#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 3.28 -0.02 2.89 0.04 -1.26 -5.01 135.00 134.91 1pit s PRO 2 Ca 0.00 0.52 0.05 0.00 0.04 0.00 0.00 61.00 61.61 1pit s PRO 2 Cb 0.00 -2.11 -0.24 0.00 0.04 0.00 0.00 34.50 32.18 1pit s PRO 2 CO 0.00 -0.69 0.74 0.22 0.04 0.00 0.00 177.00 177.30 1pit h ASP 3 N -0.35 0.16 -0.23 6.66 3.58 -2.06 -3.32 116.42 120.86 1pit h ASP 3 Ca -0.45 -0.28 0.07 0.00 0.42 0.00 0.00 57.03 56.79 1pit h ASP 3 Cb 1.22 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 42.21 1pit h ASP 3 CO 0.62 1.24 0.21 2.19 -2.88 0.00 0.00 179.24 180.62 1pit h PHE 4 N 0.03 0.00 -0.45 0.28 -5.15 -2.00 -0.63 116.94 109.00 1pit h PHE 4 Ca -0.26 0.00 0.13 0.00 -0.20 0.00 0.00 57.97 57.64 1pit h PHE 4 Cb 1.99 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 38.14 1pit h PHE 4 CO 0.03 0.00 0.40 0.00 -2.00 0.00 0.00 178.31 176.74 1pit n LEU 6 N -3.99 3.77 -4.86 0.00 4.32 -0.24 -4.05 117.00 111.94 1pit n LEU 6 Ca 0.08 -1.94 -0.31 0.00 -0.02 0.00 0.00 56.01 53.82 1pit n LEU 6 Cb 0.60 -0.61 -0.05 0.00 -1.62 0.00 0.00 43.42 41.74 1pit n LEU 6 CO 0.31 0.56 0.38 -1.61 -1.22 0.00 0.00 177.39 175.81 1pit s GLU 7 N -1.65 3.88 0.60 3.23 0.41 0.60 -4.89 118.70 120.88 1pit s GLU 7 Ca 0.25 0.50 -0.15 0.00 -0.41 0.00 0.00 54.97 55.15 1pit s GLU 7 Cb 0.20 -2.47 -0.03 0.00 -1.78 0.00 0.00 34.13 30.05 1pit s GLU 7 CO 0.06 0.13 1.06 -1.25 -0.49 0.00 0.00 175.26 174.76 1pit s PRO 8 N -3.26 3.29 -0.94 0.39 0.04 -1.26 -4.88 135.00 128.38 1pit s PRO 8 Ca 0.51 1.17 -0.24 0.00 0.04 0.00 0.00 61.00 62.49 1pit s PRO 8 Cb -0.10 -2.03 -0.00 0.00 0.04 0.00 0.00 34.50 32.40 1pit s PRO 8 CO 0.23 -0.83 1.71 -1.25 0.04 0.00 0.00 177.00 176.90 1pit s PRO 9 N -4.18 3.03 -0.40 0.56 0.04 -1.26 -4.95 135.00 127.83 1pit s PRO 9 Ca 0.63 -0.63 -0.26 0.00 0.04 0.00 0.00 61.00 60.78 1pit s PRO 9 Cb -0.16 -5.16 0.02 0.00 0.04 0.00 0.00 34.50 29.25 1pit s PRO 9 CO 0.39 -2.82 0.94 -0.47 0.04 0.00 0.00 177.00 175.08 1pit s TYR 10 N 7.72 3.02 0.23 0.56 5.04 -1.26 -4.92 117.35 127.74 1pit s TYR 10 Ca 0.59 0.66 -0.00 0.00 -2.44 0.00 0.00 57.07 55.88 1pit s TYR 10 Cb -0.04 -3.79 0.24 0.00 0.35 0.00 0.00 41.96 38.72 1pit s TYR 10 CO -0.04 -0.93 1.60 1.15 -1.34 0.00 0.00 175.55 175.98 1pit h THR 11 N 5.92 1.31 0.00 4.34 2.02 -1.93 -3.43 112.91 121.14 1pit h THR 11 Ca -0.23 -1.61 0.00 0.00 0.77 0.00 0.00 66.41 65.34 1pit h THR 11 Cb 1.08 1.62 0.00 0.00 -1.74 0.00 0.00 68.15 69.11 1pit h THR 11 CO 1.00 0.50 0.00 0.61 0.37 0.00 0.00 175.52 178.00 1pit n GLY 12 N 0.00 -0.07 2.41 2.16 0.00 -1.26 -0.90 105.19 107.54 1pit n GLY 12 Ca -0.02 -1.68 -0.31 0.00 