#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 0.03 0.03 1.09 2.01 -1.26 -4.70 115.64 112.84 1cxr s THR 2 Ca 0.00 -0.27 0.07 0.00 0.31 0.00 0.00 61.69 61.80 1cxr s THR 2 Cb 0.00 -0.08 -0.03 0.00 0.01 0.00 0.00 72.50 72.39 1cxr s THR 2 CO 0.00 -0.15 -0.18 0.00 -0.69 0.00 0.00 174.62 173.61 1cxr h PRO 5 N 2.40 0.00 -4.02 0.00 0.13 -1.85 -3.38 132.00 125.29 1cxr h PRO 5 Ca -0.39 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.62 1cxr h PRO 5 Cb 1.24 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.23 1cxr h PRO 5 CO 0.62 0.59 -0.44 -1.54 -0.23 0.00 0.00 178.00 177.01 1cxr s SER 6 N -6.62 0.16 0.26 1.44 1.04 -1.26 -4.95 113.70 103.77 1cxr s SER 6 Ca 0.00 -0.90 0.10 0.00 0.48 0.00 0.00 55.95 55.64 1cxr s SER 6 Cb 0.11 0.36 0.30 0.00 0.10 0.00 0.00 66.02 66.89 1cxr s SER 6 CO 0.74 -0.79 1.58 -0.29 0.98 0.00 0.00 173.24 175.46 1cxr h ILE 7 N 2.72 1.45 -0.55 -1.02 -0.00 -1.96 -2.93 117.51 115.22 1cxr h ILE 7 Ca -0.33 -2.24 -0.06 0.00 -0.00 0.00 0.00 64.86 62.22 1cxr h ILE 7 Cb 1.21 2.22 -0.02 0.00 -0.00 0.00 0.00 36.82 40.22 1cxr h ILE 7 CO 0.54 0.64 0.08 0.58 -0.00 0.00 0.00 178.15 179.99 1cxr h VAL 8 N 0.00 1.24 0.00 2.19 2.07 -2.00 -1.44 116.25 118.30 1cxr h VAL 8 Ca -0.01 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 1cxr h VAL 8 Cb 1.16 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1cxr h VAL 8 CO 0.08 0.34 -0.04 0.00 0.02 0.00 0.00 177.57 177.97 1cxr h ALA 9 N 1.25 1.88 0.00 1.67 0.00 -1.82 0.59 119.26 122.83 1cxr h ALA 9 Ca 0.17 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1cxr h ALA 9 Cb 0.38 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1cxr h ALA 9 CO 0.01 0.05 -0.20 -0.09 0.00 0.00 0.00 179.25 179.02 1cxr h ARG 10 N 0.00 0.00 -0.00 0.00 9.65 -1.26 -1.79 114.38 120.98 1cxr h ARG 10 Ca -0.00 0.00 -0.19 0.00 -1.10 0.00 0.00 59.98 58.69 1cxr h ARG 10 Cb 0.08 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.65 1cxr h ARG 10 CO 0.01 0.20 -0.85 1.03 2.80 0.00 0.00 179.97 183.16 1cxr h SER 11 N 0.00 0.23 1.14 -3.80 0.87 -0.85 -2.84 113.55 108.31 1cxr h SER 11 Ca -0.00 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 1cxr h SER 11 Cb 0.43 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 1cxr h SER 11 CO 0.03 0.97 0.00 0.59 -0.53 0.00 0.00 176.83 177.89 1cxr n ASN 12 N -3.67 0.66 -0.53 6.23 4.13 -0.73 -2.33 115.26 119.02 1cxr n ASN 12 Ca -0.03 0.60 0.10 0.00 1.68 0.00 0.00 54.58 56.93 1cxr n ASN 12 Cb 0.79 -0.76 0.37 0.00 -1.54 0.00 0.00 39.78 38.64 1cxr n ASN 12 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 