#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 0.18 0.05 12.58 -4.23 -1.26 -4.56 115.64 118.40 1cxr s THR 2 Ca 0.00 -1.47 0.04 0.00 -1.18 0.00 0.00 61.69 59.08 1cxr s THR 2 Cb 0.00 -1.05 -0.03 0.00 1.34 0.00 0.00 72.50 72.77 1cxr s THR 2 CO 0.00 -0.81 -0.13 0.00 -0.54 0.00 0.00 174.62 173.14 1cxr h PRO 5 N 3.11 0.00 -6.51 0.00 0.13 -1.91 -3.45 132.00 123.36 1cxr h PRO 5 Ca -0.34 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.15 1cxr h PRO 5 Cb 1.15 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.04 1cxr h PRO 5 CO 0.65 0.69 -0.86 -1.54 -0.23 0.00 0.00 178.00 176.71 1cxr s SER 6 N -6.73 2.91 0.44 1.44 1.04 -1.26 -5.01 113.70 106.52 1cxr s SER 6 Ca -0.00 -0.65 0.24 0.00 0.48 0.00 0.00 55.95 56.02 1cxr s SER 6 Cb 0.11 -0.21 0.90 0.00 0.10 0.00 0.00 66.02 66.92 1cxr s SER 6 CO 0.77 0.16 1.82 0.16 0.98 0.00 0.00 173.24 177.13 1cxr h ILE 7 N 4.11 0.57 -0.59 -1.02 3.07 -2.00 -2.71 117.51 118.94 1cxr h ILE 7 Ca -0.47 -1.14 -0.07 0.00 1.55 0.00 0.00 64.86 64.73 1cxr h ILE 7 Cb 1.16 1.78 -0.02 0.00 -0.27 0.00 0.00 36.82 39.47 1cxr h ILE 7 CO 0.41 0.23 0.09 0.58 -1.05 0.00 0.00 178.15 178.41 1cxr h VAL 8 N 0.00 1.25 -0.24 0.16 2.07 -1.98 0.12 116.25 117.62 1cxr h VAL 8 Ca -0.00 -0.98 -0.10 0.00 0.82 0.00 0.00 66.70 66.44 1cxr h VAL 8 Cb 0.76 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1cxr h VAL 8 CO 0.03 0.36 -0.27 0.00 0.02 0.00 0.00 177.57 177.71 1cxr h ALA 9 N 1.19 1.08 -0.10 1.67 0.00 -1.77 -0.94 119.26 120.39 1cxr h ALA 9 Ca 0.18 -0.35 -0.17 0.00 0.00 0.00 0.00 54.91 54.57 1cxr h ALA 9 Cb 0.41 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1cxr h ALA 9 CO 0.01 0.57 -0.64 -0.09 0.00 0.00 0.00 179.25 179.09 1cxr h ARG 10 N 0.42 0.39 -0.13 0.00 2.43 -1.28 -0.97 114.38 115.24 1cxr h ARG 10 Ca 0.06 -0.28 -0.13 0.00 -0.81 0.00 0.00 59.98 58.81 1cxr h ARG 10 Cb 0.69 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 1cxr h ARG 10 CO 0.05 0.90 -0.50 0.66 -1.51 0.00 0.00 179.97 179.58 1cxr h SER 11 N 0.28 0.38 0.77 -3.80 4.64 -0.41 -2.76 113.55 112.65 1cxr h SER 11 Ca -0.01 -0.19 -0.17 0.00 -0.47 0.00 0.00 61.79 60.95 1cxr h SER 11 Cb 1.19 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 63.15 1cxr h SER 11 CO 0.11 0.81 -0.82 0.78 -0.87 0.00 0.00 176.83 176.84 1cxr h ASN 12 N 0.28 0.04 0.59 4.97 2.35 -1.05 -2.96 115.58 119.79 1cxr h ASN 12 Ca 0.01 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1cxr h ASN 12 Cb 0.97 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.33 1cxr h ASN 12 CO 0.08 0.84 0.00 0.15 -1.65 0.00 0.00 177.43 176.86 1cxr h PHE 13 N 0.02 0.00 -0.02 1.19 3.04 -0.89 -1.86 116.94 118.43 1cxr h PHE 13 Ca -0.01 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.94 1cxr h PHE 13 Cb 1.45 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.96 1cxr h PHE 13 CO 0.00 0.00 0.02 -0.91 -2.02 0.00 0.00 178.31 175.40 1cxr h ASN 14 N 0.00 0.00 0.02 0.41 2.35 -1.36 0.17 115.58 117.17 1cxr h ASN 14 Ca 0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1cxr h ASN 14 Cb 0.29 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 1cxr h ASN 14 CO 0.00 0.00 -0.13 0.58 -1.65 0.00 0.00 177.43 176.23 1cxr h VAL 15 N 0.00 1.18 0.04 2.81 2.07 -1.52 0.18 116.25 121.01 1cxr h VAL 15 Ca 0.01 -0.78 -0.22 0.00 0.82 0.00 0.00 66.70 66.52 1cxr h VAL 15 Cb 0.04 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1cxr h VAL 15 CO -0.00 0.24 -1.01 0.00 