#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pit s PRO 2 N 0.00 3.20 0.41 -0.14 0.04 -1.26 -4.96 135.00 132.29 1pit s PRO 2 Ca 0.00 1.39 0.10 0.00 0.04 0.00 0.00 61.00 62.52 1pit s PRO 2 Cb 0.00 -2.00 0.88 0.00 0.04 0.00 0.00 34.50 33.41 1pit s PRO 2 CO 0.00 -0.93 2.00 0.22 0.04 0.00 0.00 177.00 178.33 1pit h ASP 3 N 0.61 0.28 -0.06 6.66 3.58 -2.03 -0.50 116.42 124.96 1pit h ASP 3 Ca -0.48 -0.03 0.02 0.00 0.42 0.00 0.00 57.03 56.96 1pit h ASP 3 Cb 1.24 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 42.22 1pit h ASP 3 CO 0.56 0.32 0.06 2.19 -2.88 0.00 0.00 179.24 179.49 1pit h PHE 4 N 0.30 0.00 0.00 0.28 -5.15 -1.99 -0.76 116.94 109.62 1pit h PHE 4 Ca 0.07 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.84 1pit h PHE 4 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.35 1pit h PHE 4 CO 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 178.31 176.31 1pit n LEU 6 N -1.42 2.43 -4.77 0.00 4.32 -0.29 -4.06 117.00 113.20 1pit n LEU 6 Ca 0.03 -0.90 -0.40 0.00 -0.02 0.00 0.00 56.01 54.72 1pit n LEU 6 Cb 0.09 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 41.86 1pit n LEU 6 CO 0.07 0.43 0.86 -1.83 -1.22 0.00 0.00 177.39 175.70 1pit s GLU 7 N -2.00 4.34 0.99 3.23 -1.05 -0.05 -4.63 118.70 119.53 1pit s GLU 7 Ca 0.22 1.92 -0.11 0.00 -0.15 0.00 0.00 54.97 56.84 1pit s GLU 7 Cb 0.17 -2.96 0.19 0.00 -0.44 0.00 0.00 34.13 31.10 1pit s GLU 7 CO 0.37 -0.09 1.09 -1.25 0.95 0.00 0.00 175.26 176.33 1pit s PRO 8 N -1.88 0.43 -0.37 -4.83 0.04 -1.26 -4.87 135.00 122.27 1pit s PRO 8 Ca 0.50 1.07 -0.28 0.00 0.04 0.00 0.00 61.00 62.33 1pit s PRO 8 Cb -0.33 -1.69 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 1pit s PRO 8 CO 0.43 -2.88 1.79 -1.25 0.04 0.00 0.00 177.00 175.13 1pit s PRO 9 N -4.68 3.26 -0.19 0.56 0.04 -1.26 -4.96 135.00 127.76 1pit s PRO 9 Ca 0.66 1.31 -0.26 0.00 0.04 0.00 0.00 61.00 62.74 1pit s PRO 9 Cb -0.22 -4.21 -0.01 0.00 0.04 0.00 0.00 34.50 30.10 1pit s PRO 9 CO 0.60 -1.95 0.90 1.52 0.04 0.00 0.00 177.00 178.11 1pit s TYR 10 N 7.10 3.38 0.18 0.56 1.13 -1.26 -4.94 117.35 123.50 1pit s TYR 10 Ca 0.77 1.31 -0.02 0.00 -1.41 0.00 0.00 57.07 57.73 1pit s TYR 10 Cb -0.21 -3.10 0.07 0.00 -1.10 0.00 0.00 41.96 37.62 1pit s TYR 10 CO 0.32 -0.34 1.45 1.15 -2.51 0.00 0.00 175.55 175.62 1pit h THR 11 N 5.30 1.37 0.00 -3.49 2.02 -1.93 -3.45 112.91 112.73 1pit h THR 11 Ca -0.25 -2.08 0.00 0.00 0.77 0.00 0.00 66.41 64.84 1pit h THR 11 Cb 1.11 2.06 0.00 0.00 -1.74 0.00 0.00 68.15 69.57 1pit h THR 11 CO 0.88 0.63 0.00 0.61 0.37 0.00 0.00 175.52 178.01 1pit n GLY 12 N 0.51 -2.83 2.60 2.16 0.00 -1.26 -0.08 105.19 106.28 1pit n GLY 12 Ca -0.04 -1.08 -0.36 0.00 0.00 0.00 0.00 46.02 