#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 4.39 0.45 2.89 0.04 -1.26 -4.97 135.00 136.54 1pit s PRO 2 Ca 0.00 1.01 0.25 0.00 0.04 0.00 0.00 61.00 62.29 1pit s PRO 2 Cb 0.00 -3.01 1.26 0.00 0.04 0.00 0.00 34.50 32.79 1pit s PRO 2 CO 0.00 0.45 1.79 -0.44 0.04 0.00 0.00 177.00 178.84 1pit h ASP 3 N 3.72 0.28 0.36 6.66 5.19 -2.02 -1.04 116.42 129.58 1pit h ASP 3 Ca -0.48 0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 55.98 1pit h ASP 3 Cb 1.20 0.01 -0.00 0.00 0.18 0.00 0.00 39.33 40.71 1pit h ASP 3 CO 0.65 0.05 -0.03 2.19 -3.12 0.00 0.00 179.24 178.99 1pit h PHE 4 N 0.25 0.00 -0.26 4.55 -5.15 -1.99 0.55 116.94 114.89 1pit h PHE 4 Ca 0.57 0.00 0.08 0.00 -0.20 0.00 0.00 57.97 58.41 1pit h PHE 4 Cb 1.73 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.89 1pit h PHE 4 CO -0.00 0.03 0.28 0.00 -2.00 0.00 0.00 178.31 176.62 1pit n LEU 6 N -3.80 1.52 -4.79 0.00 4.32 0.18 -4.25 117.00 110.18 1pit n LEU 6 Ca 0.03 -0.53 -0.36 0.00 -0.02 0.00 0.00 56.01 55.13 1pit n LEU 6 Cb 0.42 -0.02 -0.03 0.00 -1.62 0.00 0.00 43.42 42.17 1pit n LEU 6 CO 0.28 0.27 0.74 -1.83 -1.22 0.00 0.00 177.39 175.62 1pit s GLU 7 N -1.96 3.98 0.75 3.23 -1.05 -0.32 -4.82 118.70 118.51 1pit s GLU 7 Ca 0.37 1.50 -0.11 0.00 -0.15 0.00 0.00 54.97 56.58 1pit s GLU 7 Cb 0.20 -2.37 0.04 0.00 -0.44 0.00 0.00 34.13 31.57 1pit s GLU 7 CO 0.32 -0.30 1.08 -1.25 0.95 0.00 0.00 175.26 176.06 1pit s PRO 8 N -2.78 2.48 -0.30 -4.83 0.04 -1.26 -4.92 135.00 123.43 1pit s PRO 8 Ca 0.62 1.03 -0.29 0.00 0.04 0.00 0.00 61.00 62.40 1pit s PRO 8 Cb -0.21 -1.93 -0.00 0.00 0.04 0.00 0.00 34.50 32.40 1pit s PRO 8 CO 0.26 -1.44 1.33 -1.25 0.04 0.00 0.00 177.00 175.93 1pit s PRO 9 N -4.98 3.89 -0.62 0.56 0.04 -1.26 -4.95 135.00 127.68 1pit s PRO 9 Ca 0.60 1.26 -0.13 0.00 0.04 0.00 0.00 61.00 62.76 1pit s PRO 9 Cb -0.16 -3.90 0.16 0.00 0.04 0.00 0.00 34.50 30.65 1pit s PRO 9 CO 0.56 -1.15 0.55 -0.47 0.04 0.00 0.00 177.00 176.52 1pit s TYR 10 N 4.47 3.45 0.36 0.56 5.04 -1.26 -4.93 117.35 125.03 1pit s TYR 10 Ca 0.57 -1.69 0.04 0.00 -2.44 0.00 0.00 57.07 53.56 1pit s TYR 10 Cb -0.17 -3.72 0.66 0.00 0.35 0.00 0.00 41.96 39.09 1pit s TYR 10 CO 0.24 -1.00 1.96 1.15 -1.34 0.00 0.00 175.55 176.56 1pit h THR 11 N 5.56 1.16 0.00 4.34 2.02 -1.94 -3.44 112.91 120.62 1pit h THR 11 Ca -0.15 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 66.54 1pit h THR 11 Cb 1.07 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 1pit h THR 11 CO 0.90 0.20 0.00 0.61 0.37 0.00 0.00 175.52 177.60 1pit n GLY 12 N -1.18 -2.21 2.69 2.16 0.00 -1.26 -1.03 105.19 104.36 1pit n GLY 12 Ca 0.03 -1.46 -0.39 0.00 0.00 0.00 0.00 46.02 44.21 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 -1.54 2.65 -4.14 1.61 -0.04 -1.26 -4.71 135.00 127.57 1pit n PRO 13 Ca 0.00 -2.18 -0.15 0.00 -0.04 0.00 0.00 63.50 61.13 1pit n PRO 13 Cb 0.00 -2.97 -0.13 0.00 -0.04 0.00 0.00 33.50 30.35 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 3.93 -3.95 0.00 4.01 -1.26 -4.69 118.16 118.64 1pit n LYS 15 Ca -0.16 -4.29 -0.09 0.00 -0.51 0.00 0.00 58.31 53.26 1pit n LYS 15 Cb 0.57 -2.65 -0.03 0.00 -0.51 0.00 0.00 35.03 32.41 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 -1.32 -0.45 -0.40 7.82 0.00 -1.26 -5.05 121.76 121.10 1pit s ALA 16 Ca 0.34 -0.78 0.10 0.00 0.00 0.00 0.00 51.96 51.62 1pit s ALA 16 Cb -0.00 0.98 0.33 0.00 0.00 0.00 0.00 23.12 24.43 1pit s ALA 16 CO 0.02 -0.91 0.82 0.54 0.00 0.00 0.00 175.76 176.23 1pit n ARG 17 N -0.44 0.96 -2.31 0.00 1.74 -1.24 -4.20 116.66 111.17 1pit n ARG 17 Ca -0.03 -2.97 -0.43 0.00 -0.77 0.00 0.00 57.85 53.65 1pit n ARG 17 Cb 0.61 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.52 1pit n ARG 17 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1pit s ILE 18 N -1.61 3.94 0.11 0.55 1.01 0.16 -4.75 121.20 120.62 1pit s ILE 18 Ca 0.35 1.04 -0.31 0.00 0.00 0.00 0.00 60.65 61.73 1pit s ILE 18 Cb 0.32 -4.04 -0.10 0.00 0.01 0.00 0.00 42.46 38.65 1pit s ILE 18 CO -0.08 -0.50 1.84 -0.63 0.00 0.00 0.00 174.94 175.57 1pit s ILE 19 N 4.96 2.58 0.30 2.92 -1.09 -1.26 -0.26 121.20 129.34 1pit s ILE 19 Ca 0.62 0.05 0.07 0.00 -2.23 0.00 0.00 60.65 59.16 1pit s ILE 19 Cb -0.18 -3.03 -0.03 0.00 -1.58 0.00 0.00 42.46 37.64 1pit s ILE 19 CO 0.27 -0.00 0.25 0.54 -1.23 0.00 0.00 174.94 174.77 1pit n ARG 20 N 5.85 0.37 -4.19 2.79 5.12 0.40 -4.90 116.66 122.10 1pit n ARG 20 Ca 0.18 -2.96 -0.12 0.00 -1.93 0.00 0.00 57.85 53.02 1pit n ARG 20 Cb 0.38 2.39 -0.10 0.00 -1.16 0.00 0.00 32.46 33.98 1pit n ARG 20 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1pit s TYR 21 N -3.19 1.00 -0.07 -1.55 1.51 -1.23 -0.07 117.35 113.76 1pit s TYR 21 Ca 0.35 -0.97 -0.29 0.00 -1.01 0.00 0.00 57.07 55.15 1pit s TYR 21 Cb 0.02 -0.57 0.10 0.00 -0.11 0.00 0.00 41.96 41.39 1pit s TYR 21 CO 0.25 -0.19 0.85 -0.59 -1.11 0.00 0.00 175.55 174.76 1pit s PHE 22 N -3.65 -0.46 0.13 2.71 -0.71 -0.21 -0.82 117.98 114.96 1pit s PHE 22 Ca 0.17 0.64 -0.31 0.00 -1.04 0.00 0.00 56.93 56.38 1pit s PHE 22 Cb 0.06 0.47 -0.09 0.00 -1.21 0.00 0.00 43.02 42.25 1pit s PHE 22 CO -0.01 -0.51 1.48 -0.47 -1.34 0.00 0.00 175.22 174.37 1pit s TYR 23 N -1.83 3.11 -0.55 3.49 6.14 -1.26 -0.84 117.35 125.60 1pit s TYR 23 Ca -0.02 0.78 0.00 0.00 0.64 0.00 0.00 57.07 58.47 1pit s TYR 23 Cb -0.01 -3.80 0.14 0.00 0.42 0.00 0.00 41.96 38.72 1pit s TYR 23 CO 0.00 -2.89 0.33 1.21 0.64 0.00 0.00 175.55 174.84 1pit s ASN 24 N 1.23 4.85 0.14 4.32 2.47 -1.18 -4.79 114.94 121.98 1pit s ASN 24 Ca 0.67 -2.82 0.09 0.00 0.42 0.00 0.00 52.86 51.22 1pit s ASN 24 Cb -0.40 -1.76 0.50 0.00 -1.45 0.00 0.00 41.25 38.14 1pit s ASN 24 CO 0.31 -0.33 1.26 0.00 -3.72 0.00 0.00 177.10 174.62 1pit n ALA 25 N 3.46 0.98 0.49 1.71 0.00 -1.26 0.04 120.51 125.92 1pit n ALA 25 Ca 0.06 0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.71 1pit n ALA 25 Cb 0.36 -1.09 0.37 0.00 0.00 0.00 0.00 19.45 19.09 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 -1.93 -3.38 116.57 112.88 1pit h LYS 26 Ca 0.00 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1pit h LYS 26 Cb 0.05 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.68 1pit h LYS 26 CO 0.00 0.00 -1.01 0.00 -3.45 0.00 0.00 179.45 174.99 1pit n ALA 27 N -1.88 2.86 0.00 5.00 0.00 0.21 -5.17 120.51 121.53 1pit n ALA 27 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1pit n ALA 27 Cb 0.43 0.50 0.00 0.00 0.00 0.00 0.00 19.45 20.37 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 3.05 1.04 4.51 0.00 0.00 0.11 -5.09 105.19 108.81 1pit n GLY 28 Ca -0.00 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.84 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 -4.10 0.99 -0.00 -1.26 -3.86 117.00 108.77 1pit n LEU 29 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 56.01 55.76 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 -0.49 0.00 -0.00 0.00 0.00 177.39 176.90 1pit s GLN 31 N 0.11 1.52 0.68 0.00 -0.21 -0.02 -4.92 119.66 116.81 1pit s GLN 31 Ca -0.04 -1.82 -0.11 0.00 0.02 0.00 0.00 55.36 53.41 1pit s GLN 31 Cb -0.11 -0.63 0.00 0.00 1.00 0.00 0.00 33.01 33.27 1pit s GLN 31 CO 0.02 -0.20 1.07 0.95 -2.12 0.00 0.00 175.29 175.00 1pit s THR 32 N -3.47 3.78 0.27 -0.19 -4.23 -1.26 -1.05 115.64 109.50 1pit s THR 32 Ca 0.36 0.53 -0.20 0.00 -1.18 0.00 0.00 61.69 61.19 1pit s THR 32 Cb 0.08 -3.57 0.02 0.00 1.34 0.00 0.00 72.50 70.37 1pit s THR 32 CO 0.14 -0.74 0.70 0.72 -0.54 0.00 0.00 174.62 174.90 1pit s PHE 33 N -3.29 -0.17 -0.15 3.99 -0.71 0.90 -4.82 117.98 113.74 1pit s PHE 33 Ca 0.57 -0.28 -0.17 0.00 -1.04 0.00 0.00 56.93 56.01 1pit s PHE 33 Cb -0.11 0.67 -0.04 0.00 -1.21 0.00 0.00 43.02 42.33 1pit s PHE 33 CO 0.52 -1.21 0.46 0.08 -1.34 0.00 0.00 175.22 173.73 1pit s VAL 34 N -3.92 5.19 0.11 -2.49 