1cxr n PHE 13 N -2.15 0.21 0.25 3.10 7.35 -0.83 -3.67 117.46 121.71 1cxr n PHE 13 Ca 0.04 -0.10 0.15 0.00 -0.76 0.00 0.00 57.45 56.78 1cxr n PHE 13 Cb 0.34 0.00 0.46 0.00 0.35 0.00 0.00 39.48 40.64 1cxr n PHE 13 CO 0.00 0.00 0.00 -0.91 -0.76 0.00 0.00 176.76 175.09 1cxr h ASN 14 N 2.08 0.00 0.04 -2.13 2.35 -1.52 -2.79 115.58 113.63 1cxr h ASN 14 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1cxr h ASN 14 Cb 0.46 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 1cxr h ASN 14 CO 0.00 0.02 -0.08 -0.37 -1.65 0.00 0.00 177.43 175.35 1cxr h VAL 15 N 0.00 1.10 0.00 2.81 -1.51 -1.79 0.41 116.25 117.27 1cxr h VAL 15 Ca -0.00 -0.43 -0.24 0.00 -1.23 0.00 0.00 66.70 64.80 1cxr h VAL 15 Cb 0.73 1.14 0.01 0.00 -2.13 0.00 0.00 31.29 31.04 1cxr h VAL 15 CO 0.00 0.13 -0.99 0.00 -1.23 0.00 0.00 177.57 175.49 1cxr h ARG 17 N 0.29 0.17 -7.03 0.00 -0.00 -1.23 -3.44 114.38 103.14 1cxr h ARG 17 Ca -0.10 -0.10 -0.47 0.00 -0.50 0.00 0.00 59.98 58.81 1cxr h ARG 17 Cb 1.63 0.01 0.02 0.00 0.00 0.00 0.00 29.97 31.62 1cxr h ARG 17 CO 0.18 0.64 0.39 -0.51 0.00 0.00 0.00 179.97 180.67 1cxr s LEU 18 N -8.03 3.96 -1.11 3.04 1.02 0.13 -4.93 118.68 112.76 1cxr s LEU 18 Ca -0.04 1.93 -0.22 0.00 0.02 0.00 0.00 54.13 55.83 1cxr s LEU 18 Cb 0.13 -4.42 -0.00 0.00 0.02 0.00 0.00 46.19 41.91 1cxr s LEU 18 CO 0.77 -0.62 1.77 -2.16 0.02 0.00 0.00 176.35 176.13 1cxr s PRO 19 N -2.96 3.17 0.00 1.29 0.04 -1.26 -3.69 135.00 131.59 1cxr s PRO 19 Ca 0.63 -1.18 0.00 0.00 0.04 0.00 0.00 61.00 60.49 1cxr s PRO 19 Cb -0.17 -5.31 0.00 0.00 0.04 0.00 0.00 34.50 29.06 1cxr s PRO 19 CO 0.22 -2.96 0.00 0.41 0.04 0.00 0.00 177.00 174.71 1cxr n GLY 20 N 6.20 -1.75 1.39 0.56 0.00 -1.26 -5.15 105.19 105.17 1cxr n GLY 20 Ca 0.42 0.61 0.00 0.00 0.00 0.00 0.00 46.02 47.05 1cxr n GLY 20 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1cxr n THR 21 N 0.00 -4.70 0.00 2.61 -1.04 -1.10 -4.92 114.28 105.13 1cxr n THR 21 Ca 0.00 2.06 0.00 0.00 -2.04 0.00 0.00 64.05 64.07 1cxr n THR 21 Cb 0.00 -2.85 0.00 0.00 -1.82 0.00 0.00 70.33 65.66 1cxr n THR 21 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1cxr n SER 22 N -0.51 0.00 0.00 8.00 2.88 -1.26 -4.80 113.62 117.93 1cxr n SER 22 Ca 0.00 0.31 0.00 0.00 -1.33 0.00 0.00 58.87 57.85 1cxr n SER 22 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1cxr n SER 22 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1cxr n GLU 23 N -0.38 0.00 0.00 -1.46 -0.58 -1.26 -5.08 120.64 111.87 1cxr n GLU 23 Ca 0.00 0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 