#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fc6 s SER 2 N 0.00 4.02 0.01 1.61 0.01 -1.26 -5.13 113.70 112.96 2fc6 s SER 2 Ca 0.00 -0.37 0.05 0.00 1.31 0.00 0.00 55.95 56.94 2fc6 s SER 2 Cb 0.00 -0.72 -0.03 0.00 0.21 0.00 0.00 66.02 65.48 2fc6 s SER 2 CO 0.00 0.25 -0.15 -0.55 0.41 0.00 0.00 173.24 173.20 2fc6 s SER 3 N -1.52 4.00 0.00 2.44 0.15 -1.26 -5.09 113.70 112.41 2fc6 s SER 3 Ca 0.16 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.50 2fc6 s SER 3 Cb -0.11 -0.76 0.00 0.00 -1.71 0.00 0.00 66.02 63.44 2fc6 s SER 3 CO 0.07 0.29 0.00 0.61 1.20 0.00 0.00 173.24 175.40 2fc6 n GLY 4 N 1.79 1.38 2.44 9.45 0.00 -1.26 -4.87 105.19 114.13 2fc6 n GLY 4 Ca -0.16 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.71 2fc6 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2fc6 n SER 5 N -0.01 3.37 -0.03 1.61 2.88 -1.26 -4.86 113.62 115.33 2fc6 n SER 5 Ca 0.00 -3.06 -0.10 0.00 -1.33 0.00 0.00 58.87 54.38 2fc6 n SER 5 Cb 0.00 -0.43 -0.08 0.00 -0.75 0.00 0.00 64.21 62.95 2fc6 n SER 5 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2fc6 h SER 6 N 2.49 -0.05 0.00 -3.46 0.87 -2.02 -3.48 113.55 107.90 2fc6 h SER 6 Ca 0.13 -0.57 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 2fc6 h SER 6 Cb 1.31 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.28 2fc6 h SER 6 CO 0.56 0.69 0.00 0.61 -0.53 0.00 0.00 176.83 178.15 2fc6 n GLY 7 N 1.30 1.66 3.30 5.77 0.00 -1.26 -4.00 105.19 111.96 2fc6 n GLY 7 Ca -0.07 -0.42 -0.45 0.00 0.00 0.00 0.00 46.02 45.07 2fc6 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fc6 s LEU 10 N -1.87 3.97 0.49 0.00 2.01 -1.26 -5.04 118.68 116.98 2fc6 s LEU 10 Ca -0.08 1.60 -0.22 0.00 0.01 0.00 0.00 54.13 55.44 2fc6 s LEU 10 Cb -0.03 -4.44 -0.07 0.00 0.01 0.00 0.00 46.19 41.66 2fc6 s LEU 10 CO -0.02 -0.33 1.15 -2.16 1.01 0.00 0.00 176.35 176.00 2fc6 s PRO 11 N -3.13 3.60 0.45 1.29 0.04 -1.26 -4.94 135.00 131.05 2fc6 s PRO 11 Ca 0.60 1.71 0.30 0.00 0.04 0.00 0.00 61.00 63.66 2fc6 s PRO 11 Cb -0.09 -2.25 1.26 0.00 0.04 0.00 0.00 34.50 33.45 2fc6 s PRO 11 CO 0.14 -0.67 1.89 -1.00 0.04 0.00 0.00 177.00 177.41 2fc6 h PRO 12 N 1.72 0.00 -6.38 0.56 0.13 -2.07 -3.45 132.00 122.52 2fc6 h PRO 12 Ca -0.50 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.01 2fc6 h PRO 12 Cb 1.25 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.49 