1.01 -1.26 -0.45 120.40 118.59 1pit s VAL 34 Ca 0.11 0.88 0.07 0.00 0.00 0.00 0.00 61.98 63.04 1pit s VAL 34 Cb -0.05 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1pit s VAL 34 CO 0.06 0.30 -0.07 -0.47 0.00 0.00 0.00 175.10 174.92 1pit s TYR 35 N 0.85 2.79 0.00 5.22 5.04 0.64 -4.69 117.35 127.19 1pit s TYR 35 Ca 0.24 -0.13 0.00 0.00 -2.44 0.00 0.00 57.07 54.74 1pit s TYR 35 Cb -0.15 -1.44 0.00 0.00 0.35 0.00 0.00 41.96 40.72 1pit s TYR 35 CO 0.09 0.45 0.00 0.41 -1.34 0.00 0.00 175.55 175.16 1pit n GLY 36 N 0.55 -0.56 0.00 8.97 0.00 -0.20 0.36 105.19 114.32 1pit n GLY 36 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 1.40 0.00 3.62 -0.02 0.00 -1.25 -3.82 105.19 105.12 1pit n GLY 37 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 0.65 -3.36 -1.66 0.00 3.00 -1.26 -4.68 116.66 109.34 1pit n ARG 39 Ca -0.04 0.43 -0.49 0.00 -0.01 0.00 0.00 57.85 57.74 1pit n ARG 39 Cb 0.58 -4.58 -0.05 0.00 0.00 0.00 0.00 32.46 28.42 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 -4.37 0.56 -1.88 7.54 0.00 -1.26 -4.90 120.51 116.20 1pit n ALA 40 Ca -0.30 0.42 -0.15 0.00 0.00 0.00 0.00 53.44 53.41 1pit n ALA 40 Cb 0.68 -2.31 0.12 0.00 0.00 0.00 0.00 19.45 17.94 1pit n ALA 40 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1pit n LYS 41 N 4.11 -0.57 -0.19 0.00 4.76 -1.26 -5.00 118.16 120.01 1pit n LYS 41 Ca 0.19 -1.52 -0.10 0.00 -2.87 0.00 0.00 58.31 54.02 1pit n LYS 41 Cb 0.25 -0.78 0.02 0.00 -1.84 0.00 0.00 35.03 32.68 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 1.05 -4.86 1.97 3.08 -1.98 -3.33 114.38 110.31 1pit h ARG 42 Ca -0.27 -0.38 -0.61 0.00 0.07 0.00 0.00 59.98 58.80 1pit h ARG 42 Cb 0.80 -0.07 0.12 0.00 0.08 0.00 0.00 29.97 30.91 1pit h ARG 42 CO 0.21 1.07 1.61 -1.71 -1.07 0.00 0.00 179.97 180.09 1pit n ASN 43 N -4.15 1.39 -2.79 7.04 2.85 -1.26 -4.63 115.26 113.71 1pit n ASN 43 Ca 0.02 -2.55 -0.02 0.00 -0.11 0.00 0.00 54.58 51.92 1pit n ASN 43 Cb 0.39 -0.66 0.01 0.00 1.24 0.00 0.00 39.78 40.77 1pit n ASN 43 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 1pit s ASN 44 N 6.48 -0.95 0.38 1.20 2.47 -1.25 -4.63 114.94 118.63 1pit s ASN 44 Ca 0.66 -0.98 0.02 0.00 0.42 0.00 0.00 52.86 52.98 1pit s ASN 44 Cb 0.15 1.24 0.05 0.00 -1.45 0.00 0.00 41.25 41.24 1pit s ASN 44 CO 0.29 -0.05 0.37 0.49 -3.72 0.00 0.00 177.10 174.48 1pit n PHE 45 N 3.10 -2.94 -0.01 0.43 3.01 0.00 -4.88 117.46 116.18 1pit n PHE 45 Ca 0.14 -0.81 0.04 0.00 1.01 0.00 0.00 57.45 57.83 1pit n PHE 45 Cb 0.60 -0.26 -0.08 0.00 -0.01 0.00 0.00 39.48 39.72 1pit n PHE 45 