#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 2.79 0.21 2.89 0.04 -1.26 -5.00 135.00 134.68 1pit s PRO 2 Ca 0.00 0.62 -0.00 0.00 0.04 0.00 0.00 61.00 61.66 1pit s PRO 2 Cb 0.00 -2.00 0.18 0.00 0.04 0.00 0.00 34.50 32.72 1pit s PRO 2 CO 0.00 -1.12 1.53 0.22 0.04 0.00 0.00 177.00 177.67 1pit h ASP 3 N -0.72 0.48 0.31 6.66 3.58 -2.05 -3.16 116.42 121.51 1pit h ASP 3 Ca -0.45 -0.26 -0.01 0.00 0.42 0.00 0.00 57.03 56.72 1pit h ASP 3 Cb 1.24 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 42.15 1pit h ASP 3 CO 0.61 0.94 -0.07 2.19 -2.88 0.00 0.00 179.24 180.04 1pit h PHE 4 N 0.33 0.00 -0.00 0.28 -5.15 -2.01 -0.68 116.94 109.71 1pit h PHE 4 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1pit h PHE 4 Cb 1.09 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.26 1pit h PHE 4 CO 0.04 0.07 0.15 0.00 -2.00 0.00 0.00 178.31 176.56 1pit n LEU 6 N -3.00 4.18 -4.70 0.00 4.32 -0.26 -4.24 117.00 113.31 1pit n LEU 6 Ca -0.03 -2.16 -0.31 0.00 -0.02 0.00 0.00 56.01 53.49 1pit n LEU 6 Cb 0.21 -0.51 0.15 0.00 -1.62 0.00 0.00 43.42 41.65 1pit n LEU 6 CO 0.17 0.92 0.70 -1.61 -1.22 0.00 0.00 177.39 176.34 1pit s GLU 7 N -1.30 1.35 0.45 3.23 2.02 -0.42 -4.86 118.70 119.17 1pit s GLU 7 Ca 0.48 1.50 -0.05 0.00 0.02 0.00 0.00 54.97 56.93 1pit s GLU 7 Cb 0.27 -1.77 -0.04 0.00 0.10 0.00 0.00 34.13 32.70 1pit s GLU 7 CO 0.29 -2.38 0.74 -1.25 0.02 0.00 0.00 175.26 172.69 1pit s PRO 8 N -4.62 3.56 -0.71 0.39 0.04 -1.26 -4.85 135.00 127.54 1pit s PRO 8 Ca 0.66 0.15 -0.26 0.00 0.04 0.00 0.00 61.00 61.59 1pit s PRO 8 Cb -0.22 -2.42 -0.02 0.00 0.04 0.00 0.00 34.50 31.88 1pit s PRO 8 CO 0.56 -0.13 1.77 -1.25 0.04 0.00 0.00 177.00 178.00 1pit s PRO 9 N -4.55 2.74 -0.69 0.56 0.04 -1.26 -4.93 135.00 126.90 1pit s PRO 9 Ca 0.47 0.21 -0.25 0.00 0.04 0.00 0.00 61.00 61.47 1pit s PRO 9 Cb -0.10 -4.54 0.05 0.00 0.04 0.00 0.00 34.50 29.95 1pit s PRO 9 CO 0.42 -2.75 1.11 -0.47 0.04 0.00 0.00 177.00 175.35 1pit s TYR 10 N 8.58 2.49 0.27 0.56 5.04 -1.26 -4.88 117.35 128.15 1pit s TYR 10 Ca 0.62 -0.28 -0.04 0.00 -2.44 0.00 0.00 57.07 54.93 1pit s TYR 10 Cb -0.10 -4.45 0.36 0.00 0.35 0.00 0.00 41.96 38.12 1pit s TYR 10 CO 0.14 -1.84 1.90 1.15 -1.34 0.00 0.00 175.55 175.56 1pit h THR 11 N 6.00 1.23 0.00 4.34 2.02 -1.92 -3.44 112.91 121.15 1pit h THR 11 Ca -0.28 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.34 1pit h THR 11 Cb 1.06 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 1pit h THR 11 CO 1.22 0.25 0.00 0.61 0.37 0.00 0.00 175.52 177.98 1pit n GLY 12 N -1.21 0.41 0.00 2.16 0.00 -1.26 -1.16 105.19 