#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 -0.32 9.51 3.58 -2.01 -0.88 116.42 126.30 2jot h ASP 2 Ca 0.00 0.00 0.09 0.00 0.42 0.00 0.00 57.03 57.54 2jot h ASP 2 Cb 0.00 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 2jot h ASP 2 CO 0.00 0.00 0.24 0.74 -2.88 0.00 0.00 179.24 177.34 2jot h THR 3 N 0.00 0.78 0.00 2.25 2.02 -1.98 0.30 112.91 116.28 2jot h THR 3 Ca 0.06 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.24 2jot h THR 3 Cb 0.31 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 2jot h THR 3 CO -0.00 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.89 2jot n ARG 5 N -1.14 0.63 -2.57 0.00 5.12 0.10 -2.47 116.66 116.33 2jot n ARG 5 Ca 0.16 -0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.65 2jot n ARG 5 Cb 0.14 -1.70 -0.02 0.00 -1.16 0.00 0.00 32.46 29.72 2jot n ARG 5 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2jot s LEU 6 N -5.06 4.11 -0.85 0.55 1.43 -1.13 -4.96 118.68 112.76 2jot s LEU 6 Ca -0.04 1.47 -0.25 0.00 -1.03 0.00 0.00 54.13 54.28 2jot s LEU 6 Cb 0.11 -3.54 -0.00 0.00 0.03 0.00 0.00 46.19 42.79 2jot s LEU 6 CO 0.84 -0.72 1.69 -2.16 0.23 0.00 0.00 176.35 176.23 2jot s PRO 7 N 3.35 2.95 0.00 1.29 0.04 -1.26 -4.60 135.00 136.77 2jot s PRO 7 Ca 0.48 -0.34 -0.30 0.00 0.04 0.00 0.00 61.00 60.88 2jot s PRO 7 Cb -0.17 -4.88 -0.08 0.00 0.04 0.00 0.00 34.50 29.41 2jot s PRO 7 CO 0.10 -2.74 1.84 -1.12 0.04 0.00 0.00 177.00 175.12 2jot s SER 8 N 6.55 6.54 0.26 6.66 0.01 -1.26 -4.98 113.70 127.48 2jot s SER 8 Ca 0.58 2.50 -0.10 0.00 1.31 0.00 0.00 55.95 60.24 2jot s SER 8 Cb -0.06 -2.53 -0.07 0.00 0.21 0.00 0.00 66.02 63.56 2jot s SER 8 CO 0.03 -1.00 0.59 -1.81 0.41 0.00 0.00 173.24 171.46 2jot s ASP 9 N 3.98 6.62 0.14 2.44 1.11 0.21 -4.93 116.67 126.24 2jot s ASP 9 Ca 0.82 0.96 0.23 0.00 0.18 0.00 0.00 52.55 54.75 2jot s ASP 9 Cb -0.39 -2.24 0.13 0.00 1.07 0.00 0.00 42.92 41.48 2jot s ASP 9 CO 0.37 -0.12 1.13 -2.11 1.18 0.00 0.00 175.17 175.62 2jot n ARG 10 N -0.32 0.44 -1.41 8.23 1.85 -1.24 -3.00 116.66 121.20 2jot n ARG 10 Ca 0.01 0.08 0.13 0.00 -1.00 0.00 0.00 57.85 57.07 2jot n ARG 10 Cb 0.53 -1.73 -0.07 0.00 -1.05 0.00 0.00 32.46 30.14 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 1.27 -3.15 0.00 2.89 0.00 0.29 -1.75 105.19 104.74 2jot n GLY 11 Ca 0.01 -0.88 0.05 0.00 0.00 0.00 0.00 46.02 45.21 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 -3.93 3.00 0.00 1.61 1.74 -1.26 -4.25 116.66 113.56 2jot n ARG 12 Ca -0.07 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 2jot n ARG 12 Cb 0.59 -1.04 0.00 0.00 -1.02 0.00 0.00 32.46 30.99 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 -0.65 2.76 -1.47 0.00 4.01 -1.24 -5.02 118.16 116.56 2jot n LYS 14 Ca 0.00 -3.55 -0.54 0.00 -0.51 0.00 0.00 58.31 53.72 2jot n LYS 14 Cb 0.00 -2.16 -0.08 0.00 -0.51 0.00 0.00 35.03 32.28 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 -0.92 0.69 0.00 7.82 0.00 -1.22 -4.05 120.51 122.83 2jot n ALA 15 Ca 0.49 0.08 0.00 0.00 0.00 0.00 