#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 4.17 0.42 2.89 0.04 -1.26 -4.90 135.00 136.36 1pit s PRO 2 Ca 0.00 2.28 0.17 0.00 0.04 0.00 0.00 61.00 63.48 1pit s PRO 2 Cb 0.00 -2.94 1.07 0.00 0.04 0.00 0.00 34.50 32.67 1pit s PRO 2 CO 0.00 -0.37 1.86 0.22 0.04 0.00 0.00 177.00 178.75 1pit h ASP 3 N 3.05 0.42 0.40 6.66 3.58 -2.03 0.71 116.42 129.20 1pit h ASP 3 Ca -0.50 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 56.99 1pit h ASP 3 Cb 1.24 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 42.25 1pit h ASP 3 CO 0.64 0.18 -0.03 2.19 -2.88 0.00 0.00 179.24 179.33 1pit h PHE 4 N 0.42 0.00 0.00 0.28 -5.15 -1.98 0.47 116.94 110.98 1pit h PHE 4 Ca 0.45 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.22 1pit h PHE 4 Cb 1.10 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.27 1pit h PHE 4 CO -0.00 0.03 0.10 0.00 -2.00 0.00 0.00 178.31 176.45 1pit n LEU 6 N -2.98 2.79 -4.76 0.00 4.32 0.16 -4.42 117.00 112.10 1pit n LEU 6 Ca -0.03 -1.00 -0.40 0.00 -0.02 0.00 0.00 56.01 54.56 1pit n LEU 6 Cb 0.17 -0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 41.93 1pit n LEU 6 CO 0.17 0.48 0.84 -1.83 -1.22 0.00 0.00 177.39 175.83 1pit s GLU 7 N -1.78 4.48 0.80 3.23 -1.05 -0.00 -4.76 118.70 119.61 1pit s GLU 7 Ca 0.25 1.89 -0.11 0.00 -0.15 0.00 0.00 54.97 56.85 1pit s GLU 7 Cb 0.18 -3.07 0.07 0.00 -0.44 0.00 0.00 34.13 30.87 1pit s GLU 7 CO 0.27 0.04 1.09 -1.25 0.95 0.00 0.00 175.26 176.36 1pit s PRO 8 N -1.68 2.06 -0.93 -4.83 0.04 -1.26 -4.89 135.00 123.52 1pit s PRO 8 Ca 0.48 0.91 -0.24 0.00 0.04 0.00 0.00 61.00 62.18 1pit s PRO 8 Cb -0.33 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 32.26 1pit s PRO 8 CO 0.43 -1.71 1.95 -1.25 0.04 0.00 0.00 177.00 176.46 1pit s PRO 9 N -5.00 2.55 -0.58 0.56 0.04 -1.26 -4.92 135.00 126.39 1pit s PRO 9 Ca 0.61 -0.36 -0.26 0.00 0.04 0.00 0.00 61.00 61.02 1pit s PRO 9 Cb -0.16 -5.08 0.04 0.00 0.04 0.00 0.00 34.50 29.34 1pit s PRO 9 CO 0.56 -3.43 1.10 -0.47 0.04 0.00 0.00 177.00 174.80 1pit s TYR 10 N 10.16 2.65 -0.02 0.56 6.14 -1.26 -4.87 117.35 130.72 1pit s TYR 10 Ca 0.70 0.18 0.12 0.00 0.64 0.00 0.00 57.07 58.71 1pit s TYR 10 Cb -0.06 -4.35 -0.18 0.00 0.42 0.00 0.00 41.96 37.79 1pit s TYR 10 CO 0.00 -1.54 0.96 1.15 0.64 0.00 0.00 175.55 176.76 1pit h THR 11 N 6.09 1.06 -0.97 4.34 2.02 -1.91 -3.42 112.91 120.13 1pit h THR 11 Ca -0.26 -2.77 0.00 0.00 0.77 0.00 0.00 66.41 64.15 1pit h THR 11 Cb 1.06 2.49 0.00 0.00 -1.74 0.00 0.00 68.15 69.96 1pit h THR 11 CO 1.16 0.61 0.00 0.61 0.37 0.00 0.00 175.52 178.26 1pit n GLY 12 N 1.43 0.51 0.04 2.16 0.00 -1.26 -3.27 105.19 104.80 1pit n GLY 12 Ca -0.09 -0.90 -0.03 0.00 0.00 0.00 0.00 46.02 45.01 1pit n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pit h PRO 13 N 0.00 0.00 0.00 1.61 0.13 -1.96 -3.46 132.00 128.32 1pit h PRO 13 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1pit h PRO 13 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1pit h PRO 13 CO 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.77 1pit n LYS 15 N -0.02 0.71 -3.84 0.00 4.76 -1.26 -5.11 118.16 113.40 1pit n LYS 15 Ca 0.00 -2.58 -0.09 0.00 -2.87 0.00 0.00 58.31 52.77 1pit n LYS 15 Cb 0.00 -0.63 -0.07 0.00 -1.84 0.00 0.00 35.03 32.49 1pit n LYS 15 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pit s ALA 16 N -1.52 -0.29 -0.20 7.82 0.00 -1.14 -5.11 121.76 121.31 1pit s ALA 16 Ca 0.30 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.77 1pit s ALA 16 Cb 0.36 0.43 0.05 0.00 0.00 0.00 0.00 23.12 23.95 1pit s ALA 16 CO -0.11 -0.47 -0.05 1.03 0.00 0.00 0.00 175.76 176.15 1pit s ARG 17 N -3.45 1.55 -0.06 0.00 1.81 -1.26 -4.03 118.95 113.51 1pit s ARG 17 Ca 0.02 -0.77 0.00 0.00 -1.72 0.00 0.00 55.73 53.26 1pit s ARG 17 Cb 0.03 -2.34 0.02 0.00 -0.45 0.00 0.00 34.95 32.21 1pit s ARG 17 CO -0.09 -0.52 -0.03 0.42 -0.68 0.00 0.00 175.30 174.40 1pit s ILE 18 N 1.51 0.52 0.25 1.52 1.01 0.63 -4.91 121.20 121.73 1pit s ILE 18 Ca -0.03 -0.06 -0.30 0.00 0.00 0.00 0.00 60.65 60.26 1pit s ILE 18 Cb -0.17 -0.58 -0.11 0.00 0.01 0.00 0.00 42.46 41.61 1pit s ILE 18 CO -0.07 0.24 1.52 -0.63 0.00 0.00 0.00 174.94 176.00 1pit s ILE 19 N 1.24 2.42 0.35 2.92 -1.09 -1.26 0.01 121.20 125.79 1pit s ILE 19 Ca -0.06 0.34 0.04 0.00 -2.23 0.00 0.00 60.65 58.74 1pit s ILE 19 Cb -0.14 -3.22 -0.03 0.00 -1.58 0.00 0.00 42.46 37.49 1pit s ILE 19 CO -0.02 0.05 0.16 -0.13 -1.23 0.00 0.00 174.94 173.77 1pit s ARG 20 N -0.17 1.76 0.31 2.79 1.81 0.26 -4.84 118.95 120.87 1pit s ARG 20 Ca 0.63 -2.04 0.05 0.00 -1.72 0.00 0.00 55.73 52.64 1pit s ARG 20 Cb -0.45 -0.30 -0.06 0.00 -0.45 0.00 0.00 34.95 33.70 1pit s ARG 20 CO 0.43 -0.48 0.02 0.71 -0.68 0.00 0.00 175.30 175.31 1pit s TYR 21 N -3.40 1.97 -0.04 -0.53 1.51 0.82 -0.24 117.35 117.44 1pit s TYR 21 Ca 0.31 -0.88 -0.21 0.00 -1.01 0.00 0.00 57.07 55.28 1pit s TYR 21 Cb 0.04 -1.25 0.04 0.00 -0.11 0.00 0.00 41.96 40.68 1pit s TYR 21 CO 0.18 0.10 0.46 -0.59 -1.11 0.00 0.00 175.55 174.58 1pit s PHE 22 N -3.20 -0.39 -0.10 2.71 -0.71 0.45 -0.19 117.98 116.55 1pit s PHE 22 Ca 0.34 0.65 -0.29 0.00 -1.04 0.00 0.00 56.93 56.59 1pit s PHE 22 Cb 0.07 0.22 -0.04 0.00 -1.21 0.00 0.00 43.02 42.07 1pit s PHE 22 CO 0.14 -0.47 1.51 -0.47 -1.34 0.00 0.00 175.22 174.59 1pit s TYR 23 N -1.21 2.29 -0.60 3.49 6.14 -1.26 -0.57 117.35 125.63 1pit s TYR 23 Ca -0.12 0.49 -0.17 0.00 0.64 0.00 0.00 57.07 57.92 1pit s TYR 23 Cb -0.03 -3.77 0.13 0.00 0.42 0.00 0.00 41.96 38.71 1pit s TYR 23 CO 0.06 -3.06 0.61 1.21 0.64 0.00 0.00 175.55 175.01 1pit s ASN 24 N 2.89 6.27 0.57 4.32 2.47 0.24 -4.65 114.94 127.05 1pit s ASN 24 Ca 0.67 -1.80 0.35 0.00 0.42 0.00 0.00 52.86 52.49 1pit s ASN 24 Cb -0.29 -2.24 1.41 0.00 -1.45 0.00 0.00 41.25 38.68 1pit s ASN 24 CO 0.24 -0.90 1.66 0.00 -3.72 0.00 0.00 177.10 174.38 1pit h ALA 25 N 8.84 2.99 0.00 1.71 0.00 -1.82 0.34 119.26 131.32 1pit h ALA 25 Ca -0.24 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1pit h ALA 25 Cb 1.09 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1pit h ALA 25 CO 1.03 -1.53 0.00 -0.22 0.00 0.00 0.00 179.25 178.53 1pit h LYS 26 N 0.00 0.00 0.00 0.00 3.64 -1.93 -3.09 116.57 115.19 1pit h LYS 26 Ca 0.53 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.87 1pit h LYS 26 Cb 2.43 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 34.25 1pit h LYS 26 CO -0.01 0.00 -1.43 0.00 -2.27 0.00 0.00 179.45 175.74 1pit n ALA 27 N -1.82 2.19 -2.78 5.00 0.00 -0.07 -5.03 120.51 118.01 1pit n ALA 27 Ca 0.04 -0.28 -0.11 0.00 0.00 0.00 0.00 53.44 53.09 1pit n ALA 27 Cb 0.38 -0.21 0.03 0.00 0.00 0.00 0.00 19.45 19.65 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 2.13 0.18 3.38 0.00 0.00 0.10 -5.03 105.19 105.95 1pit n GLY 28 Ca -0.04 -0.31 -0.10 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.61 0.30 -0.18 0.99 2.96 -1.18 -5.00 118.68 112.96 1pit s LEU 29 Ca 0.20 -0.38 -0.21 0.00 -0.22 0.00 0.00 54.13 53.52 1pit s LEU 29 Cb -0.09 1.92 -0.03 0.00 0.50 0.00 0.00 46.19 48.49 1pit s LEU 29 CO 0.24 -0.91 0.63 0.00 -1.32 0.00 0.00 176.35 174.99 1pit s GLN 31 N 1.78 0.86 0.47 0.00 -0.21 0.26 -4.86 119.66 117.96 1pit s GLN 31 Ca 0.30 -1.35 -0.05 0.00 0.02 0.00 0.00 55.36 54.27 1pit s GLN 31 Cb -0.16 -0.22 -0.04 0.00 1.00 0.00 0.00 33.01 33.59 1pit s GLN 31 CO 0.11 -0.02 0.77 0.95 -2.12 0.00 0.00 175.29 174.97 1pit s THR 32 N -3.62 4.92 0.08 -0.19 -4.23 -1.26 -0.41 115.64 110.93 1pit s THR 32 Ca 0.13 0.16 -0.19 0.00 -1.18 0.00 0.00 61.69 60.61 1pit s THR 32 Cb 0.05 -3.86 0.04 0.00 1.34 0.00 0.00 72.50 70.08 1pit s THR 32 CO -0.04 -0.81 0.46 0.72 -0.54 0.00 0.00 174.62 174.41 1pit s PHE 33 N -2.69 -0.33 -0.11 3.99 -0.71 0.66 -4.87 117.98 113.92 1pit s PHE 33 Ca 0.47 0.21 -0.30 0.00 -1.04 0.00 0.00 56.93 56.28 1pit s PHE 33 Cb -0.10 0.31 -0.02 0.00 -1.21 0.00 0.00 43.02 42.00 1pit s PHE 33 CO 0.44 -0.66 1.13 0.08 -1.34 0.00 0.00 175.22 174.87 1pit s VAL 34 N -3.01 4.47 0.01 -2.49 1.01 -1.26 -0.57 120.40 118.55 