104.14 1pit n GLY 12 Ca 0.08 -1.82 0.11 0.00 0.00 0.00 0.00 46.02 44.40 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 0.62 0.54 -2.97 1.61 -0.04 -1.26 -4.84 135.00 128.67 1pit n PRO 13 Ca 0.00 0.03 -0.37 0.00 -0.04 0.00 0.00 63.50 63.12 1pit n PRO 13 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 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 0.98 3.60 -4.32 0.00 4.76 -1.26 -4.72 118.16 117.19 1pit n LYS 15 Ca -0.02 -3.60 -0.20 0.00 -2.87 0.00 0.00 58.31 51.62 1pit n LYS 15 Cb 0.50 -2.93 -0.08 0.00 -1.84 0.00 0.00 35.03 30.67 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 0.50 2.02 -0.13 7.82 0.00 -1.26 -5.09 121.76 125.61 1pit s ALA 16 Ca 0.40 -1.85 -0.08 0.00 0.00 0.00 0.00 51.96 50.42 1pit s ALA 16 Cb 0.08 1.31 0.05 0.00 0.00 0.00 0.00 23.12 24.55 1pit s ALA 16 CO 0.01 -0.58 0.33 1.03 0.00 0.00 0.00 175.76 176.54 1pit s ARG 17 N -3.59 0.32 -0.12 0.00 3.00 -1.21 -4.43 118.95 112.91 1pit s ARG 17 Ca 0.37 0.62 -0.04 0.00 0.00 0.00 0.00 55.73 56.68 1pit s ARG 17 Cb 0.03 -0.02 0.06 0.00 0.00 0.00 0.00 34.95 35.02 1pit s ARG 17 CO 0.23 -0.14 0.23 0.42 0.00 0.00 0.00 175.30 176.04 1pit s ILE 18 N 1.09 -0.36 -0.02 1.52 1.01 0.19 -4.94 121.20 119.69 1pit s ILE 18 Ca -0.07 0.28 -0.30 0.00 0.00 0.00 0.00 60.65 60.55 1pit s ILE 18 Cb -0.08 -0.42 -0.06 0.00 0.01 0.00 0.00 42.46 41.91 1pit s ILE 18 CO -0.08 0.10 1.70 -0.63 0.00 0.00 0.00 174.94 176.03 1pit s ILE 19 N 2.38 3.43 0.38 2.92 -1.09 -1.26 -0.40 121.20 127.56 1pit s ILE 19 Ca 0.02 0.57 0.05 0.00 -2.23 0.00 0.00 60.65 59.06 1pit s ILE 19 Cb -0.12 -3.37 -0.02 0.00 -1.58 0.00 0.00 42.46 37.37 1pit s ILE 19 CO -0.08 -0.04 0.17 0.54 -1.23 0.00 0.00 174.94 174.30 1pit n ARG 20 N 6.98 0.55 -4.39 2.79 5.12 0.27 -4.92 116.66 123.06 1pit n ARG 20 Ca 0.17 -3.36 -0.19 0.00 -1.93 0.00 0.00 57.85 52.54 1pit n ARG 20 Cb 0.42 2.01 -0.10 0.00 -1.16 0.00 0.00 32.46 33.63 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 -3.11 1.78 -0.03 -1.55 1.51 0.05 -0.04 117.35 115.97 1pit s TYR 21 Ca 0.24 -0.91 -0.30 0.00 -1.01 0.00 0.00 57.07 55.09 1pit s TYR 21 Cb 0.01 -1.09 0.07 0.00 -0.11 0.00 0.00 41.96 40.85 1pit s TYR 21 CO 0.17 0.02 0.68 -0.59 -1.11 0.00 0.00 175.55 174.72 1pit s PHE 22 N -3.32 -0.63 -0.22 2.71 -0.71 0.62 -0.23 117.98 116.20 1pit s PHE 22 Ca 0.32 1.01 -0.29 0.00 -1.04 0.00 0.00 56.93 56.93 1pit s PHE 22 Cb 0.07 0.43 -0.01 0.00 -1.21 0.00 0.00 43.02 42.30 1pit s PHE 22 CO 0.12 -0.63 1.29 -0.47 -1.34 0.00 0.00 175.22 174.19 1pit s TYR 23 N -1.51 2.76 -0.66 3.49 6.14 -1.26 -0.81 117.35 125.50 1pit s TYR 23 Ca -0.09 