#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 2.79 -0.35 9.51 5.68 -1.26 -4.61 116.55 128.32 2jot n ASP 2 Ca 0.00 -0.05 0.10 0.00 -0.50 0.00 0.00 54.79 54.34 2jot n ASP 2 Cb 0.00 -0.22 0.29 0.00 -1.14 0.00 0.00 41.12 40.04 2jot n ASP 2 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 2jot h THR 3 N -0.05 0.84 0.00 2.12 2.02 -1.95 0.25 112.91 116.15 2jot h THR 3 Ca -0.30 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.58 2jot h THR 3 Cb 1.44 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 2jot h THR 3 CO -0.06 0.16 0.00 0.00 0.37 0.00 0.00 175.52 175.99 2jot h ARG 5 N 0.00 0.20 -5.53 0.00 3.08 -0.77 -3.29 114.38 108.07 2jot h ARG 5 Ca 0.00 -0.34 -0.65 0.00 0.07 0.00 0.00 59.98 59.07 2jot h ARG 5 Cb 0.03 0.13 -0.14 0.00 0.08 0.00 0.00 29.97 30.06 2jot h ARG 5 CO 0.00 1.02 0.22 -0.48 -1.07 0.00 0.00 179.97 179.66 2jot s LEU 6 N -6.79 4.43 0.71 3.04 2.34 -0.77 -5.04 118.68 116.61 2jot s LEU 6 Ca -0.17 -0.29 -0.14 0.00 0.06 0.00 0.00 54.13 53.59 2jot s LEU 6 Cb 0.07 -2.80 0.03 0.00 -0.56 0.00 0.00 46.19 42.93 2jot s LEU 6 CO 0.79 -0.85 1.12 -2.16 -1.06 0.00 0.00 176.35 174.19 2jot s PRO 7 N 3.01 2.45 0.08 1.48 0.04 -1.26 -4.37 135.00 136.43 2jot s PRO 7 Ca 0.25 1.40 0.05 0.00 0.04 0.00 0.00 61.00 62.74 2jot s PRO 7 Cb -0.14 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 2jot s PRO 7 CO 0.20 -1.53 -0.03 0.45 0.04 0.00 0.00 177.00 176.13 2jot s SER 8 N -2.71 4.83 0.08 6.66 0.15 -1.26 -4.81 113.70 116.64 2jot s SER 8 Ca 0.67 -0.22 -0.10 0.00 0.70 0.00 0.00 55.95 57.00 2jot s SER 8 Cb -0.21 -1.10 -0.06 0.00 -1.71 0.00 0.00 66.02 62.94 2jot s SER 8 CO 0.47 0.19 0.41 -1.81 1.20 0.00 0.00 173.24 173.70 2jot s ASP 9 N -2.15 6.65 0.00 5.45 1.01 -1.21 -4.91 116.67 121.52 2jot s ASP 9 Ca 0.23 0.80 0.27 0.00 0.71 0.00 0.00 52.55 54.57 2jot s ASP 9 Cb -0.11 -2.18 0.98 0.00 1.01 0.00 0.00 42.92 42.62 2jot s ASP 9 CO 0.16 0.17 1.71 -2.11 0.21 0.00 0.00 175.17 175.30 2jot n ARG 10 N 0.91 1.71 -2.65 8.23 1.85 -1.25 -3.82 116.66 121.64 2jot n ARG 10 Ca -0.08 -1.03 -0.03 0.00 -1.00 0.00 0.00 57.85 55.71 2jot n ARG 10 Cb 0.52 -1.47 -0.03 0.00 -1.05 0.00 0.00 32.46 30.43 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 -3.78 0.02 2.89 0.00 0.11 0.10 105.19 105.72 2jot n GLY 11 Ca 0.19 1.05 0.08 0.00 0.00 0.00 0.00 46.02 47.33 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 1.96 0.03 0.00 1.61 0.63 -1.26 -1.31 116.66 118.32 2jot n ARG 12 Ca -0.24 0.28 0.00 0.00 -0.92 0.00 0.00 57.85 56.97 2jot n ARG 12 Cb 0.37 -1.55 0.00 0.00 0.45 0.00 0.00 32.46 31.73 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 -0.70 3.10 -1.50 0.00 4.76 -1.23 -5.01 118.16 117.57 2jot n LYS 14 Ca 0.00 -3.98 -0.42 0.00 -2.87 0.00 0.00 58.31 51.04 2jot n LYS 14 Cb 0.00 -2.26 -0.09 0.00 -1.84 0.00 0.00 35.03 30.84 2jot n LYS 14 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2jot n ALA 15 N -0.54 0.62 -2.07 7.82 0.00 -1.19 -4.17 120.51 120.98 2jot n ALA 15 Ca 0.47 -0.46 -0.02 0.00 0.00 0.00 0.00 