44.54 1pit n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1pit n PRO 13 N -0.46 2.78 -4.53 1.61 -0.04 -1.26 -4.35 135.00 128.75 1pit n PRO 13 Ca 0.00 -2.05 -0.22 0.00 -0.04 0.00 0.00 63.50 61.19 1pit n PRO 13 Cb 0.00 -2.84 -0.14 0.00 -0.04 0.00 0.00 33.50 30.48 1pit n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pit n LYS 15 N 2.26 4.13 -3.85 0.00 4.76 -1.26 -4.63 118.16 119.57 1pit n LYS 15 Ca -0.16 -3.21 -0.09 0.00 -2.87 0.00 0.00 58.31 51.98 1pit n LYS 15 Cb 0.55 -2.76 0.01 0.00 -1.84 0.00 0.00 35.03 30.98 1pit n LYS 15 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pit s ALA 16 N 0.00 -0.67 -0.05 7.82 0.00 -1.26 -5.07 121.76 122.53 1pit s ALA 16 Ca 0.53 -0.75 -0.02 0.00 0.00 0.00 0.00 51.96 51.73 1pit s ALA 16 Cb 0.16 0.76 0.04 0.00 0.00 0.00 0.00 23.12 24.08 1pit s ALA 16 CO -0.07 -0.97 0.10 1.03 0.00 0.00 0.00 175.76 175.85 1pit s ARG 17 N -2.72 0.04 -0.09 0.00 3.00 -1.22 -4.39 118.95 113.56 1pit s ARG 17 Ca 0.16 0.31 -0.03 0.00 0.00 0.00 0.00 55.73 56.17 1pit s ARG 17 Cb -0.05 -0.21 0.05 0.00 0.00 0.00 0.00 34.95 34.74 1pit s ARG 17 CO 0.11 -0.17 0.16 0.42 0.00 0.00 0.00 175.30 175.82 1pit s ILE 18 N 1.19 -0.26 0.19 1.52 1.01 0.13 -4.96 121.20 120.03 1pit s ILE 18 Ca -0.09 0.34 -0.32 0.00 0.00 0.00 0.00 60.65 60.59 1pit s ILE 18 Cb -0.12 -0.30 -0.12 0.00 0.01 0.00 0.00 42.46 41.93 1pit s ILE 18 CO -0.05 0.14 1.74 -0.63 0.00 0.00 0.00 174.94 176.15 1pit s ILE 19 N 2.29 2.15 0.29 2.92 -1.09 -1.26 -0.26 121.20 126.24 1pit s ILE 19 Ca 0.03 0.03 0.04 0.00 -2.23 0.00 0.00 60.65 58.52 1pit s ILE 19 Cb -0.12 -3.02 -0.03 0.00 -1.58 0.00 0.00 42.46 37.71 1pit s ILE 19 CO -0.06 0.00 0.25 -0.13 -1.23 0.00 0.00 174.94 173.78 1pit s ARG 20 N 1.52 1.61 0.22 2.79 1.81 0.12 -4.86 118.95 122.17 1pit s ARG 20 Ca 0.76 -1.88 0.06 0.00 -1.72 0.00 0.00 55.73 52.95 1pit s ARG 20 Cb -0.49 0.32 -0.05 0.00 -0.45 0.00 0.00 34.95 34.28 1pit s ARG 20 CO 0.33 -0.59 -0.08 0.71 -0.68 0.00 0.00 175.30 174.99 1pit s TYR 21 N -3.62 1.66 -0.02 -0.53 1.51 0.36 -0.12 117.35 116.60 1pit s TYR 21 Ca 0.39 -0.72 -0.20 0.00 -1.01 0.00 0.00 57.07 55.53 1pit s TYR 21 Cb 0.03 -0.88 0.04 0.00 -0.11 0.00 0.00 41.96 41.04 1pit s TYR 21 CO 0.23 0.20 0.43 -0.59 -1.11 0.00 0.00 175.55 174.70 1pit s PHE 22 N -3.15 -0.33 0.07 2.71 -0.71 0.08 -0.44 117.98 116.21 1pit s PHE 22 Ca 0.25 0.50 -0.30 0.00 -1.04 0.00 0.00 56.93 56.34 1pit s PHE 22 Cb 0.03 0.20 -0.06 0.00 -1.21 0.00 0.00 43.02 41.98 1pit s PHE 22 CO 0.07 -0.47 1.17 -0.47 -1.34 0.00 0.00 175.22 174.18 1pit s TYR 23 N -1.42 3.47 -0.45 3.49 6.14 -1.26 -0.72 117.35 126.59 1pit s TYR 23 Ca -0.12 1.36 -0.04 0.00 0.64 0.00 0.00 57.07 58.92 1pit s TYR 23 Cb -0.03 -3.38 0.12 0.00 0.42 