0.00 0.00 0.00 46.02 44.02 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 0.12 2.97 -4.48 1.61 -0.04 -1.26 -4.76 135.00 129.17 1pit n PRO 13 Ca 0.00 -1.84 -0.23 0.00 -0.04 0.00 0.00 63.50 61.39 1pit n PRO 13 Cb 0.00 -2.61 -0.10 0.00 -0.04 0.00 0.00 33.50 30.74 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 -0.69 1.21 -0.60 0.00 4.81 -1.26 -4.91 118.16 116.72 1pit n LYS 15 Ca -0.05 -0.06 -0.29 0.00 -0.87 0.00 0.00 58.31 57.04 1pit n LYS 15 Cb 0.64 -1.35 0.22 0.00 0.02 0.00 0.00 35.03 34.56 1pit n LYS 15 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1pit s ALA 16 N -2.62 0.36 -0.05 3.14 0.00 -1.26 -5.05 121.76 116.28 1pit s ALA 16 Ca -0.06 0.20 -0.02 0.00 0.00 0.00 0.00 51.96 52.08 1pit s ALA 16 Cb 0.06 -3.34 0.04 0.00 0.00 0.00 0.00 23.12 19.88 1pit s ALA 16 CO 0.58 -3.39 0.11 1.03 0.00 0.00 0.00 175.76 174.09 1pit s ARG 17 N -4.54 0.04 -0.13 0.00 0.52 -1.09 -4.21 118.95 109.54 1pit s ARG 17 Ca 0.68 0.32 -0.04 0.00 -0.52 0.00 0.00 55.73 56.17 1pit s ARG 17 Cb -0.24 -0.21 0.07 0.00 0.52 0.00 0.00 34.95 35.08 1pit s ARG 17 CO 0.62 -0.17 0.21 0.42 0.02 0.00 0.00 175.30 176.39 1pit s ILE 18 N 1.19 -0.33 -0.06 1.52 1.01 0.16 -4.94 121.20 119.76 1pit s ILE 18 Ca -0.09 0.19 -0.30 0.00 0.00 0.00 0.00 60.65 60.46 1pit s ILE 18 Cb -0.12 -0.46 -0.05 0.00 0.01 0.00 0.00 42.46 41.84 1pit s ILE 18 CO -0.05 0.03 1.59 -0.63 0.00 0.00 0.00 174.94 175.88 1pit s ILE 19 N 2.34 3.65 0.41 2.92 -1.09 -1.26 -0.15 121.20 128.03 1pit s ILE 19 Ca 0.04 0.83 0.04 0.00 -2.23 0.00 0.00 60.65 59.32 1pit s ILE 19 Cb -0.13 -3.53 -0.02 0.00 -1.58 0.00 0.00 42.46 37.19 1pit s ILE 19 CO -0.09 -0.07 0.14 -0.13 -1.23 0.00 0.00 174.94 173.57 1pit s ARG 20 N 3.80 1.94 0.23 2.79 1.81 0.56 -4.91 118.95 125.18 1pit s ARG 20 Ca 0.70 -2.19 0.01 0.00 -1.72 0.00 0.00 55.73 52.53 1pit s ARG 20 Cb -0.32 -0.56 -0.05 0.00 -0.45 0.00 0.00 34.95 33.57 1pit s ARG 20 CO 0.28 -0.50 0.10 0.71 -0.68 0.00 0.00 175.30 175.20 1pit s TYR 21 N -3.21 1.38 -0.18 -0.53 1.51 -0.27 -0.11 117.35 115.94 1pit s TYR 21 Ca 0.24 -1.23 -0.29 0.00 -1.01 0.00 0.00 57.07 54.77 1pit s TYR 21 Cb 0.02 -0.77 0.13 0.00 -0.11 0.00 0.00 41.96 41.23 1pit s TYR 21 CO 0.15 -0.42 1.01 -0.59 -1.11 0.00 0.00 175.55 174.59 1pit s PHE 22 N -3.88 -0.38 -0.87 2.71 -0.71 -0.87 -0.79 117.98 113.19 1pit s PHE 22 Ca 0.37 0.69 -0.25 0.00 -1.04 0.00 0.00 56.93 56.70 1pit s PHE 22 Cb 0.07 0.44 -0.03 0.00 -1.21 0.00 0.00 43.02 42.29 1pit s PHE 22 CO 0.12 -0.32 1.86 -0.47 -1.34 0.00 0.00 175.22 175.07 1pit s TYR 23 N -0.92 1.89 -0.74 3.49 5.04 -1.26 -0.71 117.35 124.15 1pit s TYR 23 Ca -0.01 