#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 1.70 0.07 -0.14 0.04 -1.26 -5.01 135.00 130.40 1pit s PRO 2 Ca 0.00 0.18 -0.13 0.00 0.04 0.00 0.00 61.00 61.09 1pit s PRO 2 Cb 0.00 -1.91 -0.25 0.00 0.04 0.00 0.00 34.50 32.38 1pit s PRO 2 CO 0.00 -1.79 1.16 0.22 0.04 0.00 0.00 177.00 176.62 1pit h ASP 3 N -1.20 0.83 -0.04 6.66 3.58 -2.02 -3.26 116.42 120.97 1pit h ASP 3 Ca -0.48 -0.73 0.01 0.00 0.42 0.00 0.00 57.03 56.26 1pit h ASP 3 Cb 1.33 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 42.12 1pit h ASP 3 CO 0.65 1.53 0.05 2.19 -2.88 0.00 0.00 179.24 180.78 1pit h PHE 4 N 0.30 0.00 0.00 0.28 -5.15 -1.98 0.80 116.94 111.19 1pit h PHE 4 Ca -0.16 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.61 1pit h PHE 4 Cb 1.82 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.99 1pit h PHE 4 CO 0.10 0.00 0.00 0.00 -2.00 0.00 0.00 178.31 176.41 1pit n LEU 6 N -0.69 1.69 -4.81 0.00 4.32 0.27 -4.56 117.00 113.23 1pit n LEU 6 Ca 0.05 -1.06 -0.33 0.00 -0.02 0.00 0.00 56.01 54.64 1pit n LEU 6 Cb 0.02 -0.01 -0.05 0.00 -1.62 0.00 0.00 43.42 41.76 1pit n LEU 6 CO 0.04 0.35 0.68 -1.83 -1.22 0.00 0.00 177.39 175.40 1pit s GLU 7 N -0.66 4.03 0.59 3.23 4.04 0.08 -4.69 118.70 125.32 1pit s GLU 7 Ca 0.09 1.23 -0.15 0.00 0.04 0.00 0.00 54.97 56.18 1pit s GLU 7 Cb 0.06 -2.14 -0.04 0.00 0.02 0.00 0.00 34.13 32.03 1pit s GLU 7 CO 0.10 -0.22 1.04 -1.25 -1.84 0.00 0.00 175.26 173.08 1pit s PRO 8 N -3.22 3.46 -0.91 -4.83 0.04 -1.26 -4.93 135.00 123.34 1pit s PRO 8 Ca 0.64 1.08 -0.24 0.00 0.04 0.00 0.00 61.00 62.52 1pit s PRO 8 Cb -0.12 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.33 1pit s PRO 8 CO 0.17 -0.68 1.83 -1.25 0.04 0.00 0.00 177.00 177.10 1pit s PRO 9 N -4.26 2.79 -0.54 0.56 0.04 -1.26 -4.94 135.00 127.39 1pit s PRO 9 Ca 0.61 -0.43 -0.26 0.00 0.04 0.00 0.00 61.00 60.96 1pit s PRO 9 Cb -0.14 -5.08 0.03 0.00 0.04 0.00 0.00 34.50 29.35 1pit s PRO 9 CO 0.39 -3.08 1.04 -0.47 0.04 0.00 0.00 177.00 174.92 1pit s TYR 10 N 8.87 2.75 0.14 0.56 5.04 -1.26 -4.90 117.35 128.55 1pit s TYR 10 Ca 0.64 0.27 -0.07 0.00 -2.44 0.00 0.00 57.07 55.48 1pit s TYR 10 Cb -0.06 -4.24 -0.05 0.00 0.35 0.00 0.00 41.96 37.96 1pit s TYR 10 CO -0.02 -1.38 1.36 1.15 -1.34 0.00 0.00 175.55 175.32 1pit h THR 11 N 6.10 1.33 -1.69 4.34 2.02 -1.92 -3.44 112.91 119.65 1pit h THR 11 Ca -0.25 -2.10 0.20 0.00 0.77 0.00 0.00 66.41 65.03 1pit h THR 11 Cb 1.07 2.09 -0.06 0.00 -1.74 0.00 0.00 68.15 69.51 1pit h THR 11 CO 1.11 0.65 -0.32 0.61 0.37 0.00 0.00 175.52 177.94 1pit n GLY 12 N 0.67 -1.78 2.49 2.16 0.00 -1.26 -3.71 105.19 103.75 1pit n