#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 2.36 -0.30 9.51 8.00 -1.26 -4.56 116.55 130.30 2jot n ASP 2 Ca 0.00 -0.06 0.08 0.00 0.71 0.00 0.00 54.79 55.52 2jot n ASP 2 Cb 0.00 1.45 0.30 0.00 -0.02 0.00 0.00 41.12 42.86 2jot n ASP 2 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2jot h THR 3 N 0.00 0.92 0.00 -3.53 2.02 -1.93 0.24 112.91 110.63 2jot h THR 3 Ca 0.00 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.88 2jot h THR 3 Cb 0.47 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 2jot h THR 3 CO 0.00 0.16 0.00 0.00 0.37 0.00 0.00 175.52 176.05 2jot h ARG 5 N 0.00 0.08 -5.91 0.00 2.47 -0.81 -3.37 114.38 106.85 2jot h ARG 5 Ca 0.00 -0.13 -0.58 0.00 -1.26 0.00 0.00 59.98 58.01 2jot h ARG 5 Cb 0.23 0.05 -0.07 0.00 -1.65 0.00 0.00 29.97 28.54 2jot h ARG 5 CO 0.00 0.71 -0.11 -0.48 0.56 0.00 0.00 179.97 180.65 2jot s LEU 6 N -6.37 4.36 0.69 3.04 0.05 -0.96 -4.88 118.68 114.60 2jot s LEU 6 Ca -0.09 0.96 -0.11 0.00 0.05 0.00 0.00 54.13 54.94 2jot s LEU 6 Cb 0.08 -2.76 0.01 0.00 -2.05 0.00 0.00 46.19 41.47 2jot s LEU 6 CO 0.81 0.09 1.07 -2.16 -0.55 0.00 0.00 176.35 175.62 2jot s PRO 7 N 0.03 2.88 -0.11 1.48 0.04 -1.26 -4.52 135.00 133.55 2jot s PRO 7 Ca 0.27 0.41 -0.01 0.00 0.04 0.00 0.00 61.00 61.71 2jot s PRO 7 Cb -0.16 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 32.29 2jot s PRO 7 CO 0.13 -0.98 -0.06 -1.12 0.04 0.00 0.00 177.00 175.01 2jot s SER 8 N -4.35 4.69 -0.15 6.66 0.01 -1.26 -4.81 113.70 114.49 2jot s SER 8 Ca 0.58 -0.07 -0.18 0.00 1.31 0.00 0.00 55.95 57.59 2jot s SER 8 Cb -0.11 -1.45 -0.04 0.00 0.21 0.00 0.00 66.02 64.64 2jot s SER 8 CO 0.51 0.28 0.46 -1.81 0.41 0.00 0.00 173.24 173.09 2jot s ASP 9 N -0.30 6.61 0.00 2.44 1.01 -0.63 -4.80 116.67 120.99 2jot s ASP 9 Ca 0.05 0.72 0.25 0.00 0.71 0.00 0.00 52.55 54.28 2jot s ASP 9 Cb -0.13 -2.27 1.31 0.00 1.01 0.00 0.00 42.92 42.84 2jot s ASP 9 CO 0.02 -0.05 1.83 -2.11 0.21 0.00 0.00 175.17 175.08 2jot n ARG 10 N 4.03 0.46 -0.95 8.23 1.85 -1.25 -0.13 116.66 128.90 2jot n ARG 10 Ca -0.07 0.04 0.10 0.00 -1.00 0.00 0.00 57.85 56.93 2jot n ARG 10 Cb 0.51 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.39 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 0.74 -1.31 0.00 2.89 0.00 0.43 0.71 105.19 108.66 2jot n GLY 11 Ca 0.14 -0.60 0.05 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.04 3.33 0.00 1.61 0.63 -1.26 -4.20 116.66 113.72 2jot n ARG 12 Ca -0.01 -0.01 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 2jot n ARG 12 Cb 0.60 -1.00 0.00 0.00 0.45 0.00 0.00 32.46 32.51 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 -0.49 3.44 -1.55 0.00 4.76 -1.20 -5.00 118.16 118.11 2jot n LYS 14 Ca 0.00 -4.23 -0.22 0.00 -2.87 0.00 0.00 58.31 50.99 2jot n LYS 14 Cb 0.00 -2.29 -0.06 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 -0.41 0.52 -1.80 7.82 0.00 -1.22 -4.31 120.51 121.10 2jot n ALA 15 Ca 0.44 -1.19 -0.02 0.00 0.00 0.00 0.00 53.44 52.67 2jot n ALA 15 