0.45 -0.26 0.00 -2.44 0.00 0.00 57.07 54.80 1pit s TYR 23 Cb -0.01 -4.15 0.02 0.00 0.35 0.00 0.00 41.96 38.17 1pit s TYR 23 CO 0.00 -1.86 1.45 1.21 -1.34 0.00 0.00 175.55 175.02 1pit s ASN 24 N 7.55 5.95 0.30 4.32 2.47 -0.62 -4.39 114.94 130.51 1pit s ASN 24 Ca 0.66 -0.36 0.19 0.00 0.42 0.00 0.00 52.86 53.77 1pit s ASN 24 Cb -0.07 -2.55 1.05 0.00 -1.45 0.00 0.00 41.25 38.23 1pit s ASN 24 CO 0.01 -1.97 1.58 0.00 -3.72 0.00 0.00 177.10 173.00 1pit n ALA 25 N 10.27 0.99 0.04 1.71 0.00 -1.26 -0.30 120.51 131.95 1pit n ALA 25 Ca 0.11 0.18 -0.10 0.00 0.00 0.00 0.00 53.44 53.62 1pit n ALA 25 Cb 0.50 -1.23 -0.13 0.00 0.00 0.00 0.00 19.45 18.59 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 0.08 0.10 0.00 3.11 -1.94 -3.36 116.57 114.56 1pit h LYS 26 Ca 0.00 -0.13 -0.34 0.00 -2.81 0.00 0.00 60.65 57.37 1pit h LYS 26 Cb 0.07 0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 31.33 1pit h LYS 26 CO 0.00 0.92 -1.82 0.00 -2.81 0.00 0.00 179.45 175.74 1pit h ALA 27 N 0.85 0.39 0.00 5.00 0.00 -1.56 -3.49 119.26 120.45 1pit h ALA 27 Ca -0.14 -1.34 0.00 0.00 0.00 0.00 0.00 54.91 53.43 1pit h ALA 27 Cb 1.90 0.71 0.00 0.00 0.00 0.00 0.00 17.79 20.40 1pit h ALA 27 CO 0.13 1.17 0.00 0.41 0.00 0.00 0.00 179.25 180.96 1pit n GLY 28 N 1.86 1.98 1.50 0.00 0.00 0.59 -5.09 105.19 106.02 1pit n GLY 28 Ca -0.32 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -4.65 0.99 -0.00 -1.22 -5.03 117.00 107.09 1pit n LEU 29 Ca 0.00 -0.36 -0.40 0.00 -0.00 0.00 0.00 56.01 55.25 1pit n LEU 29 Cb 0.00 0.89 -0.06 0.00 -0.00 0.00 0.00 43.42 44.25 1pit n LEU 29 CO 0.00 -0.12 0.41 0.00 -0.00 0.00 0.00 177.39 177.68 1pit s GLN 31 N 2.18 2.24 0.19 0.00 -0.21 0.12 -4.87 119.66 119.31 1pit s GLN 31 Ca 0.29 -2.13 0.09 0.00 0.02 0.00 0.00 55.36 53.62 1pit s GLN 31 Cb -0.16 -1.95 -0.04 0.00 1.00 0.00 0.00 33.01 31.86 1pit s GLN 31 CO 0.10 -0.57 -0.18 0.95 -2.12 0.00 0.00 175.29 173.47 1pit s THR 32 N -2.81 1.90 0.07 -0.19 -4.23 -1.26 -2.06 115.64 107.06 1pit s THR 32 Ca 0.26 -2.06 -0.27 0.00 -1.18 0.00 0.00 61.69 58.44 1pit s THR 32 Cb -0.01 -1.96 0.08 0.00 1.34 0.00 0.00 72.50 71.95 1pit s THR 32 CO 0.16 -0.39 0.95 0.72 -0.54 0.00 0.00 174.62 175.52 1pit s PHE 33 N -2.34 -0.22 -0.19 3.99 -0.71 0.84 -4.93 117.98 114.42 1pit s PHE 33 Ca 0.19 0.00 -0.21 0.00 -1.04 0.00 0.00 56.93 55.87 1pit s PHE 33 Cb -0.04 0.59 -0.02 0.00 -1.21 0.00 0.00 43.02 42.33 1pit s PHE 33 CO 0.08 -0.66 0.66 0.08 -1.34 0.00 0.00 175.22 174.03 1pit s VAL 34 N -3.15 5.00 -0.04 -2.49 1.01 -1.26 -0.32 120.40 119.15 1pit s VAL 34 Ca 0.09 1.25 0.03 0.00 0.00 0.00 0.00 61.98 63.35 