0.00 0.00 41.96 39.08 1pit s TYR 23 CO 0.05 -1.11 0.26 1.21 0.64 0.00 0.00 175.55 176.60 1pit s ASN 24 N 0.92 5.33 0.27 4.32 2.47 -0.03 -4.64 114.94 123.58 1pit s ASN 24 Ca 0.57 -2.14 0.15 0.00 0.42 0.00 0.00 52.86 51.86 1pit s ASN 24 Cb -0.29 -1.86 0.81 0.00 -1.45 0.00 0.00 41.25 38.46 1pit s ASN 24 CO 0.30 -0.54 1.40 0.00 -3.72 0.00 0.00 177.10 174.54 1pit n ALA 25 N 4.47 0.84 0.22 1.71 0.00 -1.26 -0.25 120.51 126.25 1pit n ALA 25 Ca -0.01 0.14 0.08 0.00 0.00 0.00 0.00 53.44 53.65 1pit n ALA 25 Cb 0.41 -1.03 0.52 0.00 0.00 0.00 0.00 19.45 19.34 1pit n ALA 25 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1pit h LYS 26 N 0.00 0.00 0.00 0.00 1.63 -1.92 -3.28 116.57 113.00 1pit h LYS 26 Ca 0.00 0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 59.64 1pit h LYS 26 Cb 0.26 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.86 1pit h LYS 26 CO 0.00 0.25 -1.61 0.00 -3.45 0.00 0.00 179.45 174.64 1pit n ALA 27 N -2.33 1.78 -1.54 5.00 0.00 -0.09 -5.04 120.51 118.28 1pit n ALA 27 Ca -0.01 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1pit n ALA 27 Cb 0.36 0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.91 1pit n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pit n GLY 28 N 2.57 0.90 3.66 0.00 0.00 0.66 -5.08 105.19 107.90 1pit n GLY 28 Ca -0.15 -0.57 -0.09 0.00 0.00 0.00 0.00 46.02 45.21 1pit n GLY 28 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pit s LEU 29 N -0.27 0.02 -0.04 0.99 0.20 -1.21 -4.99 118.68 113.38 1pit s LEU 29 Ca 0.00 -0.66 -0.30 0.00 0.69 0.00 0.00 54.13 53.86 1pit s LEU 29 Cb 0.00 2.24 -0.02 0.00 -0.43 0.00 0.00 46.19 47.98 1pit s LEU 29 CO 0.00 -1.19 1.00 0.00 -0.29 0.00 0.00 176.35 175.87 1pit s GLN 31 N 1.36 1.42 0.49 0.00 -0.21 0.10 -4.93 119.66 117.89 1pit s GLN 31 Ca 0.51 -1.75 -0.03 0.00 0.02 0.00 0.00 55.36 54.11 1pit s GLN 31 Cb -0.20 -0.57 -0.01 0.00 1.00 0.00 0.00 33.01 33.22 1pit s GLN 31 CO 0.25 -0.17 0.75 0.95 -2.12 0.00 0.00 175.29 174.94 1pit s THR 32 N -3.49 4.25 0.20 -0.19 -4.23 -1.26 -0.74 115.64 110.18 1pit s THR 32 Ca 0.33 -0.18 -0.22 0.00 -1.18 0.00 0.00 61.69 60.43 1pit s THR 32 Cb 0.07 -3.61 0.07 0.00 1.34 0.00 0.00 72.50 70.37 1pit s THR 32 CO 0.11 -0.52 0.96 0.72 -0.54 0.00 0.00 174.62 175.35 1pit s PHE 33 N -2.70 -0.01 -0.21 3.99 -0.71 0.83 -4.85 117.98 114.32 1pit s PHE 33 Ca 0.49 -0.39 -0.15 0.00 -1.04 0.00 0.00 56.93 55.84 1pit s PHE 33 Cb -0.10 0.70 -0.04 0.00 -1.21 0.00 0.00 43.02 42.36 1pit s PHE 33 CO 0.41 -0.99 0.37 0.08 -1.34 0.00 0.00 175.22 173.75 1pit s VAL 34 N -2.71 5.22 0.12 -2.49 1.01 -1.26 -0.70 120.40 119.59 1pit s VAL 34 Ca 0.17 0.63 0.04 0.00 0.00 0.00 0.00 61.98 62.82 1pit s VAL 34 Cb -0.03 