#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1otr n ASP 7 N 0.00 0.00 -3.46 0.53 8.00 -1.26 -4.61 116.55 115.76 1otr n ASP 7 Ca 0.00 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.29 1otr n ASP 7 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 1otr n ASP 7 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1otr n ASP 8 N 2.15 -1.98 0.21 -2.24 5.68 -1.26 -4.77 116.55 114.34 1otr n ASP 8 Ca 0.00 -0.36 0.09 0.00 -0.50 0.00 0.00 54.79 54.02 1otr n ASP 8 Cb 0.00 -1.74 0.38 0.00 -1.14 0.00 0.00 41.12 38.62 1otr n ASP 8 CO 0.00 0.00 0.00 1.12 -1.33 0.00 0.00 177.20 176.99 1otr h HIS 9 N -0.54 0.00 -1.01 2.11 2.07 -1.97 -3.20 115.15 112.61 1otr h HIS 9 Ca -0.33 0.00 0.22 0.00 -2.85 0.00 0.00 60.37 57.42 1otr h HIS 9 Cb 1.21 0.00 -0.11 0.00 2.57 0.00 0.00 27.41 31.09 1otr h HIS 9 CO 0.77 0.24 0.62 0.93 -3.07 0.00 0.00 177.93 177.42 1otr h GLU 10 N 0.00 0.60 -0.03 5.12 4.39 -1.95 0.40 114.58 123.11 1otr h GLU 10 Ca -0.00 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 1otr h GLU 10 Cb 0.86 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.37 1otr h GLU 10 CO 0.03 0.40 0.02 0.66 -1.16 0.00 0.00 179.01 178.95 1otr h SER 11 N 0.62 0.03 -0.80 1.42 4.64 -1.95 0.33 113.55 117.85 1otr h SER 11 Ca 0.60 -0.06 0.04 0.00 -0.47 0.00 0.00 61.79 61.90 1otr h SER 11 Cb 1.14 -0.01 -0.05 0.00 -0.31 0.00 0.00 62.40 63.17 1otr h SER 11 CO -0.39 0.08 0.52 0.11 -0.87 0.00 0.00 176.83 176.28 1otr h LYS 12 N -0.02 0.93 -0.90 4.77 6.56 -0.86 -0.68 116.57 126.38 1otr h LYS 12 Ca 0.01 -0.06 -0.01 0.00 -1.06 0.00 0.00 60.65 59.53 1otr h LYS 12 Cb 0.05 -0.21 -0.04 0.00 -0.57 0.00 0.00 32.23 31.46 1otr h LYS 12 CO -0.00 0.62 0.51 1.25 -2.06 0.00 0.00 179.45 179.77 1otr h LEU 13 N 0.96 1.11 -0.04 2.94 5.85 0.46 -0.36 115.31 126.23 1otr h LEU 13 Ca 0.32 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.95 1otr h LEU 13 Cb 0.07 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.82 1otr h LEU 13 CO -0.10 0.88 0.02 -1.28 -0.34 0.00 0.00 178.44 177.62 1otr h SER 14 N 1.26 0.03 -0.82 1.25 0.87 0.57 -0.26 113.55 116.45 1otr h SER 14 Ca 0.32 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.92 1otr h SER 14 Cb -0.00 -0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 61.91 1otr h SER 14 CO -0.05 0.03 0.54 0.40 -0.53 0.00 0.00 176.83 177.21 1otr h ILE 15 N 0.05 1.13 -0.51 2.23 5.03 -0.99 -1.76 117.51 122.68 1otr h ILE 15 Ca 0.02 -0.35 -0.00 0.00 -0.12 0.00 0.00 64.86 64.41 1otr h ILE 15 Cb 0.00 0.02 -0.02 0.00 -3.03 0.00 0.00 36.82 33.79 1otr h ILE 15 CO -0.01 0.19 0.32 -0.07 -0.68 0.00 0.00 178.15 177.89 1otr h LEU 16 N 1.02 0.61 -0.03 1.44 3.38 -0.18 0.93 115.31 122.48 