#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jot h ASP 2 N 0.00 0.00 0.00 7.28 2.03 -2.01 -3.30 116.42 120.42 2jot h ASP 2 Ca 0.00 0.00 0.02 0.00 -0.73 0.00 0.00 57.03 56.32 2jot h ASP 2 Cb 0.00 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.48 2jot h ASP 2 CO 0.00 0.87 -0.09 0.74 -1.03 0.00 0.00 179.24 179.73 2jot h THR 3 N 0.00 0.77 0.00 1.15 2.02 -1.93 -0.14 112.91 114.78 2jot h THR 3 Ca -0.12 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.06 2jot h THR 3 Cb 1.77 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 68.95 2jot h THR 3 CO 0.09 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.98 2jot h ARG 5 N 0.00 0.00 -5.56 0.00 3.08 -1.28 -3.42 114.38 107.21 2jot h ARG 5 Ca 0.00 -0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 2jot h ARG 5 Cb 0.29 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.24 2jot h ARG 5 CO 0.00 0.51 -0.24 -0.48 -1.07 0.00 0.00 179.97 178.69 2jot s LEU 6 N -6.11 4.23 0.71 3.04 0.05 -0.20 -5.02 118.68 115.38 2jot s LEU 6 Ca -0.05 0.61 -0.11 0.00 0.05 0.00 0.00 54.13 54.63 2jot s LEU 6 Cb 0.08 -2.51 0.02 0.00 -2.05 0.00 0.00 46.19 41.73 2jot s LEU 6 CO 0.82 0.03 1.07 -2.16 -0.55 0.00 0.00 176.35 175.56 2jot s PRO 7 N 0.71 2.82 0.54 1.48 0.04 -1.26 -4.55 135.00 134.77 2jot s PRO 7 Ca 0.20 0.74 0.04 0.00 0.04 0.00 0.00 61.00 62.02 2jot s PRO 7 Cb -0.14 -1.99 0.05 0.00 0.04 0.00 0.00 34.50 32.45 2jot s PRO 7 CO 0.07 -1.13 0.74 -1.12 0.04 0.00 0.00 177.00 175.60 2jot s SER 8 N -4.00 5.25 -0.18 6.66 0.01 -1.26 -4.87 113.70 115.31 2jot s SER 8 Ca 0.58 -0.28 -0.12 0.00 1.31 0.00 0.00 55.95 57.43 2jot s SER 8 Cb -0.13 -0.55 0.05 0.00 0.21 0.00 0.00 66.02 65.60 2jot s SER 8 CO 0.54 -1.15 0.45 -1.81 0.41 0.00 0.00 173.24 171.68 2jot s ASP 9 N -4.47 -0.53 0.00 2.44 1.01 0.11 -4.94 116.67 110.29 2jot s ASP 9 Ca 0.58 0.95 0.28 0.00 0.71 0.00 0.00 52.55 55.07 2jot s ASP 9 Cb -0.09 0.88 1.04 0.00 1.01 0.00 0.00 42.92 45.76 2jot s ASP 9 CO 0.38 -0.18 1.74 -2.11 0.21 0.00 0.00 175.17 175.20 2jot n ARG 10 N 3.70 1.67 0.00 8.23 1.85 -1.24 -1.68 116.66 129.19 2jot n ARG 10 Ca -0.19 -0.97 0.00 0.00 -1.00 0.00 0.00 57.85 55.69 2jot n ARG 10 Cb 0.56 -1.48 0.00 0.00 -1.05 0.00 0.00 32.46 30.49 2jot n ARG 10 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2jot n GLY 11 N 1.17 0.71 0.12 2.89 0.00 0.43 -3.16 105.19 107.35 2jot n GLY 11 Ca 0.19 -0.83 -0.24 0.00 0.00 0.00 0.00 46.02 45.14 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 0.00 0.58 