#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jot n ASP 2 N 0.00 2.70 0.06 7.28 -0.08 -1.26 -4.33 116.55 120.93 2jot n ASP 2 Ca 0.00 -1.85 -0.09 0.00 -1.51 0.00 0.00 54.79 51.34 2jot n ASP 2 Cb 0.00 -0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.33 2jot n ASP 2 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 2jot h THR 3 N 4.00 1.65 0.00 5.18 2.02 -1.98 -3.19 112.91 120.59 2jot h THR 3 Ca 0.00 -3.35 0.00 0.00 0.77 0.00 0.00 66.41 63.83 2jot h THR 3 Cb 0.85 2.85 0.00 0.00 -1.74 0.00 0.00 68.15 70.11 2jot h THR 3 CO 0.00 0.95 0.00 0.00 0.37 0.00 0.00 175.52 176.84 2jot h ARG 5 N 0.00 0.00 -6.69 0.00 3.08 -1.81 -3.29 114.38 105.67 2jot h ARG 5 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 2jot h ARG 5 Cb 0.23 0.00 0.07 0.00 0.08 0.00 0.00 29.97 30.35 2jot h ARG 5 CO 0.00 0.41 0.95 1.28 -1.07 0.00 0.00 179.97 181.54 2jot n LEU 6 N -2.98 4.06 -4.60 3.04 4.77 -1.08 -4.93 117.00 115.27 2jot n LEU 6 Ca -0.13 1.09 -0.43 0.00 -0.03 0.00 0.00 56.01 56.51 2jot n LEU 6 Cb 0.95 -1.57 -0.03 0.00 -2.33 0.00 0.00 43.42 40.44 2jot n LEU 6 CO 0.44 0.14 0.94 -2.16 -1.33 0.00 0.00 177.39 175.42 2jot s PRO 7 N 0.60 3.75 0.03 3.23 0.05 -1.26 -4.55 135.00 136.85 2jot s PRO 7 Ca 0.72 0.56 -0.29 0.00 0.05 0.00 0.00 61.00 62.03 2jot s PRO 7 Cb -0.51 -3.88 -0.04 0.00 0.05 0.00 0.00 34.50 30.12 2jot s PRO 7 CO 0.38 -1.24 0.95 -1.12 0.05 0.00 0.00 177.00 176.02 2jot s SER 8 N 2.25 7.37 0.25 6.66 0.01 -1.26 -4.93 113.70 124.05 2jot s SER 8 Ca 0.44 1.66 -0.10 0.00 1.31 0.00 0.00 55.95 59.26 2jot s SER 8 Cb -0.09 -2.56 -0.07 0.00 0.21 0.00 0.00 66.02 63.51 2jot s SER 8 CO 0.27 -0.19 0.59 -0.62 0.41 0.00 0.00 173.24 173.69 2jot s ASP 9 N 0.70 6.65 0.03 2.44 2.15 -0.26 -4.99 116.67 123.39 2jot s ASP 9 Ca 0.49 0.98 0.25 0.00 0.43 0.00 0.00 52.55 54.71 2jot s ASP 9 Cb -0.21 -2.25 0.55 0.00 -0.30 0.00 0.00 42.92 40.70 2jot s ASP 9 CO 0.28 -0.10 1.45 0.54 -0.17 0.00 0.00 175.17 177.16 2jot n ARG 10 N -0.21 0.07 -3.32 4.34 1.74 -1.26 -4.53 116.66 113.49 2jot n ARG 10 Ca 0.01 0.02 -0.18 0.00 -0.77 0.00 0.00 57.85 56.93 2jot n ARG 10 Cb 0.53 -1.55 0.02 0.00 -1.02 0.00 0.00 32.46 30.44 2jot n ARG 10 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jot n GLY 11 N 1.46 0.09 0.00 -0.13 0.00 0.13 0.13 105.19 106.86 2jot n GLY 11 Ca 0.05 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.60 2jot n GLY 11 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2jot n ARG 12 N 0.62 0.00 0.00 1.61 0.63 -1.26 -2.12 116.66 116.13 