1otr h LEU 16 Ca 0.33 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.27 1otr h LEU 16 Cb 0.03 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1otr h LEU 16 CO -0.10 0.48 -0.06 0.24 0.09 0.00 0.00 178.44 179.09 1otr h MET 17 N 0.69 -0.10 0.00 1.13 2.86 -0.23 -0.52 114.93 118.76 1otr h MET 17 Ca 0.19 0.01 -0.10 0.00 -2.06 0.00 0.00 59.70 57.73 1otr h MET 17 Cb -0.03 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 1otr h MET 17 CO -0.04 -0.06 -0.50 -0.44 1.06 0.00 0.00 176.91 176.93 1otr h ASP 18 N -0.10 0.00 -0.67 1.22 5.19 -1.18 -3.09 116.42 117.79 1otr h ASP 18 Ca 0.04 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.39 1otr h ASP 18 Cb 0.15 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.63 1otr h ASP 18 CO -0.09 0.50 0.21 -0.03 -3.12 0.00 0.00 179.24 176.71 1otr h MET 19 N 0.00 1.04 -4.11 3.56 4.05 0.16 -3.38 114.93 116.26 1otr h MET 19 Ca -0.00 -0.22 -0.64 0.00 -0.28 0.00 0.00 59.70 58.55 1otr h MET 19 Cb 0.92 -0.15 -0.40 0.00 -0.80 0.00 0.00 31.60 31.16 1otr h MET 19 CO 0.06 0.90 -0.71 -0.06 0.23 0.00 0.00 176.91 177.34 1otr s PHE 20 N -5.42 3.12 -0.15 1.39 0.08 -0.27 -5.01 117.98 111.73 1otr s PHE 20 Ca -0.12 -2.74 -0.05 0.00 0.12 0.00 0.00 56.93 54.13 1otr s PHE 20 Cb 0.14 -2.59 -0.21 0.00 -0.57 0.00 0.00 43.02 39.79 1otr s PHE 20 CO 0.83 -0.89 3.04 -2.30 -0.10 0.00 0.00 175.22 175.80 1otr n PRO 21 N 4.11 1.81 0.00 0.24 -0.02 -1.25 -3.28 135.00 136.61 1otr n PRO 21 Ca 0.03 -0.95 0.00 0.00 -2.02 0.00 0.00 63.50 60.57 1otr n PRO 21 Cb 0.40 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 1otr n PRO 21 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1otr n ALA 22 N 2.72 0.00 -1.81 3.55 0.00 -1.26 -5.12 120.51 118.59 1otr n ALA 22 Ca 0.39 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.41 1otr n ALA 22 Cb 0.70 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.12 1otr n ALA 22 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1otr s ILE 23 N -0.99 2.27 0.37 0.00 1.01 -1.21 -4.94 121.20 117.71 1otr s ILE 23 Ca 0.00 0.21 -0.28 0.00 0.00 0.00 0.00 60.65 60.58 1otr s ILE 23 Cb 0.00 -3.13 -0.10 0.00 0.01 0.00 0.00 42.46 39.24 1otr s ILE 23 CO 0.00 0.02 1.37 -0.55 0.00 0.00 0.00 174.94 175.78 1otr s SER 24 N 0.84 6.47 0.37 3.58 0.15 -1.26 -4.87 113.70 118.99 1otr s SER 24 Ca 0.68 2.81 0.14 0.00 0.70 0.00 0.00 55.95 60.28 1otr s SER 24 Cb -0.47 -2.65 0.97 0.00 -1.71 0.00 0.00 66.02 62.16 1otr s SER 24 CO 0.38 -0.75 1.80 0.50 1.20 0.00 0.00 173.24 176.37 1otr h LYS 25 N 3.03 0.52 -0.06 5.44 3.64 -1.98 -0.75 116.57 126.41 1otr h LYS 25 Ca -0.50 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 58.86 1otr h LYS 25 Cb 1.24 