53.44 53.43 2jot n ALA 15 Cb 0.48 -2.66 -0.03 0.00 0.00 0.00 0.00 19.45 17.25 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 12.26 -0.27 -3.82 0.00 2.88 -1.11 -4.88 113.62 118.68 2jot n SER 16 Ca 0.50 -1.65 -0.09 0.00 -1.33 0.00 0.00 58.87 56.31 2jot n SER 16 Cb 0.25 0.06 -0.03 0.00 -0.75 0.00 0.00 64.21 63.74 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 0.00 -0.05 -0.14 0.66 0.40 -0.89 -5.00 117.98 112.97 2jot s PHE 17 Ca 0.04 -0.33 0.02 0.00 -0.60 0.00 0.00 56.93 56.06 2jot s PHE 17 Cb 0.05 0.45 0.01 0.00 0.51 0.00 0.00 43.02 44.05 2jot s PHE 17 CO -0.02 -1.03 -0.20 -1.21 0.70 0.00 0.00 175.22 173.45 2jot s GLU 18 N -3.92 2.87 0.42 0.44 2.02 -1.26 0.14 118.70 119.42 2jot s GLU 18 Ca 0.12 -0.80 0.07 0.00 0.02 0.00 0.00 54.97 54.38 2jot s GLU 18 Cb -0.02 -2.36 -0.07 0.00 0.10 0.00 0.00 34.13 31.78 2jot s GLU 18 CO 0.03 -0.06 0.06 1.03 0.02 0.00 0.00 175.26 176.34 2jot s ARG 19 N 0.93 2.05 0.06 1.61 3.00 -0.84 -4.87 118.95 120.89 2jot s ARG 19 Ca -0.05 -2.07 0.07 0.00 0.00 0.00 0.00 55.73 53.68 2jot s ARG 19 Cb -0.15 -1.72 -0.03 0.00 0.00 0.00 0.00 34.95 33.04 2jot s ARG 19 CO -0.04 -0.10 -0.15 -1.58 0.00 0.00 0.00 175.30 173.43 2jot s TRP 20 N -2.70 2.63 0.06 -0.53 0.52 0.14 -2.85 118.94 116.20 2jot s TRP 20 Ca 0.34 -0.21 -0.07 0.00 0.02 0.00 0.00 56.10 56.18 2jot s TRP 20 Cb 0.08 -1.46 -0.01 0.00 -1.15 0.00 0.00 33.47 30.93 2jot s TRP 20 CO 0.18 0.32 0.14 1.52 0.02 0.00 0.00 176.95 179.12 2jot s TYR 21 N -1.01 0.19 0.47 -1.98 1.13 -1.11 0.34 117.35 115.38 2jot s TYR 21 Ca 0.16 -0.55 -0.21 0.00 -1.41 0.00 0.00 57.07 55.06 2jot s TYR 21 Cb -0.11 -0.12 -0.09 0.00 -1.10 0.00 0.00 41.96 40.55 2jot s TYR 21 CO 0.08 -0.45 1.04 -0.06 -2.51 0.00 0.00 175.55 173.64 2jot s PHE 22 N -3.26 3.05 -0.41 -3.49 0.40 -1.15 -0.29 117.98 112.83 2jot s PHE 22 Ca 0.00 1.59 0.10 0.00 -0.60 0.00 0.00 56.93 58.02 2jot s PHE 22 Cb 0.02 -3.07 0.32 0.00 0.51 0.00 0.00 43.02 40.80 2jot s PHE 22 CO -0.08 -0.77 0.70 -1.71 0.70 0.00 0.00 175.22 174.06 2jot n ASN 23 N -0.80 1.19 0.00 1.36 5.15 0.30 -4.78 115.26 117.69 2jot n ASN 23 Ca 0.08 -3.02 0.00 0.00 -0.60 0.00 0.00 54.58 51.04 2jot n ASN 23 Cb 0.52 -0.62 0.00 0.00 -0.53 0.00 0.00 39.78 39.15 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 0.54 1.26 0.00 8.20 0.00 -1.24 -3.09 105.19 110.86 2jot n GLY 24 Ca 0.25 -0.02 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 0.01 -3.71 1.61 0.00 -1.26 -4.98 116.66 108.33 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 -0.76 -0.04 0.00 -0.00 0.00 0.00 32.46 31.65 2jot n ARG 25 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 2jot s THR 26 N -1.53 2.57 0.69 8.89 2.01 -1.18 -4.65 115.64 122.44 2jot s THR 26 Ca 0.00 -1.44 -0.03 0.00 0.31 0.00 0.00 61.69 60.54 2jot s THR 26 Cb 0.00 -3.00 0.09 0.00 0.01 0.00 0.00 72.50 69.60 2jot s THR 26 CO 0.00 -0.00 0.96 0.00 -0.69 0.00 0.00 174.62 174.89 2jot s ALA 28 N -3.11 1.32 -0.06 0.00 0.00 0.60 -4.73 121.76 115.78 2jot s ALA 28 Ca 0.63 -1.79 -0.05 0.00 0.00 