Cb 0.41 -3.21 -0.02 0.00 0.00 0.00 0.00 19.45 16.64 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 17.13 -0.26 -4.20 0.00 7.64 -1.26 -4.93 113.62 127.75 2jot n SER 16 Ca 0.45 -1.01 -0.12 0.00 1.01 0.00 0.00 58.87 59.19 2jot n SER 16 Cb 0.45 0.08 -0.10 0.00 -1.01 0.00 0.00 64.21 63.63 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 1.09 -0.03 1.43 0.40 -1.10 -5.01 117.98 114.76 2jot s PHE 17 Ca 0.00 -1.22 0.06 0.00 -0.60 0.00 0.00 56.93 55.16 2jot s PHE 17 Cb 0.00 -0.60 -0.01 0.00 0.51 0.00 0.00 43.02 42.92 2jot s PHE 17 CO 0.00 -0.47 -0.21 -1.83 0.70 0.00 0.00 175.22 173.42 2jot s GLU 18 N -4.05 1.92 0.29 0.44 1.03 -1.26 0.16 118.70 117.24 2jot s GLU 18 Ca 0.30 -0.74 -0.04 0.00 0.03 0.00 0.00 54.97 54.52 2jot s GLU 18 Cb 0.07 -1.74 -0.01 0.00 -0.80 0.00 0.00 34.13 31.66 2jot s GLU 18 CO 0.06 0.37 0.40 1.03 -1.33 0.00 0.00 175.26 175.79 2jot s ARG 19 N -0.25 1.69 0.11 -4.83 1.81 -0.88 -4.80 118.95 111.79 2jot s ARG 19 Ca 0.02 -1.64 0.06 0.00 -1.72 0.00 0.00 55.73 52.44 2jot s ARG 19 Cb -0.10 0.41 -0.04 0.00 -0.45 0.00 0.00 34.95 34.76 2jot s ARG 19 CO 0.01 -0.67 -0.01 -1.58 -0.68 0.00 0.00 175.30 172.36 2jot s TRP 20 N -3.51 2.93 -0.03 -0.53 0.52 0.22 -2.89 118.94 115.66 2jot s TRP 20 Ca 0.31 -0.07 -0.04 0.00 0.02 0.00 0.00 56.10 56.32 2jot s TRP 20 Cb 0.01 -1.49 0.01 0.00 -1.15 0.00 0.00 33.47 30.84 2jot s TRP 20 CO 0.17 0.48 0.11 1.52 0.02 0.00 0.00 176.95 179.25 2jot s TYR 21 N -1.37 -0.06 -0.06 -1.98 1.13 -1.14 0.14 117.35 114.01 2jot s TYR 21 Ca 0.25 0.15 -0.30 0.00 -1.41 0.00 0.00 57.07 55.76 2jot s TYR 21 Cb -0.11 0.00 -0.04 0.00 -1.10 0.00 0.00 41.96 40.71 2jot s TYR 21 CO 0.18 -0.12 1.39 0.12 -2.51 0.00 0.00 175.55 174.60 2jot s PHE 22 N -0.38 2.72 -0.73 -3.49 5.36 -1.14 -0.93 117.98 119.39 2jot s PHE 22 Ca -0.05 0.79 0.04 0.00 -0.96 0.00 0.00 56.93 56.76 2jot s PHE 22 Cb -0.03 -3.64 0.22 0.00 -0.34 0.00 0.00 43.02 39.23 2jot s PHE 22 CO 0.00 -2.39 0.72 -1.71 -1.46 0.00 0.00 175.22 170.39 2jot n ASN 23 N 6.03 3.78 0.00 6.13 5.15 0.16 -4.74 115.26 131.76 2jot n ASN 23 Ca 0.14 -3.32 0.00 0.00 -0.60 0.00 0.00 54.58 50.80 2jot n ASN 23 Cb 0.44 -0.80 0.00 0.00 -0.53 0.00 0.00 39.78 38.89 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 1.47 2.31 0.01 8.20 0.00 -1.26 -3.16 105.19 112.75 2jot n GLY 24 Ca 0.25 0.02 -0.01 0.00 0.00 0.00 0.00 46.02 46.28 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 2.89 -3.96 1.61 0.00 -1.26 -4.92 116.66 111.02 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 -1.04 -0.06 0.00 -0.00 0.00 0.00 32.46 31.37 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 -2.04 2.68 0.71 8.89 2.01 -1.19 -5.02 115.64 121.68 2jot s THR 26 Ca -0.01 -1.59 -0.03 0.00 0.31 0.00 0.00 61.69 60.37 2jot s THR 26 Cb 0.00 -3.00 0.10 0.00 0.01 0.00 0.00 72.50 69.62 2jot s THR 26 CO 0.06 -0.06 0.99 0.00 -0.69 0.00 0.00 174.62 174.91 2jot s ALA 28 N -3.16 1.19 -0.02 0.00 0.00 -0.10 -4.71 121.76 114.97 2jot s ALA 28 Ca 0.64 -1.72 