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1pit n LYS 46 N -1.64 0.50 -3.88 -1.08 5.02 -1.26 -3.49 118.16 112.33 1pit n LYS 46 Ca 0.07 -0.09 -0.09 0.00 -2.02 0.00 0.00 58.31 56.18 1pit n LYS 46 Cb 0.25 -1.25 -0.01 0.00 -0.02 0.00 0.00 35.03 34.00 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 -3.31 0.03 0.17 4.39 1.04 -1.26 -4.89 113.70 109.87 1pit s SER 47 Ca -0.04 -1.00 -0.01 0.00 0.48 0.00 0.00 55.95 55.38 1pit s SER 47 Cb 0.06 0.76 0.03 0.00 0.10 0.00 0.00 66.02 66.97 1pit s SER 47 CO 0.44 -1.47 1.41 0.00 0.98 0.00 0.00 173.24 174.60 1pit h ALA 48 N 2.05 0.55 -0.33 5.32 0.00 -1.95 -3.25 119.26 121.65 1pit h ALA 48 Ca -0.27 -0.64 0.05 0.00 0.00 0.00 0.00 54.91 54.04 1pit h ALA 48 Cb 1.25 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 1pit h ALA 48 CO 0.34 0.79 0.08 1.05 0.00 0.00 0.00 179.25 181.52 1pit h GLU 49 N 0.23 0.20 0.47 0.00 4.11 -1.98 0.20 114.58 117.82 1pit h GLU 49 Ca -0.04 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.37 1pit h GLU 49 Cb 1.38 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.56 1pit h GLU 49 CO 0.13 0.13 -0.40 -0.44 0.07 0.00 0.00 179.01 178.50 1pit h ASP 50 N 0.21 -1.07 -0.39 3.06 3.32 -1.99 0.32 116.42 119.87 1pit h ASP 50 Ca 0.16 0.08 0.08 0.00 0.02 0.00 0.00 57.03 57.37 1pit h ASP 50 Cb 0.16 0.35 -0.08 0.00 0.22 0.00 0.00 39.33 39.98 1pit h ASP 50 CO -0.19 -0.57 -0.11 0.00 -1.72 0.00 0.00 179.24 176.65 1pit h MET 52 N -0.01 0.20 -1.00 0.00 2.86 -0.57 -2.64 114.93 113.77 1pit h MET 52 Ca 0.19 -0.04 0.09 0.00 -2.06 0.00 0.00 59.70 57.87 1pit h MET 52 Cb 0.30 -0.03 -0.07 0.00 0.06 0.00 0.00 31.60 31.86 1pit h MET 52 CO -0.41 0.34 0.64 -0.09 1.06 0.00 0.00 176.91 178.44 1pit h ARG 53 N 0.01 1.07 -0.93 1.72 2.43 -0.15 0.29 114.38 118.82 1pit h ARG 53 Ca 0.04 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.17 1pit h ARG 53 Cb 0.23 -0.24 -0.05 0.00 -0.42 0.00 0.00 29.97 29.48 1pit h ARG 53 CO -0.00 0.71 0.61 1.15 -1.51 0.00 0.00 179.97 180.93 1pit h THR 54 N 1.10 1.20 0.00 0.20 2.02 -0.57 -3.35 112.91 113.51 1pit h THR 54 Ca 0.46 -0.42 -0.31 0.00 0.77 0.00 0.00 66.41 66.91 1pit h THR 54 Cb 0.29 -0.13 -0.05 0.00 -1.74 0.00 0.00 68.15 66.53 1pit h THR 54 CO -0.21 0.22 -1.92 0.00 0.37 0.00 0.00 175.52 173.98 1pit n GLY 56 N 1.34 -0.48 0.00 0.00 0.00 0.93 -4.55 105.19 102.43 1pit n GLY 56 Ca -0.40 0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.38 0.70 3.47 -0.02 0.00 -1.26 -4.92 105.19 101.79 1pit n GLY 57 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1pit n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32