0.00 0.00 51.96 50.75 2jot s ALA 28 Cb -0.08 1.35 0.01 0.00 0.00 0.00 0.00 23.12 24.41 2jot s ALA 28 CO 0.43 -0.70 0.15 -1.59 0.00 0.00 0.00 175.76 174.05 2jot s LYS 29 N -3.50 0.17 0.34 0.00 -2.85 -1.26 -2.76 119.74 109.89 2jot s LYS 29 Ca 0.37 0.21 -0.13 0.00 -1.00 0.00 0.00 55.97 55.42 2jot s LYS 29 Cb 0.02 0.08 0.03 0.00 -2.06 0.00 0.00 37.83 35.90 2jot s LYS 29 CO 0.22 -0.02 0.66 -0.59 0.10 0.00 0.00 175.35 175.71 2jot s PHE 30 N 0.09 0.36 -0.49 1.78 -0.12 -1.13 -5.01 117.98 113.46 2jot s PHE 30 Ca -0.00 -0.84 -0.22 0.00 -0.05 0.00 0.00 56.93 55.81 2jot s PHE 30 Cb -0.01 0.49 0.04 0.00 -0.63 0.00 0.00 43.02 42.91 2jot s PHE 30 CO 0.00 -1.33 0.79 0.42 -0.05 0.00 0.00 175.22 175.05 2jot s ILE 31 N -2.96 4.63 -0.15 -4.49 -1.09 -1.26 -1.98 121.20 113.89 2jot s ILE 31 Ca 0.20 0.19 -0.20 0.00 -2.23 0.00 0.00 60.65 58.60 2jot s ILE 31 Cb -0.03 -4.37 -0.03 0.00 -1.58 0.00 0.00 42.46 36.44 2jot s ILE 31 CO 0.13 -0.84 0.59 -0.47 -1.23 0.00 0.00 174.94 173.11 2jot s TYR 32 N 3.33 3.45 -0.12 3.97 6.14 0.37 -4.62 117.35 129.87 2jot s TYR 32 Ca 0.27 0.96 0.18 0.00 0.64 0.00 0.00 57.07 59.12 2jot s TYR 32 Cb -0.14 -2.72 -0.27 0.00 0.42 0.00 0.00 41.96 39.25 2jot s TYR 32 CO 0.19 -0.03 0.23 0.41 0.64 0.00 0.00 175.55 177.00 2jot n GLY 33 N 3.54 -0.93 0.00 8.97 0.00 0.29 -2.08 105.19 114.98 2jot n GLY 33 Ca -0.03 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 1.63 0.22 3.15 -0.02 0.00 -1.24 -3.48 105.19 105.45 2jot n GLY 34 Ca -0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 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 4.54 -0.55 2.78 0.00 0.00 -1.25 0.10 105.19 110.82 2jot n GLY 36 Ca -0.02 -0.17 -0.15 0.00 0.00 0.00 0.00 46.02 45.68 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 1.50 0.01 3.85 -0.02 0.00 -1.26 -3.29 105.19 105.99 2jot n GLY 37 Ca -0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 46.02 45.82 2jot n GLY 37 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2jot s ASN 38 N -3.17 -0.03 0.00 1.61 3.84 -1.26 -4.88 114.94 111.06 2jot s ASN 38 Ca 0.35 -0.51 0.12 0.00 0.21 0.00 0.00 52.86 53.02 2jot s ASN 38 Cb -0.15 0.41 0.13 0.00 -0.55 0.00 0.00 41.25 41.09 2jot s ASN 38 CO 0.43 -0.81 0.94 0.61 -2.79 0.00 0.00 177.10 175.48 2jot n GLY 39 N -0.67 0.23 0.12 1.21 0.00 -1.26 -4.48 105.19 100.34 2jot n GLY 39 Ca -0.03 -0.34 0.13 0.00 0.00 0.00 0.00 46.02 45.77 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 0.64 0.69 -4.90 1.61 2.85 -1.26 -4.89 115.26 109.98 2jot n ASN 40 Ca 0.08 -0.53 -0.28 0.00 -0.11 0.00 0.00 54.58 53.74 2jot n ASN 40 Cb 0.31 0.11 -0.03 0.00 1.24 0.00 0.00 39.78 41.42 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 -2.71 3.63 0.13 1.20 0.00 -1.26 -2.93 119.74 117.80 2jot s LYS 41 Ca 0.20 0.05 -0.24 0.00 0.00 0.00 0.00 55.97 55.98 2jot s LYS 41 Cb 0.19 -2.59 0.07 0.00 0.00 0.00 0.00 37.83 35.50 2jot s LYS 41 CO 0.58 0.13 0.64 -0.06 0.00 0.00 0.00 175.35 176.64 2jot s PHE 42 N -2.21 -0.52 -0.00 1.78 0.08 0.15 -4.96 117.98 112.30 