#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 2.51 0.16 9.51 8.00 -1.26 -4.52 116.55 130.96 2jot n ASP 2 Ca 0.00 0.00 0.18 0.00 0.71 0.00 0.00 54.79 55.68 2jot n ASP 2 Cb 0.00 0.86 0.79 0.00 -0.02 0.00 0.00 41.12 42.75 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 0.52 0.00 -3.53 2.02 -1.97 0.25 112.91 110.20 2jot h THR 3 Ca -0.23 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.95 2jot h THR 3 Cb 1.45 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 68.66 2jot h THR 3 CO 0.01 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.90 2jot n ARG 5 N -0.99 -0.04 -3.10 0.00 1.74 0.88 -4.06 116.66 111.10 2jot n ARG 5 Ca 0.22 -0.90 -0.41 0.00 -0.77 0.00 0.00 57.85 55.99 2jot n ARG 5 Cb 0.10 -1.12 -0.06 0.00 -1.02 0.00 0.00 32.46 30.36 2jot n ARG 5 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2jot s LEU 6 N -0.54 4.09 -0.31 0.55 1.43 -1.17 -4.88 118.68 117.84 2jot s LEU 6 Ca 0.08 0.77 -0.28 0.00 -1.03 0.00 0.00 54.13 53.66 2jot s LEU 6 Cb 0.05 -2.89 -0.04 0.00 0.03 0.00 0.00 46.19 43.35 2jot s LEU 6 CO 0.08 -0.35 2.06 -2.84 0.23 0.00 0.00 176.35 175.53 2jot s PRO 7 N 2.36 3.07 0.50 1.29 0.02 -1.26 -4.47 135.00 136.51 2jot s PRO 7 Ca 0.27 1.66 -0.05 0.00 0.02 0.00 0.00 61.00 62.90 2jot s PRO 7 Cb -0.16 -4.33 -0.03 0.00 0.02 0.00 0.00 34.50 30.00 2jot s PRO 7 CO 0.09 -2.17 0.81 -1.12 -0.33 0.00 0.00 177.00 174.28 2jot s SER 8 N 7.87 6.16 0.27 2.53 0.01 -1.26 -5.01 113.70 124.27 2jot s SER 8 Ca 0.91 0.91 0.11 0.00 1.31 0.00 0.00 55.95 59.18 2jot s SER 8 Cb -0.26 -2.17 -0.05 0.00 0.21 0.00 0.00 66.02 63.75 2jot s SER 8 CO 0.33 -0.67 -0.09 -0.62 0.41 0.00 0.00 173.24 172.60 2jot s ASP 9 N -4.14 4.13 0.00 2.44 2.15 -1.21 -5.04 116.67 115.00 2jot s ASP 9 Ca 0.49 -0.82 0.25 0.00 0.43 0.00 0.00 52.55 52.91 2jot s ASP 9 Cb -0.10 -0.61 0.59 0.00 -0.30 0.00 0.00 42.92 42.49 2jot s ASP 9 CO 0.45 0.01 1.46 -2.11 -0.17 0.00 0.00 175.17 174.82 2jot n ARG 10 N -0.78 0.44 -2.61 4.34 1.85 -1.26 -3.88 116.66 114.77 2jot n ARG 10 Ca -0.06 -0.27 -0.04 0.00 -1.00 0.00 0.00 57.85 56.49 2jot n ARG 10 Cb 0.59 -1.49 -0.03 0.00 -1.05 0.00 0.00 32.46 30.48 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 1.42 -4.36 0.03 2.89 0.00 0.15 0.13 105.19 105.45 2jot n GLY 11 Ca 0.09 1.17 0.05 0.00 0.00 0.00 0.00 46.02 47.32 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 1.89 0.03 0.00 1.61 0.63 -1.26 -3.00 116.66 