#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pit n PRO 2 N 0.00 -0.19 -0.06 2.89 -0.04 -1.26 -4.97 135.00 131.37 1pit n PRO 2 Ca 0.00 0.01 -0.10 0.00 -0.04 0.00 0.00 63.50 63.37 1pit n PRO 2 Cb 0.00 -2.25 -0.15 0.00 -0.04 0.00 0.00 33.50 31.06 1pit n PRO 2 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1pit n ASP 3 N -3.11 0.56 0.28 3.54 8.00 -1.26 -3.79 116.55 120.77 1pit n ASP 3 Ca 0.11 0.21 0.15 0.00 0.71 0.00 0.00 54.79 55.97 1pit n ASP 3 Cb 0.52 0.37 0.82 0.00 -0.02 0.00 0.00 41.12 42.81 1pit n ASP 3 CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 1pit h PHE 4 N 0.00 0.00 0.00 1.24 -5.15 -1.99 -1.05 116.94 109.99 1pit h PHE 4 Ca -0.41 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.36 1pit h PHE 4 Cb 2.12 0.00 0.00 0.00 0.22 0.00 0.00 35.95 38.29 1pit h PHE 4 CO 0.00 0.07 0.26 0.00 -2.00 0.00 0.00 178.31 176.64 1pit n LEU 6 N -2.91 2.89 -4.77 0.00 4.32 -0.40 -4.45 117.00 111.68 1pit n LEU 6 Ca -0.02 -0.97 -0.40 0.00 -0.02 0.00 0.00 56.01 54.60 1pit n LEU 6 Cb 0.31 -0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.09 1pit n LEU 6 CO 0.15 0.49 0.98 -1.83 -1.22 0.00 0.00 177.39 175.95 1pit s GLU 7 N -1.99 4.21 0.76 3.23 -1.05 0.43 -4.85 118.70 119.44 1pit s GLU 7 Ca 0.29 2.21 -0.12 0.00 -0.15 0.00 0.00 54.97 57.20 1pit s GLU 7 Cb 0.20 -2.96 0.06 0.00 -0.44 0.00 0.00 34.13 30.99 1pit s GLU 7 CO 0.30 -0.31 1.13 -1.25 0.95 0.00 0.00 175.26 176.08 1pit s PRO 8 N -1.97 2.12 -0.91 -4.83 0.04 -1.26 -4.87 135.00 123.33 1pit s PRO 8 Ca 0.52 1.41 -0.25 0.00 0.04 0.00 0.00 61.00 62.72 1pit s PRO 8 Cb -0.39 -1.86 -0.06 0.00 0.04 0.00 0.00 34.50 32.22 1pit s PRO 8 CO 0.52 -1.78 2.01 -1.25 0.04 0.00 0.00 177.00 176.55 1pit s PRO 9 N -4.46 2.40 -0.41 0.56 0.04 -1.26 -4.93 135.00 126.94 1pit s PRO 9 Ca 0.66 -0.24 -0.26 0.00 0.04 0.00 0.00 61.00 61.20 1pit s PRO 9 Cb -0.21 -5.03 0.02 0.00 0.04 0.00 0.00 34.50 29.31 1pit s PRO 9 CO 0.51 -3.60 0.97 -0.47 0.04 0.00 0.00 177.00 174.45 1pit s TYR 10 N 10.90 2.99 0.16 0.56 6.14 -1.26 -4.94 117.35 131.91 1pit s TYR 10 Ca 0.73 0.67 0.03 0.00 0.64 0.00 0.00 57.07 59.14 1pit s TYR 10 Cb -0.07 -3.87 -0.01 0.00 0.42 0.00 0.00 41.96 38.42 1pit s TYR 10 CO 0.02 -0.98 1.37 1.15 0.64 0.00 0.00 175.55 177.75 1pit h THR 11 N 5.96 1.51 0.00 4.34 2.02 -1.91 -3.43 112.91 121.41 1pit h THR 11 Ca -0.23 -2.68 0.00 0.00 0.77 0.00 0.00 66.41 64.27 1pit h THR 11 Cb 1.07 2.50 0.00 0.00 -1.74 0.00 0.00 68.15 69.98 1pit h THR 11 CO 1.02 0.78 0.00 0.61 0.37 0.00 0.00 175.52 178.30 1pit n GLY 12 N 0.90 -0.16 2.73 2.16 0.00 -1.26 -0.78 105.19 108.79 1pit n GLY 12 Ca -0.03 -1.58 -0.37 0.00 0.00 0.00 0.00 46.02 44.03 