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 1pit s VAL 34 CO 0.05 0.26 0.12 -0.47 0.00 0.00 0.00 175.10 175.06 1pit s TYR 35 N 1.32 3.21 0.00 5.22 5.04 0.64 -4.48 117.35 128.31 1pit s TYR 35 Ca 0.17 0.05 0.00 0.00 -2.44 0.00 0.00 57.07 54.85 1pit s TYR 35 Cb -0.15 -1.59 0.00 0.00 0.35 0.00 0.00 41.96 40.58 1pit s TYR 35 CO 0.08 0.52 0.40 0.41 -1.34 0.00 0.00 175.55 175.62 1pit n GLY 36 N 0.04 -1.19 0.00 8.97 0.00 0.89 0.22 105.19 114.12 1pit n GLY 36 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1pit n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pit n GLY 37 N 0.61 1.24 3.67 -0.02 0.00 -1.26 -3.46 105.19 105.97 1pit n GLY 37 Ca 0.00 -0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 1pit n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pit n ARG 39 N -1.08 -3.28 -2.26 0.00 3.00 -1.26 -4.68 116.66 107.10 1pit n ARG 39 Ca -0.04 0.56 -0.41 0.00 -0.01 0.00 0.00 57.85 57.95 1pit n ARG 39 Cb 0.66 -4.81 -0.03 0.00 0.00 0.00 0.00 32.46 28.28 1pit n ARG 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1pit s ALA 40 N -3.63 3.49 0.80 7.54 0.00 -1.26 -4.81 121.76 123.88 1pit s ALA 40 Ca 0.18 1.09 -0.06 0.00 0.00 0.00 0.00 51.96 53.18 1pit s ALA 40 Cb -0.06 -3.45 0.15 0.00 0.00 0.00 0.00 23.12 19.77 1pit s ALA 40 CO 0.83 -0.48 1.10 0.15 0.00 0.00 0.00 175.76 177.36 1pit s LYS 41 N -0.70 1.36 0.05 0.00 -0.14 -1.26 -5.05 119.74 113.99 1pit s LYS 41 Ca 0.53 -0.87 -0.12 0.00 -1.36 0.00 0.00 55.97 54.14 1pit s LYS 41 Cb -0.36 -2.17 -0.33 0.00 -1.68 0.00 0.00 37.83 33.29 1pit s LYS 41 CO 0.42 -1.75 1.05 0.00 -0.76 0.00 0.00 175.35 174.30 1pit h ARG 42 N -0.89 0.47 -3.47 1.68 3.08 -1.97 -3.34 114.38 109.94 1pit h ARG 42 Ca -0.39 -0.79 -0.59 0.00 0.07 0.00 0.00 59.98 58.28 1pit h ARG 42 Cb 1.26 0.29 0.02 0.00 0.08 0.00 0.00 29.97 31.61 1pit h ARG 42 CO 0.40 1.37 3.22 -1.71 -1.07 0.00 0.00 179.97 182.18 1pit n ASN 43 N -3.66 6.13 -3.54 7.04 5.15 -1.26 -4.74 115.26 120.36 1pit n ASN 43 Ca -0.14 -2.56 -0.23 0.00 -0.60 0.00 0.00 54.58 51.05 1pit n ASN 43 Cb 1.08 -1.40 -0.15 0.00 -0.53 0.00 0.00 39.78 38.78 1pit n ASN 43 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1pit s ASN 44 N 3.01 2.11 0.26 1.20 3.84 -1.26 -4.50 114.94 119.60 1pit s ASN 44 Ca 0.56 -0.57 0.12 0.00 0.21 0.00 0.00 52.86 53.17 1pit s ASN 44 Cb 0.15 0.02 -0.05 0.00 -0.55 0.00 0.00 41.25 40.82 1pit s ASN 44 CO -0.04 -0.36 -0.18 -0.36 -2.79 0.00 0.00 177.10 173.37 1pit s PHE 45 N 2.22 2.35 -0.52 0.43 0.08 0.41 -4.95 117.98 118.00 1pit s PHE 45 Ca 0.05 -0.32 0.23 0.00 0.12 0.00 0.00 56.93 57.01 1pit s PHE 45 Cb -0.16 -1.05 0.13 0.00 -0.57 0.00 0.00 43.02 41.37 1pit s PHE 45 CO -0.16 0.66 1.12 1.17 -0.10 0.00 0.00 175.22 177.91 