0.01 0.00 0.00 0.00 0.00 51.96 50.89 2jot s ALA 28 Cb -0.07 1.32 0.01 0.00 0.00 0.00 0.00 23.12 24.38 2jot s ALA 28 CO 0.44 -0.71 -0.01 0.15 0.00 0.00 0.00 175.76 175.63 2jot s LYS 29 N -3.49 0.23 0.35 0.00 -0.14 -1.26 -2.90 119.74 112.53 2jot s LYS 29 Ca 0.35 0.00 -0.17 0.00 -1.36 0.00 0.00 55.97 54.80 2jot s LYS 29 Cb 0.02 -0.33 0.04 0.00 -1.68 0.00 0.00 37.83 35.88 2jot s LYS 29 CO 0.21 -0.05 0.75 -0.59 -0.76 0.00 0.00 175.35 174.91 2jot s PHE 30 N 0.51 0.07 -0.49 3.18 -0.71 -1.14 -5.03 117.98 114.36 2jot s PHE 30 Ca -0.05 -0.66 -0.22 0.00 -1.04 0.00 0.00 56.93 54.97 2jot s PHE 30 Cb -0.08 0.75 0.04 0.00 -1.21 0.00 0.00 43.02 42.52 2jot s PHE 30 CO -0.01 -1.44 0.77 0.42 -1.34 0.00 0.00 175.22 173.62 2jot s ILE 31 N -2.86 4.65 -0.28 -4.49 -1.09 -1.26 -2.08 121.20 113.79 2jot s ILE 31 Ca 0.15 0.11 -0.21 0.00 -2.23 0.00 0.00 60.65 58.47 2jot s ILE 31 Cb -0.05 -4.36 -0.01 0.00 -1.58 0.00 0.00 42.46 36.45 2jot s ILE 31 CO 0.10 -0.84 0.66 -0.47 -1.23 0.00 0.00 174.94 173.17 2jot s TYR 32 N 3.25 3.25 0.07 3.97 5.04 0.43 -4.70 117.35 128.66 2jot s TYR 32 Ca 0.25 0.75 0.08 0.00 -2.44 0.00 0.00 57.07 55.71 2jot s TYR 32 Cb -0.14 -2.96 -0.22 0.00 0.35 0.00 0.00 41.96 38.99 2jot s TYR 32 CO 0.18 -0.42 1.08 0.78 -1.34 0.00 0.00 175.55 175.84 2jot h GLY 33 N 9.10 0.02 0.00 8.97 0.00 0.12 -2.93 103.07 118.34 2jot h GLY 33 Ca -0.26 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.02 2jot h GLY 33 CO 0.80 0.04 0.00 0.61 0.00 0.00 0.00 176.54 178.00 2jot n GLY 34 N 1.43 0.98 3.63 4.60 0.00 -1.15 -3.26 105.19 111.41 2jot n GLY 34 Ca -0.06 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 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 0.90 1.97 0.73 0.00 0.00 -1.15 0.16 105.19 107.80 2jot n GLY 36 Ca -0.13 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.28 -0.92 0.64 -0.02 0.00 0.82 -1.61 105.19 103.81 2jot n GLY 37 Ca 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.30 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 -3.14 0.00 0.00 1.61 0.23 -1.26 -4.81 115.26 107.90 2jot n ASN 38 Ca 0.03 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.08 2jot n ASN 38 Cb 0.11 0.16 0.00 0.00 -2.08 0.00 0.00 39.78 37.97 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 -1.23 0.21 0.09 4.83 0.00 -1.26 -4.76 105.19 103.06 2jot n GLY 39 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.07 0.62 -4.79 1.61 2.85 -1.26 -4.83 115.26 109.39 2jot n ASN 40 Ca 0.00 0.26 -0.34 0.00 -0.11 0.00 0.00 54.58 54.39 2jot n ASN 40 Cb 0.13 0.68 -0.01 0.00 1.24 0.00 0.00 39.78 41.82 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 -3.14 3.45 -0.20 1.20 2.36 -1.26 -2.88 119.74 119.27 2jot s LYS 41 Ca -0.04 1.44 -0.04 0.00 -2.55 0.00 0.00 55.97 54.78 2jot s LYS 41 Cb 0.10 -2.04 0.10 0.00 -1.05 0.00 0.00 37.83 34.94 2jot s LYS 41 CO 0.83 -0.73 0.34 -0.06 1.55 0.00 0.00 175.35 177.27 2jot s PHE 42 N -2.00 -0.65 0.24 4.03 0.08 0.37 -4.93 117.98 115.11 2jot s PHE 42 Ca 