GLY 12 Ca -0.06 -1.33 -0.37 0.00 0.00 0.00 0.00 46.02 44.27 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 -2.89 3.11 -4.64 1.61 -0.04 -1.26 -4.87 135.00 126.02 1pit n PRO 13 Ca -0.00 -2.12 -0.32 0.00 -0.04 0.00 0.00 63.50 61.02 1pit n PRO 13 Cb 0.34 -2.84 -0.12 0.00 -0.04 0.00 0.00 33.50 30.85 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 1.84 4.58 -3.86 0.00 5.02 -1.26 -4.86 118.16 119.61 1pit n LYS 15 Ca -0.16 -4.72 -0.09 0.00 -2.02 0.00 0.00 58.31 51.32 1pit n LYS 15 Cb 0.52 -2.39 -0.00 0.00 -0.02 0.00 0.00 35.03 33.14 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 -3.88 -0.77 -0.11 7.82 0.00 -1.26 -5.06 121.76 118.50 1pit s ALA 16 Ca 0.42 -0.66 -0.05 0.00 0.00 0.00 0.00 51.96 51.67 1pit s ALA 16 Cb 0.21 0.80 0.05 0.00 0.00 0.00 0.00 23.12 24.17 1pit s ALA 16 CO -0.11 -0.98 0.23 1.03 0.00 0.00 0.00 175.76 175.92 1pit s ARG 17 N -3.05 0.15 -0.11 0.00 3.00 -1.25 -4.60 118.95 113.09 1pit s ARG 17 Ca 0.15 0.59 -0.02 0.00 0.00 0.00 0.00 55.73 56.45 1pit s ARG 17 Cb -0.05 -0.12 0.04 0.00 0.00 0.00 0.00 34.95 34.82 1pit s ARG 17 CO 0.10 -0.22 0.02 0.42 0.00 0.00 0.00 175.30 175.62 1pit s ILE 18 N 1.76 0.39 -0.02 1.52 1.01 0.10 -4.95 121.20 121.02 1pit s ILE 18 Ca -0.04 -0.08 -0.30 0.00 0.00 0.00 0.00 60.65 60.23 1pit s ILE 18 Cb -0.11 -0.67 -0.07 0.00 0.01 0.00 0.00 42.46 41.61 1pit s ILE 18 CO -0.08 0.10 1.90 -0.63 0.00 0.00 0.00 174.94 176.23 1pit s ILE 19 N 1.95 3.18 0.33 2.92 -1.09 -1.26 -0.29 121.20 126.95 1pit s ILE 19 Ca 0.03 0.22 0.03 0.00 -2.23 0.00 0.00 60.65 58.70 1pit s ILE 19 Cb -0.14 -3.15 -0.05 0.00 -1.58 0.00 0.00 42.46 37.55 1pit s ILE 19 CO -0.06 -0.03 0.10 -0.13 -1.23 0.00 0.00 174.94 173.59 1pit s ARG 20 N 4.53 1.67 0.24 2.79 1.81 0.17 -4.90 118.95 125.26 1pit s ARG 20 Ca 0.85 -1.96 0.05 0.00 -1.72 0.00 0.00 55.73 52.95 1pit s ARG 20 Cb -0.39 -0.55 -0.05 0.00 -0.45 0.00 0.00 34.95 33.51 1pit s ARG 20 CO 0.38 -0.33 -0.03 0.71 -0.68 0.00 0.00 175.30 175.34 1pit s TYR 21 N -3.42 1.69 -0.00 -0.53 1.51 -0.07 -0.06 117.35 116.46 1pit s TYR 21 Ca 0.33 -0.82 -0.21 0.00 -1.01 0.00 0.00 57.07 55.35 1pit s TYR 21 Cb 0.06 -0.96 0.04 0.00 -0.11 0.00 0.00 41.96 40.99 1pit s TYR 21 CO 0.15 0.09 0.47 -0.59 -1.11 0.00 0.00 175.55 174.56 1pit s PHE 22 N -3.25 -0.37 -0.17 2.71 -0.71 0.03 -0.43 117.98 115.78 1pit s PHE 22 Ca 0.28 0.53 -0.29 0.00 -1.04 0.00 0.00 56.93 56.40 1pit s PHE 22 Cb 0.05 0.25 -0.02 0.00 -1.21 0.00 0.00 43.02 42.09 1pit s PHE 22 CO 0.09 -0.53 1.40 -0.47 -1.34 0.00 0.00 175.22 174.37 1pit s TYR 23 N -1.74 2.53 -0.60 3.49 6.14 -1.26 -0.81 117.35 125.09 1pit s TYR 23 