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 1otr h LYS 25 CO 0.64 0.34 0.00 1.03 -2.27 0.00 0.00 179.45 179.20 1otr h SER 26 N 0.53 -0.01 -0.69 4.20 0.87 -2.00 -1.96 113.55 114.49 1otr h SER 26 Ca 0.55 0.01 0.02 0.00 -1.23 0.00 0.00 61.79 61.14 1otr h SER 26 Cb 1.17 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 63.11 1otr h SER 26 CO -0.28 0.00 0.44 0.50 -0.53 0.00 0.00 176.83 176.96 1otr h LYS 27 N 0.03 0.84 -0.35 2.24 3.64 -1.52 -1.24 116.57 120.21 1otr h LYS 27 Ca 0.03 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1otr h LYS 27 Cb 0.03 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.63 1otr h LYS 27 CO -0.04 0.56 0.16 -0.07 -2.27 0.00 0.00 179.45 177.78 1otr h LEU 28 N 0.87 0.21 -0.74 5.20 3.38 -1.13 -1.15 115.31 121.94 1otr h LEU 28 Ca 0.27 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.21 1otr h LEU 28 Cb -0.01 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1otr h LEU 28 CO -0.10 0.16 0.23 -0.61 0.09 0.00 0.00 178.44 178.22 1otr h GLN 29 N 0.33 1.16 0.74 1.13 4.15 -0.99 -1.80 115.11 119.83 1otr h GLN 29 Ca 0.15 -0.25 -0.04 0.00 0.77 0.00 0.00 58.65 59.29 1otr h GLN 29 Cb 0.09 -0.17 0.01 0.00 0.21 0.00 0.00 27.48 27.62 1otr h GLN 29 CO -0.13 0.98 -0.36 0.28 -1.93 0.00 0.00 178.83 177.68 1otr h VAL 30 N 1.11 0.22 -0.82 2.39 2.07 -0.73 -1.42 116.25 119.07 1otr h VAL 30 Ca 0.24 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.65 1otr h VAL 30 Cb 0.31 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 30.28 1otr h VAL 30 CO -0.01 0.01 0.53 1.12 0.02 0.00 0.00 177.57 179.25 1otr h HIS 31 N -1.08 1.04 -0.37 1.57 2.07 -1.26 -2.08 115.15 115.04 1otr h HIS 31 Ca -0.10 0.02 0.03 0.00 -2.85 0.00 0.00 60.37 57.47 1otr h HIS 31 Cb 0.78 -0.35 -0.03 0.00 2.57 0.00 0.00 27.41 30.38 1otr h HIS 31 CO -0.01 0.66 0.18 1.25 -3.07 0.00 0.00 177.93 176.94 1otr h LEU 32 N 1.11 0.25 -0.34 6.12 5.85 -1.29 0.67 115.31 127.68 1otr h LEU 32 Ca 0.30 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 59.03 1otr h LEU 32 Cb -0.12 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 1otr h LEU 32 CO -0.06 0.19 0.18 -0.07 -0.34 0.00 0.00 178.44 178.33 1otr h LEU 33 N 0.36 0.43 -0.42 2.25 3.38 -0.93 0.33 115.31 120.71 1otr h LEU 33 Ca 0.16 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1otr h LEU 33 Cb 0.08 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1otr h LEU 33 CO -0.12 0.41 0.06 -0.33 0.09 0.00 0.00 178.44 178.55 1otr h GLU 34 N 0.42 0.70 -1.82 1.13 4.39 -1.11 -3.13 114.58 115.16 1otr h GLU 34 Ca 0.12 -0.19 -0.04 0.00 0.34 0.00 0.00 59.36 59.58 1otr h GLU 34 Cb 0.08 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 1otr h