#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 0.00 -0.02 9.51 9.92 -1.26 -4.97 116.55 129.73 2jot n ASP 2 Ca 0.00 0.00 -0.14 0.00 -0.53 0.00 0.00 54.79 54.12 2jot n ASP 2 Cb 0.00 0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 40.34 2jot n ASP 2 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 2jot n THR 3 N 0.00 1.66 0.23 -3.53 -1.04 -1.26 -3.97 114.28 106.37 2jot n THR 3 Ca 0.00 -0.74 0.10 0.00 -2.04 0.00 0.00 64.05 61.37 2jot n THR 3 Cb 0.00 -1.28 0.49 0.00 -1.82 0.00 0.00 70.33 67.72 2jot n THR 3 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jot n ARG 5 N -2.14 0.67 -2.70 0.00 5.12 -1.26 -4.62 116.66 111.73 2jot n ARG 5 Ca -0.00 0.11 -0.43 0.00 -1.93 0.00 0.00 57.85 55.60 2jot n ARG 5 Cb 0.10 -1.61 -0.03 0.00 -1.16 0.00 0.00 32.46 29.76 2jot n ARG 5 CO 0.00 0.00 0.00 -0.48 -1.93 0.00 0.00 177.63 175.22 2jot s LEU 6 N -5.82 3.97 0.79 0.55 0.05 -0.92 -4.82 118.68 112.48 2jot s LEU 6 Ca -0.11 0.96 -0.13 0.00 0.05 0.00 0.00 54.13 54.91 2jot s LEU 6 Cb 0.07 -3.45 0.07 0.00 -2.05 0.00 0.00 46.19 40.84 2jot s LEU 6 CO 0.81 -0.83 1.18 -2.84 -0.55 0.00 0.00 176.35 174.12 2jot s PRO 7 N 3.52 1.79 -0.07 1.48 0.02 -1.26 -4.55 135.00 135.92 2jot s PRO 7 Ca 0.43 1.65 0.00 0.00 0.02 0.00 0.00 61.00 63.10 2jot s PRO 7 Cb -0.13 -1.80 -0.03 0.00 0.02 0.00 0.00 34.50 32.56 2jot s PRO 7 CO 0.15 -2.08 -0.06 0.45 -0.33 0.00 0.00 177.00 175.13 2jot s SER 8 N -2.35 4.70 -0.10 2.53 0.15 -1.26 -4.90 113.70 112.46 2jot s SER 8 Ca 0.71 -0.01 -0.06 0.00 0.70 0.00 0.00 55.95 57.29 2jot s SER 8 Cb -0.26 -1.21 -0.04 0.00 -1.71 0.00 0.00 66.02 62.80 2jot s SER 8 CO 0.50 0.36 0.14 -1.81 1.20 0.00 0.00 173.24 173.63 2jot s ASP 9 N -0.79 6.34 0.00 5.45 1.11 -0.92 -4.80 116.67 123.06 2jot s ASP 9 Ca 0.12 0.44 0.28 0.00 0.18 0.00 0.00 52.55 53.57 2jot s ASP 9 Cb -0.11 -2.04 1.04 0.00 1.07 0.00 0.00 42.92 42.88 2jot s ASP 9 CO 0.02 0.39 1.74 -2.11 1.18 0.00 0.00 175.17 176.38 2jot n ARG 10 N 1.84 1.63 -0.36 8.23 1.85 -1.25 0.45 116.66 129.05 2jot n ARG 10 Ca -0.19 -0.95 0.05 0.00 -1.00 0.00 0.00 57.85 55.77 2jot n ARG 10 Cb 0.55 -1.48 -0.01 0.00 -1.05 0.00 0.00 32.46 30.46 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 1.18 -0.55 0.00 2.89 0.00 0.43 -1.80 105.19 107.34 2jot n GLY 11 Ca 0.19 -0.37 0.05 0.00 0.00 0.00 0.00 46.02 45.88 2jot n GLY 11 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2jot n ARG 12 N -1.47 1.92 0.00 1.61 1.85 -1.26 -4.60 116.66 114.71 2jot n ARG 12 