0.02 0.00 0.00 177.57 176.83 1cxr h ARG 17 N 0.08 0.63 -7.36 0.00 3.08 -0.72 -3.31 114.38 106.78 1cxr h ARG 17 Ca -0.07 -0.31 -0.50 0.00 0.07 0.00 0.00 59.98 59.17 1cxr h ARG 17 Cb 1.69 0.00 0.11 0.00 0.08 0.00 0.00 29.97 31.86 1cxr h ARG 17 CO 0.15 0.91 0.33 -0.51 -1.07 0.00 0.00 179.97 179.79 1cxr s LEU 18 N -8.62 2.80 0.00 3.04 1.02 0.55 -4.92 118.68 112.54 1cxr s LEU 18 Ca -0.08 1.50 0.22 0.00 0.02 0.00 0.00 54.13 55.79 1cxr s LEU 18 Cb 0.12 -4.19 1.04 0.00 0.02 0.00 0.00 46.19 43.18 1cxr s LEU 18 CO 0.83 -1.88 1.72 -0.81 0.02 0.00 0.00 176.35 176.23 1cxr n PRO 19 N -3.40 0.16 0.00 1.29 -0.04 -1.26 -3.95 135.00 127.80 1cxr n PRO 19 Ca 0.07 0.10 -0.00 0.00 -0.04 0.00 0.00 63.50 63.63 1cxr n PRO 19 Cb 0.55 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.51 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 3.75 -1.30 0.00 0.55 0.00 -1.92 -3.43 103.07 100.73 1cxr h GLY 20 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 47.33 47.89 1cxr h GLY 20 CO 0.00 -0.49 0.00 2.41 0.00 0.00 0.00 176.54 178.46 1cxr n THR 21 N -2.49 0.00 0.00 4.70 -1.04 -1.23 -4.93 114.28 109.29 1cxr n THR 21 Ca -0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1cxr n THR 21 Cb 0.00 -0.66 0.00 0.00 -1.82 0.00 0.00 70.33 67.86 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 -0.62 0.00 -0.31 8.00 2.88 -1.24 -4.61 113.62 117.72 1cxr n SER 22 Ca 0.00 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.46 1cxr n SER 22 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 1cxr n SER 22 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1cxr h GLU 23 N 0.00 -0.00 -6.90 -1.46 5.08 -1.92 -3.38 114.58 106.00 1cxr h GLU 23 Ca 0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 1cxr h GLU 23 Cb 0.00 0.00 0.10 0.00 0.50 0.00 0.00 28.75 29.35 1cxr h GLU 23 CO 0.00 -0.00 0.83 0.00 -1.00 0.00 0.00 179.01 178.83 1cxr s ALA 24 N -5.10 3.64 -0.26 3.43 0.00 -1.26 -4.95 121.76 117.26 1cxr s ALA 24 Ca -0.09 1.59 -0.20 0.00 0.00 0.00 0.00 51.96 53.26 1cxr s ALA 24 Cb 0.08 -3.63 -0.02 0.00 0.00 0.00 0.00 23.12 19.55 1cxr s ALA 24 CO 0.45 -1.05 0.62 0.42 0.00 0.00 0.00 175.76 176.20 1cxr s ILE 25 N -0.73 4.98 -2.44 0.00 1.01 -1.26 -4.87 121.20 117.89 1cxr s ILE 25 Ca 0.57 1.06 0.26 0.00 0.00 0.00 0.00 60.65 62.54 1cxr s ILE 25 Cb -0.47 -3.94 0.52 0.00 0.01 0.00 0.00 42.46 38.58 1cxr s ILE 25 CO 0.58 0.00 1.69 0.00 0.00 0.00 0.00 174.94 177.21 1cxr n ALA 27 N 0.23 2.64 -1.50 0.00 0.00 -1.26 -4.24 120.51 116.37 1cxr n ALA 27 Ca 0.18 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.88 1cxr n ALA 27 Cb 0.35 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.81 1cxr n ALA 27 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1cxr n THR 28 N 0.53 0.00 -0.92 0.00 -2.24 -1.23 -4.17 114.28 106.24 1cxr n THR 28 Ca 0.13 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.73 1cxr n THR 28 Cb 0.43 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.70 1cxr n THR 28 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cxr n TYR 29 N 0.00 1.61 -1.34 4.78 0.18 -1.26 -4.24 117.16 116.89 1cxr n TYR 29 Ca 0.00 -2.01 -0.08 0.00 1.88 0.00 0.00 57.90 57.69 1cxr n TYR 29 Cb 0.00 -0.98 0.21 0.00 -0.38 0.00 0.00 39.34 38.18 1cxr n TYR 29 CO 0.00 0.00 0.00 2.41 -2.08 0.00 0.00 176.86 177.19 1cxr n THR 30 N 0.31 2.70 0.00 -3.48 -1.04 -1.26 -4.95 114.28 106.55 1cxr n THR 30 Ca 0.32 -2.43 0.00 0.00 -2.04 0.00 