2jot n ARG 12 Ca -0.04 0.66 0.00 0.00 -0.92 0.00 0.00 57.85 57.55 2jot n ARG 12 Cb 0.58 -1.44 0.00 0.00 0.45 0.00 0.00 32.46 32.06 2jot n ARG 12 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2jot n LYS 14 N 0.00 2.72 -3.85 0.00 5.02 -1.26 -4.91 118.16 115.88 2jot n LYS 14 Ca 0.00 -1.81 -0.23 0.00 -2.02 0.00 0.00 58.31 54.26 2jot n LYS 14 Cb 0.00 -1.65 -0.05 0.00 -0.02 0.00 0.00 35.03 33.31 2jot n LYS 14 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jot s ALA 15 N -1.72 3.84 -0.40 7.82 0.00 -1.10 -5.10 121.76 125.10 2jot s ALA 15 Ca 0.32 -1.98 0.00 0.00 0.00 0.00 0.00 51.96 50.30 2jot s ALA 15 Cb 0.21 -0.69 0.24 0.00 0.00 0.00 0.00 23.12 22.88 2jot s ALA 15 CO 0.16 -0.20 1.06 0.45 0.00 0.00 0.00 175.76 177.22 2jot n SER 16 N -1.40 -2.03 -4.36 0.00 2.88 -1.26 -4.41 113.62 103.04 2jot n SER 16 Ca 0.01 -2.20 -0.32 0.00 -1.33 0.00 0.00 58.87 55.03 2jot n SER 16 Cb 0.63 1.15 -0.15 0.00 -0.75 0.00 0.00 64.21 65.10 2jot n SER 16 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2jot s PHE 17 N 0.52 2.64 -0.02 0.66 0.08 -1.20 -4.89 117.98 115.76 2jot s PHE 17 Ca 0.28 -0.56 -0.30 0.00 0.12 0.00 0.00 56.93 56.46 2jot s PHE 17 Cb 0.18 -1.70 -0.03 0.00 -0.57 0.00 0.00 43.02 40.90 2jot s PHE 17 CO -0.13 -0.12 1.11 -1.83 -0.10 0.00 0.00 175.22 174.16 2jot s GLU 18 N -0.12 4.43 0.29 0.44 1.03 -1.26 0.11 118.70 123.63 2jot s GLU 18 Ca -0.03 1.59 0.03 0.00 0.03 0.00 0.00 54.97 56.59 2jot s GLU 18 Cb -0.14 -3.48 -0.04 0.00 -0.80 0.00 0.00 34.13 29.67 2jot s GLU 18 CO 0.04 -0.28 0.16 1.03 -1.33 0.00 0.00 175.26 174.88 2jot s ARG 19 N 1.61 1.54 0.11 -4.83 1.81 -0.88 -4.90 118.95 113.40 2jot s ARG 19 Ca 0.54 -1.87 0.06 0.00 -1.72 0.00 0.00 55.73 52.75 2jot s ARG 19 Cb -0.24 -0.00 -0.04 0.00 -0.45 0.00 0.00 34.95 34.22 2jot s ARG 19 CO 0.24 -0.45 -0.04 -1.58 -0.68 0.00 0.00 175.30 172.80 2jot s TRP 20 N -3.69 2.88 0.10 -0.53 0.52 0.61 -3.02 118.94 115.81 2jot s TRP 20 Ca 0.37 -0.09 -0.11 0.00 0.02 0.00 0.00 56.10 56.29 2jot s TRP 20 Cb 0.05 -1.48 0.01 0.00 -1.15 0.00 0.00 33.47 30.90 2jot s TRP 20 CO 0.17 0.47 0.25 1.52 0.02 0.00 0.00 176.95 179.38 2jot s TYR 21 N -1.32 0.04 0.16 -1.98 1.13 -1.13 -1.12 117.35 113.13 2jot s TYR 21 Ca 0.24 -0.44 -0.26 0.00 -1.41 0.00 0.00 57.07 55.21 2jot s TYR 21 Cb -0.11 0.04 -0.08 0.00 -1.10 0.00 0.00 41.96 40.71 2jot s TYR 21 CO 0.17 -0.59 0.79 -0.06 -2.51 0.00 0.00 175.55 173.35 2jot s PHE 22 N -3.83 3.90 -0.58 -3.49 0.40 -1.15 -0.55 117.98 112.68 2jot s PHE 22 Ca 0.04 1.65 0.06 0.00 -0.60 0.00 0.00 56.93 58.08 2jot s PHE 22 Cb 0.04 -2.80 0.21 0.00 0.51 0.00 0.00 43.02 40.98 2jot s PHE 22 CO -0.11 0.48 0.56 -1.71 0.70 0.00 0.00 175.22 175.14 2jot n ASN 23 N 1.75 2.21 0.00 1.36 5.15 0.28 -4.87 115.26 121.14 2jot n ASN 23 Ca -0.05 -3.07 0.00 0.00 -0.60 0.00 0.00 54.58 50.87 2jot n ASN 23 Cb 0.49 -0.67 0.00 0.00 -0.53 0.00 0.00 39.78 39.06 2jot n ASN 23 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jot n GLY 24 N 1.62 1.51 0.00 8.20 0.00 -1.24 -3.16 105.19 112.11 2jot n GLY 24 Ca 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.25 2jot n GLY 24 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2jot n ARG 25 N 0.00 0.00 -3.02 1.61 -4.01 -1.26 -4.88 116.66 105.09 2jot n ARG 25 Ca 0.00 0.00 -0.18 0.00 -1.04 0.00 0.00 57.85 56.63 2jot n ARG 25 Cb 0.00 -0.42 0.03 0.00 -3.04 0.00 0.00 32.46 29.03 2jot n ARG 25 CO 0.00 0.00 0.00 0.99 -3.04 0.00 0.00 177.63 175.58 2jot s THR 26 N -1.00 2.64 0.71 8.89 2.01 -1.19 -4.66 115.64 123.04 2jot s THR 26 Ca 0.00 -1.00 -0.03 0.00 0.31 0.00 0.00 61.69 60.97 2jot s THR 26 Cb 0.00 -2.64 0.11 0.00 0.01 0.00 0.00 72.50 69.97 2jot s THR 26 CO 0.00 0.00 0.98 0.00 -0.69 0.00 0.00 174.62 174.91 2jot s ALA 28 N -3.15 0.22 -0.11 0.00 0.00 0.29 -4.66 121.76 114.35 2jot s ALA 28 Ca 0.64 -1.20 -0.10 0.00 0.00 0.00 0.00 51.96 51.30 2jot s ALA 28 Cb -0.07 1.04 0.03 0.00 0.00 0.00 0.00 23.12 24.12 2jot s ALA 28 CO 0.44 -0.84 0.29 0.21 0.00 0.00 0.00 175.76 175.86 2jot s LYS 29 N -3.16 0.34 0.30 0.00 2.20 -1.26 -2.82 119.74 115.33 2jot s LYS 29 Ca 0.26 0.42 -0.19 0.00 -0.36 0.00 0.00 55.97 56.10 2jot s LYS 29 Cb -0.01 0.15 0.05 0.00 -1.51 0.00 0.00 37.83 36.51 2jot s LYS 29 CO 0.16 -0.05 0.85 -0.59 -0.36 0.00 0.00 175.35 175.36 2jot s PHE 30 N 0.22 0.03 -0.80 4.03 -0.12 -1.17 -5.01 117.98 115.17 2jot s PHE 30 Ca -0.01 -0.58 -0.20 0.00 -0.05 0.00 0.00 56.93 56.10 2jot s PHE 30 Cb -0.02 0.77 0.11 0.00 -0.63 0.00 0.00 43.02 43.24 2jot s PHE 30 CO -0.00 -1.30 1.03 0.42 -0.05 0.00 0.00 175.22 175.31 2jot s ILE 31 N -2.64 4.58 -0.69 -4.49 -1.09 -1.26 -2.06 121.20 113.55 2jot s ILE 31 Ca 0.16 -1.06 -0.19 0.00 -2.23 0.00 0.00 60.65 57.32 2jot s ILE 31 Cb -0.04 -4.72 0.11 0.00 -1.58 0.00 0.00 42.46 36.23 2jot s ILE 31 CO 0.08 -1.45 0.85 -0.47 -1.23 0.00 0.00 174.94 172.72 2jot s TYR 32 N 3.21 3.00 0.66 3.97 5.04 0.31 -4.66 117.35 128.87 2jot s TYR 32 Ca 0.27 -1.02 0.42 0.00 -2.44 0.00 0.00 57.07 54.29 2jot s TYR 32 Cb -0.11 -4.12 2.31 0.00 0.35 0.00 0.00 41.96 40.39 2jot s TYR 