0.00 1.61 0.00 -1.26 -4.86 116.66 112.74 2jot n ARG 12 Ca 0.00 0.46 0.00 0.00 -0.00 0.00 0.00 57.85 58.31 2jot n ARG 12 Cb 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 32.46 30.80 2jot n ARG 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2jot n LYS 14 N 0.00 0.00 -1.90 0.00 4.76 -1.26 -4.52 118.16 115.24 2jot n LYS 14 Ca 0.00 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.02 2jot n LYS 14 Cb 0.00 -0.46 -0.03 0.00 -1.84 0.00 0.00 35.03 32.71 2jot n LYS 14 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2jot s ALA 15 N 0.74 3.68 0.00 7.82 0.00 -1.22 -4.82 121.76 127.97 2jot s ALA 15 Ca 0.00 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.17 2jot s ALA 15 Cb 0.00 -3.71 0.01 0.00 0.00 0.00 0.00 23.12 19.41 2jot s ALA 15 CO 0.00 -1.16 0.80 -1.13 0.00 0.00 0.00 175.76 174.27 2jot n SER 16 N 5.82 -0.56 -3.68 0.00 3.41 -1.26 -4.90 113.62 112.45 2jot n SER 16 Ca 0.16 -1.60 -0.29 0.00 -0.26 0.00 0.00 58.87 56.88 2jot n SER 16 Cb 0.41 0.17 -0.15 0.00 -0.26 0.00 0.00 64.21 64.37 2jot n SER 16 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2jot s PHE 17 N 0.00 1.14 0.37 7.33 0.08 -1.13 -4.98 117.98 120.79 2jot s PHE 17 Ca 0.00 -1.26 -0.27 0.00 0.12 0.00 0.00 56.93 55.53 2jot s PHE 17 Cb 0.01 -1.30 -0.09 0.00 -0.57 0.00 0.00 43.02 41.06 2jot s PHE 17 CO -0.00 -0.79 1.20 -1.83 -0.10 0.00 0.00 175.22 173.70 2jot s GLU 18 N 1.82 4.19 0.31 0.44 -1.05 -1.26 0.13 118.70 123.27 2jot s GLU 18 Ca 0.07 1.93 -0.10 0.00 -0.15 0.00 0.00 54.97 56.72 2jot s GLU 18 Cb -0.17 -2.83 0.01 0.00 -0.44 0.00 0.00 34.13 30.70 2jot s GLU 18 CO -0.23 -0.23 0.55 1.03 0.95 0.00 0.00 175.26 177.32 2jot s ARG 19 N -2.07 1.82 0.10 -4.83 0.52 -0.58 -4.80 118.95 109.10 2jot s ARG 19 Ca 0.54 -1.45 0.04 0.00 -0.52 0.00 0.00 55.73 54.33 2jot s ARG 19 Cb -0.33 0.50 -0.04 0.00 0.52 0.00 0.00 34.95 35.60 2jot s ARG 19 CO 0.43 -0.78 0.05 -1.58 0.02 0.00 0.00 175.30 173.44 2jot s TRP 20 N -3.34 3.10 0.01 -0.53 0.52 0.31 -2.95 118.94 116.05 2jot s TRP 20 Ca 0.23 0.02 -0.08 0.00 0.02 0.00 0.00 56.10 56.30 2jot s TRP 20 Cb -0.02 -1.57 0.00 0.00 -1.15 0.00 0.00 33.47 30.74 2jot s TRP 20 CO 0.13 0.51 0.15 1.52 0.02 0.00 0.00 176.95 179.28 2jot s TYR 21 N -1.41 0.05 -0.30 -1.98 1.13 -1.14 0.15 117.35 113.85 2jot s TYR 21 Ca 0.28 -0.17 -0.26 0.00 -1.41 0.00 0.00 57.07 55.50 2jot s TYR 21 Cb -0.12 -0.05 0.01 0.00 -1.10 0.00 0.00 41.96 40.70 2jot s TYR 21 CO 0.21 -0.32 0.93 0.12 -2.51 0.00 0.00 175.55 173.98 2jot