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 57.85 56.80 2jot n ARG 12 Cb 0.16 -1.11 0.00 0.00 -1.05 0.00 0.00 32.46 30.46 2jot n ARG 12 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2jot n LYS 14 N 0.00 3.13 -1.55 0.00 3.00 -1.26 -5.00 118.16 116.49 2jot n LYS 14 Ca 0.00 -3.90 -0.28 0.00 -0.00 0.00 0.00 58.31 54.13 2jot n LYS 14 Cb 0.00 -2.27 -0.07 0.00 0.00 0.00 0.00 35.03 32.69 2jot n LYS 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2jot n ALA 15 N -0.64 0.60 -1.71 3.14 0.00 -1.23 -4.20 120.51 116.47 2jot n ALA 15 Ca 0.49 -1.03 -0.03 0.00 0.00 0.00 0.00 53.44 52.87 2jot n ALA 15 Cb 0.62 -3.10 -0.03 0.00 0.00 0.00 0.00 19.45 16.94 2jot n ALA 15 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2jot n SER 16 N 15.73 -0.43 -3.55 0.00 7.64 -1.25 -4.89 113.62 126.87 2jot n SER 16 Ca 0.45 -0.91 -0.19 0.00 1.01 0.00 0.00 58.87 59.23 2jot n SER 16 Cb 0.43 0.13 -0.14 0.00 -1.01 0.00 0.00 64.21 63.62 2jot n SER 16 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2jot s PHE 17 N 0.00 -0.18 0.15 1.43 0.40 -1.07 -4.98 117.98 113.74 2jot s PHE 17 Ca 0.00 0.21 -0.31 0.00 -0.60 0.00 0.00 56.93 56.24 2jot s PHE 17 Cb 0.00 -0.40 -0.08 0.00 0.51 0.00 0.00 43.02 43.05 2jot s PHE 17 CO 0.00 -0.52 1.35 -1.83 0.70 0.00 0.00 175.22 174.92 2jot s GLU 18 N 2.29 4.35 0.28 0.44 -1.05 -1.26 0.25 118.70 124.00 2jot s GLU 18 Ca 0.05 2.06 0.02 0.00 -0.15 0.00 0.00 54.97 56.95 2jot s GLU 18 Cb -0.15 -3.22 -0.03 0.00 -0.44 0.00 0.00 34.13 30.29 2jot s GLU 18 CO -0.10 -0.34 0.26 1.03 0.95 0.00 0.00 175.26 177.05 2jot s ARG 19 N 0.51 1.55 0.11 -4.83 0.52 0.12 -4.79 118.95 112.14 2jot s ARG 19 Ca 0.61 -1.79 0.08 0.00 -0.52 0.00 0.00 55.73 54.11 2jot s ARG 19 Cb -0.36 0.33 -0.04 0.00 0.52 0.00 0.00 34.95 35.39 2jot s ARG 19 CO 0.34 -0.57 -0.13 -1.58 0.02 0.00 0.00 175.30 173.39 2jot s TRP 20 N -3.71 2.66 0.08 -0.53 0.52 0.37 -2.35 118.94 115.99 2jot s TRP 20 Ca 0.38 -0.20 0.01 0.00 0.02 0.00 0.00 56.10 56.31 2jot s TRP 20 Cb 0.04 -1.39 -0.04 0.00 -1.15 0.00 0.00 33.47 30.92 2jot s TRP 20 CO 0.20 0.42 -0.06 1.52 0.02 0.00 0.00 176.95 179.04 2jot s TYR 21 N -1.22 0.77 -0.70 -1.98 1.13 -0.96 0.14 117.35 114.53 2jot s TYR 21 Ca 0.20 -0.85 -0.20 0.00 -1.41 0.00 0.00 57.07 54.81 2jot s TYR 21 Cb -0.11 -0.46 0.10 0.00 -1.10 0.00 0.00 41.96 40.39 2jot s TYR 21 CO 0.13 -0.18 0.91 0.12 -2.51 0.00 0.00 175.55 174.02 2jot s PHE 22 N -3.19 2.92 0.92 -3.49 5.36 -1.11 -1.70 117.98 117.69 2jot s PHE 22 Ca 