1pit n LYS 46 N -0.45 0.37 -3.72 0.44 4.81 -1.26 -0.48 118.16 117.87 1pit n LYS 46 Ca -0.07 0.05 -0.10 0.00 -0.87 0.00 0.00 58.31 57.32 1pit n LYS 46 Cb 0.59 -1.68 -0.04 0.00 0.02 0.00 0.00 35.03 33.93 1pit n LYS 46 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1pit s SER 47 N -4.38 -0.27 0.31 3.14 1.04 -1.26 -4.81 113.70 107.47 1pit s SER 47 Ca 0.03 -0.45 0.03 0.00 0.48 0.00 0.00 55.95 56.04 1pit s SER 47 Cb 0.13 0.57 0.51 0.00 0.10 0.00 0.00 66.02 67.33 1pit s SER 47 CO 0.77 -1.03 1.83 0.00 0.98 0.00 0.00 173.24 175.78 1pit h ALA 48 N 2.20 1.27 -0.10 5.32 0.00 -1.93 -0.93 119.26 125.10 1pit h ALA 48 Ca -0.29 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.40 1pit h ALA 48 Cb 1.26 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 1pit h ALA 48 CO 0.38 0.49 -0.43 0.93 0.00 0.00 0.00 179.25 180.62 1pit h GLU 49 N 0.55 -0.45 -0.05 0.00 4.39 -1.98 0.18 114.58 117.23 1pit h GLU 49 Ca 0.11 0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.87 1pit h GLU 49 Cb 0.40 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.12 1pit h GLU 49 CO 0.02 -0.30 -0.13 0.22 -1.16 0.00 0.00 179.01 177.66 1pit h ASP 50 N -0.46 -0.37 -0.19 1.42 3.58 -1.90 0.92 116.42 119.42 1pit h ASP 50 Ca 0.02 0.06 0.05 0.00 0.42 0.00 0.00 57.03 57.59 1pit h ASP 50 Cb 0.54 0.17 -0.07 0.00 1.72 0.00 0.00 39.33 41.69 1pit h ASP 50 CO -0.34 -0.17 -0.32 0.00 -2.88 0.00 0.00 179.24 175.53 1pit h MET 52 N -0.37 0.23 -0.59 0.00 2.86 -0.27 0.90 114.93 117.70 1pit h MET 52 Ca 0.11 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.74 1pit h MET 52 Cb 0.54 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.12 1pit h MET 52 CO -0.39 0.15 0.39 0.00 1.06 0.00 0.00 176.91 178.12 1pit h ARG 53 N 0.24 0.78 0.27 1.72 3.08 -0.46 0.38 114.38 120.39 1pit h ARG 53 Ca 0.11 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 1pit h ARG 53 Cb 0.06 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 29.94 1pit h ARG 53 CO -0.10 0.52 -0.13 1.15 -1.07 0.00 0.00 179.97 180.33 1pit h THR 54 N 0.80 0.75 0.00 2.04 2.02 -0.51 -3.42 112.91 114.59 1pit h THR 54 Ca 0.22 -0.62 -0.04 0.00 0.77 0.00 0.00 66.41 66.74 1pit h THR 54 Cb -0.09 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 1pit h THR 54 CO -0.05 0.12 -1.36 0.00 0.37 0.00 0.00 175.52 174.60 1pit n GLY 56 N 2.27 4.00 2.59 0.00 0.00 0.13 -4.30 105.19 109.87 1pit n GLY 56 Ca -0.04 0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 1pit n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pit n GLY 57 N 0.00 0.73 0.00 -0.02 0.00 -1.26 -4.91 105.19 99.73 1pit n GLY 57 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1pit n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32