s PHE 22 N -1.68 3.21 -0.88 -3.49 2.19 -1.14 -0.74 117.98 115.44 2jot s PHE 22 Ca -0.12 1.07 -0.02 0.00 0.33 0.00 0.00 56.93 58.19 2jot s PHE 22 Cb -0.06 -3.39 0.22 0.00 -1.31 0.00 0.00 43.02 38.48 2jot s PHE 22 CO 0.00 -0.61 0.77 1.21 1.83 0.00 0.00 175.22 178.42 2jot s ASN 23 N 1.55 5.96 0.00 6.13 2.47 0.12 -4.81 114.94 126.37 2jot s ASN 23 Ca 0.39 -3.70 0.00 0.00 0.42 0.00 0.00 52.86 49.97 2jot s ASN 23 Cb -0.14 -1.90 0.00 0.00 -1.45 0.00 0.00 41.25 37.76 2jot s ASN 23 CO 0.12 -0.19 0.00 0.61 -3.72 0.00 0.00 177.10 173.93 2jot n GLY 24 N 2.36 2.36 0.00 1.21 0.00 -1.26 -3.22 105.19 106.64 2jot n GLY 24 Ca 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2jot n GLY 24 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2jot n ARG 25 N 0.00 2.94 -3.79 1.61 3.00 -1.26 -5.01 116.66 114.15 2jot n ARG 25 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.85 57.62 2jot n ARG 25 Cb 0.00 -0.92 -0.04 0.00 0.00 0.00 0.00 32.46 31.51 2jot n ARG 25 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 2jot s THR 26 N -1.80 2.30 0.71 5.15 -1.32 -1.20 -4.95 115.64 114.52 2jot s THR 26 Ca 0.00 -1.47 -0.03 0.00 -1.21 0.00 0.00 61.69 58.98 2jot s THR 26 Cb 0.00 -2.77 0.11 0.00 -1.51 0.00 0.00 72.50 68.33 2jot s THR 26 CO 0.00 0.00 0.99 0.00 -2.21 0.00 0.00 174.62 173.40 2jot s ALA 28 N -3.16 0.51 -0.04 0.00 0.00 0.08 -4.67 121.76 114.47 2jot s ALA 28 Ca 0.64 -1.36 -0.03 0.00 0.00 0.00 0.00 51.96 51.22 2jot s ALA 28 Cb -0.07 1.13 0.02 0.00 0.00 0.00 0.00 23.12 24.19 2jot s ALA 28 CO 0.44 -0.80 0.09 0.15 0.00 0.00 0.00 175.76 175.64 2jot s LYS 29 N -3.29 0.09 0.20 0.00 1.02 -1.26 -2.90 119.74 113.60 2jot s LYS 29 Ca 0.29 0.17 -0.22 0.00 0.02 0.00 0.00 55.97 56.22 2jot s LYS 29 Cb -0.00 -0.01 0.07 0.00 -0.52 0.00 0.00 37.83 37.36 2jot s LYS 29 CO 0.17 -0.05 0.97 -0.59 -0.92 0.00 0.00 175.35 174.93 2jot s PHE 30 N 0.33 -0.00 -0.45 3.18 -0.71 -1.15 -5.02 117.98 114.15 2jot s PHE 30 Ca -0.02 -0.40 -0.20 0.00 -1.04 0.00 0.00 56.93 55.26 2jot s PHE 30 Cb -0.04 0.70 0.03 0.00 -1.21 0.00 0.00 43.02 42.50 2jot s PHE 30 CO -0.01 -0.98 0.63 -1.50 -1.34 0.00 0.00 175.22 172.02 2jot s ILE 31 N -2.64 4.84 -0.23 -4.49 2.07 -1.26 -1.53 121.20 117.97 2jot s ILE 31 Ca 0.17 -0.01 -0.20 0.00 -1.41 0.00 0.00 60.65 59.20 2jot s ILE 31 Cb -0.02 -4.21 -0.02 0.00 0.13 0.00 0.00 42.46 38.33 2jot s ILE 31 CO 0.05 -0.63 0.61 -0.47 -1.91 0.00 0.00 174.94 172.59 2jot s TYR 32 N 2.76 3.32 -0.11 3.50 5.04 0.34 -4.68 117.35 127.53 