#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 3.75 0.34 -0.14 0.04 -1.26 -4.99 135.00 132.73 1pit s PRO 2 Ca 0.00 0.44 0.02 0.00 0.04 0.00 0.00 61.00 61.51 1pit s PRO 2 Cb 0.00 -2.38 0.62 0.00 0.04 0.00 0.00 34.50 32.77 1pit s PRO 2 CO 0.00 -0.07 1.96 -0.44 0.04 0.00 0.00 177.00 178.50 1pit h ASP 3 N 1.11 0.78 0.01 6.66 3.32 -2.03 -1.06 116.42 125.20 1pit h ASP 3 Ca -0.47 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.57 1pit h ASP 3 Cb 1.19 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.56 1pit h ASP 3 CO 0.63 0.53 -0.00 2.19 -1.72 0.00 0.00 179.24 180.87 1pit h PHE 4 N 0.90 0.00 0.00 4.55 -5.15 -1.99 -0.60 116.94 114.66 1pit h PHE 4 Ca 0.31 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.08 1pit h PHE 4 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.26 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 -1.39 2.33 -4.78 0.00 4.32 -0.23 -4.36 117.00 112.90 1pit n LEU 6 Ca 0.02 -1.32 -0.37 0.00 -0.02 0.00 0.00 56.01 54.32 1pit n LEU 6 Cb 0.05 -0.08 -0.02 0.00 -1.62 0.00 0.00 43.42 41.75 1pit n LEU 6 CO 0.04 0.50 0.79 -1.83 -1.22 0.00 0.00 177.39 175.67 1pit s GLU 7 N -1.01 3.91 0.76 3.23 -1.05 0.16 -4.71 118.70 119.99 1pit s GLU 7 Ca 0.18 1.67 -0.11 0.00 -0.15 0.00 0.00 54.97 56.56 1pit s GLU 7 Cb 0.11 -2.46 0.05 0.00 -0.44 0.00 0.00 34.13 31.39 1pit s GLU 7 CO 0.16 -0.40 1.09 -1.25 0.95 0.00 0.00 175.26 175.82 1pit s PRO 8 N -2.63 2.34 -0.79 -4.83 0.04 -1.26 -4.90 135.00 122.97 1pit s PRO 8 Ca 0.61 1.20 -0.26 0.00 0.04 0.00 0.00 61.00 62.60 1pit s PRO 8 Cb -0.26 -1.91 0.01 0.00 0.04 0.00 0.00 34.50 32.38 1pit s PRO 8 CO 0.32 -1.58 1.59 -1.25 0.04 0.00 0.00 177.00 176.12 1pit s PRO 9 N -4.79 3.01 -0.26 0.56 0.04 -1.26 -4.96 135.00 127.34 1pit s PRO 9 Ca 0.62 -0.20 -0.26 0.00 0.04 0.00 0.00 61.00 61.20 1pit s PRO 9 Cb -0.18 -4.64 0.00 0.00 0.04 0.00 0.00 34.50 29.73 1pit s PRO 9 CO 0.54 -2.53 0.90 -0.47 0.04 0.00 0.00 177.00 175.47 1pit s TYR 10 N 7.24 3.28 0.10 0.56 5.04 -1.26 -4.94 117.35 127.36 1pit s TYR 10 Ca 0.52 1.15 -0.14 0.00 -2.44 0.00 0.00 57.07 56.16 1pit s TYR 10 Cb -0.07 -3.21 -0.12 0.00 0.35 0.00 0.00 41.96 38.91 1pit s TYR 10 CO 0.09 -0.49 1.35 1.15 -1.34 0.00 0.00 175.55 176.30 1pit h THR 11 N 5.50 1.30 0.00 4.34 2.02 -1.93 -3.43 112.91 120.71 1pit h THR 11 Ca -0.22 -1.73 0.00 0.00 0.77 0.00 0.00 66.41 65.22 1pit h THR 11 Cb 1.08 1.80 0.00 0.00 -1.74 0.00 0.00 68.15 69.29 1pit h THR 11 CO 0.92 0.55 0.00 0.61 0.37 0.00 0.00 175.52 177.97 1pit n GLY 12 N 0.46 0.52 2.46 2.16 0.00 -1.26 -0.26 105.19 109.26 1pit n GLY 12 Ca -0.06 -1.56 -0.21 0.00 0.00 0.00 0.00 