#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jxt s THR 2 N 0.00 5.33 -0.02 12.58 2.01 -1.26 -0.61 115.64 133.67 1jxt s THR 2 Ca 0.00 0.44 0.03 0.00 0.31 0.00 0.00 61.69 62.47 1jxt s THR 2 Cb 0.00 -3.54 -0.00 0.00 0.01 0.00 0.00 72.50 68.97 1jxt s THR 2 CO 0.00 0.54 -0.09 0.00 -0.69 0.00 0.00 174.62 174.38 1jxt h PRO 5 N 4.47 0.00 -3.29 0.00 0.13 -1.80 -0.91 132.00 130.60 1jxt h PRO 5 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 1jxt h PRO 5 Cb 1.17 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.21 1jxt h PRO 5 CO 0.42 0.15 0.05 -1.54 -0.23 0.00 0.00 178.00 176.85 1jxt s SER 6 N -6.09 -0.23 0.12 1.44 1.04 -1.26 -4.65 113.70 104.06 1jxt s SER 6 Ca 0.03 -0.59 -0.23 0.00 0.48 0.00 0.00 55.95 55.64 1jxt s SER 6 Cb 0.08 0.62 -0.06 0.00 0.10 0.00 0.00 66.02 66.76 1jxt s SER 6 CO 0.63 -1.14 1.68 0.40 0.98 0.00 0.00 173.24 175.80 1jxt h ILE 7 N 2.16 0.68 -0.61 -1.02 1.08 -1.96 -2.13 117.51 115.71 1jxt h ILE 7 Ca -0.26 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.20 1jxt h ILE 7 Cb 1.26 0.68 -0.03 0.00 -3.07 0.00 0.00 36.82 35.66 1jxt h ILE 7 CO 0.33 0.00 0.33 0.58 -0.69 0.00 0.00 178.15 178.70 1jxt h VAL 8 N -0.17 1.19 -0.62 1.67 2.07 -1.99 0.18 116.25 118.58 1jxt h VAL 8 Ca 0.06 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 1jxt h VAL 8 Cb 0.26 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 1jxt h VAL 8 CO -0.16 0.21 0.35 0.00 0.02 0.00 0.00 177.57 177.99 1jxt h ALA 9 N 1.52 0.79 -0.50 1.67 0.00 -1.80 0.60 119.26 121.54 1jxt h ALA 9 Ca 0.22 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1jxt h ALA 9 Cb 0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1jxt h ALA 9 CO -0.03 0.29 0.22 -0.09 0.00 0.00 0.00 179.25 179.64 1jxt h ARG 10 N 0.84 0.74 -0.67 0.00 9.65 -0.72 0.68 114.38 124.89 1jxt h ARG 10 Ca 0.22 -0.12 0.00 0.00 -1.10 0.00 0.00 59.98 58.98 1jxt h ARG 10 Cb 0.02 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 28.44 1jxt h ARG 10 CO -0.04 0.63 0.44 0.77 2.80 0.00 0.00 179.97 184.57 1jxt h SER 11 N 0.67 0.78 0.98 -3.80 0.02 -0.57 0.05 113.55 111.68 1jxt h SER 11 Ca 0.17 -0.03 -0.12 0.00 -0.84 0.00 0.00 61.79 60.97 1jxt h SER 11 Cb 0.15 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 1jxt h SER 11 CO -0.02 0.58 -0.55 0.78 -1.14 0.00 0.00 176.83 176.48 1jxt h ASN 12 N 0.91 0.00 -0.48 3.07 2.35 -0.68 -2.26 115.58 118.50 1jxt h ASN 12 Ca 0.25 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 1jxt h ASN 12 Cb -0.08 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 1jxt h ASN 12 CO -0.05 0.55 0.31 0.15 -1.65 0.00 0.00 177.43 176.74 1jxt h PHE 13 N 0.00 0.60 -0.37 1.19 3.04 -0.23 -0.70 116.94 120.46 1jxt h PHE 13 Ca -0.01 0.01 -0.06 0.00 3.98 0.00 0.00 57.97 61.89 1jxt h PHE 13 Cb 