2jot s TYR 32 Ca 0.21 0.84 -0.10 0.00 -2.44 0.00 0.00 57.07 55.58 2jot s TYR 32 Cb -0.15 -2.80 -0.27 0.00 0.35 0.00 0.00 41.96 39.09 2jot s TYR 32 CO 0.17 -0.25 0.45 0.78 -1.34 0.00 0.00 175.55 175.36 2jot h GLY 33 N 8.59 0.32 0.00 8.97 0.00 -1.78 -2.99 103.07 116.19 2jot h GLY 33 Ca -0.29 -0.82 0.00 0.00 0.00 0.00 0.00 47.33 46.22 2jot h GLY 33 CO 0.77 0.72 0.00 0.61 0.00 0.00 0.00 176.54 178.63 2jot n GLY 34 N 1.90 0.79 3.31 4.60 0.00 -1.26 -4.78 105.19 109.75 2jot n GLY 34 Ca -0.30 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.36 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 4.82 1.02 3.88 0.00 0.00 -1.07 0.16 105.19 114.00 2jot n GLY 36 Ca -0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.00 1.67 0.00 -0.02 0.00 -0.68 0.07 107.32 107.36 2jot s GLY 37 Ca 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 44.72 43.15 2jot s GLY 37 CO 0.00 -1.51 0.00 1.16 0.00 0.00 0.00 173.10 172.75 2jot n ASN 38 N -1.39 0.00 0.00 1.64 0.23 -1.26 -4.96 115.26 109.52 2jot n ASN 38 Ca -0.03 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.02 2jot n ASN 38 Cb 0.59 0.18 0.00 0.00 -2.08 0.00 0.00 39.78 38.47 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 -1.18 0.54 0.10 4.83 0.00 -1.26 -4.70 105.19 103.52 2jot n GLY 39 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.54 1.61 -0.73 -1.80 -3.46 115.58 107.66 2jot h ASN 40 Ca 0.00 0.00 -0.52 0.00 1.87 0.00 0.00 56.30 57.65 2jot h ASN 40 Cb 0.04 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.60 2jot h ASN 40 CO 0.00 0.37 0.17 -1.59 -0.37 0.00 0.00 177.43 176.01 2jot s LYS 41 N -3.08 4.52 -0.04 6.67 -2.85 -1.26 -2.88 119.74 120.82 2jot s LYS 41 Ca -0.02 1.12 -0.02 0.00 -1.00 0.00 0.00 55.97 56.05 2jot s LYS 41 Cb 0.09 -3.18 0.02 0.00 -2.06 0.00 0.00 37.83 32.70 2jot s LYS 41 CO 0.80 0.53 0.08 -0.06 0.10 0.00 0.00 175.35 176.81 2jot s PHE 42 N -1.22 -0.08 0.11 1.78 0.08 0.40 -4.88 117.98 114.16 2jot s PHE 42 Ca 0.37 0.25 -0.31 0.00 0.12 0.00 0.00 56.93 57.37 2jot s PHE 42 Cb -0.22 -0.06 -0.11 0.00 -0.57 0.00 0.00 43.02 42.06 2jot s PHE 42 CO 0.25 -0.08 1.60 -1.35 -0.10 0.00 0.00 175.22 175.54 2jot h PRO 43 N 6.62 -0.66 -6.46 0.24 0.11 -1.93 0.89 132.00 130.80 2jot h PRO 43 Ca -0.34 0.04 -0.63 0.00 0.11 0.00 0.00 66.00 65.19 2jot h PRO 43 Cb 1.17 0.15 -0.15 0.00 0.11 0.00 0.00 31.00 32.28 2jot h PRO 43 CO 0.46 -0.44 -0.75 0.95 -0.21 0.00 0.00 178.00 178.01 2jot s THR 44 N -5.96 2.96 0.50 -1.15 -4.23 -1.26 -3.77 115.64 