11 2abz s TYR 12 CO 0.01 -0.09 -0.17 -0.65 0.64 0.00 0.00 175.55 175.28 2abz s GLN 13 N 0.90 1.18 0.59 4.97 -0.21 -0.47 -1.17 119.66 125.45 2abz s GLN 13 Ca 0.03 -1.32 0.29 0.00 0.02 0.00 0.00 55.36 54.38 2abz s GLN 13 Cb -0.14 -1.22 1.39 0.00 1.00 0.00 0.00 33.01 34.04 2abz s GLN 13 CO 0.02 0.25 1.78 -1.35 -2.12 0.00 0.00 175.29 173.87 2abz h PRO 14 N 3.45 0.00 -0.00 2.91 0.11 -2.00 -2.75 132.00 133.72 2abz h PRO 14 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2abz h PRO 14 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2abz h PRO 14 CO 0.49 0.00 -0.02 -0.40 -0.21 0.00 0.00 178.00 177.86 2abz n ASP 15 N -3.65 1.13 -3.49 -2.05 5.75 -1.26 -4.82 116.55 108.16 2abz n ASP 15 Ca 0.13 -1.07 -0.09 0.00 -0.01 0.00 0.00 54.79 53.75 2abz n ASP 15 Cb 0.88 0.15 -0.02 0.00 -1.03 0.00 0.00 41.12 41.10 2abz n ASP 15 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2abz s GLN 16 N -0.45 0.91 -0.16 0.11 -2.07 -1.04 -1.60 119.66 115.36 2abz s GLN 16 Ca 0.04 -0.30 -0.03 0.00 -1.82 0.00 0.00 55.36 53.25 2abz s GLN 16 Cb 0.03 0.42 -0.02 0.00 -1.09 0.00 0.00 33.01 32.35 2abz s GLN 16 CO 0.06 -0.39 -0.06 0.08 -1.32 0.00 0.00 175.29 173.66 2abz s VAL 17 N -3.11 3.59 -0.04 3.63 1.01 -0.49 -1.36 120.40 123.63 2abz s VAL 17 Ca 0.04 -0.46 0.07 0.00 0.00 0.00 0.00 61.98 61.62 2abz s VAL 17 Cb -0.01 -2.57 -0.02 0.00 0.00 0.00 0.00 36.38 33.79 2abz s VAL 17 CO -0.09 0.49 -0.24 0.00 0.00 0.00 0.00 175.10 175.26 2abz s ALA 19 N -0.44 3.67 -0.06 0.00 0.00 0.32 -0.21 121.76 125.03 2abz s ALA 19 Ca 0.05 -0.69 0.06 0.00 0.00 0.00 0.00 51.96 51.37 2abz s ALA 19 Cb -0.12 -1.99 -0.01 0.00 0.00 0.00 0.00 23.12 21.01 2abz s ALA 19 CO 0.01 0.37 -0.24 -0.06 0.00 0.00 0.00 175.76 175.84 2abz s PHE 20 N -0.24 2.36 -0.25 0.00 0.08 -0.60 -1.69 117.98 117.64 2abz s PHE 20 Ca 0.10 -0.74 -0.03 0.00 0.12 0.00 0.00 56.93 56.38 2abz s PHE 20 Cb -0.12 -1.56 0.01 0.00 -0.57 0.00 0.00 43.02 40.79 2abz s PHE 20 CO 0.01 -0.24 -0.03 0.42 -0.10 0.00 0.00 175.22 175.28 2abz s ILE 21 N -0.07 3.27 0.08 0.64 1.09 0.05 -0.34 121.20 125.93 2abz s ILE 21 Ca -0.06 -0.77 0.09 0.00 -1.10 0.00 0.00 60.65 58.81 2abz s ILE 21 Cb -0.14 -2.60 -0.04 0.00 -1.06 0.00 0.00 42.46 38.62 2abz s ILE 21 CO 0.04 0.26 -0.21 0.00 -0.10 0.00 0.00 174.94 174.93 2abz s ARG 23 N -1.73 2.35 -0.53 0.00 0.52 0.86 -0.23 118.95 120.18 2abz s ARG 23 Ca 0.15 -0.88 0.00 0.00 -0.52 0.00 0.00 55.73 54.48 2abz s ARG 23 Cb -0.10 -2.49 0.00 0.00 0.52 0.00 0.00 34.95 32.88 2abz s ARG 23 CO 0.06 -0.37 0.00 0.41 0.02 0.00 0.00 175.30 175.43 2abz n GLY 24 N 4.64 0.64 3.49 -3.53 0.00 -1.26 -1.76 105.19 107.41 2abz n GLY 24 Ca -0.16 -0.