2jot s PHE 42 Ca 0.45 0.34 -0.19 0.00 0.12 0.00 0.00 56.93 57.65 2jot s PHE 42 Cb -0.10 0.55 -0.31 0.00 -0.57 0.00 0.00 43.02 42.59 2jot s PHE 42 CO 0.32 -0.80 0.99 -1.00 -0.10 0.00 0.00 175.22 174.63 2jot h PRO 43 N 2.03 0.43 -6.64 0.24 0.13 -1.94 0.39 132.00 126.65 2jot h PRO 43 Ca -0.32 -0.65 -0.66 0.00 -0.87 0.00 0.00 66.00 63.50 2jot h PRO 43 Cb 1.30 0.23 -0.18 0.00 0.13 0.00 0.00 31.00 32.47 2jot h PRO 43 CO 0.37 1.29 -0.80 0.95 -0.23 0.00 0.00 178.00 179.58 2jot s THR 44 N -2.69 2.63 0.10 1.56 -4.23 -1.26 -4.15 115.64 107.60 2jot s THR 44 Ca -0.12 -1.81 0.24 0.00 -1.18 0.00 0.00 61.69 58.83 2jot s THR 44 Cb 0.03 -2.25 0.25 0.00 1.34 0.00 0.00 72.50 71.86 2jot s THR 44 CO 0.87 -0.04 1.82 -0.61 -0.54 0.00 0.00 174.62 176.12 2jot h GLN 45 N 3.33 0.00 -0.03 3.99 4.15 -1.92 -2.95 115.11 121.68 2jot h GLN 45 Ca -0.48 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 58.93 2jot h GLN 45 Cb 1.19 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.88 2jot h GLN 45 CO 0.48 0.21 -0.05 1.49 -1.93 0.00 0.00 178.83 179.02 2jot h GLU 46 N 0.00 0.04 0.14 1.69 4.57 -1.98 0.74 114.58 119.77 2jot h GLU 46 Ca -0.00 -0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 57.97 2jot h GLU 46 Cb 0.76 -0.01 0.02 0.00 -0.16 0.00 0.00 28.75 29.36 2jot h GLU 46 CO 0.03 0.10 -0.89 0.00 -1.18 0.00 0.00 179.01 177.06 2jot h ALA 47 N 1.91 -0.08 -0.57 2.92 0.00 -1.93 -2.38 119.26 119.12 2jot h ALA 47 Ca 0.01 -0.71 -0.10 0.00 0.00 0.00 0.00 54.91 54.12 2jot h ALA 47 Cb 0.12 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2jot h ALA 47 CO 0.01 0.42 -0.03 0.00 0.00 0.00 0.00 179.25 179.65 2jot h MET 49 N 0.93 0.73 0.00 0.00 -1.53 -0.97 -2.32 114.93 111.76 2jot h MET 49 Ca 0.16 -0.47 0.00 0.00 -3.44 0.00 0.00 59.70 55.95 2jot h MET 49 Cb 0.58 0.06 0.00 0.00 -0.55 0.00 0.00 31.60 31.69 2jot h MET 49 CO 0.03 1.09 0.00 1.17 0.14 0.00 0.00 176.91 179.35 2jot n LYS 50 N -4.15 0.31 -0.10 0.39 4.81 -0.90 0.11 118.16 118.64 2jot n LYS 50 Ca -0.05 0.06 -0.12 0.00 -0.87 0.00 0.00 58.31 57.33 2jot n LYS 50 Cb 0.58 -1.50 -0.14 0.00 0.02 0.00 0.00 35.03 33.99 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 -1.30 0.78 0.00 1.64 1.74 -0.64 -4.07 116.66 114.82 2jot n ARG 51 Ca 0.11 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 2jot n ARG 51 Cb 0.20 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 2jot n ARG 51 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2jot n ALA 53 N -0.94 0.93 0.17 0.00 0.00 0.31 -4.48 120.51 116.50 2jot n ALA 53 Ca 0.00 -0.82 0.03 0.00 0.00 0.00 0.00 53.44 52.65 2jot n ALA 53 Cb 0.00 -0.04 0.30 0.00 0.00 0.00 0.00 19.45 19.71 2jot n ALA 53 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2jot h LYS 54 N -1.00 0.00 0.00 0.00 1.63 0.60 -3.48 116.57 114.31 2jot h LYS 54 Ca -0.36 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.44 2jot h LYS 54 Cb 1.24 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.87 2jot h LYS 54 CO -0.22 0.45 0.00 0.00 -3.45 0.00 0.00 179.45 176.24