1.19 -0.20 -0.02 0.00 2.56 0.00 0.00 35.95 39.48 1jxt h PHE 13 CO 0.00 0.39 -0.04 -0.91 -2.02 0.00 0.00 178.31 175.73 1jxt h ASN 14 N 0.64 0.58 -0.34 0.41 2.35 -0.75 -0.85 115.58 117.62 1jxt h ASN 14 Ca 0.17 -0.13 -0.05 0.00 -0.55 0.00 0.00 56.30 55.74 1jxt h ASN 14 Cb -0.06 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 1jxt h ASN 14 CO -0.04 0.68 0.01 0.58 -1.65 0.00 0.00 177.43 177.01 1jxt h VAL 15 N 0.57 1.26 -0.87 2.81 2.07 -1.20 -2.88 116.25 118.01 1jxt h VAL 15 Ca 0.11 -0.95 0.14 0.00 0.82 0.00 0.00 66.70 66.82 1jxt h VAL 15 Cb 0.42 1.20 -0.07 0.00 -1.52 0.00 0.00 31.29 31.32 1jxt h VAL 15 CO 0.02 0.31 0.56 0.00 0.02 0.00 0.00 177.57 178.48 1jxt h ARG 17 N 0.65 0.00 -0.73 0.00 2.47 -0.97 -3.33 114.38 112.47 1jxt h ARG 17 Ca 0.43 0.00 0.11 0.00 -1.26 0.00 0.00 59.98 59.26 1jxt h ARG 17 Cb 0.72 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 28.97 1jxt h ARG 17 CO -0.19 0.07 0.35 -0.07 0.56 0.00 0.00 179.97 180.69 1jxt h LEU 18 N 0.00 0.43 0.00 3.04 3.38 -1.13 0.20 115.31 121.23 1jxt h LEU 18 Ca -0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1jxt h LEU 18 Cb 0.73 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1jxt h LEU 18 CO 0.01 0.23 0.00 -0.81 0.09 0.00 0.00 178.44 177.96 1jxt n PRO 19 N -4.89 0.23 0.00 1.13 -0.04 -1.26 -4.87 135.00 125.30 1jxt n PRO 19 Ca 0.12 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 1jxt n PRO 19 Cb 0.31 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 1jxt n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jxt n GLY 20 N 0.73 1.01 3.59 0.55 0.00 0.70 -5.07 105.19 106.70 1jxt n GLY 20 Ca 0.09 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.64 1jxt n GLY 20 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1jxt n THR 21 N -1.60 1.05 0.00 2.61 -1.04 -1.25 -2.74 114.28 111.30 1jxt n THR 21 Ca 0.00 -0.26 0.00 0.00 -2.04 0.00 0.00 64.05 61.75 1jxt n THR 21 Cb 0.00 -0.92 0.00 0.00 -1.82 0.00 0.00 70.33 67.59 1jxt n THR 21 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1jxt n SER 22 N 1.93 0.00 0.00 8.00 2.88 -1.26 -2.95 113.62 122.22 1jxt n SER 22 Ca 0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 1jxt n SER 22 Cb 0.26 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 1jxt n SER 22 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1jxt n PRO 22 N -0.82 0.00 -0.25 -1.46 -0.02 -1.11 -1.64 135.00 129.71 1jxt n PRO 22 Ca 0.00 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.61 1jxt n PRO 22 Cb 0.00 0.00 0.41 0.00 -0.02 0.00 0.00 33.50 33.89 1jxt n PRO 22 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1jxt h GLU 23 N 0.00 0.61 -0.47 -0.52 5.08 -1.87 -1.54 114.58 115.87 1jxt h GLU 23 Ca 0.00 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 1jxt