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.58 2abz n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2abz s ALA 25 N -1.79 0.42 0.05 4.61 0.00 -1.26 -3.67 121.76 120.12 2abz s ALA 25 Ca 0.00 -1.29 -0.02 0.00 0.00 0.00 0.00 51.96 50.65 2abz s ALA 25 Cb 0.00 1.15 -0.03 0.00 0.00 0.00 0.00 23.12 24.24 2abz s ALA 25 CO 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 175.76 174.97 2abz s ALA 26 N -3.59 0.39 0.52 0.00 0.00 -1.26 -4.72 121.76 113.10 2abz s ALA 26 Ca 0.28 -1.11 -0.22 0.00 0.00 0.00 0.00 51.96 50.91 2abz s ALA 26 Cb 0.01 0.30 -0.06 0.00 0.00 0.00 0.00 23.12 23.36 2abz s ALA 26 CO 0.15 -0.38 1.28 -2.30 0.00 0.00 0.00 175.76 174.50 2abz n PRO 27 N 0.13 1.66 -1.55 0.00 -0.02 -1.26 -4.98 135.00 128.98 2abz n PRO 27 Ca -0.14 0.61 -0.31 0.00 -2.02 0.00 0.00 63.50 61.63 2abz n PRO 27 Cb 0.61 -2.47 0.06 0.00 -0.02 0.00 0.00 33.50 31.68 2abz n PRO 27 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2abz s LEU 28 N -2.74 3.16 0.55 2.45 1.43 -1.26 -4.92 118.68 117.35 2abz s LEU 28 Ca 0.69 1.72 0.26 0.00 -1.03 0.00 0.00 54.13 55.77 2abz s LEU 28 Cb -0.44 -4.51 1.46 0.00 0.03 0.00 0.00 46.19 42.72 2abz s LEU 28 CO 0.51 -1.59 2.01 -0.65 0.23 0.00 0.00 176.35 176.86 2abz h PRO 29 N -0.65 0.00 0.00 1.29 0.11 -1.94 -1.91 132.00 128.90 2abz h PRO 29 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2abz h PRO 29 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2abz h PRO 29 CO 0.55 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.21 2abz n SER 30 N -4.17 0.00 -1.12 -2.05 3.41 -1.26 -2.75 113.62 105.67 2abz n SER 30 Ca 0.07 0.02 0.12 0.00 -0.26 0.00 0.00 58.87 58.82 2abz n SER 30 Cb 0.54 -0.28 0.21 0.00 -0.26 0.00 0.00 64.21 64.42 2abz n SER 30 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2abz n GLU 31 N -1.28 2.48 0.00 4.33 1.02 -0.72 -5.06 120.64 121.41 2abz n GLU 31 Ca 0.09 -2.22 0.00 0.00 -0.02 0.00 0.00 57.16 55.00 2abz n GLU 31 Cb 0.14 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 2abz n GLU 31 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2abz n GLY 32 N 1.49 -0.04 3.55 0.62 0.00 -1.11 -4.69 105.19 105.01 2abz n GLY 32 Ca 0.19 -2.25 -0.39 0.00 0.00 0.00 0.00 46.02 43.56 2abz n GLY 32 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2abz s GLU 33 N 0.00 3.16 -0.13 1.61 0.41 -0.32 -4.82 118.70 118.61 2abz s GLU 33 Ca 0.00 -0.37 -0.03 0.00 -0.41 0.00 0.00 54.97 54.16 2abz s GLU 33 Cb 0.00 -4.63 -0.03 0.00 -1.78 0.00 0.00 34.13 27.69 2abz s GLU 33 CO 0.00 -2.36 -0.03 0.00 -0.49 0.00 0.00 175.26 172.38 2abz s ASN 35 N -0.09 0.12 0.27 0.00 0.01 -0.87 -4.97 114.94 109.41 2abz s ASN 35 Ca 0.02 -0.32 -0.30 0.00 -0.71 0.00 0.00 52.86 51.55 2abz s ASN 35 Cb -0.13 0.15 -0.13 0.00 0.41 0.00 0.00 41.25 41.55 2abz s ASN 35 CO 0.02 -0.32 1.35 -2.65 -1.51 0.00 0.00 177.10 173.99 2abz n PRO 36 N 1.62 2.01 -3.59 -0.60 -0.02 -1.26 -1.04 135.00 132.12 2abz n PRO 36 Ca -0.23 0.71 -0.10 0.00 -2.02 0.00 0.00 63.50 61.86 2abz n PRO 36 Cb 0.56 -2.33 -0.05 0.00 -0.02 0.00 0.00 33.50 31.65 2abz n PRO 36 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 2abz s HIS 37 N -0.43 -0.39 0.72 6.00 2.46 -0.85 -4.76 115.29 118.05 2abz s HIS 37 Ca 0.64 0.72 -0.16 0.00 0.47 0.00 0.00 55.06 56.73 2abz s HIS 37 Cb -0.63 0.44 -0.06 0.00 -0.13 0.00 0.00 32.58 32.20 2abz s HIS 37 CO 0.54 -0.33 0.35 -2.30 -2.47 0.00 0.00 174.74 170.53 2abz n PRO 38 N 0.97 0.22 -1.71 2.88 -0.02 -1.26 -3.49 135.00 132.59 2abz n PRO 38 Ca -0.11 0.11 -0.43 0.00 -2.02 0.00 0.00 63.50 61.05 2abz n PRO 38 Cb 0.58 -1.67 -0.03 0.00 -0.02 0.00 0.00 33.50 32.35 2abz n PRO 38 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2abz n THR 39 N -2.33 0.03 -1.76 3.45 -1.04 -1.26 -4.77 114.28 106.61 2abz n THR 39 Ca 0.09 -0.01 -0.39 0.00 -2.04 0.00 0.00 64.05 61.70 2abz n THR 39 Cb 0.50 -1.94 0.03 0.00 -1.82 0.00 0.00 70.33 67.10 2abz n THR 39 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2abz s ALA 40 N 1.28 3.05 0.48 2.41 0.00 -1.26 -4.89 121.76 122.83 2abz s ALA 40 Ca 0.76 1.43 0.14 0.00 0.00 0.00 0.00 51.96 54.30 2abz s ALA 40 Cb -0.52 -3.59 1.12 0.00 0.00 0.00 0.00 23.12 20.13 2abz s ALA 40 CO 0.33 -1.32 2.09 -1.00 0.00 0.00 0.00 175.76 175.86 2abz h PRO 41 N 1.90 0.10 -0.01 0.00 0.13 -2.01 0.19 132.00 132.29 2abz h PRO 41 Ca -0.51 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 2abz h PRO 41 Cb 1.28 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2abz h PRO 41 CO 0.59 0.11 0.00 -2.67 -0.23 0.00 0.00 178.00 175.81 2abz n TRP 42 N -4.47 0.00 -0.00 1.56 4.27 -1.26 -3.67 117.44 113.87 2abz n TRP 42 Ca -0.02 -0.00 0.02 0.00 -3.89 0.00 0.00 57.50 53.61 2abz n TRP 42 Cb 0.13 0.00 -0.12 0.00 -1.36 0.00 0.00 31.31 29.96 2abz n TRP 42 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2abz n ALA 43 N -0.69 2.17 -1.67 -1.67 0.00 0.05 -5.04 120.51 113.66 2abz n ALA 43 Ca 0.22 -0.68 -0.37 0.00 0.00 0.00 0.00 53.44 52.62 2abz n ALA 43 Cb 0.17 -0.74 -0.05 0.00 0.00 0.00 0.00 19.45 18.82 2abz n ALA 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2abz n ARG 44 N -2.65 1.73 0.00 0.00 1.74 -1.21 -4.96 116.66 111.32 2abz n ARG 44 Ca -0.12 -2.25 0.00 0.00 -0.77 0.00 0.00 57.85 54.71 2abz n ARG 44 Cb 0.80 -3.32 0.00 0.00 -1.02 0.00 0.00 32.46 28.92 2abz n ARG 44 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 2abz n VAL 48 N 6.74 0.00 -2.77 1.55 0.24 -1.26 -5.15 118.33 117.68 2abz n VAL 48 Ca 0.48 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 62.35 2abz n VAL 48 Cb 0.43 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.77 2abz n VAL 48 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 2abz s GLU 49 N -1.00 3.25 0.14 7.34 1.03 -1.26 -5.02 118.70 123.18 2abz s GLU 49 Ca 0.00 -0.41 -0.31 0.00 0.03 0.00 0.00 54.97 54.28 2abz s GLU 49 Cb 0.00 -4.13 -0.09 0.00 -0.80 0.00 0.00 34.13 29.11 2abz s GLU 49 CO 0.00 -1.73 1.55 -1.58 -1.33 0.00 0.00 175.26 172.17 2abz s TRP 50 N 4.38 2.98 -0.08 4.83 0.52 -1.26 -4.61 118.94 125.71 2abz s TRP 50 Ca 0.29 0.63 -0.08 0.00 0.02 0.00 0.00 56.10 56.96 2abz s TRP 50 Cb -0.13 -3.89 -0.04 0.00 -1.15 0.00 0.00 33.47 28.26 2abz s TRP 50 CO 0.16 -3.32 -0.18 1.33 0.02 0.00 0.00 176.95 174.96 2abz n VAL 51 N 4.10 1.14 0.00 4.03 0.24 -1.21 -5.01 118.33 