#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 4.55 0.34 -0.14 0.04 -1.26 -4.97 135.00 133.56 1pit s PRO 2 Ca 0.00 1.54 0.03 0.00 0.04 0.00 0.00 61.00 62.61 1pit s PRO 2 Cb 0.00 -2.94 0.60 0.00 0.04 0.00 0.00 34.50 32.20 1pit s PRO 2 CO 0.00 0.20 1.93 0.22 0.04 0.00 0.00 177.00 179.40 1pit h ASP 3 N 3.39 0.63 -0.03 6.66 1.82 -2.04 -1.22 116.42 125.63 1pit h ASP 3 Ca -0.47 -0.07 0.01 0.00 -0.39 0.00 0.00 57.03 56.11 1pit h ASP 3 Cb 1.20 -0.16 -0.00 0.00 0.68 0.00 0.00 39.33 41.05 1pit h ASP 3 CO 0.65 0.57 0.06 2.19 -1.61 0.00 0.00 179.24 181.10 1pit h PHE 4 N 0.70 0.00 0.00 0.28 -5.15 -1.99 -0.40 116.94 110.37 1pit h PHE 4 Ca 0.17 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.94 1pit h PHE 4 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.29 1pit h PHE 4 CO 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 178.31 176.32 1pit n LEU 6 N -1.98 2.89 -4.77 0.00 4.32 -0.16 -4.40 117.00 112.90 1pit n LEU 6 Ca -0.00 -1.14 -0.38 0.00 -0.02 0.00 0.00 56.01 54.47 1pit n LEU 6 Cb 0.06 -0.13 -0.03 0.00 -1.62 0.00 0.00 43.42 41.70 1pit n LEU 6 CO 0.09 0.57 0.79 -1.83 -1.22 0.00 0.00 177.39 175.79 1pit s GLU 7 N -1.74 4.21 0.67 3.23 -1.05 0.35 -4.83 118.70 119.54 1pit s GLU 7 Ca 0.34 1.72 -0.15 0.00 -0.15 0.00 0.00 54.97 56.74 1pit s GLU 7 Cb 0.21 -2.74 0.00 0.00 -0.44 0.00 0.00 34.13 31.17 1pit s GLU 7 CO 0.31 -0.15 1.11 -1.25 0.95 0.00 0.00 175.26 176.23 1pit s PRO 8 N -2.19 2.75 -0.42 -4.83 0.04 -1.26 -4.92 135.00 124.17 1pit s PRO 8 Ca 0.55 1.38 -0.27 0.00 0.04 0.00 0.00 61.00 62.69 1pit s PRO 8 Cb -0.28 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.28 1pit s PRO 8 CO 0.35 -1.29 1.98 -1.25 0.04 0.00 0.00 177.00 176.84 1pit s PRO 9 N -4.15 2.90 -0.55 0.56 0.04 -1.26 -4.95 135.00 127.60 1pit s PRO 9 Ca 0.67 1.30 -0.18 0.00 0.04 0.00 0.00 61.00 62.82 1pit s PRO 9 Cb -0.20 -4.34 0.09 0.00 0.04 0.00 0.00 34.50 30.08 1pit s PRO 9 CO 0.43 -2.37 0.63 -0.47 0.04 0.00 0.00 177.00 175.25 1pit s TYR 10 N 8.60 3.06 0.32 0.56 6.14 -1.26 -4.93 117.35 129.84 1pit s TYR 10 Ca 0.83 -0.85 0.01 0.00 0.64 0.00 0.00 57.07 57.69 1pit s TYR 10 Cb -0.20 -3.75 0.52 0.00 0.42 0.00 0.00 41.96 38.95 1pit s TYR 10 CO 0.29 -1.13 1.93 1.15 0.64 0.00 0.00 175.55 178.43 1pit h THR 11 N 5.88 1.19 0.00 4.34 2.02 -1.92 -3.43 112.91 120.99 1pit h THR 11 Ca -0.29 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.37 1pit h THR 11 Cb 1.09 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1pit h THR 11 CO 1.03 0.22 0.00 0.61 0.37 0.00 0.00 175.52 177.75 1pit n GLY 12 N -1.19 -0.59 2.83 2.16 0.00 -1.26 -0.34 105.19 106.80 1pit n GLY 12 