#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 0.33 9.51 5.19 -2.02 -3.27 116.42 126.16 2jot h ASP 2 Ca 0.00 0.00 -0.33 0.00 -0.62 0.00 0.00 57.03 56.08 2jot h ASP 2 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2jot h ASP 2 CO 0.00 0.53 -1.62 0.74 -3.12 0.00 0.00 179.24 175.77 2jot h THR 3 N 0.00 1.07 0.00 0.35 2.02 -1.93 -2.81 112.91 111.60 2jot h THR 3 Ca -0.08 -2.67 0.00 0.00 0.77 0.00 0.00 66.41 64.43 2jot h THR 3 Cb 1.48 2.77 0.00 0.00 -1.74 0.00 0.00 68.15 70.67 2jot h THR 3 CO 0.05 0.83 0.00 0.00 0.37 0.00 0.00 175.52 176.78 2jot n ARG 5 N -1.33 3.32 -2.80 0.00 -4.01 -1.23 -4.07 116.66 106.54 2jot n ARG 5 Ca 0.08 -0.02 -0.39 0.00 -1.04 0.00 0.00 57.85 56.48 2jot n ARG 5 Cb 0.16 -0.91 -0.06 0.00 -3.04 0.00 0.00 32.46 28.61 2jot n ARG 5 CO 0.00 0.00 0.00 -0.48 -3.04 0.00 0.00 177.63 174.11 2jot s LEU 6 N -2.68 4.56 -0.09 2.89 0.05 -1.06 -4.66 118.68 117.68 2jot s LEU 6 Ca 0.01 1.86 -0.29 0.00 0.05 0.00 0.00 54.13 55.76 2jot s LEU 6 Cb 0.04 -3.66 -0.02 0.00 -2.05 0.00 0.00 46.19 40.51 2jot s LEU 6 CO 0.24 0.11 0.98 -2.16 -0.55 0.00 0.00 176.35 174.97 2jot s PRO 7 N -1.40 4.43 0.15 1.48 0.04 -1.26 -4.75 135.00 133.69 2jot s PRO 7 Ca 0.42 1.34 -0.10 0.00 0.04 0.00 0.00 61.00 62.70 2jot s PRO 7 Cb -0.24 -3.53 -0.06 0.00 0.04 0.00 0.00 34.50 30.71 2jot s PRO 7 CO 0.29 -0.26 0.48 -1.12 0.04 0.00 0.00 177.00 176.43 2jot s SER 8 N 1.08 6.67 0.24 6.66 0.01 -1.26 -5.05 113.70 122.05 2jot s SER 8 Ca 0.48 0.88 -0.11 0.00 1.31 0.00 0.00 55.95 58.51 2jot s SER 8 Cb -0.18 -2.21 -0.07 0.00 0.21 0.00 0.00 66.02 63.76 2jot s SER 8 CO 0.19 0.06 0.58 -1.81 0.41 0.00 0.00 173.24 172.67 2jot s ASP 9 N -2.02 6.66 0.19 2.44 1.11 -0.07 -5.00 116.67 119.98 2jot s ASP 9 Ca 0.40 0.99 0.22 0.00 0.18 0.00 0.00 52.55 54.33 2jot s ASP 9 Cb -0.13 -2.25 -0.02 0.00 1.07 0.00 0.00 42.92 41.59 2jot s ASP 9 CO 0.20 -0.09 1.02 0.54 1.18 0.00 0.00 175.17 178.02 2jot n ARG 10 N -0.14 0.61 -2.36 8.23 1.74 -1.25 -3.96 116.66 119.52 2jot n ARG 10 Ca 0.01 0.13 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 2jot n ARG 10 Cb 0.52 -1.82 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 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 1.20 -5.90 0.00 -0.13 0.00 0.20 0.11 105.19 100.66 2jot n GLY 11 Ca -0.01 0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.21 2jot n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jot n ARG 12 N 1.86 0.52 0.00 1.61 1.74 -1.26 -2.77 116.66 118.35 2jot n ARG 12 Ca 0.00 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 2jot n ARG 12 Cb 0.00 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.94 2jot n ARG 12 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2jot n LYS 14 N -1.79 2.99 -1.53 0.00 4.01 -1.26 -5.00 118.16 115.59 2jot n LYS 14 Ca 0.00 -3.66 -0.27 0.00 -0.51 0.00 0.00 58.31 53.87 2jot n LYS 14 Cb 0.00 -2.23 -0.13 0.00 -0.51 0.00 0.00 35.03 32.16 2jot n LYS 14 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2jot n ALA 15 N -0.86 0.66 -1.95 7.82 0.00 -1.23 -4.17 120.51 120.79 2jot n ALA 15 Ca 0.51 -0.87 -0.03 0.00 0.00 0.00 0.00 53.44 53.05 2jot n ALA 15 Cb 0.87 -2.76 -0.01 0.00 0.00 0.00 0.00 19.45 17.55 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 12.18 -0.54 -3.65 0.00 7.64 -1.25 -4.87 113.62 123.12 2jot n SER 16 Ca 0.56 -1.13 -0.05 0.00 1.01 0.00 0.00 58.87 59.26 2jot n SER 16 Cb 0.27 0.19 -0.07 0.00 -1.01 0.00 0.00 64.21 63.59 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 0.02 -1.06 0.37 1.43 0.08 -1.00 -5.01 117.98 112.81 2jot s PHE 17 Ca 0.01 1.91 -0.26 0.00 0.12 0.00 0.00 56.93 58.72 2jot s PHE 17 Cb 0.06 0.55 -0.09 0.00 -0.57 0.00 0.00 43.02 42.96 2jot s PHE 17 CO -0.02 -0.57 1.06 -1.83 -0.10 0.00 0.00 175.22 173.77 2jot s GLU 18 N 2.69 4.30 0.13 0.44 -1.05 -1.26 0.12 118.70 124.07 2jot s GLU 18 Ca -0.04 1.59 -0.10 0.00 -0.15 0.00 0.00 54.97 56.27 2jot s GLU 18 Cb -0.12 -2.72 0.00 0.00 -0.44 0.00 0.00 34.13 30.85 2jot s GLU 18 CO -0.16 -0.04 0.27 1.03 0.95 0.00 0.00 175.26 177.31 2jot s ARG 19 N -2.20 1.03 0.01 -4.83 0.52 -0.99 -4.81 118.95 107.69 2jot s ARG 19 Ca 0.54 -1.02 0.00 0.00 -0.52 0.00 0.00 55.73 54.73 2jot s ARG 19 Cb -0.25 0.38 -0.04 0.00 0.52 0.00 0.00 34.95 35.56 2jot s ARG 19 CO 0.31 -0.36 0.08 -1.58 0.02 0.00 0.00 175.30 173.77 2jot s TRP 20 N -3.90 3.27 0.03 -0.53 0.52 0.31 -2.93 118.94 115.71 2jot s TRP 20 Ca 0.10 0.18 -0.02 0.00 0.02 0.00 0.00 56.10 56.39 2jot s TRP 20 Cb 0.04 -1.72 -0.02 0.00 -1.15 0.00 0.00 33.47 30.62 2jot s TRP 20 CO -0.06 0.55 0.01 1.52 0.02 0.00 0.00 176.95 178.98 2jot s TYR 21 N -1.24 0.30 -0.26 -1.98 1.13 -1.11 0.15 117.35 114.34 2jot s TYR 21 Ca 0.25 -0.63 -0.21 0.00 -1.41 0.00 0.00 57.07 55.07 2jot s TYR 21 Cb -0.12 -0.22 -0.02 0.00 -1.10 0.00 0.00 41.96 40.50 2jot s TYR 21 CO 0.16 -0.28 0.66 0.12 -2.51 0.00 0.00 175.55 173.71 2jot s PHE 22 N -2.27 3.28 -0.50 -3.49 2.19 -1.13 -0.96 117.98 115.11 2jot s PHE 22 Ca -0.08 0.84 0.04 0.00 0.33 0.00 0.00 56.93 58.06 2jot s PHE 22 Cb -0.04 -2.90 0.13 0.00 -1.31 0.00 0.00 43.02 38.90 2jot s PHE 22 CO -0.04 -0.36 0.24 0.54 1.83 0.00 0.00 175.22 177.44 2jot s ASN 23 N 1.47 4.27 0.00 6.13 4.22 0.28 -4.57 114.94 126.74 2jot s ASN 23 Ca 0.28 -2.91 0.00 0.00 -2.14 0.00 0.00 52.86 48.09 2jot s ASN 23 Cb -0.15 -1.57 0.00 0.00 1.28 0.00 0.00 41.25 40.81 2jot s ASN 23 CO 0.09 -0.25 0.00 0.61 -2.04 0.00 0.00 177.10 175.51 2jot n GLY 24 N 3.24 2.25 0.00 0.45 0.00 -1.26 -3.25 105.19 106.62 2jot n GLY 24 Ca 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 2.68 -4.08 1.61 0.00 -1.26 -4.81 116.66 110.80 2jot n ARG 25 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.85 57.59 2jot n ARG 25 Cb 0.00 -0.75 -0.05 0.00 -0.00 0.00 0.00 32.46 31.66 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 -1.16 1.99 0.61 8.89 -1.32 -1.20 -5.10 115.64 118.35 2jot s THR 26 Ca 0.00 -1.64 0.03 0.00 -1.21 0.00 0.00 61.69 58.88 2jot s THR 26 Cb 0.00 -2.63 0.08 0.00 -1.51 0.00 0.00 72.50 68.44 2jot s THR 26 CO 0.00 0.00 0.84 0.00 -2.21 0.00 0.00 174.62 173.25 2jot s ALA 28 N -2.84 0.53 -0.02 0.00 0.00 -0.13 -4.77 121.76 114.52 2jot s ALA 28 Ca 0.62 -1.37 -0.01 0.00 0.00 0.00 0.00 51.96 51.19 2jot s ALA 28 Cb -0.07 1.12 0.01 0.00 0.00 0.00 0.00 23.12 24.18 2jot s ALA 28 CO 0.40 -0.81 0.05 -1.59 0.00 0.00 0.00 175.76 173.82 2jot s LYS 29 N -3.21 0.04 0.33 0.00 -2.85 -1.26 -2.74 119.74 110.06 2jot s LYS 29 Ca 0.29 0.12 -0.12 0.00 -1.00 0.00 0.00 55.97 55.26 2jot s LYS 29 Cb -0.00 -0.04 0.02 0.00 -2.06 0.00 0.00 37.83 35.75 2jot s LYS 29 CO 0.18 -0.05 0.62 -0.59 0.10 0.00 0.00 175.35 175.61 2jot s PHE 30 N 0.32 0.42 -0.76 1.78 -0.12 -1.15 -5.01 117.98 113.46 2jot s PHE 30 Ca -0.02 -0.87 -0.21 0.00 -0.05 0.00 0.00 56.93 55.78 2jot s PHE 30 Cb -0.04 0.41 0.10 0.00 -0.63 0.00 0.00 43.02 42.87 2jot s PHE 30 CO -0.01 -1.28 0.99 0.42 -0.05 0.00 0.00 175.22 175.29 2jot s ILE 31 N -3.07 4.55 -0.27 -4.49 -1.09 -1.26 -2.35 121.20 113.22 2jot s ILE 31 Ca 0.21 -0.94 -0.21 0.00 -2.23 0.00 0.00 60.65 57.48 2jot s ILE 31 Cb -0.03 -4.70 -0.01 0.00 -1.58 0.00 0.00 42.46 36.14 2jot s ILE 31 CO 0.13 -1.43 0.66 -0.47 -1.23 0.00 0.00 174.94 172.59 2jot s TYR 32 N 3.32 3.26 -0.11 3.97 5.04 0.33 -4.75 117.35 128.40 2jot s TYR 32 Ca 0.25 0.79 -0.11 0.00 -2.44 0.00 0.00 57.07 55.56 2jot s TYR 32 Cb -0.13 -2.92 -0.26 0.00 0.35 0.00 0.00 