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 0.24 2.41 -3.91 1.61 -0.04 -1.26 -4.77 135.00 129.28 1pit n PRO 13 Ca 0.00 -2.02 -0.11 0.00 -0.04 0.00 0.00 63.50 61.34 1pit n PRO 13 Cb 0.00 -2.88 -0.13 0.00 -0.04 0.00 0.00 33.50 30.45 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 2.44 1.58 -1.58 0.00 5.02 -1.26 -4.82 118.16 119.54 1pit n LYS 15 Ca -0.17 -0.62 -0.30 0.00 -2.02 0.00 0.00 58.31 55.20 1pit n LYS 15 Cb 0.58 -1.31 0.20 0.00 -0.02 0.00 0.00 35.03 34.48 1pit n LYS 15 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pit s ALA 16 N -2.16 1.60 -0.11 7.82 0.00 -1.26 -5.10 121.76 122.54 1pit s ALA 16 Ca 0.12 -1.02 -0.06 0.00 0.00 0.00 0.00 51.96 51.00 1pit s ALA 16 Cb 0.14 -2.85 0.05 0.00 0.00 0.00 0.00 23.12 20.46 1pit s ALA 16 CO 0.50 -2.82 0.27 1.03 0.00 0.00 0.00 175.76 174.74 1pit s ARG 17 N -5.64 0.23 -0.07 0.00 0.52 -0.98 -4.44 118.95 108.57 1pit s ARG 17 Ca 0.71 0.57 -0.03 0.00 -0.52 0.00 0.00 55.73 56.46 1pit s ARG 17 Cb -0.07 -0.11 0.04 0.00 0.52 0.00 0.00 34.95 35.33 1pit s ARG 17 CO 0.54 -0.17 0.13 0.42 0.02 0.00 0.00 175.30 176.25 1pit s ILE 18 N 1.32 -0.19 0.12 1.52 1.01 0.10 -4.98 121.20 120.11 1pit s ILE 18 Ca -0.09 0.33 -0.31 0.00 0.00 0.00 0.00 60.65 60.58 1pit s ILE 18 Cb -0.10 -0.25 -0.10 0.00 0.01 0.00 0.00 42.46 42.02 1pit s ILE 18 CO -0.09 0.14 1.77 -0.63 0.00 0.00 0.00 174.94 176.13 1pit s ILE 19 N 2.01 2.60 0.31 2.92 -1.09 -1.26 -0.39 121.20 126.30 1pit s ILE 19 Ca 0.01 0.16 0.04 0.00 -2.23 0.00 0.00 60.65 58.62 1pit s ILE 19 Cb -0.12 -3.10 -0.04 0.00 -1.58 0.00 0.00 42.46 37.62 1pit s ILE 19 CO -0.05 0.00 0.17 -0.13 -1.23 0.00 0.00 174.94 173.70 1pit s ARG 20 N 2.51 1.63 0.28 2.79 1.81 0.18 -4.87 118.95 123.29 1pit s ARG 20 Ca 0.78 -1.94 0.06 0.00 -1.72 0.00 0.00 55.73 52.92 1pit s ARG 20 Cb -0.45 -0.08 -0.06 0.00 -0.45 0.00 0.00 34.95 33.91 1pit s ARG 20 CO 0.35 -0.48 -0.04 0.71 -0.68 0.00 0.00 175.30 175.16 1pit s TYR 21 N -3.56 1.95 0.01 -0.53 1.51 -0.47 -0.18 117.35 116.08 1pit s TYR 21 Ca 0.35 -0.74 -0.16 0.00 -1.01 0.00 0.00 57.07 55.52 1pit s TYR 21 Cb 0.04 -1.14 0.03 0.00 -0.11 0.00 0.00 41.96 40.78 1pit s TYR 21 CO 0.18 0.24 0.34 -0.59 -1.11 0.00 0.00 175.55 174.61 1pit s PHE 22 N -3.06 -0.19 -0.28 2.71 -0.71 0.07 -0.35 117.98 116.17 1pit s PHE 22 Ca 0.30 0.21 -0.29 0.00 -1.04 0.00 0.00 56.93 56.11 1pit s PHE 22 Cb 0.05 0.13 -0.02 0.00 -1.21 0.00 0.00 43.02 41.96 1pit s PHE 22 CO 0.12 -0.46 1.61 -0.47 -1.34 0.00 0.00 175.22 174.68 1pit s TYR 23 N -1.86 2.11 -0.74 3.49 5.04 -1.26 -0.78 117.35 123.34 1pit s TYR 23 Ca -0.10 0.60 -0.19 0.00 -2.44 0.00 0.00 57.07 54.94 1pit s TYR 23 Cb -0.03 -4.06 0.12 0.00 0.35 