h GLU 23 Cb 0.00 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 1jxt h GLU 23 CO 0.00 0.40 -0.01 0.00 -1.00 0.00 0.00 179.01 178.40 1jxt h ALA 24 N 1.61 1.10 0.00 3.43 0.00 -1.73 0.18 119.26 123.85 1jxt h ALA 24 Ca 0.43 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1jxt h ALA 24 Cb 0.76 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1jxt h ALA 24 CO -0.19 0.57 0.00 0.44 0.00 0.00 0.00 179.25 180.07 1jxt n ILE 25 N -4.21 0.00 0.00 0.00 -5.35 -0.77 -2.36 119.36 106.68 1jxt n ILE 25 Ca 0.02 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.50 1jxt n ILE 25 Cb 0.30 -0.72 0.00 0.00 -1.74 0.00 0.00 39.64 37.49 1jxt n ILE 25 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1jxt n LEU 25 N -1.00 0.00 0.23 7.28 4.77 -0.77 -1.31 117.00 126.20 1jxt n LEU 25 Ca 0.14 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.17 1jxt n LEU 25 Cb 0.06 0.00 0.52 0.00 -2.33 0.00 0.00 43.42 41.67 1jxt n LEU 25 CO 0.10 0.00 0.90 0.00 -1.33 0.00 0.00 177.39 177.06 1jxt h ALA 27 N 1.81 -0.46 0.00 0.00 0.00 -0.40 -1.89 119.26 118.33 1jxt h ALA 27 Ca -0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1jxt h ALA 27 Cb 0.34 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1jxt h ALA 27 CO 0.02 -0.65 -0.19 1.79 0.00 0.00 0.00 179.25 180.23 1jxt h THR 28 N -0.69 0.78 -0.17 0.00 1.35 -1.36 0.14 112.91 112.97 1jxt h THR 28 Ca -0.05 -0.75 -0.10 0.00 -0.55 0.00 0.00 66.41 64.96 1jxt h THR 28 Cb 0.48 1.45 -0.01 0.00 -1.73 0.00 0.00 68.15 68.34 1jxt h THR 28 CO 0.08 0.18 -0.35 0.22 -0.25 0.00 0.00 175.52 175.40 1jxt h TYR 29 N 0.00 0.41 0.01 4.73 5.03 0.13 -3.36 116.97 123.92 1jxt h TYR 29 Ca -0.00 -0.10 -0.36 0.00 2.58 0.00 0.00 58.73 60.84 1jxt h TYR 29 Cb 0.44 -0.09 -0.06 0.00 1.55 0.00 0.00 36.73 38.56 1jxt h TYR 29 CO 0.00 0.67 -2.29 0.25 -1.32 0.00 0.00 178.16 175.46 1jxt n THR 30 N -4.07 1.47 -0.33 1.81 -2.24 -0.72 -5.00 114.28 105.20 1jxt n THR 30 Ca -0.01 -0.77 0.00 0.00 -2.27 0.00 0.00 64.05 61.00 1jxt n THR 30 Cb 0.45 -0.85 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 1jxt n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jxt n GLY 31 N 1.86 0.87 3.61 3.38 0.00 0.46 -4.80 105.19 110.57 1jxt n GLY 31 Ca -0.34 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 1jxt n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jxt s ILE 33 N -2.78 0.62 -0.14 0.00 -4.36 0.29 -4.41 121.20 110.40 1jxt s ILE 33 Ca 0.66 -1.70 -0.01 0.00 -0.26 0.00 0.00 60.65 59.35 1jxt s ILE 33 Cb -0.21 -1.38 -0.02 0.00 1.25 0.00 0.00 42.46 42.10 1jxt s ILE 33 CO 0.60 -0.75 -0.11 -0.63 0.24 0.00 0.00 174.94 174.28 1jxt s ILE 34 N -3.05 3.16 0.16 8.37 -1.09 -1.26 -1.05 121.20 126.43 1jxt s ILE 34 Ca 0.06 -0.62 0.08 0.00 -2.23 0.00 0.00 60.65 57.94 1jxt s