0.06 -0.92 -0.13 0.00 -0.96 0.00 0.00 56.93 54.98 2jot s PHE 22 Cb 0.02 -4.18 0.15 0.00 -0.34 0.00 0.00 43.02 38.67 2jot s PHE 22 CO -0.05 -1.48 1.14 1.21 -1.46 0.00 0.00 175.22 174.59 2jot s ASN 23 N 3.60 3.39 0.08 6.13 3.84 0.26 -4.65 114.94 127.58 2jot s ASN 23 Ca 0.21 0.94 0.12 0.00 0.21 0.00 0.00 52.86 54.34 2jot s ASN 23 Cb -0.16 -1.50 0.53 0.00 -0.55 0.00 0.00 41.25 39.57 2jot s ASN 23 CO 0.04 -2.63 1.36 0.61 -2.79 0.00 0.00 177.10 173.70 2jot n GLY 24 N -2.17 -0.85 0.00 1.21 0.00 -1.26 -3.24 105.19 98.87 2jot n GLY 24 Ca 0.07 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.70 0.00 0.00 1.61 0.00 -1.26 -5.13 116.66 110.17 2jot n ARG 25 Ca 0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 57.85 57.86 2jot n ARG 25 Cb 0.10 -0.49 0.00 0.00 -0.00 0.00 0.00 32.46 32.07 2jot n ARG 25 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 2jot n THR 26 N 0.00 0.00 -3.02 8.89 5.66 -1.20 -5.11 114.28 119.50 2jot n THR 26 Ca 0.00 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.57 2jot n THR 26 Cb 0.25 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.98 2jot n THR 26 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2jot s ALA 28 N 3.14 3.48 0.01 0.00 0.00 -0.69 -4.86 121.76 122.84 2jot s ALA 28 Ca 0.26 -1.60 0.01 0.00 0.00 0.00 0.00 51.96 50.63 2jot s ALA 28 Cb -0.14 -2.15 -0.01 0.00 0.00 0.00 0.00 23.12 20.83 2jot s ALA 28 CO 0.20 -1.56 -0.04 0.21 0.00 0.00 0.00 175.76 174.58 2jot s LYS 29 N -5.24 0.29 0.27 0.00 2.20 -1.26 -2.27 119.74 113.74 2jot s LYS 29 Ca 0.67 -0.33 -0.20 0.00 -0.36 0.00 0.00 55.97 55.75 2jot s LYS 29 Cb -0.06 -0.16 0.06 0.00 -1.51 0.00 0.00 37.83 36.16 2jot s LYS 29 CO 0.45 0.03 0.89 -0.59 -0.36 0.00 0.00 175.35 175.77 2jot s PHE 30 N -0.60 0.02 -0.54 4.03 -0.12 -0.99 -5.01 117.98 114.77 2jot s PHE 30 Ca -0.05 -0.53 -0.22 0.00 -0.05 0.00 0.00 56.93 56.09 2jot s PHE 30 Cb -0.05 0.75 0.05 0.00 -0.63 0.00 0.00 43.02 43.14 2jot s PHE 30 CO -0.00 -1.20 0.82 0.42 -0.05 0.00 0.00 175.22 175.20 2jot s ILE 31 N -2.63 4.57 -0.20 -4.49 1.09 -1.26 -0.70 121.20 117.59 2jot s ILE 31 Ca 0.16 -0.03 -0.21 0.00 -1.10 0.00 0.00 60.65 59.48 2jot s ILE 31 Cb -0.04 -4.45 -0.03 0.00 -1.06 0.00 0.00 42.46 36.89 2jot s ILE 31 CO 0.07 -1.00 0.62 -0.47 -0.10 0.00 0.00 174.94 174.06 2jot s TYR 32 N 3.44 3.37 -0.06 3.97 5.04 0.69 -4.68 117.35 129.13 2jot s TYR 32 Ca 0.24 0.91 0.06 0.00 -2.44 0.00 0.00 57.07 55.84 2jot s TYR 32 Cb -0.15 -2.78 -0.24 0.00 0.35 0.00 0.00 