Ca 0.06 -1.43 -0.33 0.00 0.00 0.00 0.00 46.02 44.31 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 0.21 1.89 -4.43 1.61 -0.04 -1.26 -4.69 135.00 128.29 1pit n PRO 13 Ca 0.00 -1.70 -0.20 0.00 -0.04 0.00 0.00 63.50 61.56 1pit n PRO 13 Cb 0.00 -2.71 -0.14 0.00 -0.04 0.00 0.00 33.50 30.61 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 2.42 5.24 -4.11 0.00 0.00 -1.26 -4.51 118.16 115.93 1pit n LYS 15 Ca -0.16 -4.44 -0.13 0.00 0.00 0.00 0.00 58.31 53.59 1pit n LYS 15 Cb 0.55 -2.51 -0.06 0.00 0.00 0.00 0.00 35.03 33.02 1pit n LYS 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1pit s ALA 16 N -3.64 0.69 -0.08 3.14 0.00 -1.26 -5.09 121.76 115.53 1pit s ALA 16 Ca 0.41 -1.44 -0.03 0.00 0.00 0.00 0.00 51.96 50.90 1pit s ALA 16 Cb 0.18 1.22 0.04 0.00 0.00 0.00 0.00 23.12 24.57 1pit s ALA 16 CO -0.11 -0.74 0.17 1.03 0.00 0.00 0.00 175.76 176.11 1pit s ARG 17 N -3.65 0.12 -0.10 0.00 3.00 -1.12 -4.34 118.95 112.86 1pit s ARG 17 Ca 0.31 0.43 -0.04 0.00 0.00 0.00 0.00 55.73 56.43 1pit s ARG 17 Cb 0.02 -0.17 0.05 0.00 0.00 0.00 0.00 34.95 34.85 1pit s ARG 17 CO 0.16 -0.18 0.20 0.42 0.00 0.00 0.00 175.30 175.91 1pit s ILE 18 N 1.28 -0.22 0.15 1.52 1.01 0.13 -4.96 121.20 120.11 1pit s ILE 18 Ca -0.08 0.26 -0.31 0.00 0.00 0.00 0.00 60.65 60.51 1pit s ILE 18 Cb -0.11 -0.34 -0.10 0.00 0.01 0.00 0.00 42.46 41.91 1pit s ILE 18 CO -0.07 0.11 1.67 -0.63 0.00 0.00 0.00 174.94 176.03 1pit s ILE 19 N 1.92 2.50 0.29 2.92 -1.09 -1.26 -0.33 121.20 126.15 1pit s ILE 19 Ca -0.02 0.26 0.05 0.00 -2.23 0.00 0.00 60.65 58.70 1pit s ILE 19 Cb -0.12 -3.17 -0.03 0.00 -1.58 0.00 0.00 42.46 37.56 1pit s ILE 19 CO -0.07 0.01 0.23 -0.13 -1.23 0.00 0.00 174.94 173.75 1pit s ARG 20 N 1.69 1.60 0.23 2.79 1.81 -0.01 -4.88 118.95 122.18 1pit s ARG 20 Ca 0.74 -1.91 0.05 0.00 -1.72 0.00 0.00 55.73 52.90 1pit s ARG 20 Cb -0.45 0.28 -0.05 0.00 -0.45 0.00 0.00 34.95 34.28 1pit s ARG 20 CO 0.32 -0.57 -0.06 0.71 -0.68 0.00 0.00 175.30 175.02 1pit s TYR 21 N -3.65 1.67 -0.05 -0.53 1.51 0.05 -0.18 117.35 116.17 1pit s TYR 21 Ca 0.40 -0.76 -0.18 0.00 -1.01 0.00 0.00 57.07 55.52 1pit s TYR 21 Cb 0.04 -0.91 0.04 0.00 -0.11 0.00 0.00 41.96 41.01 1pit s TYR 21 CO 0.23 0.16 0.40 -0.59 -1.11 0.00 0.00 175.55 174.64 1pit s PHE 22 N -3.19 -0.32 0.00 2.71 -0.71 0.39 -0.53 117.98 116.34 1pit s PHE 22 Ca 0.26 0.59 -0.30 0.00 -1.04 0.00 0.00 56.93 56.44 1pit s PHE 22 Cb 0.03 0.17 -0.06 0.00 -1.21 0.00 0.00 43.02 41.94 1pit s PHE 22 CO 0.08 -0.40 1.58 -0.47 -1.34 0.00 0.00 175.22 174.67 1pit s TYR 23 N -1.00 2.40 -0.51 3.49 6.14 -1.26 -0.53 117.35 126.06 1pit s TYR 23 Ca -0.10 