ILE 34 Cb 0.01 -2.34 -0.04 0.00 -1.58 0.00 0.00 42.46 38.51 1jxt s ILE 34 CO -0.04 0.51 -0.18 0.27 -1.23 0.00 0.00 174.94 174.28 1jxt s ILE 35 N 0.46 1.76 -0.07 2.92 -4.36 0.22 -4.96 121.20 117.17 1jxt s ILE 35 Ca -0.09 -1.89 0.16 0.00 -0.26 0.00 0.00 60.65 58.58 1jxt s ILE 35 Cb -0.16 -1.81 0.09 0.00 1.25 0.00 0.00 42.46 41.84 1jxt s ILE 35 CO 0.04 -0.33 1.53 1.55 0.24 0.00 0.00 174.94 177.98 1jxt h PRO 36 N 3.29 0.00 0.00 0.37 0.13 -2.01 -0.54 132.00 133.24 1jxt h PRO 36 Ca -0.42 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.61 1jxt h PRO 36 Cb 1.20 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.37 1jxt h PRO 36 CO 0.51 0.46 0.07 0.41 -0.23 0.00 0.00 178.00 179.22 1jxt n GLY 37 N 0.95 -0.63 0.24 1.56 0.00 -1.26 -4.73 105.19 101.32 1jxt n GLY 37 Ca 0.01 -1.77 0.03 0.00 0.00 0.00 0.00 46.02 44.30 1jxt n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jxt n ALA 38 N -3.13 2.41 -3.71 4.61 0.00 -1.26 -4.07 120.51 115.35 1jxt n ALA 38 Ca -0.05 -0.65 -0.20 0.00 0.00 0.00 0.00 53.44 52.55 1jxt n ALA 38 Cb 0.13 -0.19 -0.17 0.00 0.00 0.00 0.00 19.45 19.22 1jxt n ALA 38 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1jxt s THR 39 N -0.57 0.20 0.40 0.00 2.01 -1.26 -5.07 115.64 111.35 1jxt s THR 39 Ca 0.08 0.15 -0.25 0.00 0.31 0.00 0.00 61.69 61.97 1jxt s THR 39 Cb 0.05 -0.35 -0.08 0.00 0.01 0.00 0.00 72.50 72.13 1jxt s THR 39 CO 0.07 0.19 1.20 0.00 -0.69 0.00 0.00 174.62 175.39 1jxt s PRO 41 N -2.26 2.45 0.57 0.00 0.04 -1.26 -4.91 135.00 129.63 1jxt s PRO 41 Ca 0.57 0.40 0.26 0.00 0.04 0.00 0.00 61.00 62.26 1jxt s PRO 41 Cb -0.32 -1.98 1.65 0.00 0.04 0.00 0.00 34.50 33.89 1jxt s PRO 41 CO 0.41 -1.31 2.22 0.78 0.04 0.00 0.00 177.00 179.14 1jxt h GLY 42 N -0.85 0.00 -0.26 0.56 0.00 -1.99 -0.73 103.07 99.81 1jxt h GLY 42 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1jxt h GLY 42 CO 0.64 0.00 -0.01 2.09 0.00 0.00 0.00 176.54 179.26 1jxt n ASP 43 N -4.04 1.29 -3.04 0.19 5.75 -1.26 -4.01 116.55 111.44 1jxt n ASP 43 Ca -0.03 -1.42 -0.20 0.00 -0.01 0.00 0.00 54.79 53.13 1jxt n ASP 43 Cb 0.09 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.16 1jxt n ASP 43 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1jxt n TYR 44 N 0.00 1.57 1.10 2.11 4.02 -0.29 -4.53 117.16 121.15 1jxt n TYR 44 Ca 0.19 -3.76 0.13 0.00 -0.01 0.00 0.00 57.90 54.45 1jxt n TYR 44 Cb 0.32 -0.42 0.42 0.00 -0.02 0.00 0.00 39.34 39.64 1jxt n TYR 44 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1jxt n ALA 45 N 0.06 3.06 0.42 -0.72 0.00 -1.07 -3.87 120.51 118.39 1jxt n ALA 45 Ca 0.26 -0.28 0.05 0.00 0.00 0.00 0.00 53.44 53.47 1jxt n ALA 45 Cb 0.59 -1.25 0.04 0.00 0.00 0.00 0.00 19.45 18.84 1jxt n ALA 45 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59