46.02 44.19 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 0.89 2.17 -4.78 1.61 -0.04 -1.26 -4.70 135.00 128.89 1pit n PRO 13 Ca 0.00 -1.39 -0.26 0.00 -0.04 0.00 0.00 63.50 61.82 1pit n PRO 13 Cb 0.00 -2.36 -0.15 0.00 -0.04 0.00 0.00 33.50 30.95 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 2.24 4.98 -3.83 0.00 4.01 -1.26 -4.66 118.16 119.64 1pit n LYS 15 Ca -0.16 -4.65 -0.09 0.00 -0.51 0.00 0.00 58.31 52.89 1pit n LYS 15 Cb 0.53 -2.46 -0.05 0.00 -0.51 0.00 0.00 35.03 32.54 1pit n LYS 15 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1pit s ALA 16 N -3.82 -0.59 -0.15 7.82 0.00 -1.26 -5.08 121.76 118.68 1pit s ALA 16 Ca 0.37 -0.48 -0.04 0.00 0.00 0.00 0.00 51.96 51.81 1pit s ALA 16 Cb 0.16 0.86 0.06 0.00 0.00 0.00 0.00 23.12 24.20 1pit s ALA 16 CO -0.06 -0.76 0.09 1.03 0.00 0.00 0.00 175.76 176.06 1pit s ARG 17 N -3.91 0.04 -0.12 0.00 0.52 -1.22 -4.22 118.95 110.04 1pit s ARG 17 Ca 0.13 0.02 -0.01 0.00 -0.52 0.00 0.00 55.73 55.35 1pit s ARG 17 Cb 0.00 -1.56 0.03 0.00 0.52 0.00 0.00 34.95 33.94 1pit s ARG 17 CO -0.01 -0.61 -0.05 0.42 0.02 0.00 0.00 175.30 175.07 1pit s ILE 18 N 2.16 0.90 0.04 1.52 1.01 0.83 -4.94 121.20 122.72 1pit s ILE 18 Ca 0.03 -0.27 -0.30 0.00 0.00 0.00 0.00 60.65 60.11 1pit s ILE 18 Cb -0.15 -0.98 -0.08 0.00 0.01 0.00 0.00 42.46 41.26 1pit s ILE 18 CO -0.08 0.29 1.70 -0.63 0.00 0.00 0.00 174.94 176.22 1pit s ILE 19 N 1.75 3.12 0.36 2.92 -1.09 -1.26 -0.31 121.20 126.69 1pit s ILE 19 Ca 0.04 0.45 0.05 0.00 -2.23 0.00 0.00 60.65 58.96 1pit s ILE 19 Cb -0.13 -3.29 -0.03 0.00 -1.58 0.00 0.00 42.46 37.43 1pit s ILE 19 CO -0.08 -0.01 0.19 -0.13 -1.23 0.00 0.00 174.94 173.68 1pit s ARG 20 N 3.16 1.79 0.23 2.79 1.81 0.16 -4.91 118.95 123.98 1pit s ARG 20 Ca 0.76 -2.06 0.06 0.00 -1.72 0.00 0.00 55.73 52.77 1pit s ARG 20 Cb -0.39 -0.15 -0.05 0.00 -0.45 0.00 0.00 34.95 33.90 1pit s ARG 20 CO 0.33 -0.54 -0.08 0.71 -0.68 0.00 0.00 175.30 175.05 1pit s TYR 21 N -3.39 1.69 0.02 -0.53 1.51 -0.09 -0.04 117.35 116.52 1pit s TYR 21 Ca 0.32 -0.72 -0.28 0.00 -1.01 0.00 0.00 57.07 55.38 1pit s TYR 21 Cb 0.03 -0.91 0.07 0.00 -0.11 0.00 0.00 41.96 41.04 1pit s TYR 21 CO 0.20 0.20 0.65 -0.59 -1.11 0.00 0.00 175.55 174.89 1pit s PHE 22 N -3.14 -0.61 -0.38 2.71 -0.71 -0.20 -0.48 117.98 115.17 1pit s PHE 22 Ca 0.25 0.86 -0.29 0.00 -1.04 0.00 0.00 56.93 56.71 1pit s PHE 22 Cb 0.03 0.45 0.02 0.00 -1.21 0.00 0.00 43.02 42.31 1pit s PHE 22 CO 0.08 -0.68 1.08 -0.47 -1.34 0.00 0.00 175.22 173.89 1pit s TYR 23 N -2.02 3.02 -0.81 3.49 6.14 -1.26 -0.96 117.35 124.95 1pit s TYR 23 Ca -0.07 0.97 -0.15 0.00 