102.72 2jot s THR 44 Ca -0.16 -1.80 0.22 0.00 -1.18 0.00 0.00 61.69 58.76 2jot s THR 44 Cb 0.07 -2.46 0.28 0.00 1.34 0.00 0.00 72.50 71.72 2jot s THR 44 CO 0.63 -0.14 2.13 -0.61 -0.54 0.00 0.00 174.62 176.09 2jot h GLN 45 N 2.90 0.00 -0.99 3.99 4.15 -1.94 -2.33 115.11 120.88 2jot h GLN 45 Ca -0.46 0.00 0.17 0.00 0.77 0.00 0.00 58.65 59.13 2jot h GLN 45 Cb 1.21 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 28.81 2jot h GLN 45 CO 0.53 0.07 0.62 1.49 -1.93 0.00 0.00 178.83 179.61 2jot h GLU 46 N 0.00 0.76 -0.08 1.69 4.57 -1.98 0.89 114.58 120.44 2jot h GLU 46 Ca -0.00 -0.05 -0.19 0.00 -1.18 0.00 0.00 59.36 57.94 2jot h GLU 46 Cb 0.16 -0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 28.57 2jot h GLU 46 CO 0.01 0.51 -0.75 0.00 -1.18 0.00 0.00 179.01 177.60 2jot h ALA 47 N 1.61 0.57 0.29 2.92 0.00 -1.83 -2.89 119.26 119.92 2jot h ALA 47 Ca 0.54 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2jot h ALA 47 Cb 0.81 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 2jot h ALA 47 CO -0.32 0.76 -0.43 0.00 0.00 0.00 0.00 179.25 179.26 2jot h MET 49 N -0.78 0.26 0.00 0.00 2.07 -1.50 -1.07 114.93 113.91 2jot h MET 49 Ca -0.02 -0.02 0.00 0.00 -2.07 0.00 0.00 59.70 57.60 2jot h MET 49 Cb 0.74 -0.06 0.00 0.00 -1.87 0.00 0.00 31.60 30.41 2jot h MET 49 CO -0.15 0.18 0.00 1.17 1.07 0.00 0.00 176.91 179.18 2jot n LYS 50 N -4.97 0.17 0.11 1.72 4.81 -1.08 0.11 118.16 119.03 2jot n LYS 50 Ca -0.02 0.51 -0.05 0.00 -0.87 0.00 0.00 58.31 57.88 2jot n LYS 50 Cb 0.05 -1.90 -0.02 0.00 0.02 0.00 0.00 35.03 33.18 2jot n LYS 50 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 2jot h ARG 51 N 0.00 -0.31 0.00 1.64 1.12 0.11 -3.35 114.38 113.59 2jot h ARG 51 Ca 0.00 0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.89 2jot h ARG 51 Cb 0.21 0.07 0.00 0.00 -0.01 0.00 0.00 29.97 30.25 2jot h ARG 51 CO 0.00 -0.21 0.00 0.00 -3.11 0.00 0.00 179.97 176.65 2jot h ALA 53 N 0.00 0.65 0.00 0.00 0.00 0.62 -3.37 119.26 117.15 2jot h ALA 53 Ca 0.00 -0.75 -0.24 0.00 0.00 0.00 0.00 54.91 53.92 2jot h ALA 53 Cb 0.04 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 2jot h ALA 53 CO 0.00 0.86 -1.89 1.17 0.00 0.00 0.00 179.25 179.39 2jot n LYS 54 N -3.00 1.84 0.00 0.00 4.81 0.29 -4.92 118.16 117.17 2jot n LYS 54 Ca -0.06 -0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.50 2jot n LYS 54 Cb 0.82 -1.33 0.24 0.00 0.02 0.00 0.00 35.03 34.77 2jot n LYS 54 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57