#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 2.69 0.17 9.51 8.00 -1.26 -4.51 116.55 131.16 2jot n ASP 2 Ca 0.00 -0.08 0.16 0.00 0.71 0.00 0.00 54.79 55.58 2jot n ASP 2 Cb 0.00 -0.13 0.76 0.00 -0.02 0.00 0.00 41.12 41.73 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 0.65 0.00 -3.53 2.02 -1.95 0.16 112.91 110.25 2jot h THR 3 Ca -0.35 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.83 2jot h THR 3 Cb 1.57 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 68.83 2jot h THR 3 CO -0.05 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.84 2jot n ARG 5 N -1.58 0.63 -4.12 0.00 1.74 0.54 -4.22 116.66 109.66 2jot n ARG 5 Ca 0.04 0.05 -0.35 0.00 -0.77 0.00 0.00 57.85 56.82 2jot n ARG 5 Cb 0.19 -1.72 -0.07 0.00 -1.02 0.00 0.00 32.46 29.83 2jot n ARG 5 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 2jot s LEU 6 N -5.25 3.97 0.58 0.55 2.34 -1.01 -4.90 118.68 114.95 2jot s LEU 6 Ca -0.04 0.26 -0.09 0.00 0.06 0.00 0.00 54.13 54.33 2jot s LEU 6 Cb 0.10 -2.05 -0.03 0.00 -0.56 0.00 0.00 46.19 43.64 2jot s LEU 6 CO 0.83 0.36 0.95 -2.16 -1.06 0.00 0.00 176.35 175.26 2jot s PRO 7 N -1.20 3.52 0.13 1.48 0.04 -1.26 -4.55 135.00 133.15 2jot s PRO 7 Ca 0.17 0.52 0.06 0.00 0.04 0.00 0.00 61.00 61.79 2jot s PRO 7 Cb -0.12 -2.18 -0.04 0.00 0.04 0.00 0.00 34.50 32.20 2jot s PRO 7 CO 0.07 -0.48 -0.01 0.45 0.04 0.00 0.00 177.00 177.06 2jot s SER 8 N -4.17 4.84 0.00 6.66 0.15 -1.26 -4.75 113.70 115.17 2jot s SER 8 Ca 0.53 -0.29 -0.08 0.00 0.70 0.00 0.00 55.95 56.81 2jot s SER 8 Cb -0.11 -1.07 -0.05 0.00 -1.71 0.00 0.00 66.02 63.08 2jot s SER 8 CO 0.50 0.14 0.29 -0.62 1.20 0.00 0.00 173.24 174.75 2jot s ASP 9 N -2.54 6.53 0.00 5.45 -1.08 -1.19 -4.95 116.67 118.89 2jot s ASP 9 Ca 0.26 0.62 0.27 0.00 -0.52 0.00 0.00 52.55 53.18 2jot s ASP 9 Cb -0.11 -2.11 0.95 0.00 -1.46 0.00 0.00 42.92 40.19 2jot s ASP 9 CO 0.18 0.27 1.69 -2.11 0.52 0.00 0.00 175.17 175.71 2jot n ARG 10 N 1.25 1.54 -2.92 4.34 1.85 -1.26 -3.56 116.66 117.90 2jot n ARG 10 Ca -0.12 -0.93 -0.01 0.00 -1.00 0.00 0.00 57.85 55.79 2jot n ARG 10 Cb 0.53 -1.48 -0.01 0.00 -1.05 0.00 0.00 32.46 30.45 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 1.21 -2.20 0.26 2.89 0.00 0.10 0.09 105.19 107.54 2jot n GLY 11 Ca 0.17 0.55 0.17 0.00 0.00 0.00 0.00 46.02 46.92 2jot n GLY 11 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2jot h ARG 12 N 4.06 0.00 0.00 1.61 9.65 -1.88 -2.81 114.38 125.00 2jot h ARG 12 Ca -0.14 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.74 2jot h ARG 12 Cb 0.58 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.16 2jot h ARG 12 CO 0.02 0.00 0.00 0.00 2.80 0.00 0.00 179.97 182.79 2jot n LYS 14 N -0.23 3.14 -1.49 0.00 4.01 -1.25 -5.01 118.16 117.32 2jot n LYS 14 Ca 0.00 -3.84 -0.42 0.00 -0.51 0.00 0.00 58.31 53.53 2jot n LYS 14 Cb 0.00 -2.28 -0.10 0.00 -0.51 0.00 0.00 35.03 32.14 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 -0.70 0.55 0.00 7.82 0.00 -1.20 -4.06 120.51 122.92 2jot n ALA 15 Ca 0.51 