1pit s VAL 34 Ca -0.02 1.77 0.04 0.00 0.00 0.00 0.00 61.98 63.76 1pit s VAL 34 Cb 0.00 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 1pit s VAL 34 CO -0.06 -0.05 -0.07 -0.47 0.00 0.00 0.00 175.10 174.45 1pit s TYR 35 N 2.53 2.87 0.37 5.22 5.04 0.10 -4.81 117.35 128.67 1pit s TYR 35 Ca 0.52 -0.05 0.05 0.00 -2.44 0.00 0.00 57.07 55.14 1pit s TYR 35 Cb -0.21 -1.59 0.73 0.00 0.35 0.00 0.00 41.96 41.23 1pit s TYR 35 CO 0.17 0.38 2.01 0.78 -1.34 0.00 0.00 175.55 177.55 1pit h GLY 36 N 4.45 0.71 -0.75 8.97 0.00 -1.69 0.18 103.07 114.94 1pit h GLY 36 Ca -0.48 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 46.56 1pit h GLY 36 CO 0.54 0.28 0.00 0.61 0.00 0.00 0.00 176.54 177.96 1pit n GLY 37 N -1.37 0.84 3.62 4.60 0.00 -1.26 -2.90 105.19 108.72 1pit n GLY 37 Ca 0.04 -0.71 -0.06 0.00 0.00 0.00 0.00 46.02 45.29 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 1.16 -5.65 -1.06 0.00 5.12 -1.26 -4.81 116.66 110.16 1pit n ARG 39 Ca -0.08 0.68 -0.33 0.00 -1.93 0.00 0.00 57.85 56.19 1pit n ARG 39 Cb 0.57 -5.43 0.13 0.00 -1.16 0.00 0.00 32.46 26.57 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 -3.50 1.79 0.24 7.54 0.00 -1.26 -4.88 121.76 121.69 1pit s ALA 40 Ca 0.20 0.80 0.00 0.00 0.00 0.00 0.00 51.96 52.96 1pit s ALA 40 Cb -0.10 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1pit s ALA 40 CO 0.79 -2.36 0.00 1.63 0.00 0.00 0.00 175.76 175.83 1pit n LYS 41 N -3.44 1.71 0.02 0.00 4.76 -1.26 -5.06 118.16 114.90 1pit n LYS 41 Ca 0.13 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.36 1pit n LYS 41 Cb 0.51 0.00 -0.14 0.00 -1.84 0.00 0.00 35.03 33.56 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 0.27 -3.18 1.97 3.08 -1.97 -3.38 114.38 111.17 1pit h ARG 42 Ca 0.00 -0.47 -0.54 0.00 0.07 0.00 0.00 59.98 59.05 1pit h ARG 42 Cb 0.00 0.17 0.02 0.00 0.08 0.00 0.00 29.97 30.25 1pit h ARG 42 CO 0.00 1.22 3.26 -1.71 -1.07 0.00 0.00 179.97 181.68 1pit n ASN 43 N -3.89 7.06 -3.33 7.04 5.15 -1.26 -4.61 115.26 121.41 1pit n ASN 43 Ca -0.24 -2.46 -0.26 0.00 -0.60 0.00 0.00 54.58 51.03 1pit n ASN 43 Cb 0.92 -1.35 -0.09 0.00 -0.53 0.00 0.00 39.78 38.73 1pit n ASN 43 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1pit n ASN 44 N 3.83 -0.44 -4.91 1.20 4.13 -1.25 -4.36 115.26 113.47 1pit n ASN 44 Ca 0.63 -2.45 -0.20 0.00 1.68 0.00 0.00 54.58 54.24 1pit n ASN 44 Cb 0.19 -0.51 -0.02 0.00 -1.54 0.00 0.00 39.78 37.91 1pit n ASN 44 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 1pit s PHE 45 N -0.17 2.80 -0.60 3.10 0.08 0.73 -4.85 117.98 119.06 1pit s PHE 45 Ca 0.33 -0.42 0.18 0.00 0.12 0.00 0.00 56.93 57.15 1pit s PHE 45 Cb 0.07 -2.14 -0.22 0.00 -0.57 0.00 0.00 43.02 40.15 1pit s PHE 45 CO -0.18 -0.13 0.66 1.63 -0.10 0.00 0.00 175.22 177.10 1pit n LYS 46 N -1.59 0.88 -3.89 0.44 5.02 -1.26 -0.12 118.16 117.63 1pit n LYS 46 Ca 0.03 -0.05 -0.09 0.00 -2.02 0.00 0.00 58.31 56.18 1pit n LYS 46 Cb 0.60 -1.38 -0.04 0.00 -0.02 0.00 0.00 35.03 34.19 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 -3.15 -0.16 0.24 4.39 1.04 -1.26 -4.83 113.70 109.98 1pit s SER 47 Ca 0.03 -0.73 -0.04 0.00 0.48 0.00 0.00 55.95 55.68 1pit s SER 47 Cb 0.13 0.59 0.27 0.00 0.10 0.00 0.00 66.02 67.11 1pit s SER 47 CO 0.75 -1.12 1.77 0.00 0.98 0.00 0.00 173.24 175.63 1pit h ALA 48 N 2.22 1.09 -0.30 5.32 0.00 -1.94 -1.26 119.26 124.40 1pit h ALA 48 Ca -0.26 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.25 1pit h ALA 48 Cb 1.25 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1pit h ALA 48 CO 0.35 0.61 -0.48 1.05 0.00 0.00 0.00 179.25 180.77 1pit h GLU 49 N 0.93 0.85 -0.13 0.00 4.11 -1.97 -0.33 114.58 118.04 1pit h GLU 49 Ca 0.20 -0.52 0.04 0.00 0.07 0.00 0.00 59.36 59.15 1pit h GLU 49 Cb 0.34 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 1pit h GLU 49 CO 0.00 1.15 -0.13 -0.44 0.07 0.00 0.00 179.01 179.67 1pit h ASP 50 N 0.63 -0.41 0.03 3.06 3.32 -1.93 0.17 116.42 121.30 1pit h ASP 50 Ca 0.02 0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.16 1pit h ASP 50 Cb 1.09 0.20 -0.04 0.00 0.22 0.00 0.00 39.33 40.80 1pit h ASP 50 CO 0.11 -0.17 -0.38 0.00 -1.72 0.00 0.00 179.24 177.08 1pit h MET 52 N -0.50 0.99 -0.99 0.00 2.86 -0.87 0.24 114.93 116.66 1pit h MET 52 Ca 0.00 -0.06 0.19 0.00 -2.06 0.00 0.00 59.70 57.77 1pit h MET 52 Cb 0.53 -0.22 -0.10 0.00 0.06 0.00 0.00 31.60 31.86 1pit h MET 52 CO -0.24 0.65 0.61 -0.09 1.06 0.00 0.00 176.91 178.91 1pit h ARG 53 N 1.02 0.70 0.00 1.72 9.65 0.03 0.36 114.38 127.87 1pit h ARG 53 Ca 0.45 -0.04 -0.05 0.00 -1.10 0.00 0.00 59.98 59.24 1pit h ARG 53 Cb 0.36 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 28.77 1pit h ARG 53 CO -0.20 0.46 -0.40 1.15 2.80 0.00 0.00 179.97 183.78 1pit h THR 54 N 0.72 0.61 0.00 0.20 2.02 -0.16 -3.40 112.91 112.91 1pit h THR 54 Ca 0.56 -1.56 0.00 0.00 0.77 0.00 0.00 66.41 66.18 1pit h THR 54 Cb 0.93 1.25 0.00 0.00 -1.74 0.00 0.00 68.15 68.59 1pit h THR 54 CO -0.34 0.21 -0.12 0.00 0.37 0.00 0.00 175.52 175.64 1pit n GLY 56 N 1.49 2.39 0.78 0.00 0.00 0.13 -4.92 105.19 105.05 1pit n GLY 56 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.84 3.79 -0.02 0.00 -1.26 -4.68 105.19 101.19 1pit n GLY 57 Ca 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.07 1pit n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32