0.42 -0.14 0.00 0.64 0.00 0.00 57.07 57.89 1pit s TYR 23 Cb -0.04 -3.86 0.12 0.00 0.42 0.00 0.00 41.96 38.61 1pit s TYR 23 CO 0.05 -3.43 0.44 1.21 0.64 0.00 0.00 175.55 174.46 1pit s ASN 24 N 2.57 6.02 0.62 4.32 2.47 -0.01 -4.70 114.94 126.23 1pit s ASN 24 Ca 0.71 -1.82 0.27 0.00 0.42 0.00 0.00 52.86 52.44 1pit s ASN 24 Cb -0.35 -2.14 1.33 0.00 -1.45 0.00 0.00 41.25 38.64 1pit s ASN 24 CO 0.29 -0.80 1.75 0.00 -3.72 0.00 0.00 177.10 174.63 1pit h ALA 25 N 8.74 2.08 0.00 1.71 0.00 -1.84 0.42 119.26 130.38 1pit h ALA 25 Ca -0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1pit h ALA 25 Cb 1.09 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1pit h ALA 25 CO 0.97 -0.80 0.00 -0.22 0.00 0.00 0.00 179.25 179.21 1pit h LYS 26 N 0.00 0.00 0.00 0.00 3.64 -1.94 -3.20 116.57 115.07 1pit h LYS 26 Ca 0.19 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 1pit h LYS 26 Cb 1.37 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.19 1pit h LYS 26 CO -0.00 0.00 -1.17 0.00 -2.27 0.00 0.00 179.45 176.01 1pit n ALA 27 N -1.80 2.09 -1.70 5.00 0.00 0.09 -5.04 120.51 119.15 1pit n ALA 27 Ca 0.04 -0.11 -0.04 0.00 0.00 0.00 0.00 53.44 53.34 1pit n ALA 27 Cb 0.36 -0.07 -0.01 0.00 0.00 0.00 0.00 19.45 19.74 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 2.39 0.39 3.59 0.00 0.00 0.13 -5.03 105.19 106.67 1pit n GLY 28 Ca -0.01 -0.79 -0.09 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.01 0.23 -0.18 0.99 0.20 -1.20 -4.98 118.68 112.73 1pit s LEU 29 Ca 0.00 -0.78 -0.24 0.00 0.69 0.00 0.00 54.13 53.80 1pit s LEU 29 Cb 0.00 1.95 -0.02 0.00 -0.43 0.00 0.00 46.19 47.69 1pit s LEU 29 CO 0.00 -1.13 0.77 0.00 -0.29 0.00 0.00 176.35 175.70 1pit s GLN 31 N 2.05 1.02 0.45 0.00 -0.21 0.30 -4.89 119.66 118.39 1pit s GLN 31 Ca 0.35 -1.45 -0.05 0.00 0.02 0.00 0.00 55.36 54.23 1pit s GLN 31 Cb -0.16 -0.41 -0.04 0.00 1.00 0.00 0.00 33.01 33.40 1pit s GLN 31 CO 0.12 -0.02 0.75 0.95 -2.12 0.00 0.00 175.29 174.97 1pit s THR 32 N -3.51 4.93 0.23 -0.19 -4.23 -1.26 -0.46 115.64 111.15 1pit s THR 32 Ca 0.18 0.15 -0.22 0.00 -1.18 0.00 0.00 61.69 60.62 1pit s THR 32 Cb 0.04 -3.85 0.04 0.00 1.34 0.00 0.00 72.50 70.07 1pit s THR 32 CO 0.00 -0.77 0.70 0.72 -0.54 0.00 0.00 174.62 174.74 1pit s PHE 33 N -2.63 -0.29 -0.17 3.99 -0.71 0.75 -4.86 117.98 114.05 1pit s PHE 33 Ca 0.47 -0.08 -0.23 0.00 -1.04 0.00 0.00 56.93 56.05 1pit s PHE 33 Cb -0.10 0.66 -0.02 0.00 -1.21 0.00 0.00 43.02 42.34 1pit s PHE 33 CO 0.42 -1.09 0.72 0.08 -1.34 0.00 0.00 175.22 174.01 1pit s VAL 34 N -3.82 4.97 0.14 -2.49 1.01 -1.26 -0.83 120.40 118.12 1pit s VAL 34 Ca 0.08 1.39 0.06 