0.94 -0.11 0.00 0.64 0.00 0.00 57.07 58.44 1pit s TYR 23 Cb -0.00 -3.69 0.17 0.00 0.42 0.00 0.00 41.96 38.86 1pit s TYR 23 CO 0.07 -1.74 0.56 1.21 0.64 0.00 0.00 175.55 176.29 1pit s ASN 24 N 2.39 6.13 0.65 4.32 2.47 -0.29 -4.71 114.94 125.90 1pit s ASN 24 Ca 0.56 -2.38 0.28 0.00 0.42 0.00 0.00 52.86 51.73 1pit s ASN 24 Cb -0.20 -2.10 1.52 0.00 -1.45 0.00 0.00 41.25 39.02 1pit s ASN 24 CO 0.18 -0.61 1.85 0.00 -3.72 0.00 0.00 177.10 174.80 1pit h ALA 25 N 7.99 1.35 0.00 1.71 0.00 -1.84 0.26 119.26 128.74 1pit h ALA 25 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1pit h ALA 25 Cb 1.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1pit h ALA 25 CO 0.82 -0.35 0.00 -0.22 0.00 0.00 0.00 179.25 179.50 1pit h LYS 26 N 0.00 0.00 0.00 0.00 3.11 -1.94 -3.33 116.57 114.41 1pit h LYS 26 Ca 0.00 0.00 -0.15 0.00 -2.81 0.00 0.00 60.65 57.69 1pit h LYS 26 Cb 0.72 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.92 1pit h LYS 26 CO 0.00 0.00 -1.53 0.00 -2.81 0.00 0.00 179.45 175.11 1pit n ALA 27 N -1.85 1.94 -0.10 5.00 0.00 -0.18 -5.07 120.51 120.25 1pit n ALA 27 Ca 0.05 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1pit n ALA 27 Cb 0.42 0.31 0.00 0.00 0.00 0.00 0.00 19.45 20.18 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 2.89 0.94 2.75 0.00 0.00 0.74 -5.10 105.19 107.40 1pit n GLY 28 Ca -0.17 -0.03 -0.02 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.02 0.00 -4.64 0.99 -0.00 -1.24 -5.00 117.00 107.09 1pit n LEU 29 Ca 0.00 -1.01 -0.38 0.00 -0.00 0.00 0.00 56.01 54.61 1pit n LEU 29 Cb 0.02 1.98 -0.08 0.00 -0.00 0.00 0.00 43.42 45.34 1pit n LEU 29 CO 0.00 -0.34 0.07 0.00 -0.00 0.00 0.00 177.39 177.12 1pit s GLN 31 N 1.60 1.52 0.36 0.00 -0.21 0.01 -4.90 119.66 118.04 1pit s GLN 31 Ca 0.17 -1.79 -0.03 0.00 0.02 0.00 0.00 55.36 53.73 1pit s GLN 31 Cb -0.15 -0.95 -0.04 0.00 1.00 0.00 0.00 33.01 32.87 1pit s GLN 31 CO 0.08 -0.05 0.62 0.95 -2.12 0.00 0.00 175.29 174.77 1pit s THR 32 N -3.19 5.02 0.23 -0.19 -4.23 -1.26 -0.28 115.64 111.75 1pit s THR 32 Ca 0.31 -0.09 -0.22 0.00 -1.18 0.00 0.00 61.69 60.50 1pit s THR 32 Cb 0.06 -3.82 0.04 0.00 1.34 0.00 0.00 72.50 70.11 1pit s THR 32 CO 0.12 -0.56 0.75 0.72 -0.54 0.00 0.00 174.62 175.11 1pit s PHE 33 N -2.35 -0.23 -0.16 3.99 -0.71 0.94 -4.87 117.98 114.58 1pit s PHE 33 Ca 0.43 -0.16 -0.19 0.00 -1.04 0.00 0.00 56.93 55.98 1pit s PHE 33 Cb -0.10 0.67 -0.03 0.00 -1.21 0.00 0.00 43.02 42.35 1pit s PHE 33 CO 0.36 -1.10 0.53 0.08 -1.34 0.00 0.00 175.22 173.76 1pit s VAL 34 N -3.77 5.12 0.10 -2.49 1.01 -1.26 -0.56 120.40 118.55 