0.69 0.95 -0.05 0.00 0.12 0.00 0.00 56.93 58.64 2jot s PHE 42 Cb -0.20 0.02 0.44 0.00 -0.57 0.00 0.00 43.02 42.72 2jot s PHE 42 CO 0.27 -0.56 1.70 -1.35 -0.10 0.00 0.00 175.22 175.18 2jot h PRO 43 N 8.22 0.31 -5.80 0.24 0.11 -1.92 0.64 132.00 133.80 2jot h PRO 43 Ca -0.17 -0.02 -0.50 0.00 0.11 0.00 0.00 66.00 65.42 2jot h PRO 43 Cb 1.13 -0.07 -0.16 0.00 0.11 0.00 0.00 31.00 32.01 2jot h PRO 43 CO 0.21 0.20 -0.76 0.95 -0.21 0.00 0.00 178.00 178.39 2jot s THR 44 N -6.04 1.82 0.39 -1.15 -4.23 -1.26 -4.41 115.64 100.76 2jot s THR 44 Ca -0.13 -2.05 0.12 0.00 -1.18 0.00 0.00 61.69 58.45 2jot s THR 44 Cb 0.21 -1.94 0.13 0.00 1.34 0.00 0.00 72.50 72.24 2jot s THR 44 CO 0.76 -0.43 1.89 -0.61 -0.54 0.00 0.00 174.62 175.69 2jot h GLN 45 N 2.93 0.07 -0.72 3.99 -0.00 -1.96 -2.59 115.11 116.84 2jot h GLN 45 Ca -0.40 -0.02 0.08 0.00 -0.00 0.00 0.00 58.65 58.30 2jot h GLN 45 Cb 1.22 -0.01 -0.05 0.00 0.00 0.00 0.00 27.48 28.64 2jot h GLN 45 CO 0.56 0.33 0.47 0.93 0.00 0.00 0.00 178.83 181.12 2jot h GLU 46 N 0.07 0.68 -0.01 1.69 5.08 -1.97 -0.48 114.58 119.65 2jot h GLU 46 Ca 0.01 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.18 2jot h GLU 46 Cb 0.50 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 2jot h GLU 46 CO 0.04 0.45 -0.70 0.00 -1.00 0.00 0.00 179.01 177.80 2jot h ALA 47 N 1.62 0.83 -0.18 3.43 0.00 -1.86 -2.80 119.26 120.29 2jot h ALA 47 Ca 0.32 -0.63 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 2jot h ALA 47 Cb 0.34 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2jot h ALA 47 CO -0.11 0.86 0.07 0.00 0.00 0.00 0.00 179.25 180.07 2jot h MET 49 N 0.14 0.75 0.00 0.00 2.07 -1.50 -2.88 114.93 113.51 2jot h MET 49 Ca 0.06 -0.42 0.00 0.00 -2.07 0.00 0.00 59.70 57.28 2jot h MET 49 Cb 0.17 0.03 0.00 0.00 -1.87 0.00 0.00 31.60 29.92 2jot h MET 49 CO -0.01 1.04 0.00 0.36 1.07 0.00 0.00 176.91 179.37 2jot n LYS 50 N -4.02 0.92 -0.12 1.72 -0.00 -1.06 0.56 118.16 116.16 2jot n LYS 50 Ca -0.03 0.00 -0.23 0.00 -0.00 0.00 0.00 58.31 58.06 2jot n LYS 50 Cb 0.56 -1.49 -0.09 0.00 -0.00 0.00 0.00 35.03 34.01 2jot n LYS 50 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2jot n ARG 51 N -0.99 0.56 -0.03 -1.58 3.00 -0.78 -4.39 116.66 112.45 2jot n ARG 51 Ca 0.22 0.37 -0.03 0.00 -0.00 0.00 0.00 57.85 58.41 2jot n ARG 51 Cb 0.10 -1.57 -0.05 0.00 0.00 0.00 0.00 32.46 30.93 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 0.35 0.75 0.02 0.00 0.00 -0.97 -3.36 119.26 116.05 2jot h ALA 53 Ca -0.17 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.34 2jot h ALA 53 Cb 1.35 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2jot h ALA 53 CO 0.01 0.55 -0.01 -0.22 0.00 0.00 0.00 179.25 179.58 2jot h LYS 54 N 0.00 -0.02 0.00 0.00 3.64 -0.09 -3.47 116.57 116.63 2jot h LYS 54 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2jot h LYS 54 Cb 1.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 2jot h LYS 54 CO 0.06 -0.01 0.00 0.00 -2.27 0.00 0.00 179.45 177.22