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2jot n ALA 15 Cb 0.69 -2.58 0.00 0.00 0.00 0.00 0.00 19.45 17.56 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 11.81 0.00 -4.42 0.00 2.88 -1.26 -4.83 113.62 117.81 2jot n SER 16 Ca 0.53 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.71 2jot n SER 16 Cb 0.21 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.54 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 -0.54 3.07 0.10 0.66 0.08 -1.20 -4.92 117.98 115.22 2jot s PHE 17 Ca 0.00 -0.53 -0.31 0.00 0.12 0.00 0.00 56.93 56.21 2jot s PHE 17 Cb 0.00 -2.22 -0.07 0.00 -0.57 0.00 0.00 43.02 40.16 2jot s PHE 17 CO 0.00 -0.40 1.31 -1.21 -0.10 0.00 0.00 175.22 174.82 2jot s GLU 18 N 1.59 4.37 0.34 0.44 2.02 -1.26 0.17 118.70 126.37 2jot s GLU 18 Ca 0.06 1.95 0.04 0.00 0.02 0.00 0.00 54.97 57.04 2jot s GLU 18 Cb -0.15 -3.28 -0.04 0.00 0.10 0.00 0.00 34.13 30.76 2jot s GLU 18 CO 0.02 -0.35 0.14 1.03 0.02 0.00 0.00 175.26 176.13 2jot s ARG 19 N 0.98 1.71 0.33 1.61 1.81 0.21 -4.82 118.95 120.78 2jot s ARG 19 Ca 0.62 -2.00 0.10 0.00 -1.72 0.00 0.00 55.73 52.73 2jot s ARG 19 Cb -0.34 -0.34 -0.06 0.00 -0.45 0.00 0.00 34.95 33.76 2jot s ARG 19 CO 0.30 -0.43 -0.10 -1.58 -0.68 0.00 0.00 175.30 172.82 2jot s TRP 20 N -3.44 2.42 0.23 -0.53 0.52 0.23 -1.28 118.94 117.10 2jot s TRP 20 Ca 0.32 -0.44 -0.13 0.00 0.02 0.00 0.00 56.10 55.87 2jot s TRP 20 Cb 0.05 -1.31 0.00 0.00 -1.15 0.00 0.00 33.47 31.06 2jot s TRP 20 CO 0.17 0.60 0.48 1.52 0.02 0.00 0.00 176.95 179.73 2jot s TYR 21 N -2.56 0.27 -0.66 -1.98 1.13 -0.58 0.16 117.35 113.13 2jot s TYR 21 Ca 0.32 -0.64 -0.15 0.00 -1.41 0.00 0.00 57.07 55.19 2jot s TYR 21 Cb -0.00 0.22 0.16 0.00 -1.10 0.00 0.00 41.96 41.24 2jot s TYR 21 CO 0.17 -0.97 0.62 0.12 -2.51 0.00 0.00 175.55 172.98 2jot s PHE 22 N -3.99 3.44 -1.46 -3.49 2.19 -1.12 -2.02 117.98 111.53 2jot s PHE 22 Ca 0.19 -1.56 -0.10 0.00 0.33 0.00 0.00 56.93 55.80 2jot s PHE 22 Cb -0.01 -3.82 0.03 0.00 -1.31 0.00 0.00 43.02 37.92 2jot s PHE 22 CO 0.06 -1.02 2.50 -1.71 1.83 0.00 0.00 175.22 176.88 2jot n ASN 23 N 4.79 6.96 0.00 6.13 5.15 0.23 -4.70 115.26 133.82 2jot n ASN 23 Ca -0.03 -2.85 0.00 0.00 -0.60 0.00 0.00 54.58 51.10 2jot n ASN 23 Cb 0.43 -1.52 0.00 0.00 -0.53 0.00 0.00 39.78 38.16 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 3.11 2.38 0.02 8.20 0.00 -1.26 -3.27 105.19 114.37 2jot n GLY 24 Ca 0.63 -0.02 -0.02 0.00 0.00 0.00 0.00 46.02 46.61 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 3.24 -4.18 1.61 0.00 -1.26 -4.93 116.66 111.14 2jot n ARG 25 Ca 0.00 -0.00 -0.33 0.00 -0.00 0.00 0.00 57.85 57.52 2jot n ARG 25 Cb 0.00 -1.10 -0.08 0.00 -0.00 0.00 0.00 32.46 31.28 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 -2.10 4.47 -0.48 8.89 2.01 -1.20 -5.08 115.64 122.15 2jot s THR 26 Ca -0.02 -0.49 -0.21 0.00 0.31 0.00 0.00 61.69 61.28 2jot s THR 26 Cb 0.01 -3.02 0.04 0.00 0.01 0.00 0.00 72.50 69.54 2jot s THR 26 CO 0.16 0.37 0.71 0.00 -0.69 0.00 0.00 174.62 175.17 2jot s ALA 28 N 3.02 3.46 0.01 