#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cxr s THR 2 N 0.00 0.01 -0.35 4.28 2.01 -1.26 -4.34 115.64 116.00 1cxr s THR 2 Ca 0.00 -0.09 -0.12 0.00 0.31 0.00 0.00 61.69 61.79 1cxr s THR 2 Cb 0.00 -0.04 -0.00 0.00 0.01 0.00 0.00 72.50 72.47 1cxr s THR 2 CO 0.00 -0.05 0.21 0.00 -0.69 0.00 0.00 174.62 174.09 1cxr h PRO 5 N 3.93 0.00 0.00 0.00 0.13 -1.90 -3.33 132.00 130.83 1cxr h PRO 5 Ca -0.44 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.27 1cxr h PRO 5 Cb 1.19 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.25 1cxr h PRO 5 CO 0.42 0.51 -2.50 0.43 -0.23 0.00 0.00 178.00 176.63 1cxr n SER 6 N -3.47 1.97 0.00 1.44 7.64 -1.26 -4.92 113.62 115.02 1cxr n SER 6 Ca 0.00 0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1cxr n SER 6 Cb 0.63 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 1cxr n SER 6 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1cxr n ILE 7 N -3.57 0.00 0.11 0.44 0.13 -1.25 -4.76 119.36 110.46 1cxr n ILE 7 Ca -0.49 0.00 0.06 0.00 -1.10 0.00 0.00 62.75 61.22 1cxr n ILE 7 Cb 0.96 0.00 0.01 0.00 -0.84 0.00 0.00 39.64 39.77 1cxr n ILE 7 CO 0.00 0.00 0.00 0.58 2.80 0.00 0.00 176.55 179.93 1cxr h VAL 8 N 0.00 0.34 0.00 9.51 2.07 -1.93 -3.21 116.25 123.02 1cxr h VAL 8 Ca 0.00 -1.57 0.00 0.00 0.82 0.00 0.00 66.70 65.95 1cxr h VAL 8 Cb 0.00 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 1cxr h VAL 8 CO 0.00 0.19 0.00 0.00 0.02 0.00 0.00 177.57 177.78 1cxr h ALA 9 N 1.71 1.00 -0.62 1.67 0.00 -1.96 -2.49 119.26 118.57 1cxr h ALA 9 Ca -0.05 0.00 0.14 0.00 0.00 0.00 0.00 54.91 54.99 1cxr h ALA 9 Cb 1.26 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 1cxr h ALA 9 CO 0.03 0.00 0.42 -0.09 0.00 0.00 0.00 179.25 179.61 1cxr h ARG 10 N 0.00 0.25 -0.58 0.00 9.65 -1.96 0.25 114.38 121.99 1cxr h ARG 10 Ca 0.00 -0.01 0.04 0.00 -1.10 0.00 0.00 59.98 58.91 1cxr h ARG 10 Cb 0.27 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.76 1cxr h ARG 10 CO 0.00 0.16 0.38 0.66 2.80 0.00 0.00 179.97 183.97 1cxr h SER 11 N 0.25 0.54 0.55 -3.80 4.64 -1.70 0.50 113.55 114.53 1cxr h SER 11 Ca 0.30 -0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.32 1cxr h SER 11 Cb 0.82 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1cxr h SER 11 CO -0.06 0.36 -1.36 0.78 -0.87 0.00 0.00 176.83 175.68 1cxr h ASN 12 N 0.62 0.44 0.77 4.97 4.21 -0.78 -3.24 115.58 122.56 1cxr h ASN 12 Ca 0.24 -0.51 -0.04 0.00 1.21 0.00 0.00 56.30 57.20 1cxr h ASN 12 Cb 0.17 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 37.22 1cxr h ASN 12 CO -0.07 1.41 -0.18 0.15 -1.29 0.00 0.00 177.43 177.46 1cxr h