121.62 2abz n VAL 51 Ca 0.14 0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.54 2abz n VAL 51 Cb 0.39 -1.86 0.00 0.00 -1.47 0.00 0.00 33.84 30.90 2abz n VAL 51 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 2abz n PRO 52 N -3.84 0.00 0.00 7.34 -0.04 -1.26 -5.03 135.00 132.17 2abz n PRO 52 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 2abz n PRO 52 Cb 0.42 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.88 2abz n PRO 52 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2abz n THR 55 N 0.00 0.00 0.00 0.52 -2.24 -1.26 -4.73 114.28 106.57 2abz n THR 55 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2abz n THR 55 Cb 0.00 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 67.60 2abz n THR 55 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2abz n GLY 56 N -0.30 1.82 3.23 3.38 0.00 -1.24 -4.62 105.19 107.46 2abz n GLY 56 Ca 0.00 0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 2abz n GLY 56 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2abz s GLN 57 N 4.79 0.42 -0.05 1.61 -2.07 -0.72 -4.92 119.66 118.71 2abz s GLN 57 Ca 0.00 0.41 0.04 0.00 -1.82 0.00 0.00 55.36 53.99 2abz s GLN 57 Cb 0.00 0.20 -0.00 0.00 -1.09 0.00 0.00 33.01 32.12 2abz s GLN 57 CO 0.00 -0.06 -0.17 0.00 -1.32 0.00 0.00 175.29 173.74 2abz s ARG 59 N 0.15 3.52 -0.12 0.00 1.70 0.41 -3.34 118.95 121.26 2abz s ARG 59 Ca -0.07 -0.29 -0.15 0.00 -0.47 0.00 0.00 55.73 54.75 2abz s ARG 59 Cb -0.13 -2.94 0.04 0.00 -0.57 0.00 0.00 34.95 31.35 2abz s ARG 59 CO 0.03 0.53 0.40 -0.08 -1.08 0.00 0.00 175.30 175.10 2abz s THR 60 N -1.62 0.01 0.01 4.99 -1.32 -1.26 -0.77 115.64 115.69 2abz s THR 60 Ca 0.38 -0.09 0.01 0.00 -1.21 0.00 0.00 61.69 60.79 2abz s THR 60 Cb -0.12 -0.60 -0.01 0.00 -1.51 0.00 0.00 72.50 70.26 2abz s THR 60 CO 0.27 -0.05 -0.05 0.28 -2.21 0.00 0.00 174.62 172.86 2abz s THR 61 N -0.12 0.36 0.19 5.08 -1.32 -0.68 -4.81 115.64 114.35 2abz s THR 61 Ca -0.03 -0.56 0.09 0.00 -1.21 0.00 0.00 61.69 59.98 2abz s THR 61 Cb -0.03 -0.38 -0.04 0.00 -1.51 0.00 0.00 72.50 70.53 2abz s THR 61 CO 0.02 -0.14 -0.18 0.00 -2.21 0.00 0.00 174.62 172.11 2abz s ILE 63 N -2.24 1.35 0.62 0.00 -4.36 -0.48 -4.99 121.20 111.11 2abz s ILE 63 Ca 0.19 -0.80 -0.13 0.00 -0.26 0.00 0.00 60.65 59.65 2abz s ILE 63 Cb -0.05 -1.14 -0.03 0.00 1.25 0.00 0.00 42.46 42.49 2abz s ILE 63 CO 0.08 0.33 1.04 -2.16 0.24 0.00 0.00 174.94 174.47 2abz s PRO 64 N -0.54 3.35 0.38 0.37 0.04 -1.26 -1.40 135.00 135.95 2abz s PRO 64 Ca 0.06 0.99 0.03 0.00 0.04 0.00 0.00 61.00 62.13 2abz s PRO 64 Cb -0.07 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.42 2abz s PRO 64 CO -0.00 -0.77 0.56 0.71 0.04 0.00 0.00 177.00 177.54 2abz s TYR 65 N -2.81 3.20 0.00 0.56 1.51 -0.63 -4.82 117.35 114.37 2abz s TYR 65 Ca 0.59 0.04 0.00 0.00 -1.01 0.00 0.00 57.07 56.69 2abz s TYR 65 Cb -0.13 -2.12 0.00 0.00 -0.11 0.00 0.00 41.96 39.60 2abz s TYR 65 CO 0.45 -0.14 0.19 1.33 -1.11 0.00 0.00 175.55 176.27