1pit s VAL 34 Cb -0.01 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 1pit s VAL 34 CO -0.03 0.10 -0.11 -0.47 0.00 0.00 0.00 175.10 174.59 1pit s TYR 35 N 1.91 2.80 0.00 5.22 5.04 0.79 -4.68 117.35 128.43 1pit s TYR 35 Ca 0.30 -0.09 0.00 0.00 -2.44 0.00 0.00 57.07 54.84 1pit s TYR 35 Cb -0.16 -1.64 0.00 0.00 0.35 0.00 0.00 41.96 40.51 1pit s TYR 35 CO 0.11 0.27 0.66 0.41 -1.34 0.00 0.00 175.55 175.65 1pit n GLY 36 N 2.10 -3.06 0.00 8.97 0.00 -0.07 0.39 105.19 113.51 1pit n GLY 36 Ca -0.17 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.78 1.28 3.71 -0.02 0.00 -1.25 -2.66 105.19 105.46 1pit n GLY 37 Ca 0.00 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.34 -5.20 -2.28 0.00 5.12 -1.26 -4.67 116.66 108.04 1pit n ARG 39 Ca -0.09 0.80 -0.41 0.00 -1.93 0.00 0.00 57.85 56.23 1pit n ARG 39 Cb 0.56 -5.69 -0.03 0.00 -1.16 0.00 0.00 32.46 26.13 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 -3.42 3.46 0.89 7.54 0.00 -1.26 -4.81 121.76 124.16 1pit s ALA 40 Ca 0.12 1.09 -0.10 0.00 0.00 0.00 0.00 51.96 53.07 1pit s ALA 40 Cb -0.02 -3.42 0.19 0.00 0.00 0.00 0.00 23.12 19.88 1pit s ALA 40 CO 0.75 -0.43 1.22 0.15 0.00 0.00 0.00 175.76 177.45 1pit s LYS 41 N -1.42 0.85 0.03 0.00 -0.14 -1.26 -5.03 119.74 112.77 1pit s LYS 41 Ca 0.48 -0.82 -0.10 0.00 -1.36 0.00 0.00 55.97 54.17 1pit s LYS 41 Cb -0.36 -2.03 -0.32 0.00 -1.68 0.00 0.00 37.83 33.44 1pit s LYS 41 CO 0.46 -2.16 0.97 0.00 -0.76 0.00 0.00 175.35 173.86 1pit h ARG 42 N -1.28 0.41 -4.43 1.68 3.08 -1.96 -3.36 114.38 108.52 1pit h ARG 42 Ca -0.40 -0.69 -0.69 0.00 0.07 0.00 0.00 59.98 58.26 1pit h ARG 42 Cb 1.23 0.26 -0.04 0.00 0.08 0.00 0.00 29.97 31.50 1pit h ARG 42 CO 0.34 1.32 2.85 -1.71 -1.07 0.00 0.00 179.97 181.70 1pit n ASN 43 N -3.61 3.95 -3.65 7.04 5.15 -1.26 -4.81 115.26 118.07 1pit n ASN 43 Ca -0.16 -2.84 -0.06 0.00 -0.60 0.00 0.00 54.58 50.92 1pit n ASN 43 Cb 1.07 -1.63 -0.08 0.00 -0.53 0.00 0.00 39.78 38.61 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 3.62 -0.49 0.38 1.20 2.47 -1.26 -4.64 114.94 116.22 1pit s ASN 44 Ca 0.50 1.13 0.04 0.00 0.42 0.00 0.00 52.86 54.95 1pit s ASN 44 Cb 0.12 1.60 -0.05 0.00 -1.45 0.00 0.00 41.25 41.47 1pit s ASN 44 CO -0.04 -0.23 0.06 -0.36 -3.72 0.00 0.00 177.10 172.82 1pit s PHE 45 N 2.69 1.98 -0.22 0.43 0.08 0.03 -4.93 117.98 118.03 1pit s PHE 45 Ca -0.03 -1.00 0.06 0.00 0.12 0.00 0.00 56.93 56.09 1pit s PHE 45 Cb -0.12 -1.36 -0.18 0.00 -0.57 0.00 0.00 43.02 40.79 1pit s PHE 45 CO -0.14 0.02 -0.13 1.63 -0.10 0.00 0.00 175.22 176.49 1pit n LYS 46 N -0.86 0.70 -4.14 0.44 4.01 -1.26 -1.12 118.16 