41.96 39.13 2jot s TYR 32 CO 0.16 -0.17 0.59 0.78 -1.34 0.00 0.00 175.55 175.58 2jot h GLY 33 N 8.16 0.11 0.00 8.97 0.00 -1.52 -2.83 103.07 115.96 2jot h GLY 33 Ca -0.32 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 46.73 2jot h GLY 33 CO 0.77 0.25 0.00 0.61 0.00 0.00 0.00 176.54 178.17 2jot n GLY 34 N 1.70 1.26 3.57 4.60 0.00 -1.25 -4.03 105.19 111.04 2jot n GLY 34 Ca -0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 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 2.28 1.35 0.00 0.00 0.00 -1.21 0.16 105.19 107.77 2jot n GLY 36 Ca -0.18 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.47 2jot n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jot n GLY 37 N 0.00 0.29 0.28 -0.02 0.00 0.17 -2.17 105.19 103.74 2jot n GLY 37 Ca 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.23 2jot n GLY 37 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2jot n ASN 38 N -0.10 0.00 0.00 1.61 0.23 -1.26 -4.80 115.26 110.93 2jot n ASN 38 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 2jot n ASN 38 Cb 0.00 0.07 0.00 0.00 -2.08 0.00 0.00 39.78 37.77 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 -0.96 0.01 0.11 4.83 0.00 -1.26 -4.72 105.19 103.19 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 -4.09 1.61 -0.73 -1.80 -3.46 115.58 107.11 2jot h ASN 40 Ca 0.00 0.00 -0.46 0.00 1.87 0.00 0.00 56.30 57.71 2jot h ASN 40 Cb 0.16 0.00 0.02 0.00 0.27 0.00 0.00 38.32 38.77 2jot h ASN 40 CO 0.00 0.15 0.37 -1.59 -0.37 0.00 0.00 177.43 175.99 2jot s LYS 41 N -3.25 3.88 -0.11 6.67 -2.85 -1.26 -2.73 119.74 120.09 2jot s LYS 41 Ca -0.01 1.25 -0.21 0.00 -1.00 0.00 0.00 55.97 56.00 2jot s LYS 41 Cb 0.09 -2.12 0.05 0.00 -2.06 0.00 0.00 37.83 33.80 2jot s LYS 41 CO 0.79 -0.34 0.51 -0.06 0.10 0.00 0.00 175.35 176.35 2jot s PHE 42 N -2.13 -0.50 0.11 1.78 0.08 0.36 -4.95 117.98 112.74 2jot s PHE 42 Ca 0.65 1.03 -0.19 0.00 0.12 0.00 0.00 56.93 58.54 2jot s PHE 42 Cb -0.14 0.23 -0.07 0.00 -0.57 0.00 0.00 43.02 42.48 2jot s PHE 42 CO 0.21 -0.40 1.72 -1.35 -0.10 0.00 0.00 175.22 175.30 2jot h PRO 43 N 4.28 0.31 -5.44 0.24 0.11 -1.93 1.07 132.00 130.65 2jot h PRO 43 Ca -0.28 -0.03 -0.44 0.00 0.11 0.00 0.00 66.00 65.36 2jot h PRO 43 Cb 1.16 -0.06 -0.14 0.00 0.11 0.00 0.00 31.00 32.07 2jot h PRO 43 CO 0.29 0.27 -0.71 0.95 -0.21 0.00 0.00 178.00 178.60 2jot s THR 44 N -5.92 1.57 0.32 -1.15 -4.23 -1.26 -3.99 115.64 100.98 2jot s THR 44 Ca -0.13 -2.15 0.10 0.00 -1.18 0.00 0.00 61.69 