1cxr n GLU 23 Cb 0.00 -0.46 0.00 0.00 -0.57 0.00 0.00 31.44 30.41 1cxr n GLU 23 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1cxr n ALA 24 N -1.51 0.00 -2.09 0.62 0.00 -1.26 -4.99 120.51 111.28 1cxr n ALA 24 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1cxr n ALA 24 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 1cxr n ALA 24 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1cxr n ILE 25 N -1.88 4.99 0.26 0.00 5.41 -1.26 -4.65 119.36 122.23 1cxr n ILE 25 Ca 0.00 -4.34 0.09 0.00 1.00 0.00 0.00 62.75 59.50 1cxr n ILE 25 Cb 0.00 -2.16 0.68 0.00 -0.71 0.00 0.00 39.64 37.45 1cxr n ILE 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1cxr h ALA 27 N 1.97 2.77 0.10 0.00 0.00 -1.91 0.54 119.26 122.73 1cxr h ALA 27 Ca -0.00 0.03 -0.35 0.00 0.00 0.00 0.00 54.91 54.59 1cxr h ALA 27 Cb 0.06 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1cxr h ALA 27 CO 0.00 -1.21 -1.91 1.15 0.00 0.00 0.00 179.25 177.28 1cxr h THR 28 N 0.16 0.70 -0.50 0.00 2.02 -1.30 -3.09 112.91 110.90 1cxr h THR 28 Ca 0.65 -2.44 -0.28 0.00 0.77 0.00 0.00 66.41 65.11 1cxr h THR 28 Cb 2.15 2.50 -0.15 0.00 -1.74 0.00 0.00 68.15 70.91 1cxr h THR 28 CO -0.20 0.80 0.36 -1.22 0.37 0.00 0.00 175.52 175.64 1cxr n TYR 29 N -3.38 1.57 -1.81 3.16 4.01 0.14 -3.51 117.16 117.34 1cxr n TYR 29 Ca -0.28 -1.41 0.00 0.00 -0.16 0.00 0.00 57.90 56.06 1cxr n TYR 29 Cb 1.05 -0.70 0.00 0.00 -0.31 0.00 0.00 39.34 39.38 1cxr n TYR 29 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 1cxr n THR 30 N -0.16 0.00 0.00 -0.72 5.66 0.14 -4.91 114.28 114.29 1cxr n THR 30 Ca 0.31 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.31 1cxr n THR 30 Cb 0.95 0.60 0.00 0.00 -1.55 0.00 0.00 70.33 70.33 1cxr n THR 30 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1cxr n GLY 31 N 0.00 2.16 3.56 1.09 0.00 -1.23 -4.75 105.19 106.02 1cxr n GLY 31 Ca 0.00 -0.47 -0.31 0.00 0.00 0.00 0.00 46.02 45.24 1cxr n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cxr n ILE 33 N -4.26 0.00 -3.68 0.00 -5.35 -1.13 -4.05 119.36 100.89 1cxr n ILE 33 Ca 0.09 -2.43 -0.36 0.00 -0.27 0.00 0.00 62.75 59.78 1cxr n ILE 33 Cb 0.53 1.19 -0.09 0.00 -1.74 0.00 0.00 39.64 39.53 1cxr n ILE 33 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1cxr s ILE 34 N -3.33 5.38 -0.13 7.28 1.01 -1.26 -4.28 121.20 125.86 1cxr s ILE 34 Ca 0.39 0.19 -0.07 0.00 0.00 0.00 0.00 60.65 61.15 1cxr s ILE 34 Cb 0.02 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 1cxr s ILE 34 CO 0.27 0.38 0.14 0.27 0.00 0.00 0.00 174.94 176.00 1cxr s ILE 