1pit s VAL 34 Ca 0.10 1.01 0.06 0.00 0.00 0.00 0.00 61.98 63.15 1pit s VAL 34 Cb -0.04 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 1pit s VAL 34 CO 0.03 0.22 -0.05 -0.47 0.00 0.00 0.00 175.10 174.83 1pit s TYR 35 N 1.28 2.86 0.00 5.22 5.04 0.46 -4.63 117.35 127.58 1pit s TYR 35 Ca 0.26 -0.10 0.00 0.00 -2.44 0.00 0.00 57.07 54.79 1pit s TYR 35 Cb -0.15 -1.47 0.00 0.00 0.35 0.00 0.00 41.96 40.68 1pit s TYR 35 CO 0.10 0.46 0.24 0.41 -1.34 0.00 0.00 175.55 175.42 1pit n GLY 36 N 0.58 -0.54 0.00 8.97 0.00 -0.31 0.55 105.19 114.44 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 1.04 0.00 3.63 -0.02 0.00 -1.25 -3.36 105.19 105.23 1pit n GLY 37 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 1.91 -7.04 -1.67 0.00 5.12 -1.26 -4.64 116.66 109.09 1pit n ARG 39 Ca -0.12 0.81 -0.48 0.00 -1.93 0.00 0.00 57.85 56.13 1pit n ARG 39 Cb 0.56 -5.80 -0.05 0.00 -1.16 0.00 0.00 32.46 26.01 1pit n ARG 39 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1pit n ALA 40 N -4.57 0.93 -1.93 7.54 0.00 -1.26 -4.91 120.51 116.30 1pit n ALA 40 Ca -0.14 0.40 -0.27 0.00 0.00 0.00 0.00 53.44 53.43 1pit n ALA 40 Cb 0.61 -2.37 0.09 0.00 0.00 0.00 0.00 19.45 17.78 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 2.04 1.89 0.23 0.00 -0.14 -1.26 -5.00 119.74 117.49 1pit s LYS 41 Ca 0.85 -0.28 -0.01 0.00 -1.36 0.00 0.00 55.97 55.17 1pit s LYS 41 Cb -0.72 -2.10 0.24 0.00 -1.68 0.00 0.00 37.83 33.57 1pit s LYS 41 CO 0.44 -1.49 1.61 0.00 -0.76 0.00 0.00 175.35 175.15 1pit h ARG 42 N -0.83 0.55 -3.58 1.68 3.08 -1.94 -3.23 114.38 110.12 1pit h ARG 42 Ca -0.44 -0.27 -0.51 0.00 0.07 0.00 0.00 59.98 58.83 1pit h ARG 42 Cb 1.30 -0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.37 1pit h ARG 42 CO 0.56 0.85 2.84 -1.71 -1.07 0.00 0.00 179.97 181.44 1pit n ASN 43 N -4.04 5.18 -3.25 7.04 2.85 -1.26 -4.66 115.26 117.12 1pit n ASN 43 Ca -0.01 -2.47 0.03 0.00 -0.11 0.00 0.00 54.58 52.02 1pit n ASN 43 Cb 0.50 -1.23 -0.02 0.00 1.24 0.00 0.00 39.78 40.27 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 3.43 -1.25 0.33 1.20 3.84 -1.22 -4.72 114.94 116.55 1pit s ASN 44 Ca 0.49 0.96 0.07 0.00 0.21 0.00 0.00 52.86 54.59 1pit s ASN 44 Cb 0.13 2.12 -0.06 0.00 -0.55 0.00 0.00 41.25 42.88 1pit s ASN 44 CO -0.02 -0.23 -0.03 -0.36 -2.79 0.00 0.00 177.10 173.67 1pit s PHE 45 N 2.86 2.15 -0.56 0.43 0.08 0.68 -4.96 117.98 118.66 1pit s PHE 45 Ca 0.14 -0.71 0.22 0.00 0.12 0.00 0.00 56.93 56.69 1pit s PHE 45 Cb -0.14 -1.33 -0.17 0.00 -0.57 0.00 0.00 43.02 40.81 1pit s PHE 45 CO -0.20 0.31 0.81 1.63 -0.10 0.00 0.00 175.22 