41.96 38.99 2jot s TYR 32 CO 0.02 -0.39 0.44 0.78 -1.34 0.00 0.00 175.55 175.06 2jot h GLY 33 N 9.05 0.29 0.00 8.97 0.00 0.93 -2.65 103.07 119.66 2jot h GLY 33 Ca -0.26 -0.75 0.00 0.00 0.00 0.00 0.00 47.33 46.32 2jot h GLY 33 CO 0.80 0.66 0.00 0.61 0.00 0.00 0.00 176.54 178.60 2jot n GLY 34 N 1.86 0.26 3.20 4.60 0.00 -1.14 -4.00 105.19 109.98 2jot n GLY 34 Ca -0.29 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.34 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 4.78 0.61 3.00 0.00 0.00 -1.25 0.61 105.19 112.93 2jot n GLY 36 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.81 1.19 0.00 -0.02 0.00 -1.26 -0.89 107.32 105.52 2jot s GLY 37 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 44.72 43.67 2jot s GLY 37 CO 0.00 0.65 0.00 1.16 0.00 0.00 0.00 173.10 174.91 2jot n ASN 38 N 4.73 0.00 0.00 1.64 0.23 -1.26 -5.02 115.26 115.59 2jot n ASN 38 Ca -0.15 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.90 2jot n ASN 38 Cb 0.48 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.18 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 3.99 0.34 0.10 4.83 0.00 -1.26 -4.81 105.19 108.38 2jot n GLY 39 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2jot n GLY 39 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2jot n ASN 40 N -0.00 0.18 -4.78 1.61 2.85 -1.26 -4.70 115.26 109.16 2jot n ASN 40 Ca 0.00 0.05 -0.32 0.00 -0.11 0.00 0.00 54.58 54.20 2jot n ASN 40 Cb 0.19 0.81 0.06 0.00 1.24 0.00 0.00 39.78 42.08 2jot n ASN 40 CO 0.00 0.00 0.00 -1.59 -2.11 0.00 0.00 177.26 173.56 2jot s LYS 41 N -2.51 2.66 -0.10 1.20 0.00 -1.26 -2.85 119.74 116.88 2jot s LYS 41 Ca -0.10 1.24 -0.27 0.00 0.00 0.00 0.00 55.97 56.85 2jot s LYS 41 Cb 0.06 -1.94 0.06 0.00 0.00 0.00 0.00 37.83 36.01 2jot s LYS 41 CO 0.82 -1.34 0.62 -0.06 0.00 0.00 0.00 175.35 175.40 2jot s PHE 42 N -2.64 -0.61 -0.01 1.78 0.08 0.39 -4.92 117.98 112.06 2jot s PHE 42 Ca 0.63 1.17 -0.22 0.00 0.12 0.00 0.00 56.93 58.64 2jot s PHE 42 Cb -0.18 0.32 -0.22 0.00 -0.57 0.00 0.00 43.02 42.38 2jot s PHE 42 CO 0.48 -0.51 1.11 -1.00 -0.10 0.00 0.00 175.22 175.20 2jot h PRO 43 N 3.67 0.29 -5.56 0.24 0.13 -1.92 0.89 132.00 129.73 2jot h PRO 43 Ca -0.28 -0.28 -0.49 0.00 -0.87 0.00 0.00 66.00 64.08 2jot h PRO 43 Cb 1.15 0.07 -0.14 0.00 0.13 0.00 0.00 31.00 32.21 2jot h PRO 43 CO 0.31 0.96 -0.69 0.95 -0.23 0.00 0.00 178.00 179.30 2jot s THR 44 N -3.37 1.72 0.27 1.56 -4.23 -1.26 -4.18 115.64 