0.00 0.00 0.00 0.00 61.98 63.51 1pit s VAL 34 Cb -0.04 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 1pit s VAL 34 CO 0.01 0.09 0.01 -0.47 0.00 0.00 0.00 175.10 174.74 1pit s TYR 35 N 1.88 2.93 -0.00 5.22 5.04 0.55 -4.69 117.35 128.28 1pit s TYR 35 Ca 0.33 -0.08 -0.01 0.00 -2.44 0.00 0.00 57.07 54.87 1pit s TYR 35 Cb -0.16 -1.46 -0.00 0.00 0.35 0.00 0.00 41.96 40.69 1pit s TYR 35 CO 0.12 0.50 0.45 0.78 -1.34 0.00 0.00 175.55 176.06 1pit h GLY 36 N 2.97 -0.03 0.00 8.97 0.00 -0.88 0.36 103.07 114.47 1pit h GLY 36 Ca -0.47 0.01 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1pit h GLY 36 CO 0.59 -0.01 0.00 0.61 0.00 0.00 0.00 176.54 177.73 1pit n GLY 37 N 0.66 0.15 3.65 4.60 0.00 -1.25 -2.79 105.19 110.21 1pit n GLY 37 Ca -0.00 0.11 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.91 -4.58 -0.62 0.00 3.00 -1.26 -4.50 116.66 107.79 1pit n ARG 39 Ca -0.06 0.72 -0.29 0.00 -0.01 0.00 0.00 57.85 58.20 1pit n ARG 39 Cb 0.59 -5.27 0.22 0.00 0.00 0.00 0.00 32.46 28.00 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 -3.31 0.34 0.42 7.54 0.00 -1.26 -4.67 121.76 120.82 1pit s ALA 40 Ca 0.10 0.17 0.01 0.00 0.00 0.00 0.00 51.96 52.24 1pit s ALA 40 Cb -0.01 -3.33 -0.00 0.00 0.00 0.00 0.00 23.12 19.77 1pit s ALA 40 CO 0.61 -3.39 0.02 1.63 0.00 0.00 0.00 175.76 174.63 1pit n LYS 41 N -4.63 0.89 0.10 0.00 4.01 -1.26 -5.08 118.16 112.19 1pit n LYS 41 Ca 0.07 -3.16 -0.20 0.00 -0.51 0.00 0.00 58.31 54.50 1pit n LYS 41 Cb 0.53 0.98 -0.13 0.00 -0.51 0.00 0.00 35.03 35.91 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 0.49 -2.69 1.97 3.08 -1.98 -3.31 114.38 111.94 1pit h ARG 42 Ca -0.35 -0.71 -0.37 0.00 0.07 0.00 0.00 59.98 58.62 1pit h ARG 42 Cb 1.09 0.24 -0.01 0.00 0.08 0.00 0.00 29.97 31.37 1pit h ARG 42 CO 0.58 1.32 1.66 -1.71 -1.07 0.00 0.00 179.97 180.75 1pit n ASN 43 N -3.71 5.94 -3.52 7.04 5.15 -1.26 -4.69 115.26 120.20 1pit n ASN 43 Ca -0.12 -2.40 -0.28 0.00 -0.60 0.00 0.00 54.58 51.17 1pit n ASN 43 Cb 1.00 -1.29 -0.14 0.00 -0.53 0.00 0.00 39.78 38.81 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 2.41 3.37 0.42 1.20 3.84 -1.25 -4.39 114.94 120.54 1pit s ASN 44 Ca 0.57 -1.37 0.07 0.00 0.21 0.00 0.00 52.86 52.34 1pit s ASN 44 Cb 0.21 -0.31 -0.05 0.00 -0.55 0.00 0.00 41.25 40.55 1pit s ASN 44 CO -0.03 -0.42 0.15 -0.36 -2.79 0.00 0.00 177.10 173.66 1pit s PHE 45 N 1.98 2.52 -0.65 0.43 0.08 0.31 -4.92 117.98 117.73 1pit s PHE 45 Ca 0.10 -0.63 0.17 0.00 0.12 0.00 0.00 56.93 56.69 1pit s PHE 45 Cb -0.17 -1.91 -0.20 0.00 -0.57 0.00 0.00 43.02 40.17 1pit s PHE 45 CO -0.32 0.20 0.65 1.63 -0.10 0.00 0.00 