0.64 0.00 0.00 57.07 58.46 1pit s TYR 23 Cb -0.00 -3.95 0.19 0.00 0.42 0.00 0.00 41.96 38.61 1pit s TYR 23 CO 0.02 -0.95 0.81 1.21 0.64 0.00 0.00 175.55 177.28 1pit s ASN 24 N 1.97 6.66 0.45 4.32 2.47 -1.20 -4.55 114.94 125.07 1pit s ASN 24 Ca 0.45 -2.43 0.20 0.00 0.42 0.00 0.00 52.86 51.50 1pit s ASN 24 Cb -0.10 -2.25 1.07 0.00 -1.45 0.00 0.00 41.25 38.52 1pit s ASN 24 CO 0.22 -0.72 1.55 0.00 -3.72 0.00 0.00 177.10 174.43 1pit h ALA 25 N 8.14 1.24 0.00 1.71 0.00 -1.84 0.23 119.26 128.74 1pit h ALA 25 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1pit h ALA 25 Cb 1.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1pit h ALA 25 CO 0.86 -0.24 0.00 -0.22 0.00 0.00 0.00 179.25 179.65 1pit h LYS 26 N 0.00 0.00 0.00 0.00 3.11 -1.91 -3.37 116.57 114.40 1pit h LYS 26 Ca 0.00 0.00 -0.05 0.00 -2.81 0.00 0.00 60.65 57.79 1pit h LYS 26 Cb 0.60 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.82 1pit h LYS 26 CO 0.00 0.00 -1.17 0.00 -2.81 0.00 0.00 179.45 175.47 1pit n ALA 27 N -1.95 1.94 0.00 5.00 0.00 0.36 -5.16 120.51 120.69 1pit n ALA 27 Ca 0.05 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1pit n ALA 27 Cb 0.48 0.26 0.00 0.00 0.00 0.00 0.00 19.45 20.19 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 2.98 1.43 6.68 0.00 0.00 0.55 -5.08 105.19 111.74 1pit n GLY 28 Ca -0.04 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.86 1pit n GLY 28 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1pit n LEU 29 N 0.00 0.00 -4.14 0.99 -0.00 -1.26 -4.27 117.00 108.32 1pit n LEU 29 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 56.01 55.74 1pit n LEU 29 Cb 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.26 1pit n LEU 29 CO 0.00 0.00 -0.51 0.00 -0.00 0.00 0.00 177.39 176.88 1pit s GLN 31 N 0.18 1.58 0.48 0.00 1.11 -0.13 -4.95 119.66 117.94 1pit s GLN 31 Ca -0.08 -1.85 -0.04 0.00 0.01 0.00 0.00 55.36 53.41 1pit s GLN 31 Cb -0.13 -0.95 -0.02 0.00 -1.01 0.00 0.00 33.01 30.89 1pit s GLN 31 CO 0.04 -0.10 0.76 0.95 0.01 0.00 0.00 175.29 176.95 1pit s THR 32 N -3.20 4.61 0.22 -0.19 -4.23 -1.26 -1.03 115.64 110.55 1pit s THR 32 Ca 0.33 -0.00 -0.23 0.00 -1.18 0.00 0.00 61.69 60.61 1pit s THR 32 Cb 0.07 -3.75 0.04 0.00 1.34 0.00 0.00 72.50 70.20 1pit s THR 32 CO 0.13 -0.68 0.80 0.72 -0.54 0.00 0.00 174.62 175.05 1pit s PHE 33 N -2.71 -0.20 -0.10 3.99 -0.71 0.94 -4.88 117.98 114.32 1pit s PHE 33 Ca 0.48 -0.18 -0.19 0.00 -1.04 0.00 0.00 56.93 56.00 1pit s PHE 33 Cb -0.10 0.67 -0.04 0.00 -1.21 0.00 0.00 43.02 42.33 1pit s PHE 33 CO 0.43 -1.05 0.50 0.08 -1.34 0.00 0.00 175.22 173.84 1pit s VAL 34 