32 CO -0.01 -1.39 2.34 0.78 -1.34 0.00 0.00 175.55 175.93 2jot h GLY 33 N 10.22 0.00 0.00 8.97 0.00 0.16 -3.18 103.07 119.24 2jot h GLY 33 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.15 2jot h GLY 33 CO 1.10 0.00 0.00 0.61 0.00 0.00 0.00 176.54 178.25 2jot n GLY 34 N -1.13 1.23 3.22 4.60 0.00 -1.25 -4.53 105.19 107.33 2jot n GLY 34 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 2jot n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jot n GLY 36 N 4.75 0.61 3.62 0.00 0.00 -1.26 -0.70 105.19 112.21 2jot n GLY 36 Ca -0.09 -0.68 -0.12 0.00 0.00 0.00 0.00 46.02 45.13 2jot n GLY 36 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jot s GLY 37 N 0.00 -0.36 0.00 -0.02 0.00 -1.26 -1.10 107.32 104.58 2jot s GLY 37 Ca 0.00 2.21 0.00 0.00 0.00 0.00 0.00 44.72 46.93 2jot s GLY 37 CO 0.00 1.63 0.00 1.16 0.00 0.00 0.00 173.10 175.89 2jot n ASN 38 N 2.13 0.00 0.00 1.64 0.23 -1.26 -5.00 115.26 113.00 2jot n ASN 38 Ca -0.14 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.91 2jot n ASN 38 Cb 0.56 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.26 2jot n ASN 38 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2jot n GLY 39 N 2.09 0.46 0.11 4.83 0.00 -1.26 -4.68 105.19 106.74 2jot n GLY 39 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 2jot n GLY 39 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2jot h ASN 40 N 0.00 0.00 -4.21 1.61 -0.73 -1.80 -3.45 115.58 107.00 2jot h ASN 40 Ca 0.00 0.00 -0.49 0.00 1.87 0.00 0.00 56.30 57.68 2jot h ASN 40 Cb 0.03 0.00 0.05 0.00 0.27 0.00 0.00 38.32 38.67 2jot h ASN 40 CO 0.00 0.18 0.38 -0.75 -0.37 0.00 0.00 177.43 176.87 2jot s LYS 41 N -3.22 3.50 -0.29 6.67 2.47 -1.26 -2.92 119.74 124.68 2jot s LYS 41 Ca -0.01 1.10 -0.24 0.00 -1.56 0.00 0.00 55.97 55.26 2jot s LYS 41 Cb 0.09 -2.06 0.14 0.00 -1.46 0.00 0.00 37.83 34.54 2jot s LYS 41 CO 0.79 -0.66 1.10 -0.06 0.16 0.00 0.00 175.35 176.68 2jot s PHE 42 N -2.56 -0.41 0.02 4.03 0.08 -0.28 -4.95 117.98 113.91 2jot s PHE 42 Ca 0.62 0.97 -0.26 0.00 0.12 0.00 0.00 56.93 58.38 2jot s PHE 42 Cb -0.14 0.37 -0.17 0.00 -0.57 0.00 0.00 43.02 42.52 2jot s PHE 42 CO 0.37 -0.20 1.30 -1.35 -0.10 0.00 0.00 175.22 175.23 2jot h PRO 43 N 4.31 -0.41 -6.29 0.24 0.11 -1.96 0.17 132.00 128.18 2jot h PRO 43 Ca -0.28 0.03 -0.59 0.00 0.11 0.00 0.00 66.00 65.27 2jot h PRO 43 Cb 1.18 0.09 -0.10 0.00 0.11 0.00 0.00 31.00 32.29 2jot h PRO 43 CO 0.13 -0.11 -0.64 0.95 -0.21 0.00 0.00 178.00 178.13 2jot s THR 44 N -4.86 3.80 0.21 -1.15 -4.23 -1.26 -3.58 115.64 104.57 2jot s THR 44 Ca -0.14 -1.47 0.22 0.00 -1.18 0.00 0.00 61.69 59.11 2jot s THR 44 Cb 0.02 -2.95 0.20 0.00 1.34 0.00 0.00 72.50 71.11 2jot s THR 44 CO 0.56 -0.17 1.83 -0.61 -0.54 0.00 0.00 174.62 175.69 2jot h GLN 45 N 2.44 0.00 -0.90 3.99 4.15 -1.93 -3.01 115.11 119.85 2jot h GLN 45 Ca -0.47 0.00 0.18 0.00 0.77 0.00 0.00 58.65 59.13 2jot h GLN 45 Cb 1.21 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.83 2jot h GLN 45 CO 0.59 0.27 0.59 1.49 -1.93 0.00 0.00 178.83 179.84 2jot h GLU 46 N 0.00 0.52 0.10 1.69 4.81 -1.99 0.28 114.58 119.99 2jot h GLU 46 Ca -0.00 -0.03 -0.28 0.00 -0.13 0.00 0.00 59.36 58.92 2jot h GLU 46 Cb 0.73 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 2jot h GLU 46 CO 0.04 0.34 -1.34 0.00 -0.73 0.00 0.00 179.01 177.32 2jot h ALA 47 N 1.61 0.23 -0.40 2.92 0.00 -1.94 -2.50 119.26 119.18 2jot h ALA 47 Ca 0.47 -1.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.30 2jot h ALA 47 Cb 0.98 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 2jot h ALA 47 CO -0.21 1.10 -0.08 0.00 0.00 0.00 0.00 179.25 180.07 2jot h MET 49 N 0.63 0.17 0.00 0.00 2.07 -0.63 -2.93 114.93 114.23 2jot h MET 49 Ca 0.12 -0.28 0.00 0.00 -2.07 0.00 0.00 59.70 57.46 2jot h MET 49 Cb 0.51 0.11 0.00 0.00 -1.87 0.00 0.00 31.60 30.34 2jot h MET 49 CO 0.03 1.09 0.00 -0.22 1.07 0.00 0.00 176.91 178.88 2jot h LYS 50 N 0.05 0.00 0.01 1.72 3.64 -1.27 1.21 116.57 121.92 2jot h LYS 50 Ca -0.12 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 58.92 2jot h LYS 50 Cb 1.92 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.68 2jot h LYS 50 CO 0.17 0.00 -2.10 0.54 -2.27 0.00 0.00 179.45 175.79 2jot n ARG 51 N -2.34 0.67 0.00 1.90 5.12 -0.40 -3.55 116.66 118.06 2jot n ARG 51 Ca 0.04 0.14 0.00 0.00 -1.93 0.00 0.00 57.85 56.10 2jot n ARG 51 Cb 0.38 -1.64 0.00 0.00 -1.16 0.00 0.00 32.46 30.03 2jot n ARG 51 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2jot h ALA 53 N 0.00 0.65 0.00 0.00 0.00 0.60 -3.36 119.26 117.15 2jot h ALA 53 Ca 0.00 -0.59 -0.30 0.00 0.00 0.00 0.00 54.91 54.02 2jot h ALA 53 Cb 0.84 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 2jot h ALA 53 CO 0.00 0.68 -2.14 1.17 0.00 0.00 0.00 179.25 178.96 2jot n LYS 54 N -2.98 1.25 0.00 0.00 4.81 0.34 -4.93 118.16 116.65 2jot n LYS 54 Ca -0.04 -0.00 0.15 0.00 -0.87 0.00 0.00 58.31 57.55 2jot n LYS 54 Cb 0.76 -1.43 0.81 0.00 0.02 0.00 0.00 35.03 35.20 2jot n LYS 54 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57