GLU 34 CO -0.02 0.74 0.05 0.09 -1.16 0.00 0.00 179.01 178.72 1otr n ASN 35 N -4.49 5.17 -3.73 1.42 5.03 0.20 -4.78 115.26 114.10 1otr n ASN 35 Ca -0.00 -2.44 -0.28 0.00 0.87 0.00 0.00 54.58 52.73 1otr n ASN 35 Cb 0.24 -1.04 -0.03 0.00 -1.02 0.00 0.00 39.78 37.93 1otr n ASN 35 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1otr n ASN 36 N 1.23 -2.69 -3.77 6.41 2.85 -1.18 -0.74 115.26 117.37 1otr n ASN 36 Ca 0.04 -0.61 -0.25 0.00 -0.11 0.00 0.00 54.58 53.65 1otr n ASN 36 Cb 0.52 -2.27 0.04 0.00 1.24 0.00 0.00 39.78 39.30 1otr n ASN 36 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1otr n ASN 37 N -2.28 -3.19 -4.73 1.20 3.02 0.11 -4.97 115.26 104.43 1otr n ASN 37 Ca 0.04 -0.77 -0.35 0.00 -0.03 0.00 0.00 54.58 53.48 1otr n ASN 37 Cb 0.50 -4.13 -0.08 0.00 -0.61 0.00 0.00 39.78 35.45 1otr n ASN 37 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1otr s ASP 38 N -3.84 6.21 -0.15 6.41 1.11 0.08 -5.01 116.67 121.49 1otr s ASP 38 Ca 0.33 0.22 -0.17 0.00 0.18 0.00 0.00 52.55 53.11 1otr s ASP 38 Cb -0.16 -2.09 -0.14 0.00 1.07 0.00 0.00 42.92 41.59 1otr s ASP 38 CO 0.81 0.18 0.31 -0.07 1.18 0.00 0.00 175.17 177.57 1otr h LEU 39 N 6.71 0.00 -0.35 1.23 3.38 -1.93 -3.02 115.31 121.33 1otr h LEU 39 Ca -0.41 -0.49 0.03 0.00 0.09 0.00 0.00 57.88 57.11 1otr h LEU 39 Cb 1.15 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.87 1otr h LEU 39 CO 0.76 0.95 0.14 -0.78 0.09 0.00 0.00 178.44 179.59 1otr h ASP 40 N -1.00 0.18 0.45 -0.43 3.58 -1.97 0.75 116.42 117.98 1otr h ASP 40 Ca -0.08 0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.38 1otr h ASP 40 Cb 0.74 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.80 1otr h ASP 40 CO -0.05 0.14 -0.22 0.25 -2.88 0.00 0.00 179.24 176.49 1otr h LEU 41 N 0.30 -0.51 0.14 2.28 6.46 -1.97 0.46 115.31 122.47 1otr h LEU 41 Ca 0.15 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.93 1otr h LEU 41 Cb 0.10 0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.14 1otr h LEU 41 CO -0.14 -0.29 -0.33 0.74 -0.62 0.00 0.00 178.44 177.80 1otr h THR 42 N -0.76 0.00 -0.93 1.05 2.02 -1.55 -1.43 112.91 111.31 1otr h THR 42 Ca -0.06 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.31 1otr h THR 42 Cb 0.47 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.80 1otr h THR 42 CO 0.10 0.00 0.60 0.40 0.37 0.00 0.00 175.52 176.99 1otr h ILE 43 N -0.51 0.72 -0.56 3.11 2.04 -0.98 0.66 117.51 121.99 1otr h ILE 43 Ca -0.01 -0.19 0.10 0.00 1.00 0.00 0.00 64.86 65.75 1otr h ILE 43 Cb 0.49 0.11 -0.08 0.00 -0.74 0.00 0.00 36.82 36.60 1otr h ILE 43 CO -0.14 0.10 0.12 1.23 0.00 0.00 0.00 178.15 179.47 1otr h GLY 44 N 0.56 0.71 1.09 5.37 0.00 0.14 -0.03 