106.15 2jot s THR 44 Ca -0.15 -2.16 0.13 0.00 -1.18 0.00 0.00 61.69 58.33 2jot s THR 44 Cb 0.03 -2.37 0.03 0.00 1.34 0.00 0.00 72.50 71.52 2jot s THR 44 CO 0.77 -0.36 1.68 0.06 -0.54 0.00 0.00 174.62 176.23 2jot h GLN 45 N 2.32 0.00 -0.86 3.99 -0.00 -1.95 -3.09 115.11 115.52 2jot h GLN 45 Ca -0.40 0.00 0.08 0.00 -0.00 0.00 0.00 58.65 58.34 2jot h GLN 45 Cb 1.23 0.00 -0.07 0.00 -0.00 0.00 0.00 27.48 28.64 2jot h GLN 45 CO 0.66 0.52 0.52 1.49 -0.00 0.00 0.00 178.83 182.02 2jot h GLU 46 N 0.00 0.87 0.00 0.06 4.81 -2.00 -0.43 114.58 117.88 2jot h GLU 46 Ca -0.01 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.07 2jot h GLU 46 Cb 0.97 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.14 2jot h GLU 46 CO 0.07 0.57 -0.51 0.00 -0.73 0.00 0.00 179.01 178.41 2jot h ALA 47 N 1.44 0.89 0.15 2.92 0.00 -1.93 -1.07 119.26 121.67 2jot h ALA 47 Ca 0.40 -0.46 0.01 0.00 0.00 0.00 0.00 54.91 54.86 2jot h ALA 47 Cb 0.30 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2jot h ALA 47 CO -0.22 0.63 -0.26 0.00 0.00 0.00 0.00 179.25 179.40 2jot h MET 49 N -0.49 0.00 0.00 0.00 2.86 -1.57 -3.05 114.93 112.69 2jot h MET 49 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2jot h MET 49 Cb 0.50 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.16 2jot h MET 49 CO -0.13 0.67 0.00 1.17 1.06 0.00 0.00 176.91 179.68 2jot n LYS 50 N -3.18 0.14 -0.11 1.72 3.00 -0.40 0.12 118.16 119.45 2jot n LYS 50 Ca -0.06 0.34 -0.15 0.00 -0.00 0.00 0.00 58.31 58.44 2jot n LYS 50 Cb 0.92 -1.74 -0.11 0.00 0.00 0.00 0.00 35.03 34.10 2jot n LYS 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2jot n ARG 51 N -2.00 0.62 -0.06 1.64 5.12 0.06 -3.16 116.66 118.89 2jot n ARG 51 Ca 0.03 0.12 -0.06 0.00 -1.93 0.00 0.00 57.85 56.01 2jot n ARG 51 Cb 0.24 -1.45 -0.09 0.00 -1.16 0.00 0.00 32.46 30.00 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 0.48 0.64 0.00 0.00 0.00 0.80 -3.41 119.26 117.78 2jot h ALA 53 Ca -0.31 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 53.83 2jot h ALA 53 Cb 1.66 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.60 2jot h ALA 53 CO 0.01 0.91 -0.86 1.63 0.00 0.00 0.00 179.25 180.94 2jot n LYS 54 N -3.05 0.46 0.00 0.00 4.76 0.32 -4.94 118.16 115.71 2jot n LYS 54 Ca -0.06 0.18 0.00 0.00 -2.87 0.00 0.00 58.31 55.56 2jot n LYS 54 Cb 0.83 -1.30 0.00 0.00 -1.84 0.00 0.00 35.03 32.73 2jot n LYS 54 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03