N -3.66 5.15 0.12 -2.49 1.01 -1.26 -0.66 120.40 118.61 1pit s VAL 34 Ca 0.11 1.00 0.09 0.00 0.00 0.00 0.00 61.98 63.18 1pit s VAL 34 Cb -0.04 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 1pit s VAL 34 CO 0.03 0.34 -0.18 -0.47 0.00 0.00 0.00 175.10 174.83 1pit s TYR 35 N 0.49 2.54 0.00 5.22 5.04 0.57 -4.66 117.35 126.54 1pit s TYR 35 Ca 0.27 -0.26 0.00 0.00 -2.44 0.00 0.00 57.07 54.64 1pit s TYR 35 Cb -0.16 -1.34 0.00 0.00 0.35 0.00 0.00 41.96 40.81 1pit s TYR 35 CO 0.11 0.39 0.30 0.41 -1.34 0.00 0.00 175.55 175.43 1pit n GLY 36 N 0.77 -2.36 0.00 8.97 0.00 0.64 -0.12 105.19 113.09 1pit n GLY 36 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.04 0.65 3.92 -0.02 0.00 -1.26 -3.44 105.19 105.00 1pit n GLY 37 Ca 0.00 -0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.59 -7.40 -1.25 0.00 5.12 -1.26 -4.73 116.66 105.55 1pit n ARG 39 Ca 0.03 0.82 -0.33 0.00 -1.93 0.00 0.00 57.85 56.44 1pit n ARG 39 Cb 0.60 -5.79 0.11 0.00 -1.16 0.00 0.00 32.46 26.22 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 -3.29 2.00 0.26 7.54 0.00 -1.26 -4.79 121.76 122.22 1pit s ALA 40 Ca 0.54 0.69 0.02 0.00 0.00 0.00 0.00 51.96 53.21 1pit s ALA 40 Cb -0.24 -3.42 0.02 0.00 0.00 0.00 0.00 23.12 19.48 1pit s ALA 40 CO 0.67 -2.04 0.16 1.63 0.00 0.00 0.00 175.76 176.18 1pit n LYS 41 N -3.19 1.15 0.11 0.00 4.01 -1.26 -5.07 118.16 113.91 1pit n LYS 41 Ca 0.12 -1.69 -0.22 0.00 -0.51 0.00 0.00 58.31 56.01 1pit n LYS 41 Cb 0.51 0.23 -0.14 0.00 -0.51 0.00 0.00 35.03 35.13 1pit n LYS 41 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1pit h ARG 42 N 0.00 0.55 -2.45 1.97 2.47 -1.97 -3.34 114.38 111.60 1pit h ARG 42 Ca -0.18 -0.82 -0.36 0.00 -1.26 0.00 0.00 59.98 57.37 1pit h ARG 42 Cb 0.62 0.29 -0.03 0.00 -1.65 0.00 0.00 29.97 29.19 1pit h ARG 42 CO 0.28 1.38 1.24 -1.71 0.56 0.00 0.00 179.97 181.72 1pit n ASN 43 N -3.73 6.24 -3.71 7.04 5.15 -1.26 -4.74 115.26 120.25 1pit n ASN 43 Ca -0.14 -2.47 -0.28 0.00 -0.60 0.00 0.00 54.58 51.09 1pit n ASN 43 Cb 1.03 -1.40 -0.16 0.00 -0.53 0.00 0.00 39.78 38.72 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 2.17 3.20 0.42 1.20 -0.87 -1.26 -4.38 114.94 115.42 1pit s ASN 44 Ca 0.64 -1.04 0.06 0.00 -1.57 0.00 0.00 52.86 50.95 1pit s ASN 44 Cb 0.25 -0.62 -0.07 0.00 -0.02 0.00 0.00 41.25 40.80 1pit s ASN 44 CO -0.02 -0.34 0.01 -0.36 -2.57 0.00 0.00 177.10 173.82 1pit s PHE 45 N 1.84 2.36 -0.84 2.20 0.08 0.37 -4.94 117.98 119.05 1pit s PHE 45 Ca 0.02 -0.75 0.09 0.00 0.12 0.00 0.00 56.93 56.42 1pit s PHE 45 Cb -0.17 -1.71 -0.00 0.00 -0.57 0.00 0.00 43.02 40.56 1pit s PHE 45 CO -0.15 