0.00 64.05 59.90 1cxr n THR 30 Cb 0.58 -0.35 0.00 0.00 -1.82 0.00 0.00 70.33 68.74 1cxr n THR 30 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1cxr n GLY 31 N -1.02 2.01 3.77 3.41 0.00 -1.26 -4.72 105.19 107.37 1cxr n GLY 31 Ca 0.39 -0.27 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.72 0.00 -3.76 0.00 -5.35 -1.17 -4.02 119.36 102.34 1cxr n ILE 33 Ca 0.10 -0.64 -0.35 0.00 -0.27 0.00 0.00 62.75 61.58 1cxr n ILE 33 Cb 0.52 0.26 -0.08 0.00 -1.74 0.00 0.00 39.64 38.60 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 -2.07 5.43 0.14 7.28 1.01 -1.26 -4.46 121.20 127.27 1cxr s ILE 34 Ca 0.07 0.19 0.09 0.00 0.00 0.00 0.00 60.65 61.00 1cxr s ILE 34 Cb 0.00 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.98 1cxr s ILE 34 CO 0.05 0.47 -0.20 0.27 0.00 0.00 0.00 174.94 175.53 1cxr s ILE 35 N 0.09 1.87 0.73 2.92 -4.36 -1.26 -5.05 121.20 116.14 1cxr s ILE 35 Ca 0.09 -1.78 -0.11 0.00 -0.26 0.00 0.00 60.65 58.59 1cxr s ILE 35 Cb -0.11 -1.78 0.03 0.00 1.25 0.00 0.00 42.46 41.84 1cxr s ILE 35 CO -0.01 -0.17 1.07 -2.16 0.24 0.00 0.00 174.94 173.91 1cxr s PRO 36 N -2.40 2.66 -1.06 0.37 0.04 -1.26 -4.90 135.00 128.44 1cxr s PRO 36 Ca 0.13 0.85 -0.20 0.00 0.04 0.00 0.00 61.00 61.82 1cxr s PRO 36 Cb -0.08 -1.97 -0.08 0.00 0.04 0.00 0.00 34.50 32.42 1cxr s PRO 36 CO 0.06 -1.27 1.98 0.41 0.04 0.00 0.00 177.00 178.22 1cxr n GLY 37 N -2.04 2.74 0.00 0.56 0.00 -1.26 -4.20 105.19 101.00 1cxr n GLY 37 Ca 0.07 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.83 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 8.44 0.08 -2.48 4.61 0.00 -1.26 -5.17 120.51 124.73 1cxr n ALA 38 Ca 0.49 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.85 1cxr n ALA 38 Cb 0.42 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.76 1cxr n ALA 38 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1cxr s THR 39 N 0.43 0.17 0.70 0.00 2.01 -1.26 -5.15 115.64 112.54 1cxr s THR 39 Ca 0.00 -1.41 -0.15 0.00 0.31 0.00 0.00 61.69 60.44 1cxr s THR 39 Cb 0.00 -0.97 0.02 0.00 0.01 0.00 0.00 72.50 71.56 1cxr s THR 39 CO 0.00 -0.78 1.15 0.00 -0.69 0.00 0.00 174.62 174.30 1cxr s PRO 41 N -4.05 0.19 0.00 0.00 0.04 -1.26 -4.93 135.00 124.99 1cxr s PRO 41 Ca 0.70 -0.07 0.31 0.00 0.04 0.00 0.00 61.00 61.98 1cxr s PRO 41 Cb -0.24 -1.76 1.75 0.00 0.04 0.00 0.00 34.50 34.29 1cxr s PRO 41 CO 0.44 -2.77 2.14 0.41 0.04 0.00 0.00 177.00 177.25 1cxr n GLY 42 N -2.32 -0.92 0.07 0.56 0.00 -1.26 -3.12 105.19 98.20 1cxr n GLY 42 Ca 0.12 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 1cxr n GLY 42 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1cxr h ASP 43 N 0.28 0.00 -2.27 1.61 3.45 -2.03 -3.39 116.42 114.07 1cxr h ASP 43 Ca 0.00 -0.86 -0.59 0.00 0.43 0.00 0.00 57.03 56.02 1cxr h ASP 43 Cb 0.10 0.00 -0.42 0.00 -0.56 0.00 0.00 39.33 38.45 1cxr h ASP 43 CO 0.00 0.98 -0.64 -1.22 -1.57 0.00 0.00 179.24 176.79 1cxr n TYR 44 N -4.61 4.04 -2.33 4.55 4.01 -1.23 -4.95 117.16 116.64 1cxr n TYR 44 Ca -0.11 -3.98 -0.43 0.00 -0.16 0.00 0.00 57.90 53.23 1cxr n TYR 44 Cb 0.44 -0.48 0.00 0.00 -0.31 0.00 0.00 39.34 39.00 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 -0.25 5.20 -1.00 -0.72 0.00 -1.18 -4.58 120.51 117.97 1cxr n ALA 45 Ca 0.31 -4.25 0.00 0.00 0.00 0.00 0.00 53.44 49.51 1cxr n ALA 45 Cb 0.40 -3.07 0.00 0.00 0.00 0.00 0.00 19.45 16.78 1cxr n ALA 45 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77