PHE 13 N 0.08 0.00 0.00 1.19 3.04 0.02 -2.25 116.94 119.02 1cxr h PHE 13 Ca -0.18 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.75 1cxr h PHE 13 Cb 2.00 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 40.51 1cxr h PHE 13 CO 0.07 0.18 -0.08 -0.91 -2.02 0.00 0.00 178.31 175.54 1cxr h ASN 14 N 0.00 0.00 0.14 0.41 2.35 -0.07 -0.24 115.58 118.17 1cxr h ASN 14 Ca -0.00 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 1cxr h ASN 14 Cb 0.61 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.97 1cxr h ASN 14 CO 0.02 0.08 -0.27 0.58 -1.65 0.00 0.00 177.43 176.19 1cxr h VAL 15 N 0.00 1.25 0.10 2.81 2.07 -1.54 0.18 116.25 121.11 1cxr h VAL 15 Ca -0.00 -1.16 -0.27 0.00 0.82 0.00 0.00 66.70 66.09 1cxr h VAL 15 Cb 0.24 1.46 0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1cxr h VAL 15 CO 0.01 0.35 -1.17 0.00 0.02 0.00 0.00 177.57 176.78 1cxr h ARG 17 N 0.18 0.83 -7.38 0.00 3.08 -0.87 -3.38 114.38 106.84 1cxr h ARG 17 Ca -0.14 -0.27 -0.51 0.00 0.07 0.00 0.00 59.98 59.13 1cxr h ARG 17 Cb 1.85 -0.07 0.07 0.00 0.08 0.00 0.00 29.97 31.90 1cxr h ARG 17 CO 0.21 0.89 0.41 -0.51 -1.07 0.00 0.00 179.97 179.89 1cxr s LEU 18 N -9.08 3.11 0.00 3.04 1.02 0.60 -4.93 118.68 112.44 1cxr s LEU 18 Ca -0.10 1.39 0.23 0.00 0.02 0.00 0.00 54.13 55.68 1cxr s LEU 18 Cb 0.14 -4.33 1.30 0.00 0.02 0.00 0.00 46.19 43.32 1cxr s LEU 18 CO 0.83 -1.14 1.77 -0.81 0.02 0.00 0.00 176.35 177.02 1cxr n PRO 19 N -2.91 0.54 -0.25 1.29 -0.04 -1.26 -3.94 135.00 128.43 1cxr n PRO 19 Ca 0.07 0.03 -0.12 0.00 -0.04 0.00 0.00 63.50 63.44 1cxr n PRO 19 Cb 0.55 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.42 1cxr n PRO 19 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1cxr h GLY 20 N 3.76 -0.87 0.00 0.55 0.00 -1.92 -3.43 103.07 101.16 1cxr h GLY 20 Ca 0.00 0.73 0.00 0.00 0.00 0.00 0.00 47.33 48.06 1cxr h GLY 20 CO 0.00 -0.06 0.00 -1.30 0.00 0.00 0.00 176.54 175.18 1cxr n THR 21 N -5.34 0.00 -1.87 4.70 -2.24 -1.24 -5.00 114.28 103.29 1cxr n THR 21 Ca -0.01 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.56 1cxr n THR 21 Cb 0.32 -0.26 -0.06 0.00 -2.10 0.00 0.00 70.33 68.22 1cxr n THR 21 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1cxr n SER 22 N -1.30 -5.64 -0.08 3.42 3.41 -1.24 -4.85 113.62 107.33 1cxr n SER 22 Ca 0.00 0.34 -0.12 0.00 -0.26 0.00 0.00 58.87 58.83 1cxr n SER 22 Cb 0.00 -4.88 -0.06 0.00 -0.26 0.00 0.00 64.21 59.01 1cxr n SER 22 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1cxr n GLU 23 N -2.59 0.50 -2.48 4.33 1.02 -1.26 -4.96 120.64 115.19 1cxr n GLU 23 Ca -0.22 0.55 -0.24 0.00 -0.02 0.00 