115.93 1pit n LYS 46 Ca -0.06 0.09 -0.12 0.00 -0.51 0.00 0.00 58.31 57.71 1pit n LYS 46 Cb 0.66 -1.48 -0.11 0.00 -0.51 0.00 0.00 35.03 33.59 1pit n LYS 46 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 1pit s SER 47 N -6.03 1.16 0.29 4.39 1.04 -1.26 -4.81 113.70 108.48 1pit s SER 47 Ca -0.25 -0.82 -0.02 0.00 0.48 0.00 0.00 55.95 55.33 1pit s SER 47 Cb 0.08 0.05 0.41 0.00 0.10 0.00 0.00 66.02 66.66 1pit s SER 47 CO 0.62 -0.33 1.91 0.00 0.98 0.00 0.00 173.24 176.42 1pit h ALA 48 N 3.57 1.32 0.01 5.32 0.00 -1.94 -0.49 119.26 127.06 1pit h ALA 48 Ca -0.36 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.46 1pit h ALA 48 Cb 1.18 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 1pit h ALA 48 CO 0.54 0.55 -0.27 1.49 0.00 0.00 0.00 179.25 181.56 1pit h GLU 49 N 1.01 -0.40 -0.28 0.00 4.81 -1.99 0.85 114.58 118.58 1pit h GLU 49 Ca 0.25 0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.47 1pit h GLU 49 Cb 0.04 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1pit h GLU 49 CO -0.04 -0.27 0.02 0.22 -0.73 0.00 0.00 179.01 178.21 1pit h ASP 50 N -0.42 0.48 -0.19 1.04 3.58 -1.92 0.58 116.42 119.56 1pit h ASP 50 Ca 0.06 -0.29 0.05 0.00 0.42 0.00 0.00 57.03 57.26 1pit h ASP 50 Cb 0.50 -0.13 -0.07 0.00 1.72 0.00 0.00 39.33 41.35 1pit h ASP 50 CO -0.23 0.65 -0.45 0.00 -2.88 0.00 0.00 179.24 176.33 1pit h MET 52 N -0.48 -0.88 -1.02 0.00 2.86 -0.78 0.10 114.93 114.73 1pit h MET 52 Ca 0.08 0.06 0.25 0.00 -2.06 0.00 0.00 59.70 58.03 1pit h MET 52 Cb 0.63 0.20 -0.09 0.00 0.06 0.00 0.00 31.60 32.40 1pit h MET 52 CO -0.45 -0.59 0.66 -0.09 1.06 0.00 0.00 176.91 177.51 1pit h ARG 53 N -0.91 0.40 0.38 1.72 2.43 -0.56 0.44 114.38 118.28 1pit h ARG 53 Ca -0.08 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 1pit h ARG 53 Cb 0.72 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1pit h ARG 53 CO 0.11 0.26 -0.18 1.15 -1.51 0.00 0.00 179.97 179.80 1pit h THR 54 N 0.41 0.37 0.00 0.20 2.02 -0.15 -3.44 112.91 112.32 1pit h THR 54 Ca 0.57 -0.66 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1pit h THR 54 Cb 1.43 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 68.42 1pit h THR 54 CO -0.28 0.08 0.00 0.00 0.37 0.00 0.00 175.52 175.69 1pit n GLY 56 N 2.01 0.11 3.23 0.00 0.00 0.14 -4.69 105.19 105.99 1pit n GLY 56 Ca 0.00 1.17 -0.39 0.00 0.00 0.00 0.00 46.02 46.80 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 -0.20 2.20 3.37 -0.02 0.00 -1.26 -5.00 105.19 104.28 1pit n GLY 57 Ca -0.08 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.81 1pit n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32