Ca -0.10 0.75 -0.19 0.00 0.64 0.00 0.00 57.07 58.17 1pit s TYR 23 Cb -0.02 -3.73 0.10 0.00 0.42 0.00 0.00 41.96 38.73 1pit s TYR 23 CO 0.03 -2.33 0.73 1.21 0.64 0.00 0.00 175.55 175.83 1pit s ASN 24 N 2.74 6.19 0.57 4.32 2.47 -0.08 -4.58 114.94 126.57 1pit s ASN 24 Ca 0.61 -1.42 0.24 0.00 0.42 0.00 0.00 52.86 52.71 1pit s ASN 24 Cb -0.24 -2.31 1.31 0.00 -1.45 0.00 0.00 41.25 38.57 1pit s ASN 24 CO 0.21 -1.14 1.71 0.00 -3.72 0.00 0.00 177.10 174.17 1pit h ALA 25 N 9.20 1.33 0.00 1.71 0.00 -1.83 0.36 119.26 130.02 1pit h ALA 25 Ca -0.29 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.53 1pit h ALA 25 Cb 1.08 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1pit h ALA 25 CO 1.11 -0.33 -0.42 -0.22 0.00 0.00 0.00 179.25 179.39 1pit h LYS 26 N 0.00 0.00 0.00 0.00 1.63 -1.93 -3.29 116.57 112.98 1pit h LYS 26 Ca 0.00 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.69 1pit h LYS 26 Cb 0.70 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.31 1pit h LYS 26 CO 0.00 0.42 -1.96 0.00 -3.45 0.00 0.00 179.45 174.46 1pit n ALA 27 N -2.20 2.30 -2.89 5.00 0.00 0.01 -5.01 120.51 117.72 1pit n ALA 27 Ca 0.02 -0.68 -0.13 0.00 0.00 0.00 0.00 53.44 52.65 1pit n ALA 27 Cb 0.70 -0.45 0.03 0.00 0.00 0.00 0.00 19.45 19.73 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 1.62 0.02 3.40 0.00 0.00 0.11 -5.02 105.19 105.32 1pit n GLY 28 Ca -0.12 -0.20 -0.12 0.00 0.00 0.00 0.00 46.02 45.58 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 -4.35 -0.31 -0.20 0.99 1.98 -1.18 -5.00 118.68 110.60 1pit s LEU 29 Ca 0.25 -0.02 -0.21 0.00 -2.89 0.00 0.00 54.13 51.26 1pit s LEU 29 Cb -0.11 2.39 -0.03 0.00 0.66 0.00 0.00 46.19 49.10 1pit s LEU 29 CO 0.31 -0.91 0.62 0.00 -1.89 0.00 0.00 176.35 174.48 1pit s GLN 31 N 1.92 0.76 0.49 0.00 -0.21 0.01 -4.81 119.66 117.81 1pit s GLN 31 Ca 0.28 -1.32 -0.02 0.00 0.02 0.00 0.00 55.36 54.32 1pit s GLN 31 Cb -0.16 0.20 -0.01 0.00 1.00 0.00 0.00 33.01 34.04 1pit s GLN 31 CO 0.10 -0.17 0.75 0.95 -2.12 0.00 0.00 175.29 174.80 1pit s THR 32 N -3.96 4.12 0.13 -0.19 -4.23 -1.26 -0.79 115.64 109.47 1pit s THR 32 Ca 0.15 -0.23 -0.24 0.00 -1.18 0.00 0.00 61.69 60.18 1pit s THR 32 Cb 0.08 -3.56 0.07 0.00 1.34 0.00 0.00 72.50 70.43 1pit s THR 32 CO -0.05 -0.47 0.62 0.72 -0.54 0.00 0.00 174.62 174.90 1pit s PHE 33 N -2.70 -0.54 -0.09 3.99 -0.71 0.91 -4.87 117.98 113.96 1pit s PHE 33 Ca 0.49 0.40 -0.30 0.00 -1.04 0.00 0.00 56.93 56.48 1pit s PHE 33 Cb -0.10 0.55 -0.02 0.00 -1.21 0.00 0.00 43.02 42.23 1pit s PHE 33 CO 0.41 -0.82 1.19 0.08 -1.34 0.00 0.00 175.22 174.75 1pit s VAL 34 N -3.49 4.32 0.21 -2.49 1.01 -1.26 -0.66 120.40 118.04 1pit s VAL 34 Ca 0.00 1.63 0.06 0.00 0.00 0.00 0.00 61.98 63.67 1pit s VAL 34 Cb -0.01 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 1pit s VAL 34 CO -0.11 -0.04 0.18 -0.47 0.00 0.00 0.00 175.10 174.66 1pit s TYR 35 N 2.54 3.16 0.00 5.22 5.04 0.60 -4.77 117.35 129.14 1pit s TYR 35 Ca 0.54 -0.06 0.00 0.00 -2.44 0.00 0.00 57.07 55.12 1pit s TYR 35 Cb -0.23 -1.47 0.00 0.00 0.35 0.00 0.00 41.96 40.61 1pit s TYR 35 CO 0.19 0.52 0.00 0.41 -1.34 0.00 0.00 175.55 175.33 1pit n GLY 36 N -0.80 0.30 0.00 8.97 0.00 -1.24 0.01 105.19 112.43 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 2.21 0.00 0.00 -0.02 0.00 -1.26 -3.85 105.19 102.27 1pit n GLY 37 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.33 -3.63 -0.57 0.00 3.00 -1.26 -4.80 116.66 109.08 1pit n ARG 39 Ca 0.00 0.43 -0.30 0.00 -0.01 0.00 0.00 57.85 57.97 1pit n ARG 39 Cb 0.00 -4.84 0.22 0.00 0.00 0.00 0.00 32.46 27.84 1pit n ARG 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1pit n ALA 40 N -4.42 -2.24 -2.74 7.54 0.00 -1.26 -4.88 120.51 112.52 1pit n ALA 40 Ca -0.17 -0.95 -0.33 0.00 0.00 0.00 0.00 53.44 52.00 1pit n ALA 40 Cb 0.61 -2.03 -0.06 0.00 0.00 0.00 0.00 19.45 17.97 1pit n ALA 40 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1pit s LYS 41 N -4.40 2.24 0.10 0.00 3.01 -1.26 -5.07 119.74 114.35 1pit s LYS 41 Ca 0.67 -2.41 0.02 0.00 -1.01 0.00 0.00 55.97 53.24 1pit s LYS 41 Cb -0.24 -1.59 -0.24 0.00 -1.01 0.00 0.00 37.83 34.75 1pit s LYS 41 CO 0.63 -0.45 1.20 0.00 0.51 0.00 0.00 175.35 177.24 1pit h ARG 42 N 1.19 0.12 -2.40 1.68 3.08 -1.98 -3.33 114.38 112.74 1pit h ARG 42 Ca -0.43 -0.21 -0.37 0.00 0.07 0.00 0.00 59.98 59.04 1pit h ARG 42 Cb 1.33 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 31.42 1pit h ARG 42 CO 0.71 1.09 1.27 -1.71 -1.07 0.00 0.00 179.97 180.26 1pit n ASN 43 N -3.42 6.57 -3.49 7.04 5.15 -1.26 -4.74 115.26 121.11 1pit n ASN 43 Ca -0.04 -2.51 -0.29 0.00 -0.60 0.00 0.00 54.58 51.14 1pit n ASN 43 Cb 0.98 -1.46 -0.12 0.00 -0.53 0.00 0.00 39.78 38.65 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 2.08 2.91 0.50 1.20 3.84 -1.25 -4.18 114.94 120.04 1pit s ASN 44 Ca 0.68 -2.35 0.06 0.00 0.21 0.00 0.00 52.86 51.46 1pit s ASN 44 Cb 0.26 -0.49 0.01 0.00 -0.55 0.00 0.00 41.25 40.48 1pit s ASN 44 CO -0.02 -0.29 0.36 -0.36 -2.79 0.00 0.00 177.10 174.00 1pit s PHE 45 N 0.86 1.98 -0.02 0.43 0.08 0.43 -4.88 117.98 116.86 1pit s PHE 45 Ca 0.20 -0.74 0.05 0.00 0.12 0.00 0.00 56.93 56.55 1pit s PHE 45 Cb -0.20 -1.97 -0.07 0.00 -0.57 0.00 0.00 43.02 40.21 1pit s PHE 45 CO -0.01 -0.30 0.11 1.17 -0.10 0.00 0.00 175.22 176.08 1pit n LYS 46 N -1.64 0.50 -4.23 0.44 4.81 -1.26 -0.90 118.16 115.88 1pit n LYS 46 Ca -0.01 -0.04 -0.13 0.00 -0.87 0.00 0.00 58.31 57.26 1pit n LYS 46 Cb 0.64 -1.08 -0.10 0.00 0.02 0.00 0.00 35.03 34.51 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 -2.45 1.43 0.18 3.14 1.04 -1.26 -4.86 113.70 110.91 1pit s SER 47 Ca -0.01 -1.07 -0.10 0.00 0.48 0.00 0.00 55.95 55.25 1pit s SER 47 Cb 0.03 0.06 0.07 0.00 0.10 0.00 0.00 66.02 66.28 1pit s SER 47 CO 0.19 -0.45 1.66 0.00 0.98 0.00 0.00 173.24 175.62 1pit h ALA 48 N 2.80 0.83 -0.42 5.32 0.00 -1.96 -1.71 119.26 124.12 1pit h ALA 48 Ca -0.36 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.13 1pit h ALA 48 Cb 1.19 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1pit h ALA 48 CO 0.64 0.61 -0.29 1.05 0.00 0.00 0.00 179.25 181.26 1pit h GLU 49 N 0.95 0.92 0.15 0.00 -0.00 -1.96 0.74 114.58 115.37 1pit h GLU 49 Ca 0.18 -0.42 0.02 0.00 -0.00 0.00 0.00 59.36 59.14 1pit h GLU 49 Cb 0.47 -0.01 -0.04 0.00 -0.00 0.00 0.00 28.75 29.16 1pit h GLU 49 CO 0.02 1.08 -0.36 0.22 -0.00 0.00 0.00 179.01 179.96 1pit h ASP 50 N 0.78 -1.05 -0.35 3.06 3.58 -1.95 0.16 116.42 120.63 1pit h ASP 50 Ca 0.09 0.12 0.08 0.00 0.42 0.00 0.00 57.03 57.73 1pit h ASP 50 Cb 0.86 0.39 -0.09 0.00 1.72 0.00 0.00 39.33 42.21 1pit h ASP 50 CO 0.08 -0.45 -0.29 0.00 -2.88 0.00 0.00 179.24 175.69 1pit h MET 52 N -0.24 0.59 -0.40 0.00 2.86 -0.56 0.70 114.93 117.88 1pit h MET 52 Ca 0.17 -0.04 0.06 0.00 -2.06 0.00 0.00 59.70 57.83 1pit h MET 52 Cb 0.51 -0.13 -0.05 0.00 0.06 0.00 0.00 31.60 31.99 1pit h MET 52 CO -0.49 0.39 0.11 0.00 1.06 0.00 0.00 176.91 177.98 1pit h ARG 53 N 0.61 0.25 0.12 1.72 3.08 0.16 0.50 114.38 120.83 1pit h ARG 53 Ca 0.22 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.25 1pit h ARG 53 Cb 0.05 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1pit h ARG 53 CO -0.11 0.16 -0.06 1.15 -1.07 0.00 0.00 179.97 180.04 1pit h THR 54 N 0.25 1.02 0.00 2.04 2.02 -0.75 -3.39 112.91 114.11 1pit h THR 54 Ca 0.19 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.75 1pit h THR 54 Cb 0.20 1.41 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 1pit h THR 54 CO -0.22 0.15 -0.05 0.00 0.37 0.00 0.00 175.52 175.77 1pit n GLY 56 N 1.83 2.28 0.00 0.00 0.00 0.17 -4.38 105.19 105.09 1pit n GLY 56 Ca -0.01 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 0.04 0.00 -0.02 0.00 -1.26 -4.94 105.19 99.01 1pit n GLY 57 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1pit n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32