0.00 53.44 54.01 2jot n ALA 15 Cb 0.93 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.98 2jot n ALA 15 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jot n SER 16 N 8.54 0.00 -4.54 0.00 2.88 -1.26 -4.86 113.62 114.39 2jot n SER 16 Ca 0.40 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.54 2jot n SER 16 Cb 0.17 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.52 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 -0.58 3.23 0.30 0.66 0.08 -1.17 -4.88 117.98 115.62 2jot s PHE 17 Ca 0.00 -0.15 -0.29 0.00 0.12 0.00 0.00 56.93 56.61 2jot s PHE 17 Cb 0.00 -2.50 -0.10 0.00 -0.57 0.00 0.00 43.02 39.85 2jot s PHE 17 CO 0.00 -0.35 1.20 -1.21 -0.10 0.00 0.00 175.22 174.75 2jot s GLU 18 N 1.77 4.51 0.12 0.44 2.02 -1.26 0.81 118.70 127.11 2jot s GLU 18 Ca 0.07 2.00 0.01 0.00 0.02 0.00 0.00 54.97 57.06 2jot s GLU 18 Cb -0.17 -3.14 -0.04 0.00 0.10 0.00 0.00 34.13 30.88 2jot s GLU 18 CO 0.11 0.02 -0.01 1.03 0.02 0.00 0.00 175.26 176.43 2jot s ARG 19 N -1.56 0.91 0.06 1.61 3.00 -0.75 -4.79 118.95 117.41 2jot s ARG 19 Ca 0.47 -1.40 0.02 0.00 0.00 0.00 0.00 55.73 54.81 2jot s ARG 19 Cb -0.36 -0.05 -0.04 0.00 0.00 0.00 0.00 34.95 34.50 2jot s ARG 19 CO 0.46 -0.13 0.09 -1.58 0.00 0.00 0.00 175.30 174.15 2jot s TRP 20 N -3.78 3.24 -0.09 -0.53 0.52 0.30 -2.92 118.94 115.67 2jot s TRP 20 Ca 0.18 0.12 -0.04 0.00 0.02 0.00 0.00 56.10 56.37 2jot s TRP 20 Cb 0.06 -1.66 0.04 0.00 -1.15 0.00 0.00 33.47 30.77 2jot s TRP 20 CO -0.01 0.53 0.20 1.52 0.02 0.00 0.00 176.95 179.21 2jot s TYR 21 N -1.36 -0.26 -0.50 -1.98 1.13 -1.14 0.18 117.35 113.43 2jot s TYR 21 Ca 0.28 0.65 -0.25 0.00 -1.41 0.00 0.00 57.07 56.35 2jot s TYR 21 Cb -0.12 -0.01 0.03 0.00 -1.10 0.00 0.00 41.96 40.76 2jot s TYR 21 CO 0.21 -0.21 0.92 -0.59 -2.51 0.00 0.00 175.55 173.37 2jot s PHE 22 N 1.23 2.86 -0.88 -3.49 -0.12 -1.11 -1.18 117.98 115.30 2jot s PHE 22 Ca -0.09 0.17 -0.18 0.00 -0.05 0.00 0.00 56.93 56.78 2jot s PHE 22 Cb -0.11 -3.99 0.14 0.00 -0.63 0.00 0.00 43.02 38.43 2jot s PHE 22 CO -0.07 -1.21 1.03 1.21 -0.05 0.00 0.00 175.22 176.13 2jot s ASN 23 N 2.53 6.60 0.00 1.98 2.47 0.18 -4.66 114.94 124.04 2jot s ASN 23 Ca 0.33 -2.06 0.00 0.00 0.42 0.00 0.00 52.86 51.55 2jot s ASN 23 Cb -0.11 -2.36 0.00 0.00 -1.45 0.00 0.00 41.25 37.32 2jot s ASN 23 CO 0.23 -1.00 0.00 0.61 -3.72 0.00 0.00 177.10 173.21 2jot n GLY 24 N 5.22 1.51 0.00 1.21 0.00 -1.03 -3.21 105.19 108.89 2jot n GLY 24 Ca 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.78 1.61 0.00 -1.26 -4.92 116.66 109.30 2jot n ARG 25 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.85 57.63 2jot n ARG 25 Cb 0.00 -0.18 0.03 0.00 -0.00 0.00 0.00 32.46 32.31 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 -1.00 3.27 0.44 8.89 -1.32 -1.20 -4.52 115.64 120.20 2jot s THR 26 Ca 0.00 -0.57 0.08 0.00 -1.21 0.00 0.00 61.69 59.99 2jot s THR 26 Cb 0.00 -3.22 0.02 0.00 -1.51 0.00 0.00 72.50 67.79 2jot s THR 26 CO 0.00 -0.16 0.60 0.00 -2.21 0.00 0.00 174.62 172.85 2jot s ALA 