0.37 0.60 1.63 -0.10 0.00 0.00 175.22 177.58 1pit n LYS 46 N -1.00 2.14 -3.45 0.44 5.02 -1.26 -0.92 118.16 119.14 1pit n LYS 46 Ca -0.07 -0.57 -0.12 0.00 -2.02 0.00 0.00 58.31 55.52 1pit n LYS 46 Cb 0.67 -1.06 -0.02 0.00 -0.02 0.00 0.00 35.03 34.60 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 -1.29 -0.54 0.24 4.39 1.04 -1.26 -4.90 113.70 111.38 1pit s SER 47 Ca 0.08 -0.01 -0.04 0.00 0.48 0.00 0.00 55.95 56.46 1pit s SER 47 Cb 0.07 0.58 0.26 0.00 0.10 0.00 0.00 66.02 67.03 1pit s SER 47 CO 0.23 -0.94 1.75 0.00 0.98 0.00 0.00 173.24 175.25 1pit h ALA 48 N 2.08 1.05 -0.21 5.32 0.00 -1.95 -1.51 119.26 124.04 1pit h ALA 48 Ca -0.34 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.36 1pit h ALA 48 Cb 1.30 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.79 1pit h ALA 48 CO 0.39 0.61 -0.46 0.93 0.00 0.00 0.00 179.25 180.72 1pit h GLU 49 N 0.87 -0.46 -0.19 0.00 4.39 -1.99 0.14 114.58 117.35 1pit h GLU 49 Ca 0.18 0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.88 1pit h GLU 49 Cb 0.41 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 1pit h GLU 49 CO 0.01 -0.30 0.00 0.22 -1.16 0.00 0.00 179.01 177.78 1pit h ASP 50 N -0.47 0.33 -0.39 1.42 1.82 -1.94 0.47 116.42 117.65 1pit h ASP 50 Ca 0.08 -0.31 0.07 0.00 -0.39 0.00 0.00 57.03 56.48 1pit h ASP 50 Cb 0.63 -0.09 -0.09 0.00 0.68 0.00 0.00 39.33 40.46 1pit h ASP 50 CO -0.46 0.56 -0.43 0.00 -1.61 0.00 0.00 179.24 177.30 1pit h MET 52 N -0.33 -0.37 -0.98 0.00 2.86 -0.59 -2.12 114.93 113.40 1pit h MET 52 Ca 0.13 0.03 0.16 0.00 -2.06 0.00 0.00 59.70 57.96 1pit h MET 52 Cb 0.58 0.09 -0.09 0.00 0.06 0.00 0.00 31.60 32.24 1pit h MET 52 CO -0.57 -0.17 0.61 0.00 1.06 0.00 0.00 176.91 177.84 1pit h ARG 53 N -0.50 0.80 -0.24 1.72 3.08 -0.61 0.55 114.38 119.18 1pit h ARG 53 Ca -0.04 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1pit h ARG 53 Cb 0.37 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1pit h ARG 53 CO 0.07 0.53 0.15 1.15 -1.07 0.00 0.00 179.97 180.79 1pit h THR 54 N 0.82 1.05 0.00 2.04 2.02 -0.50 -3.38 112.91 114.96 1pit h THR 54 Ca 0.52 -0.10 -0.40 0.00 0.77 0.00 0.00 66.41 67.19 1pit h THR 54 Cb 0.73 0.72 -0.06 0.00 -1.74 0.00 0.00 68.15 67.79 1pit h THR 54 CO -0.29 0.06 -2.17 0.00 0.37 0.00 0.00 175.52 173.48 1pit n GLY 56 N 1.31 1.46 3.63 0.00 0.00 0.18 -4.31 105.19 107.46 1pit n GLY 56 Ca -0.48 -0.84 -0.35 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.38 0.00 -0.02 0.00 -1.26 -4.82 105.19 98.71 1pit n GLY 57 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1pit n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32