0.00 0.00 -0.86 -4.85 121.76 122.55 2jot s ALA 28 Ca 0.23 -1.59 -0.06 0.00 0.00 0.00 0.00 51.96 50.54 2jot s ALA 28 Cb -0.15 -2.16 -0.00 0.00 0.00 0.00 0.00 23.12 20.81 2jot s ALA 28 CO 0.17 -1.57 0.11 -1.59 0.00 0.00 0.00 175.76 172.88 2jot s LYS 29 N -5.24 0.48 0.35 0.00 -2.85 -1.26 -1.53 119.74 109.69 2jot s LYS 29 Ca 0.67 -0.51 -0.17 0.00 -1.00 0.00 0.00 55.97 54.96 2jot s LYS 29 Cb -0.06 0.20 0.04 0.00 -2.06 0.00 0.00 37.83 35.95 2jot s LYS 29 CO 0.45 -0.11 0.76 -0.59 0.10 0.00 0.00 175.35 175.96 2jot s PHE 30 N -1.66 0.05 -0.48 1.78 -0.12 -0.41 -4.98 117.98 112.17 2jot s PHE 30 Ca -0.13 -0.65 -0.22 0.00 -0.05 0.00 0.00 56.93 55.88 2jot s PHE 30 Cb -0.07 0.78 0.03 0.00 -0.63 0.00 0.00 43.02 43.13 2jot s PHE 30 CO -0.00 -1.46 0.77 0.42 -0.05 0.00 0.00 175.22 174.90 2jot s ILE 31 N -2.82 4.66 -0.49 -4.49 1.01 -1.26 0.67 121.20 118.47 2jot s ILE 31 Ca 0.15 0.20 -0.23 0.00 0.00 0.00 0.00 60.65 60.77 2jot s ILE 31 Cb -0.05 -4.34 0.04 0.00 0.01 0.00 0.00 42.46 38.11 2jot s ILE 31 CO 0.10 -0.79 0.80 -0.47 0.00 0.00 0.00 174.94 174.58 2jot s TYR 32 N 3.24 2.94 -0.02 3.97 5.04 0.44 -4.59 117.35 128.37 2jot s TYR 32 Ca 0.26 -0.02 0.15 0.00 -2.44 0.00 0.00 57.07 55.03 2jot s TYR 32 Cb -0.14 -3.75 0.24 0.00 0.35 0.00 0.00 41.96 38.66 2jot s TYR 32 CO 0.20 -1.10 1.52 0.78 -1.34 0.00 0.00 175.55 175.61 2jot h GLY 33 N 10.31 0.00 0.00 8.97 0.00 -0.07 -3.18 103.07 119.09 2jot h GLY 33 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.07 2jot h GLY 33 CO 1.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 178.15 2jot n GLY 34 N 0.91 -0.01 3.10 4.60 0.00 -1.26 -4.06 105.19 108.47 2jot n GLY 34 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 2.45 -0.54 3.27 0.00 0.00 -1.23 -0.72 105.19 108.41 2jot n GLY 36 Ca 0.20 -0.17 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 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 1.34 -0.33 3.56 -0.02 0.00 -1.26 -3.18 105.19 105.31 2jot n GLY 37 Ca -0.40 0.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.62 -0.32 0.00 1.61 3.84 -1.26 -4.89 114.94 110.30 2jot s ASN 38 Ca 0.33 0.23 0.26 0.00 0.21 0.00 0.00 52.86 53.89 2jot s ASN 38 Cb -0.14 0.29 1.13 0.00 -0.55 0.00 0.00 41.25 41.97 2jot s ASN 38 CO 0.64 -0.38 1.78 0.61 -2.79 0.00 0.00 177.10 176.96 2jot n GLY 39 N 0.38 -0.19 0.42 1.21 0.00 -1.26 -3.74 105.19 102.02 2jot n GLY 39 Ca -0.08 -0.37 0.14 0.00 0.00 0.00 0.00 46.02 45.71 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 1.31 -4.57 1.61 2.85 -1.26 -4.80 115.26 110.33 2jot n ASN 40 Ca 0.19 -1.45 -0.41 0.00 -0.11 0.00 0.00 54.58 52.80 2jot n ASN 40 Cb 0.28 -0.00 -0.08 0.00 1.24 0.00 0.00 39.78 41.21 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 -1.99 3.71 0.20 1.20 -2.85 -1.24 -2.78 119.74 115.98 2jot s LYS 41 Ca 0.39 -0.16 0.09 0.00 -1.00 0.00 0.00 55.97 55.29 2jot s LYS 41 Cb 0.21 -3.77 -0.04 0.00 -2.06 0.00 0.00 37.83 32.17 2jot s LYS 41 CO 0.34 -0.53 -0.10 -0.06 0.10 0.00 0.00 175.35 175.10 2jot s PHE 42 N 2.23 2.60 -0.01 1.78 0.08 0.42 -4.98 117.98 120.10 2jot s PHE 42 Ca 0.16 -0.24 -0.23 0.00 0.12 0.00 0.00 56.93 56.75 2jot s PHE 42 Cb -0.16 -1.24 -0.14 0.00 -0.57 0.00 0.00 43.02 40.90 2jot s PHE 42 CO 0.12 0.54 1.01 -1.35 -0.10 0.00 0.00 175.22 175.44 2jot h PRO 43 N 2.73 -0.49 -5.76 0.24 0.11 -1.95 0.67 132.00 127.56 2jot h PRO 43 Ca -0.46 0.03 -0.60 0.00 0.11 0.00 0.00 66.00 65.08 2jot h PRO 43 Cb 1.21 0.11 -0.11 0.00 0.11 0.00 0.00 31.00 32.33 2jot h PRO 43 CO 0.55 -0.18 -0.56 0.95 -0.21 0.00 0.00 178.00 178.55 2jot s THR 44 N -4.14 2.13 0.32 -1.15 -4.23 -1.26 -3.23 115.64 104.08 2jot s THR 44 Ca -0.13 -1.87 0.17 0.00 -1.18 0.00 0.00 61.69 58.68 2jot s THR 44 Cb 0.01 -3.00 0.13 0.00 1.34 0.00 0.00 72.50 70.99 2jot s THR 44 CO 0.44 -0.00 1.83 -0.61 -0.54 0.00 0.00 174.62 175.74 2jot h GLN 45 N 1.63 0.00 0.00 3.99 4.15 -1.95 -2.53 115.11 120.40 2jot h GLN 45 Ca -0.43 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 58.90 2jot h GLN 45 Cb 1.25 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.92 2jot h GLN 45 CO 0.76 0.34 -0.40 1.49 -1.93 0.00 0.00 178.83 179.10 2jot h GLU 46 N 0.00 0.00 0.04 1.69 4.81 -1.98 -2.95 114.58 116.19 2jot h GLU 46 Ca -0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2jot h GLU 46 Cb 0.69 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.07 2jot h GLU 46 CO 0.04 0.40 -0.02 0.00 -0.73 0.00 0.00 179.01 178.71 2jot h ALA 47 N 1.60 -0.06 -0.80 2.92 0.00 -1.85 0.16 119.26 121.23 2jot h ALA 47 Ca -0.00 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.71 2jot h ALA 47 Cb 0.88 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 2jot h ALA 47 CO 0.05 -0.33 0.53 0.00 0.00 0.00 0.00 179.25 179.51 2jot h MET 49 N 1.08 0.00 0.00 0.00 -1.53 -1.53 -0.41 114.93 112.55 2jot h MET 49 Ca 0.30 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.56 2jot h MET 49 Cb -0.12 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 30.93 2jot h MET 49 CO -0.07 0.39 -0.66 1.17 0.14 0.00 0.00 176.91 177.88 2jot n LYS 50 N -3.34 0.19 -0.01 0.39 4.81 0.56 -1.78 118.16 118.98 2jot n LYS 50 Ca 0.01 0.04 0.06 0.00 -0.87 0.00 0.00 58.31 57.55 2jot n LYS 50 Cb 0.60 -1.60 -0.09 0.00 0.02 0.00 0.00 35.03 33.96 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 -1.86 0.53 -0.01 1.64 5.12 0.13 -4.13 116.66 118.07 2jot n ARG 51 Ca 0.04 -0.10 -0.01 0.00 -1.93 0.00 0.00 57.85 55.84 2jot n ARG 51 Cb 0.40 -1.27 -0.01 0.00 -1.16 0.00 0.00 32.46 30.42 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 0.05 0.64 0.01 0.00 0.00 -1.42 -3.36 119.26 115.17 2jot h ALA 53 Ca -0.05 -0.68 -0.38 0.00 0.00 0.00 0.00 54.91 53.80 2jot h ALA 53 Cb 1.10 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.90 2jot h ALA 53 CO -0.00 0.83 -2.39 1.63 0.00 0.00 0.00 179.25 179.31 2jot n LYS 54 N -3.09 0.67 0.00 0.00 5.02 -0.94 -4.99 118.16 114.83 2jot n LYS 54 Ca -0.03 0.12 0.09 0.00 -2.02 0.00 0.00 58.31 56.46 2jot n LYS 54 Cb 0.81 -1.54 0.07 0.00 -0.02 0.00 0.00 35.03 34.34 2jot n LYS 54 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88