35 N 0.81 5.49 -1.10 2.92 -4.36 -1.26 -4.99 121.20 118.70 1cxr s ILE 35 Ca 0.08 0.20 -0.18 0.00 -0.26 0.00 0.00 60.65 60.50 1cxr s ILE 35 Cb -0.13 -3.41 -0.07 0.00 1.25 0.00 0.00 42.46 40.11 1cxr s ILE 35 CO 0.02 0.60 2.10 -0.81 0.24 0.00 0.00 174.94 177.08 1cxr n PRO 36 N 2.18 2.17 -2.19 0.37 -0.04 -1.26 -4.44 135.00 131.80 1cxr n PRO 36 Ca -0.19 -2.17 -0.01 0.00 -0.04 0.00 0.00 63.50 61.09 1cxr n PRO 36 Cb 0.55 -3.06 -0.00 0.00 -0.04 0.00 0.00 33.50 30.94 1cxr n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1cxr n GLY 37 N 4.28 -3.80 3.95 0.55 0.00 -1.26 -4.25 105.19 104.67 1cxr n GLY 37 Ca 0.51 0.28 -0.34 0.00 0.00 0.00 0.00 46.02 46.48 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 0.50 -2.20 -3.19 4.61 0.00 -1.26 -4.86 120.51 114.11 1cxr n ALA 38 Ca -0.04 -0.42 -0.21 0.00 0.00 0.00 0.00 53.44 52.77 1cxr n ALA 38 Cb 0.06 -1.74 -0.05 0.00 0.00 0.00 0.00 19.45 17.72 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 -3.81 -0.44 -2.35 0.00 -1.04 -1.26 -5.11 114.28 100.26 1cxr n THR 39 Ca -0.10 -4.30 -0.39 0.00 -2.04 0.00 0.00 64.05 57.22 1cxr n THR 39 Cb 0.42 -1.11 -0.03 0.00 -1.82 0.00 0.00 70.33 67.79 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 -1.96 0.79 0.42 0.00 0.04 -1.26 -4.79 135.00 128.24 1cxr s PRO 41 Ca 0.52 0.16 0.22 0.00 0.04 0.00 0.00 61.00 61.94 1cxr s PRO 41 Cb -0.31 -1.81 0.43 0.00 0.04 0.00 0.00 34.50 32.85 1cxr s PRO 41 CO 0.40 -2.41 1.63 0.78 0.04 0.00 0.00 177.00 177.44 1cxr h GLY 42 N -1.65 0.00 0.95 0.56 0.00 -1.95 0.27 103.07 101.25 1cxr h GLY 42 Ca -0.49 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.76 1cxr h GLY 42 CO 0.56 0.00 -0.10 -0.55 0.00 0.00 0.00 176.54 176.45 1cxr h ASP 43 N 0.00 0.72 0.01 0.19 3.32 -2.02 -3.33 116.42 115.31 1cxr h ASP 43 Ca -0.00 -0.37 -0.25 0.00 0.02 0.00 0.00 57.03 56.43 1cxr h ASP 43 Cb 1.01 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.34 1cxr h ASP 43 CO 0.02 0.92 -1.35 1.88 -1.72 0.00 0.00 179.24 178.99 1cxr h TYR 44 N 0.51 0.06 0.00 4.55 -1.99 -1.88 -3.48 116.97 114.74 1cxr h TYR 44 Ca 0.09 -0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.78 1cxr h TYR 44 Cb 0.61 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.34 1cxr h TYR 44 CO 0.05 1.53 0.00 0.00 -0.00 0.00 0.00 178.16 179.74 1cxr n ALA 45 N -3.37 0.00 -1.00 3.88 0.00 0.94 -4.79 120.51 116.17 1cxr n ALA 45 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1cxr n ALA 45 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.17 1cxr n ALA 45 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77