58.33 2jot s THR 44 Cb 0.08 -2.16 0.05 0.00 1.34 0.00 0.00 72.50 71.81 2jot s THR 44 CO 0.70 -0.51 1.74 -0.61 -0.54 0.00 0.00 174.62 175.40 2jot h GLN 45 N 2.50 0.07 0.00 3.99 4.15 -1.93 -2.54 115.11 121.35 2jot h GLN 45 Ca -0.38 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.00 2jot h GLN 45 Cb 1.22 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.91 2jot h GLN 45 CO 0.64 0.50 0.00 1.49 -1.93 0.00 0.00 178.83 179.53 2jot h GLU 46 N 0.06 0.00 0.07 1.69 4.81 -1.99 -2.24 114.58 116.97 2jot h GLU 46 Ca 0.00 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.90 2jot h GLU 46 Cb 0.81 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.16 2jot h GLU 46 CO 0.06 0.00 -1.85 0.00 -0.73 0.00 0.00 179.01 176.49 2jot h ALA 47 N 2.06 0.58 -0.04 2.92 0.00 -1.87 -2.75 119.26 120.16 2jot h ALA 47 Ca 0.00 -1.42 -0.13 0.00 0.00 0.00 0.00 54.91 53.36 2jot h ALA 47 Cb 0.16 0.60 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2jot h ALA 47 CO 0.00 1.43 -0.58 0.00 0.00 0.00 0.00 179.25 180.10 2jot h MET 49 N 0.09 0.09 0.00 0.00 2.07 -1.59 -2.88 114.93 112.72 2jot h MET 49 Ca -0.00 -0.16 0.00 0.00 -2.07 0.00 0.00 59.70 57.46 2jot h MET 49 Cb 1.05 0.06 0.00 0.00 -1.87 0.00 0.00 31.60 30.84 2jot h MET 49 CO 0.08 0.76 0.00 -0.22 1.07 0.00 0.00 176.91 178.61 2jot h LYS 50 N 0.03 0.00 0.00 1.72 3.64 -1.51 0.95 116.57 121.40 2jot h LYS 50 Ca -0.31 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 58.77 2jot h LYS 50 Cb 2.01 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.77 2jot h LYS 50 CO 0.09 0.00 -2.13 -2.13 -2.27 0.00 0.00 179.45 173.01 2jot n ARG 51 N -2.60 1.27 -0.10 1.90 0.63 -1.05 -3.71 116.66 113.00 2jot n ARG 51 Ca 0.02 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.82 2jot n ARG 51 Cb 0.29 -1.42 -0.10 0.00 0.45 0.00 0.00 32.46 31.67 2jot n ARG 51 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2jot h ALA 53 N 0.20 0.56 0.00 0.00 0.00 0.65 -3.39 119.26 117.28 2jot h ALA 53 Ca -0.46 -1.14 0.00 0.00 0.00 0.00 0.00 54.91 53.32 2jot h ALA 53 Cb 1.79 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.73 2jot h ALA 53 CO -0.05 1.36 -0.28 -0.22 0.00 0.00 0.00 179.25 180.07 2jot h LYS 54 N 0.00 0.00 -0.02 0.00 3.11 -1.07 -3.48 116.57 115.11 2jot h LYS 54 Ca -0.14 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.70 2jot h LYS 54 Cb 1.85 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 33.08 2jot h LYS 54 CO 0.10 0.00 0.00 0.00 -2.81 0.00 0.00 179.45 176.74