177.67 1pit n LYS 46 N -0.72 0.31 -3.91 0.44 5.02 -1.26 -0.77 118.16 117.26 1pit n LYS 46 Ca -0.05 -0.06 -0.09 0.00 -2.02 0.00 0.00 58.31 56.09 1pit n LYS 46 Cb 0.65 -1.54 -0.04 0.00 -0.02 0.00 0.00 35.03 34.08 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 -3.80 -0.16 0.44 4.39 1.04 -1.26 -4.81 113.70 109.54 1pit s SER 47 Ca 0.01 -0.76 0.15 0.00 0.48 0.00 0.00 55.95 55.83 1pit s SER 47 Cb 0.15 0.61 0.99 0.00 0.10 0.00 0.00 66.02 67.87 1pit s SER 47 CO 0.86 -1.17 1.97 0.00 0.98 0.00 0.00 173.24 175.89 1pit h ALA 48 N 2.19 1.63 0.34 5.32 0.00 -1.92 -2.24 119.26 124.58 1pit h ALA 48 Ca -0.25 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 1pit h ALA 48 Cb 1.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1pit h ALA 48 CO 0.33 0.26 -0.16 1.49 0.00 0.00 0.00 179.25 181.17 1pit h GLU 49 N 0.00 -0.44 0.25 0.00 4.81 -1.99 0.83 114.58 118.05 1pit h GLU 49 Ca -0.00 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1pit h GLU 49 Cb 0.37 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 1pit h GLU 49 CO 0.03 -0.27 -0.29 -0.44 -0.73 0.00 0.00 179.01 177.30 1pit h ASP 50 N -0.48 -0.79 -0.47 1.04 3.32 -1.94 0.67 116.42 117.77 1pit h ASP 50 Ca -0.05 0.08 0.09 0.00 0.02 0.00 0.00 57.03 57.17 1pit h ASP 50 Cb 0.37 0.28 -0.10 0.00 0.22 0.00 0.00 39.33 40.09 1pit h ASP 50 CO 0.08 -0.41 -0.26 0.00 -1.72 0.00 0.00 179.24 176.93 1pit h MET 52 N -0.16 0.19 -0.84 0.00 2.86 -0.68 0.19 114.93 116.49 1pit h MET 52 Ca 0.21 -0.01 0.11 0.00 -2.06 0.00 0.00 59.70 57.95 1pit h MET 52 Cb 0.50 -0.04 -0.06 0.00 0.06 0.00 0.00 31.60 32.05 1pit h MET 52 CO -0.57 0.13 0.55 -0.09 1.06 0.00 0.00 176.91 177.99 1pit h ARG 53 N 0.20 0.72 0.64 1.72 2.43 0.69 0.21 114.38 120.99 1pit h ARG 53 Ca 0.06 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 1pit h ARG 53 Cb -0.02 -0.16 0.01 0.00 -0.42 0.00 0.00 29.97 29.38 1pit h ARG 53 CO -0.02 0.48 -0.31 1.15 -1.51 0.00 0.00 179.97 179.76 1pit h THR 54 N 0.74 0.00 0.00 0.20 2.02 -0.63 -3.44 112.91 111.80 1pit h THR 54 Ca 0.40 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 67.25 1pit h THR 54 Cb 0.54 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 1pit h THR 54 CO -0.17 0.00 -0.47 0.00 0.37 0.00 0.00 175.52 175.25 1pit n GLY 56 N 1.55 -0.15 2.45 0.00 0.00 0.66 -4.88 105.19 104.81 1pit n GLY 56 Ca -0.07 0.16 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.31 2.67 3.79 -0.02 0.00 -1.26 -5.04 105.19 103.01 1pit n GLY 57 Ca -0.26 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.14 1pit n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32