116.57 2jot n ARG 12 Ca -0.27 0.42 0.00 0.00 -0.92 0.00 0.00 57.85 57.08 2jot n ARG 12 Cb 0.42 -1.58 0.00 0.00 0.45 0.00 0.00 32.46 31.74 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 -0.83 4.06 -1.54 0.00 5.02 -1.25 -5.00 118.16 118.62 2jot n LYS 14 Ca 0.00 -4.62 -0.37 0.00 -2.02 0.00 0.00 58.31 51.30 2jot n LYS 14 Cb 0.00 -2.33 -0.07 0.00 -0.02 0.00 0.00 35.03 32.61 2jot n LYS 14 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jot n ALA 15 N -0.23 0.64 -1.82 7.82 0.00 -1.21 -4.14 120.51 121.57 2jot n ALA 15 Ca 0.40 -0.78 -0.03 0.00 0.00 0.00 0.00 53.44 53.03 2jot n ALA 15 Cb 0.35 -2.95 -0.03 0.00 0.00 0.00 0.00 19.45 16.82 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 14.47 -0.52 -3.80 0.00 2.88 -1.25 -4.91 113.62 120.49 2jot n SER 16 Ca 0.46 -1.05 -0.09 0.00 -1.33 0.00 0.00 58.87 56.85 2jot n SER 16 Cb 0.40 0.17 -0.04 0.00 -0.75 0.00 0.00 64.21 63.98 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 0.01 -0.01 -0.03 0.66 0.08 -0.90 -5.01 117.98 112.77 2jot s PHE 17 Ca 0.00 -0.35 0.07 0.00 0.12 0.00 0.00 56.93 56.78 2jot s PHE 17 Cb 0.02 0.33 -0.02 0.00 -0.57 0.00 0.00 43.02 42.78 2jot s PHE 17 CO -0.01 -0.92 -0.25 -1.21 -0.10 0.00 0.00 175.22 172.74 2jot s GLU 18 N -3.90 2.28 0.28 0.44 2.02 -1.26 0.13 118.70 118.69 2jot s GLU 18 Ca 0.12 -0.90 0.00 0.00 0.02 0.00 0.00 54.97 54.21 2jot s GLU 18 Cb -0.01 -2.11 -0.02 0.00 0.10 0.00 0.00 34.13 32.09 2jot s GLU 18 CO -0.01 0.51 0.29 1.03 0.02 0.00 0.00 175.26 177.10 2jot s ARG 19 N -0.49 1.58 0.20 1.61 0.52 -0.96 -4.79 118.95 116.61 2jot s ARG 19 Ca 0.06 -1.76 0.10 0.00 -0.52 0.00 0.00 55.73 53.62 2jot s ARG 19 Cb -0.11 0.35 -0.04 0.00 0.52 0.00 0.00 34.95 35.66 2jot s ARG 19 CO 0.00 -0.59 -0.17 -1.58 0.02 0.00 0.00 175.30 172.98 2jot s TRP 20 N -3.66 2.44 -0.07 -0.53 0.52 0.31 -2.60 118.94 115.35 2jot s TRP 20 Ca 0.36 -0.30 -0.06 0.00 0.02 0.00 0.00 56.10 56.12 2jot s TRP 20 Cb 0.03 -1.18 0.02 0.00 -1.15 0.00 0.00 33.47 31.19 2jot s TRP 20 CO 0.19 0.53 0.18 1.52 0.02 0.00 0.00 176.95 179.39 2jot s TYR 21 N -1.80 -0.20 -0.85 -1.98 1.13 -1.11 0.12 117.35 112.66 2jot s TYR 21 Ca 0.24 0.48 -0.25 0.00 -1.41 0.00 0.00 57.07 56.12 2jot s TYR 21 Cb -0.08 0.07 0.02 0.00 -1.10 0.00 0.00 41.96 40.87 2jot s TYR 21 CO 0.13 -0.10 1.49 0.12 -2.51 0.00 0.00 175.55 174.67 2jot s PHE 22 N 0.07 2.26 -1.17 -3.49 2.19 -1.18 -1.28 117.98 115.38 2jot s PHE 22 Ca -0.00 -0.19 -0.17 0.00 0.33 0.00 0.00 56.93 56.89 2jot s PHE 22 Cb -0.01 -4.53 0.11 0.00 -1.31 0.00 0.00 43.02 37.27 2jot s PHE 22 CO 0.00 -2.01 1.51 0.54 1.83 0.00 0.00 175.22 177.08 2jot s ASN 23 N 5.19 6.83 0.00 6.13 2.20 0.21 -4.49 114.94 131.02 2jot s ASN 23 Ca 0.47 -2.42 0.00 0.00 -0.94 0.00 0.00 52.86 49.97 2jot s ASN 23 Cb -0.05 -2.49 0.00 0.00 -2.00 0.00 0.00 41.25 36.70 2jot s ASN 23 CO 0.04 -1.07 0.00 0.61 -2.94 0.00 0.00 177.10 173.74 2jot n GLY 24 N 5.22 1.51 0.00 0.45 0.00 -1.26 -3.23 105.19 107.88 2jot n GLY 24 Ca 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 -2.82 1.61 1.85 -1.26 -4.87 116.66 111.17 2jot n ARG 25 Ca 0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 57.85 56.59 2jot n ARG 25 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 2jot n ARG 25 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2jot s THR 26 N -0.93 4.56 -0.38 8.89 2.01 -1.20 -5.02 115.64 123.56 2jot s THR 26 Ca 0.00 -0.11 -0.16 0.00 0.31 0.00 0.00 61.69 61.73 2jot s THR 26 Cb 0.00 -3.72 0.01 0.00 0.01 0.00 0.00 72.50 68.80 2jot s THR 26 CO 0.00 -0.62 0.38 0.00 -0.69 0.00 0.00 174.62 173.69 2jot s ALA 28 N 2.00 4.02 -0.01 0.00 0.00 -0.41 -4.89 121.76 122.47 2jot s ALA 28 Ca 0.11 -1.80 -0.01 0.00 0.00 0.00 0.00 51.96 50.25 2jot s ALA 28 Cb -0.17 -1.86 0.00 0.00 0.00 0.00 0.00 23.12 21.10 2jot s ALA 28 CO 0.12 -1.20 0.03 0.21 0.00 0.00 0.00 175.76 174.92 2jot s LYS 29 N -4.96 0.03 0.33 0.00 2.20 -1.26 -2.74 119.74 113.33 2jot s LYS 29 Ca 0.64 0.05 -0.09 0.00 -0.36 0.00 0.00 55.97 56.20 2jot s LYS 29 Cb -0.06 0.00 0.01 0.00 -1.51 0.00 0.00 37.83 36.28 2jot s LYS 29 CO 0.42 -0.01 0.56 -0.59 -0.36 0.00 0.00 175.35 175.37 2jot s PHE 30 N 0.07 0.60 -0.64 4.03 -0.71 -1.07 -5.02 117.98 115.24 2jot s PHE 30 Ca -0.00 -0.98 -0.22 0.00 -1.04 0.00 0.00 56.93 54.69 2jot s PHE 30 Cb -0.01 0.25 0.08 0.00 -1.21 0.00 0.00 43.02 42.13 2jot s PHE 30 CO -0.00 -1.21 0.89 0.42 -1.34 0.00 0.00 175.22 173.98 2jot s ILE 31 N -3.16 4.45 -0.30 -4.49 -1.09 -1.26 -2.28 121.20 113.08 2jot s ILE 31 Ca 0.24 -0.49 -0.21 0.00 -2.23 0.00 0.00 60.65 57.95 2jot s ILE 31 Cb -0.02 -4.63 -0.01 0.00 -1.58 0.00 0.00 42.46 36.23 2jot s ILE 31 CO 0.15 -1.36 0.68 -0.47 -1.23 0.00 0.00 174.94 172.71 2jot s TYR 32 N 3.70 3.22 -0.05 3.97 5.04 0.34 -4.69 117.35 128.88 2jot s TYR 32 Ca 0.20 0.70 -0.14 0.00 -2.44 0.00 0.00 57.07 55.39 2jot s TYR 32 Cb -0.19 -3.03 -0.30 0.00 0.35 0.00 0.00 41.96 38.79 2jot s TYR 32 CO 0.10 -0.48 0.70 0.78 -1.34 0.00 0.00 175.55 175.31 2jot h GLY 33 N 9.21 0.42 0.00 8.97 0.00 0.11 -2.40 103.07 119.38 2jot h GLY 33 Ca -0.26 -1.06 0.00 0.00 0.00 0.00 0.00 47.33 46.01 2jot h GLY 33 CO 0.82 0.93 0.00 0.61 0.00 0.00 0.00 176.54 178.91 2jot n GLY 34 N 1.79 0.17 3.14 4.60 0.00 -1.14 -3.81 105.19 109.94 2jot n GLY 34 Ca -0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 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 3.83 -0.56 3.13 0.00 0.00 -1.25 0.34 105.19 110.69 2jot n GLY 36 Ca 0.06 -0.08 -0.17 0.00 0.00 0.00 0.00 46.02 45.82 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 1.48 -0.26 3.67 -0.02 0.00 -1.26 -3.35 105.19 105.45 2jot n GLY 37 Ca -0.46 0.05 -0.03 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.67 -0.17 0.00 1.61 3.84 -1.26 -4.92 114.94 110.37 2jot s ASN 38 Ca 0.26 -0.24 0.22 0.00 0.21 0.00 0.00 52.86 53.31 2jot s ASN 38 Cb -0.11 0.36 0.27 0.00 -0.55 0.00 0.00 41.25 41.22 2jot s ASN 38 CO 0.60 -0.65 1.27 0.61 -2.79 0.00 0.00 177.10 176.15 2jot n GLY 39 N -0.41 1.20 0.00 1.21 0.00 -1.26 -4.31 105.19 101.62 2jot n GLY 39 Ca -0.07 -0.66 0.12 0.00 0.00 0.00 0.00 46.02 45.41 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 1.31 0.41 -4.73 1.61 2.85 -1.24 -4.81 115.26 110.67 2jot n ASN 40 Ca 0.15 -0.09 -0.30 0.00 -0.11 0.00 0.00 54.58 54.24 2jot n ASN 40 Cb 0.57 0.10 0.14 0.00 1.24 0.00 0.00 39.78 41.82 2jot n ASN 40 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 2jot s LYS 41 N -3.01 1.29 -0.16 1.20 -0.14 -1.26 -3.07 119.74 114.59 2jot s LYS 41 Ca 0.11 0.77 -0.27 0.00 -1.36 0.00 0.00 55.97 55.23 2jot s LYS 41 Cb 0.18 -1.82 0.07 0.00 -1.68 0.00 0.00 37.83 34.58 2jot s LYS 41 CO 0.67 -2.20 0.68 -0.06 -0.76 0.00 0.00 175.35 173.68 2jot s PHE 42 N -2.97 -0.71 0.01 3.18 0.08 0.32 -4.89 117.98 113.01 2jot s PHE 42 Ca 0.63 1.50 -0.20 0.00 0.12 0.00 0.00 56.93 58.99 2jot s PHE 42 Cb -0.18 0.33 -0.21 0.00 -0.57 0.00 0.00 43.02 42.39 2jot s PHE 42 CO 0.57 -0.48 1.15 -1.00 -0.10 0.00 0.00 175.22 175.36 2jot h PRO 43 N 4.08 0.41 -4.96 0.24 0.13 -1.91 0.90 132.00 130.89 2jot h PRO 43 Ca -0.28 -0.39 -0.34 0.00 -0.87 0.00 0.00 66.00 64.13 2jot h PRO 43 Cb 1.15 0.10 -0.14 0.00 0.13 0.00 0.00 31.00 32.23 2jot h PRO 43 CO 0.22 1.04 -0.66 0.95 -0.23 0.00 0.00 178.00 179.32 2jot s THR 44 N -3.43 0.86 0.30 1.56 -4.23 -1.26 -4.30 115.64 105.15 2jot s THR 44 Ca -0.13 -2.01 0.01 0.00 -1.18 0.00 0.00 61.69 58.37 2jot s THR 44 Cb 0.04 -2.25 0.15 0.00 1.34 0.00 0.00 72.50 71.77 2jot s THR 44 CO 0.81 -0.38 1.83 -0.61 -0.54 0.00 0.00 174.62 175.73 2jot h GLN 45 N 2.57 0.69 0.00 3.99 4.15 -1.95 -2.01 115.11 122.54 2jot h GLN 45 Ca -0.38 -0.15 -0.03 0.00 0.77 0.00 0.00 58.65 58.86 2jot h GLN 45 Cb 1.22 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 28.81 2jot h GLN 45 CO 0.63 0.67 -0.13 1.05 -1.93 0.00 0.00 178.83 179.12 2jot h GLU 46 N 0.65 0.00 -0.29 1.69 4.11 -1.99 -2.29 114.58 116.47 2jot h GLU 46 Ca 0.14 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.40 2jot h GLU 46 Cb 0.35 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 2jot h GLU 46 CO 0.01 0.13 -0.49 0.00 0.07 0.00 0.00 179.01 178.74 2jot h ALA 47 N 1.87 0.59 0.05 1.06 0.00 -1.77 -2.06 119.26 119.00 2jot h ALA 47 Ca -0.00 -0.49 -0.19 0.00 0.00 0.00 0.00 54.91 54.22 2jot h ALA 47 Cb 0.46 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.17 2jot h ALA 47 CO 0.02 0.68 -0.79 0.00 0.00 0.00 0.00 179.25 179.16 2jot h MET 49 N -0.05 0.48 -0.01 0.00 2.07 -1.48 0.14 114.93 116.09 2jot h MET 49 Ca -0.11 -0.08 0.00 0.00 -2.07 0.00 0.00 59.70 57.44 2jot h MET 49 Cb 1.51 -0.08 0.00 0.00 -1.87 0.00 0.00 31.60 31.16 2jot h MET 49 CO 0.15 0.47 -0.28 1.17 1.07 0.00 0.00 176.91 179.49 2jot n LYS 50 N -4.33 0.75 -0.07 1.72 4.81 -0.77 0.11 118.16 120.38 2jot n LYS 50 Ca 0.02 -0.44 -0.07 0.00 -0.87 0.00 0.00 58.31 56.94 2jot n LYS 50 Cb 0.20 -1.49 -0.12 0.00 0.02 0.00 0.00 35.03 33.64 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 -0.74 1.59 0.00 1.64 5.12 -0.73 -3.38 116.66 120.16 2jot n ARG 51 Ca 0.12 -0.01 0.00 0.00 -1.93 0.00 0.00 57.85 56.03 2jot n ARG 51 Cb 0.35 -1.38 0.00 0.00 -1.16 0.00 0.00 32.46 30.27 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 0.00 0.64 0.00 0.00 0.00 -1.27 -3.38 119.26 115.25 2jot h ALA 53 Ca 0.00 -0.96 -0.21 0.00 0.00 0.00 0.00 54.91 53.74 2jot h ALA 53 Cb 0.81 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 2jot h ALA 53 CO 0.00 1.11 -1.80 1.17 0.00 0.00 0.00 179.25 179.73 2jot n LYS 54 N -3.07 2.06 0.00 0.00 0.00 0.31 -4.95 118.16 112.52 2jot n LYS 54 Ca -0.08 -0.00 0.16 0.00 0.00 0.00 0.00 58.31 58.38 2jot n LYS 54 Cb 0.90 -1.30 0.84 0.00 0.00 0.00 0.00 35.03 35.47 2jot n LYS 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40