28 N -2.40 -0.04 -0.07 0.00 0.00 -0.33 -4.78 121.76 114.15 2jot s ALA 28 Ca 0.56 -1.07 -0.06 0.00 0.00 0.00 0.00 51.96 51.38 2jot s ALA 28 Cb -0.09 0.96 0.02 0.00 0.00 0.00 0.00 23.12 24.01 2jot s ALA 28 CO 0.34 -0.88 0.19 0.15 0.00 0.00 0.00 175.76 175.55 2jot s LYS 29 N -3.05 0.22 0.33 0.00 -0.14 -1.26 -2.88 119.74 112.96 2jot s LYS 29 Ca 0.23 0.27 -0.18 0.00 -1.36 0.00 0.00 55.97 54.93 2jot s LYS 29 Cb -0.02 0.10 0.05 0.00 -1.68 0.00 0.00 37.83 36.27 2jot s LYS 29 CO 0.14 -0.03 0.80 -0.59 -0.76 0.00 0.00 175.35 174.91 2jot s PHE 30 N 0.13 0.03 -0.54 3.18 -0.12 -1.15 -5.01 117.98 114.50 2jot s PHE 30 Ca -0.00 -0.62 -0.22 0.00 -0.05 0.00 0.00 56.93 56.04 2jot s PHE 30 Cb -0.02 0.79 0.05 0.00 -0.63 0.00 0.00 43.02 43.21 2jot s PHE 30 CO 0.00 -1.41 0.82 0.42 -0.05 0.00 0.00 175.22 175.00 2jot s ILE 31 N -2.74 4.57 -0.49 -4.49 -1.09 -1.26 -1.82 121.20 113.89 2jot s ILE 31 Ca 0.15 -0.03 -0.22 0.00 -2.23 0.00 0.00 60.65 58.31 2jot s ILE 31 Cb -0.05 -4.45 0.04 0.00 -1.58 0.00 0.00 42.46 36.41 2jot s ILE 31 CO 0.09 -1.01 0.79 -0.47 -1.23 0.00 0.00 174.94 173.12 2jot s TYR 32 N 3.46 2.95 -0.11 3.97 5.04 0.24 -4.56 117.35 128.33 2jot s TYR 32 Ca 0.24 -0.04 0.16 0.00 -2.44 0.00 0.00 57.07 54.99 2jot s TYR 32 Cb -0.15 -3.74 -0.18 0.00 0.35 0.00 0.00 41.96 38.24 2jot s TYR 32 CO 0.16 -1.10 0.70 0.41 -1.34 0.00 0.00 175.55 174.38 2jot n GLY 33 N 5.07 -1.12 0.00 8.97 0.00 -0.72 -3.04 105.19 114.35 2jot n GLY 33 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2jot n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jot n GLY 34 N 1.46 0.43 3.23 -0.02 0.00 -1.26 -3.62 105.19 105.41 2jot n GLY 34 Ca -0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 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 4.76 1.38 3.68 0.00 0.00 -1.23 0.11 105.19 113.89 2jot n GLY 36 Ca -0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.15 2.28 0.00 -0.02 0.00 -1.16 -0.62 107.32 106.65 2jot s GLY 37 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 44.72 44.71 2jot s GLY 37 CO 0.00 1.38 0.00 1.16 0.00 0.00 0.00 173.10 175.64 2jot n ASN 38 N 4.63 0.00 0.00 1.64 0.23 -1.26 -5.02 115.26 115.49 2jot n ASN 38 Ca 0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.06 2jot n ASN 38 Cb 0.50 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.20 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 2.03 0.87 0.01 4.83 0.00 -1.26 -4.82 105.19 106.85 2jot n GLY 39 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 0.37 -4.92 1.61 2.85 -1.26 -4.83 115.26 109.09 2jot n ASN 40 Ca 0.00 -0.37 -0.27 0.00 -0.11 0.00 0.00 54.58 53.84 2jot n ASN 40 Cb 0.25 1.63 -0.01 0.00 1.24 0.00 0.00 39.78 42.89 2jot n ASN 40 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 2jot s LYS 41 N -3.32 3.54 -0.24 1.20 2.20 -1.26 -2.75 119.74 119.11 2jot s LYS 41 Ca -0.02 0.03 -0.21 0.00 -0.36 0.00 0.00 55.97 55.41 2jot s LYS 41 Cb 0.15 -2.49 0.06 0.00 -1.51 0.00 0.00 37.83 34.04 2jot s LYS 41 CO 0.89 -0.05 0.62 -0.06 -0.36 0.00 0.00 