0.00 0.00 41.96 38.33 1pit s TYR 23 CO 0.01 -2.73 0.91 1.21 -1.34 0.00 0.00 175.55 173.62 1pit s ASN 24 N 4.57 6.38 0.65 4.32 2.47 0.37 -4.60 114.94 129.11 1pit s ASN 24 Ca 0.71 -1.65 0.29 0.00 0.42 0.00 0.00 52.86 52.63 1pit s ASN 24 Cb -0.22 -2.35 1.60 0.00 -1.45 0.00 0.00 41.25 38.83 1pit s ASN 24 CO 0.30 -1.13 1.90 0.00 -3.72 0.00 0.00 177.10 174.46 1pit h ALA 25 N 9.03 1.33 0.00 1.71 0.00 -1.80 0.38 119.26 129.90 1pit h ALA 25 Ca -0.10 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1pit h ALA 25 Cb 1.06 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1pit h ALA 25 CO 1.09 -0.33 -0.39 -0.22 0.00 0.00 0.00 179.25 179.40 1pit h LYS 26 N 0.00 0.00 0.00 0.00 3.64 -1.92 -2.99 116.57 115.29 1pit h LYS 26 Ca 0.00 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 1pit h LYS 26 Cb 0.66 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.47 1pit h LYS 26 CO 0.00 0.39 -1.85 0.00 -2.27 0.00 0.00 179.45 175.72 1pit n ALA 27 N -2.25 2.44 -2.47 5.00 0.00 0.13 -4.99 120.51 118.36 1pit n ALA 27 Ca 0.01 -0.62 -0.12 0.00 0.00 0.00 0.00 53.44 52.70 1pit n ALA 27 Cb 0.59 -0.73 0.01 0.00 0.00 0.00 0.00 19.45 19.32 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 1.35 -0.06 3.29 0.00 0.00 0.11 -5.01 105.19 104.86 1pit n GLY 28 Ca -0.09 -0.32 -0.10 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.75 0.68 -0.08 0.99 2.96 -1.08 -4.98 118.68 113.42 1pit s LEU 29 Ca 0.09 -0.36 -0.30 0.00 -0.22 0.00 0.00 54.13 53.34 1pit s LEU 29 Cb -0.04 1.61 -0.02 0.00 0.50 0.00 0.00 46.19 48.24 1pit s LEU 29 CO 0.11 -0.79 1.07 0.00 -1.32 0.00 0.00 176.35 175.42 1pit s GLN 31 N 1.99 0.77 0.54 0.00 -0.21 0.04 -4.91 119.66 117.88 1pit s GLN 31 Ca 0.51 -1.29 -0.05 0.00 0.02 0.00 0.00 55.36 54.55 1pit s GLN 31 Cb -0.21 0.24 -0.01 0.00 1.00 0.00 0.00 33.01 34.04 1pit s GLN 31 CO 0.20 -0.19 0.83 0.95 -2.12 0.00 0.00 175.29 174.96 1pit s THR 32 N -3.97 4.09 0.22 -0.19 -4.23 -1.26 -0.75 115.64 109.55 1pit s THR 32 Ca 0.14 -0.00 -0.20 0.00 -1.18 0.00 0.00 61.69 60.44 1pit s THR 32 Cb 0.07 -3.59 0.04 0.00 1.34 0.00 0.00 72.50 70.36 1pit s THR 32 CO -0.05 -0.57 0.62 0.72 -0.54 0.00 0.00 174.62 174.80 1pit s PHE 33 N -2.85 -0.26 -0.30 3.99 -0.71 0.75 -4.85 117.98 113.74 1pit s PHE 33 Ca 0.51 -0.09 -0.24 0.00 -1.04 0.00 0.00 56.93 56.07 1pit s PHE 33 Cb -0.10 0.56 0.00 0.00 -1.21 0.00 0.00 43.02 42.27 1pit s PHE 33 CO 0.44 -1.03 0.82 0.08 -1.34 0.00 0.00 175.22 174.19 1pit s VAL 34 N -3.86 4.77 0.25 -2.49 1.01 -1.26 -0.65 120.40 118.17 1pit s VAL 34 Ca 0.08 1.27 -0.04 0.00 0.00 0.00 0.00 61.98 63.28 1pit s VAL 34 Cb -0.03 -4.17 -0.05 0.00 0.00 0.00 0.00 36.38 32.13 1pit s VAL 34 CO -0.02 -0.26 0.50 -0.47 0.00 0.00 0.00 175.10 174.85 1pit s TYR 35 N 3.02 3.47 -0.04 5.22 5.04 0.47 -4.75 117.35 129.78 1pit s TYR 35 Ca 0.34 0.59 -0.13 0.00 -2.44 0.00 0.00 57.07 55.43 1pit s TYR 35 Cb -0.14 -2.06 -0.07 0.00 0.35 0.00 0.00 41.96 40.04 1pit s TYR 35 CO 0.12 0.25 0.54 0.78 -1.34 0.00 0.00 175.55 175.91 1pit h GLY 36 N 1.96 -0.49 0.00 8.97 0.00 -1.17 0.30 103.07 112.64 1pit h GLY 36 Ca -0.47 0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1pit h GLY 36 CO 0.68 -0.18 0.00 0.61 0.00 0.00 0.00 176.54 177.65 1pit n GLY 37 N 0.58 1.83 3.93 4.60 0.00 -1.25 -2.32 105.19 112.57 1pit n GLY 37 Ca -0.06 -0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.69 -4.06 -1.13 0.00 5.12 -1.26 -4.38 116.66 110.26 1pit n ARG 39 Ca -0.05 0.77 -0.33 0.00 -1.93 0.00 0.00 57.85 56.31 1pit n ARG 39 Cb 0.54 -5.44 0.12 0.00 -1.16 0.00 0.00 32.46 26.52 1pit n ARG 39 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1pit s ALA 40 N -3.33 1.86 0.04 7.54 0.00 -1.26 -4.54 121.76 122.06 1pit s ALA 40 Ca 0.20 0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.94 1pit s ALA 40 Cb -0.03 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1pit s ALA 40 CO 0.66 -2.25 0.04 1.63 0.00 0.00 0.00 175.76 175.83 1pit n LYS 41 N -3.34 0.97 0.07 0.00 4.76 -1.26 -5.05 118.16 114.31 1pit n LYS 41 Ca 0.13 -0.14 -0.21 0.00 -2.87 0.00 0.00 58.31 55.21 1pit n LYS 41 Cb 0.51 -0.01 -0.14 0.00 -1.84 0.00 0.00 35.03 33.55 1pit n LYS 41 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pit h ARG 42 N 0.00 0.49 -2.49 1.97 3.08 -1.98 -3.36 114.38 112.09 1pit h ARG 42 Ca -0.01 -0.70 -0.35 0.00 0.07 0.00 0.00 59.98 58.99 1pit h ARG 42 Cb 0.06 0.24 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 1pit h ARG 42 CO 0.02 1.31 1.27 -1.71 -1.07 0.00 0.00 179.97 179.79 1pit n ASN 43 N -3.95 6.09 -3.55 7.04 5.15 -1.26 -4.67 115.26 120.11 1pit n ASN 43 Ca -0.14 -2.45 -0.29 0.00 -0.60 0.00 0.00 54.58 51.11 1pit n ASN 43 Cb 0.91 -1.37 -0.12 0.00 -0.53 0.00 0.00 39.78 38.67 1pit n ASN 43 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1pit s ASN 44 N 2.22 3.11 0.45 1.20 -0.87 -1.25 -4.19 114.94 115.61 1pit s ASN 44 Ca 0.62 -2.46 0.08 0.00 -1.57 0.00 0.00 52.86 49.53 1pit s ASN 44 Cb 0.24 -0.65 0.00 0.00 -0.02 0.00 0.00 41.25 40.82 1pit s ASN 44 CO -0.02 -0.28 0.46 -0.36 -2.57 0.00 0.00 177.10 174.33 1pit s PHE 45 N 0.67 2.46 -0.18 2.20 0.08 0.52 -4.89 117.98 118.85 1pit s PHE 45 Ca 0.19 -0.54 0.16 0.00 0.12 0.00 0.00 56.93 56.87 1pit s PHE 45 Cb -0.21 -2.18 -0.23 0.00 -0.57 0.00 0.00 43.02 39.83 1pit s PHE 45 CO -0.01 -0.33 0.07 1.63 -0.10 0.00 0.00 175.22 176.47 1pit n LYS 46 N -1.70 0.97 -3.99 0.44 5.02 -1.26 -1.36 118.16 116.28 1pit n LYS 46 Ca 0.05 -0.01 -0.08 0.00 -2.02 0.00 0.00 58.31 56.25 1pit n LYS 46 Cb 0.62 -1.48 -0.09 0.00 -0.02 0.00 0.00 35.03 34.06 1pit n LYS 46 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1pit s SER 47 N -5.28 0.31 0.24 4.39 1.04 -1.26 -4.78 113.70 108.36 1pit s SER 47 Ca -0.09 -0.78 -0.05 0.00 0.48 0.00 0.00 55.95 55.52 1pit s SER 47 Cb 0.06 0.24 0.27 0.00 0.10 0.00 0.00 66.02 66.69 1pit s SER 47 CO 0.76 -0.60 1.80 0.00 0.98 0.00 0.00 173.24 176.18 1pit h ALA 48 N 3.24 1.12 -0.23 5.32 0.00 -1.96 -1.21 119.26 125.54 1pit h ALA 48 Ca -0.34 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.40 1pit h ALA 48 Cb 1.17 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 1pit h ALA 48 CO 0.59 0.61 -0.33 0.93 0.00 0.00 0.00 179.25 181.04 1pit h GLU 49 N 0.99 -0.24 -0.50 0.00 4.39 -1.98 0.88 114.58 118.12 1pit h GLU 49 Ca 0.22 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.92 1pit h GLU 49 Cb 0.26 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 1pit h GLU 49 CO -0.01 -0.16 0.26 -0.44 -1.16 0.00 0.00 179.01 177.50 1pit h ASP 50 N -0.25 0.64 -0.20 1.42 3.32 -1.92 0.14 116.42 119.57 1pit h ASP 50 Ca 0.04 -0.11 0.05 0.00 0.02 0.00 0.00 57.03 57.03 1pit h ASP 50 Cb 0.36 -0.16 -0.07 0.00 0.22 0.00 0.00 39.33 39.67 1pit h ASP 50 CO -0.35 0.57 -0.40 0.00 -1.72 0.00 0.00 179.24 177.34 1pit h MET 52 N -0.43 1.04 -0.52 0.00 4.05 -0.25 0.17 114.93 118.99 1pit h MET 52 Ca 0.10 -0.34 0.01 0.00 -0.28 0.00 0.00 59.70 59.18 1pit h MET 52 Cb 0.60 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.28 1pit h MET 52 CO -0.43 1.03 0.35 0.00 0.23 0.00 0.00 176.91 178.09 1pit h ARG 53 N 0.95 0.67 -0.05 0.39 3.08 -0.51 0.62 114.38 119.53 1pit h ARG 53 Ca 0.16 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 60.04 1pit h ARG 53 Cb 0.58 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 30.49 1pit h ARG 53 CO 0.03 0.45 -0.51 1.15 -1.07 0.00 0.00 179.97 180.02 1pit h THR 54 N 0.69 1.41 0.00 2.04 2.02 0.26 -3.44 112.91 115.89 1pit h THR 54 Ca 0.19 -1.93 -0.18 0.00 0.77 0.00 0.00 66.41 65.27 1pit h THR 54 Cb -0.06 2.42 -0.13 0.00 -1.74 0.00 0.00 68.15 68.63 1pit h THR 54 CO -0.04 0.56 -0.21 0.00 0.37 0.00 0.00 175.52 176.20 1pit h GLY 56 N 2.33 -0.68 -3.50 0.00 0.00 0.16 -3.42 103.07 97.97 1pit h GLY 56 Ca -0.26 0.25 0.35 0.00 0.00 0.00 0.00 47.33 47.68 1pit h GLY 56 CO 0.01 -0.25 0.97 -0.32 0.00 0.00 0.00 176.54 176.95 1pit s GLY 57 N -2.27 -0.34 0.00 4.60 0.00 -1.26 -4.98 107.32 103.06 1pit s GLY 57 Ca -0.16 1.44 0.00 0.00 0.00 0.00 0.00 44.72 46.01 1pit s GLY 57 CO 0.60 0.42 0.00 0.00 0.00 0.00 0.00 173.10 174.11