103.07 110.91 1otr h GLY 44 Ca 0.50 -0.03 -0.11 0.00 0.00 0.00 0.00 47.33 47.68 1otr h GLY 44 CO -0.24 -0.09 -0.07 1.41 0.00 0.00 0.00 176.54 177.56 1otr h LEU 45 N 0.26 1.03 -0.80 3.11 4.07 -0.19 -3.00 115.31 119.79 1otr h LEU 45 Ca 0.29 -0.34 0.09 0.00 0.08 0.00 0.00 57.88 58.00 1otr h LEU 45 Cb 0.40 -0.28 -0.07 0.00 1.08 0.00 0.00 40.66 41.79 1otr h LEU 45 CO -0.36 1.13 0.46 -0.07 -1.08 0.00 0.00 178.44 178.51 1otr h LEU 46 N 0.92 0.66 -1.11 1.67 -0.00 -0.27 -0.88 115.31 116.31 1otr h LEU 46 Ca 0.15 0.04 0.11 0.00 -0.00 0.00 0.00 57.88 58.18 1otr h LEU 46 Cb 0.64 -0.09 -0.07 0.00 -0.00 0.00 0.00 40.66 41.14 1otr h LEU 46 CO 0.04 0.39 0.61 -0.07 -0.00 0.00 0.00 178.44 179.41 1otr h LEU 47 N 0.79 0.87 -3.03 1.67 3.38 -0.92 -1.50 115.31 116.56 1otr h LEU 47 Ca 0.38 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.38 1otr h LEU 47 Cb 0.32 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1otr h LEU 47 CO -0.23 0.49 0.00 0.29 0.09 0.00 0.00 178.44 179.08 1otr n LYS 48 N -4.57 0.95 0.02 1.13 4.76 -0.34 -4.25 118.16 115.86 1otr n LYS 48 Ca 0.17 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.50 1otr n LYS 48 Cb 0.33 -1.03 -0.08 0.00 -1.84 0.00 0.00 35.03 32.41 1otr n LYS 48 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1otr h GLU 49 N 1.14 -0.13 -1.58 1.97 4.22 -1.38 -3.28 114.58 115.54 1otr h GLU 49 Ca 0.00 0.01 -0.36 0.00 0.08 0.00 0.00 59.36 59.08 1otr h GLU 49 Cb 0.95 0.03 -0.15 0.00 0.50 0.00 0.00 28.75 30.08 1otr h GLU 49 CO 0.00 0.37 0.43 -1.71 -2.18 0.00 0.00 179.01 175.92 1otr n ASN 50 N -4.85 6.52 -3.65 1.04 5.15 -1.26 -4.80 115.26 113.42 1otr n ASN 50 Ca -0.08 -3.11 -0.01 0.00 -0.60 0.00 0.00 54.58 50.78 1otr n ASN 50 Cb 0.28 -1.08 -0.07 0.00 -0.53 0.00 0.00 39.78 38.38 1otr n ASN 50 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1otr s ASP 51 N 0.13 -0.17 -0.29 1.20 2.15 -1.24 -5.18 116.67 113.28 1otr s ASP 51 Ca 0.37 0.29 -0.19 0.00 0.43 0.00 0.00 52.55 53.45 1otr s ASP 51 Cb 0.28 0.76 0.15 0.00 -0.30 0.00 0.00 42.92 43.81 1otr s ASP 51 CO -0.04 -0.05 1.06 1.51 -0.17 0.00 0.00 175.17 177.49 1otr s ASP 52 N 0.71 -0.40 0.08 -0.34 -4.77 -1.26 -4.71 116.67 105.97 1otr s ASP 52 Ca -0.03 0.67 -0.17 0.00 -3.30 0.00 0.00 52.55 49.72 1otr s ASP 52 Cb -0.04 1.02 -0.10 0.00 -1.09 0.00 0.00 42.92 42.72 1otr s ASP 52 CO -0.12 -0.11 1.42 0.11 0.70 0.00 0.00 175.17 177.17 1otr h LYS 53 N 5.30 0.53 0.00 2.11 6.56 -2.02 -3.54 116.57 125.51 1otr h LYS 53 Ca -0.28 -0.25 0.00 0.00 -1.06 0.00 0.00 60.65 59.06 1otr h LYS 53 Cb 1.18 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.84 1otr h LYS 53 CO 0.18 0.82 0.00 -1.13 -2.06 0.00 0.00 179.45 177.26