175.22 177.28 1pit n LYS 46 N -1.22 1.34 -3.51 0.44 5.02 -1.26 -0.77 118.16 118.19 1pit n LYS 46 Ca -0.03 -0.03 -0.09 0.00 -2.02 0.00 0.00 58.31 56.14 1pit n LYS 46 Cb 0.65 -1.31 -0.02 0.00 -0.02 0.00 0.00 35.03 34.34 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 -2.81 -0.43 0.26 4.39 1.04 -1.26 -4.87 113.70 110.02 1pit s SER 47 Ca 0.04 -0.07 -0.01 0.00 0.48 0.00 0.00 55.95 56.38 1pit s SER 47 Cb 0.12 0.51 0.35 0.00 0.10 0.00 0.00 66.02 67.10 1pit s SER 47 CO 0.69 -0.84 1.75 0.00 0.98 0.00 0.00 173.24 175.82 1pit h ALA 48 N 2.00 1.10 -0.31 5.32 0.00 -1.95 -1.76 119.26 123.66 1pit h ALA 48 Ca -0.27 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 1pit h ALA 48 Cb 1.27 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1pit h ALA 48 CO 0.33 0.57 0.19 1.05 0.00 0.00 0.00 179.25 181.38 1pit h GLU 49 N 0.68 0.41 -0.26 0.00 4.11 -1.98 0.15 114.58 117.70 1pit h GLU 49 Ca 0.13 -0.04 -0.09 0.00 0.07 0.00 0.00 59.36 59.43 1pit h GLU 49 Cb 0.50 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1pit h GLU 49 CO 0.03 0.32 -0.18 0.22 0.07 0.00 0.00 179.01 179.47 1pit h ASP 50 N 0.39 0.60 -0.30 3.06 3.58 -1.94 0.91 116.42 122.72 1pit h ASP 50 Ca 0.11 -0.44 0.07 0.00 0.42 0.00 0.00 57.03 57.19 1pit h ASP 50 Cb 0.01 -0.17 -0.08 0.00 1.72 0.00 0.00 39.33 40.82 1pit h ASP 50 CO -0.02 0.91 -0.23 0.00 -2.88 0.00 0.00 179.24 177.02 1pit h MET 52 N -0.20 0.11 -0.76 0.00 2.86 -0.52 0.14 114.93 116.56 1pit h MET 52 Ca 0.16 -0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.85 1pit h MET 52 Cb 0.44 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.03 1pit h MET 52 CO -0.42 0.07 0.50 0.00 1.06 0.00 0.00 176.91 178.12 1pit h ARG 53 N 0.11 0.78 -0.05 1.72 3.08 -0.23 0.67 114.38 120.46 1pit h ARG 53 Ca 0.07 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 1pit h ARG 53 Cb 0.05 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 29.92 1pit h ARG 53 CO -0.08 0.52 -0.08 1.15 -1.07 0.00 0.00 179.97 180.41 1pit h THR 54 N 0.80 1.41 0.00 2.04 2.02 -0.42 -3.41 112.91 115.35 1pit h THR 54 Ca 0.33 -1.33 0.00 0.00 0.77 0.00 0.00 66.41 66.17 1pit h THR 54 Cb 0.25 2.18 0.00 0.00 -1.74 0.00 0.00 68.15 68.84 1pit h THR 54 CO -0.11 0.36 -0.02 0.00 0.37 0.00 0.00 175.52 176.12 1pit n GLY 56 N -0.28 4.53 0.26 0.00 0.00 0.23 -4.64 105.19 105.29 1pit n GLY 56 Ca 0.01 -2.63 0.00 0.00 0.00 0.00 0.00 46.02 43.40 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 2.06 -0.26 3.60 -0.02 0.00 -1.26 -4.81 105.19 104.49 1pit n GLY 57 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1pit n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32