175.35 176.39 2jot s PHE 42 N -2.54 -0.71 0.25 4.03 0.08 0.49 -4.94 117.98 114.64 2jot s PHE 42 Ca 0.45 1.70 -0.05 0.00 0.12 0.00 0.00 56.93 59.15 2jot s PHE 42 Cb -0.10 0.26 0.35 0.00 -0.57 0.00 0.00 43.02 42.96 2jot s PHE 42 CO 0.40 -0.34 1.86 -1.35 -0.10 0.00 0.00 175.22 175.69 2jot h PRO 43 N 5.32 0.99 -6.24 0.24 0.11 -1.93 0.85 132.00 131.35 2jot h PRO 43 Ca -0.29 -0.06 -0.59 0.00 0.11 0.00 0.00 66.00 65.17 2jot h PRO 43 Cb 1.17 -0.22 -0.17 0.00 0.11 0.00 0.00 31.00 31.89 2jot h PRO 43 CO 0.12 0.65 -0.79 0.95 -0.21 0.00 0.00 178.00 178.72 2jot s THR 44 N -6.06 2.17 0.19 -1.15 -4.23 -1.26 -4.21 115.64 101.08 2jot s THR 44 Ca -0.13 -2.09 0.20 0.00 -1.18 0.00 0.00 61.69 58.50 2jot s THR 44 Cb 0.19 -2.07 0.17 0.00 1.34 0.00 0.00 72.50 72.13 2jot s THR 44 CO 0.80 -0.27 1.78 -0.61 -0.54 0.00 0.00 174.62 175.78 2jot h GLN 45 N 2.97 0.00 -0.03 3.99 4.15 -1.94 -2.86 115.11 121.40 2jot h GLN 45 Ca -0.43 0.00 0.01 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 0.52 0.32 0.04 0.93 -1.93 0.00 0.00 178.83 178.71 2jot h GLU 46 N 0.00 0.00 0.13 1.69 5.08 -1.98 -2.14 114.58 117.36 2jot h GLU 46 Ca -0.00 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.02 2jot h GLU 46 Cb 0.81 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 2jot h GLU 46 CO 0.04 0.00 -1.81 0.00 -1.00 0.00 0.00 179.01 176.24 2jot h ALA 47 N 1.94 0.32 0.00 3.43 0.00 -1.92 -2.89 119.26 120.15 2jot h ALA 47 Ca 0.01 -1.28 -0.00 0.00 0.00 0.00 0.00 54.91 53.64 2jot h ALA 47 Cb 0.09 0.63 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 2jot h ALA 47 CO -0.00 1.13 -0.01 0.00 0.00 0.00 0.00 179.25 180.38 2jot h MET 49 N 0.00 0.31 0.00 0.00 2.07 -1.55 -2.83 114.93 112.94 2jot h MET 49 Ca -0.00 -0.54 0.00 0.00 -2.07 0.00 0.00 59.70 57.09 2jot h MET 49 Cb 0.01 0.20 0.00 0.00 -1.87 0.00 0.00 31.60 29.94 2jot h MET 49 CO 0.00 1.25 0.00 1.17 1.07 0.00 0.00 176.91 180.40 2jot n LYS 50 N -3.52 0.17 -0.05 1.72 4.81 -1.01 0.11 118.16 120.39 2jot n LYS 50 Ca -0.29 0.12 -0.05 0.00 -0.87 0.00 0.00 58.31 57.22 2jot n LYS 50 Cb 1.06 -1.50 -0.08 0.00 0.02 0.00 0.00 35.03 34.53 2jot n LYS 50 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2jot n ARG 51 N -1.37 2.35 -0.01 1.64 3.00 -0.23 -3.79 116.66 118.25 2jot n ARG 51 Ca 0.08 -0.00 -0.01 0.00 -0.01 0.00 0.00 57.85 57.91 2jot n ARG 51 Cb 0.19 -1.26 -0.01 0.00 0.00 0.00 0.00 32.46 31.38 2jot n ARG 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2jot h ALA 53 N 0.08 0.64 0.00 0.00 0.00 0.65 -3.41 119.26 117.23 2jot h ALA 53 Ca -0.04 -1.27 -0.23 0.00 0.00 0.00 0.00 54.91 53.36 2jot h ALA 53 Cb 1.07 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 2jot h ALA 53 CO 0.00 1.46 -1.68 1.63 0.00 0.00 0.00 179.25 180.67 2jot n LYS 54 N -3.14 0.55 0.00 0.00 5.02 0.23 -4.96 118.16 115.86 2jot n LYS 54 Ca -0.11 0.30 0.02 0.00 -2.02 0.00 0.00 58.31 56.50 2jot n LYS 54 Cb 1.01 -1.52 0.09 0.00 -0.02 0.00 0.00 35.03 34.60 2jot n LYS 54 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88