0.00 57.16 57.23 1cxr n GLU 23 Cb 0.69 -1.72 0.04 0.00 -0.02 0.00 0.00 31.44 30.43 1cxr n GLU 23 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1cxr s ALA 24 N -2.58 3.47 -0.20 0.62 0.00 -1.26 -5.05 121.76 116.77 1cxr s ALA 24 Ca -0.21 -0.98 -0.22 0.00 0.00 0.00 0.00 51.96 50.56 1cxr s ALA 24 Cb 0.04 -2.40 -0.02 0.00 0.00 0.00 0.00 23.12 20.73 1cxr s ALA 24 CO 0.37 -0.88 0.68 0.42 0.00 0.00 0.00 175.76 176.35 1cxr s ILE 25 N -2.95 4.98 -0.01 0.00 1.01 -1.26 -4.92 121.20 118.06 1cxr s ILE 25 Ca 0.56 1.28 0.12 0.00 0.00 0.00 0.00 60.65 62.61 1cxr s ILE 25 Cb -0.10 -3.99 -0.20 0.00 0.01 0.00 0.00 42.46 38.18 1cxr s ILE 25 CO 0.42 0.08 0.90 0.00 0.00 0.00 0.00 174.94 176.35 1cxr h ALA 27 N 1.07 2.41 0.11 0.00 0.00 -1.91 0.51 119.26 121.45 1cxr h ALA 27 Ca -0.18 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.56 1cxr h ALA 27 Cb 1.86 0.04 0.02 0.00 0.00 0.00 0.00 17.79 19.71 1cxr h ALA 27 CO 0.09 -0.75 -0.67 1.79 0.00 0.00 0.00 179.25 179.70 1cxr h THR 28 N 0.00 1.55 0.00 0.00 1.35 -1.80 0.65 112.91 114.66 1cxr h THR 28 Ca 0.27 -2.49 -0.03 0.00 -0.55 0.00 0.00 66.41 63.60 1cxr h THR 28 Cb 1.20 3.22 -0.00 0.00 -1.73 0.00 0.00 68.15 70.83 1cxr h THR 28 CO -0.00 0.69 -0.15 1.88 -0.25 0.00 0.00 175.52 177.69 1cxr h TYR 29 N -0.51 0.00 0.00 4.73 0.05 -0.98 -2.49 116.97 117.77 1cxr h TYR 29 Ca -0.12 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.56 1cxr h TYR 29 Cb 1.51 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.23 1cxr h TYR 29 CO 0.21 0.15 -2.10 0.25 -1.05 0.00 0.00 178.16 175.62 1cxr n THR 30 N -3.75 0.37 -1.01 -2.88 -2.24 0.16 -4.98 114.28 99.95 1cxr n THR 30 Ca -0.02 -0.59 -0.00 0.00 -2.27 0.00 0.00 64.05 61.17 1cxr n THR 30 Cb 0.26 -0.12 -0.00 0.00 -2.10 0.00 0.00 70.33 68.36 1cxr n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cxr n GLY 31 N 1.39 0.46 1.89 3.38 0.00 0.19 -4.96 105.19 107.55 1cxr n GLY 31 Ca -0.12 -0.40 -0.12 0.00 0.00 0.00 0.00 46.02 45.38 1cxr n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cxr s ILE 33 N -1.59 1.52 -0.16 0.00 -0.00 -1.25 -4.54 121.20 115.19 1cxr s ILE 33 Ca 0.33 -2.12 -0.08 0.00 -0.00 0.00 0.00 60.65 58.78 1cxr s ILE 33 Cb -0.02 -2.32 -0.04 0.00 -0.00 0.00 0.00 42.46 40.08 1cxr s ILE 33 CO 0.22 -0.39 0.14 -0.63 -0.00 0.00 0.00 174.94 174.28 1cxr s ILE 34 N -3.10 5.46 0.24 8.37 1.01 -1.26 -4.25 121.20 127.68 1cxr s ILE 34 Ca 0.27 0.20 0.07 0.00 0.00 0.00 0.00 60.65 61.20 1cxr s ILE 34 Cb 0.03 -3.43 -0.05 0.00 0.01 0.00 0.00 42.46 39.02 1cxr s ILE 34 CO 0.10 0.54 -0.11 0.27 0.00 0.00 0.00 174.94 175.74 1cxr s ILE 35 N -0.41 1.70 -0.07 2.92 -4.36 -1.26 -5.08 121.20 114.63 1cxr s ILE 35 Ca 0.12 -2.18 -0.20 0.00 -0.26 0.00 0.00 60.65 58.13 1cxr s ILE 35 Cb -0.12 -2.23 -0.16 0.00 1.25 0.00 0.00 42.46 41.20 1cxr s ILE 35 CO 0.01 -0.46 0.77 1.55 0.24 0.00 0.00 174.94 177.05 1cxr h PRO 36 N 2.43 -0.13 0.00 0.37 0.13 -1.89 -3.46 132.00 129.45 1cxr h PRO 36 Ca -0.39 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1cxr h PRO 36 Cb 1.23 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1cxr h PRO 36 CO 0.64 0.37 0.00 0.41 -0.23 0.00 0.00 178.00 179.19 1cxr n GLY 37 N 0.93 2.28 3.78 1.56 0.00 -1.26 -4.87 105.19 107.61 1cxr n GLY 37 Ca -0.07 0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1cxr n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cxr n ALA 38 N 0.00 -1.17 -3.31 4.61 0.00 -1.26 -4.88 120.51 114.50 1cxr n ALA 38 Ca 0.00 0.07 -0.26 0.00 0.00 0.00 0.00 53.44 53.25 1cxr n ALA 38 Cb 0.00 -3.34 -0.09 0.00 0.00 0.00 0.00 19.45 16.02 1cxr n ALA 38 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1cxr n THR 39 N -4.22 -1.01 -3.25 0.00 -1.04 -1.26 -5.09 114.28 98.40 1cxr n THR 39 Ca 0.03 -3.66 -0.40 0.00 -2.04 0.00 0.00 64.05 57.98 1cxr n THR 39 Cb 0.52 -1.78 -0.08 0.00 -1.82 0.00 0.00 70.33 67.17 1cxr n THR 39 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1cxr s PRO 41 N 2.29 -0.21 -0.90 0.00 0.04 -1.26 -4.89 135.00 130.07 1cxr s PRO 41 Ca 0.20 -0.22 -0.08 0.00 0.04 0.00 0.00 61.00 60.94 1cxr s PRO 41 Cb -0.16 -1.73 -0.15 0.00 0.04 0.00 0.00 34.50 32.50 1cxr s PRO 41 CO 0.09 -3.01 3.22 0.41 0.04 0.00 0.00 177.00 177.75 1cxr n GLY 42 N -2.39 3.77 0.57 0.56 0.00 -1.26 -4.05 105.19 102.40 1cxr n GLY 42 Ca 0.14 -1.41 -0.08 0.00 0.00 0.00 0.00 46.02 44.66 1cxr n GLY 42 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cxr n ASP 43 N 2.97 1.32 0.02 1.61 10.43 -1.26 -5.01 116.55 126.63 1cxr n ASP 43 Ca 0.62 0.21 0.00 0.00 2.57 0.00 0.00 54.79 58.19 1cxr n ASP 43 Cb 0.53 -0.49 0.00 0.00 1.84 0.00 0.00 41.12 43.00 1cxr n ASP 43 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 1cxr n TYR 44 N -3.84 -0.37 0.00 1.24 4.01 -1.26 -5.02 117.16 111.92 1cxr n TYR 44 Ca -0.15 0.06 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 1cxr n TYR 44 Cb 0.42 0.48 0.00 0.00 -0.31 0.00 0.00 39.34 39.94 1cxr n TYR 44 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1cxr n ALA 45 N -2.67 0.00 -1.00 -0.72 0.00 -1.26 -4.89 120.51 109.97 1cxr n ALA 45 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1cxr n ALA 45 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.47 1cxr n ALA 45 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59