2fc6 h PRO 12 CO 0.59 0.00 0.07 0.00 -0.23 0.00 0.00 178.00 178.43 2fc6 n ALA 13 N -1.97 -0.72 0.04 -0.56 0.00 -1.26 -4.92 120.51 111.11 2fc6 n ALA 13 Ca 0.01 0.41 -0.01 0.00 0.00 0.00 0.00 53.44 53.86 2fc6 n ALA 13 Cb 0.27 -1.96 -0.00 0.00 0.00 0.00 0.00 19.45 17.75 2fc6 n ALA 13 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2fc6 n THR 14 N 0.48 1.20 -2.02 0.00 -1.04 -1.26 -4.98 114.28 106.65 2fc6 n THR 14 Ca 0.12 0.37 -0.43 0.00 -2.04 0.00 0.00 64.05 62.08 2fc6 n THR 14 Cb 0.29 -1.61 -0.03 0.00 -1.82 0.00 0.00 70.33 67.17 2fc6 n THR 14 CO 0.00 0.00 0.00 -1.38 -0.64 0.00 0.00 175.07 173.05 2fc6 s HIS 15 N -2.01 1.87 0.37 -1.42 -3.43 -1.26 -4.94 115.29 104.47 2fc6 s HIS 15 Ca -0.02 0.57 -0.25 0.00 -0.80 0.00 0.00 55.06 54.56 2fc6 s HIS 15 Cb 0.00 -4.10 -0.12 0.00 -1.43 0.00 0.00 32.58 26.93 2fc6 s HIS 15 CO 0.03 -3.02 0.88 0.54 -2.00 0.00 0.00 174.74 171.17 2fc6 n ARG 16 N 8.21 1.11 -2.25 -0.38 1.74 -1.26 -4.91 116.66 118.93 2fc6 n ARG 16 Ca 0.22 0.40 -0.40 0.00 -0.77 0.00 0.00 57.85 57.30 2fc6 n ARG 16 Cb 0.46 -1.81 -0.03 0.00 -1.02 0.00 0.00 32.46 30.06 2fc6 n ARG 16 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2fc6 s PRO 17 N -1.73 4.36 -0.06 5.56 0.04 -1.26 -5.04 135.00 136.87 2fc6 s PRO 17 Ca 0.62 2.01 -0.01 0.00 0.04 0.00 0.00 61.00 63.66 2fc6 s PRO 17 Cb -0.63 -3.01 -0.04 0.00 0.04 0.00 0.00 34.50 30.87 2fc6 s PRO 17 CO 0.58 -0.11 0.03 -1.01 0.04 0.00 0.00 177.00 176.53 2fc6 s HIS 18 N -1.21 3.21 -0.36 0.56 3.76 -1.26 -5.06 115.29 114.93 2fc6 s HIS 18 Ca 0.50 0.21 -0.28 0.00 -0.15 0.00 0.00 55.06 55.33 2fc6 s HIS 18 Cb -0.35 -1.77 -0.01 0.00 1.11 0.00 0.00 32.58 31.55 2fc6 s HIS 18 CO 0.46 0.51 1.71 -1.25 -0.85 0.00 0.00 174.74 175.32 2fc6 s PRO 19 N -1.21 3.37 0.35 8.40 0.04 -1.26 -4.88 135.00 139.82 2fc6 s PRO 19 Ca 0.17 1.28 0.04 0.00 0.04 0.00 0.00 61.00 62.53 2fc6 s PRO 19 Cb -0.12 -4.16 0.68 0.00 0.04 0.00 0.00 34.50 30.94 2fc6 s PRO 19 CO 0.06 -1.82 1.97 0.00 0.04 0.00 0.00 177.00 177.26 2fc6 h THR 20 N 6.73 1.08 -2.00 1.26 1.03 -1.99 -3.42 112.91 115.58 2fc6 h THR 20 Ca -0.32 -0.28 0.03 0.00 -0.01 0.00 0.00 66.41 65.83 2fc6 h THR 20 Cb 1.15 0.17 -0.21 0.00 -1.07 0.00 0.00 68.15 68.20 2fc6 h THR 20 CO 1.05 0.15 -0.00 -0.44 -0.01 0.00 0.00 175.52 176.27 2fc6 s SER 21 N -6.27 -0.98 0.09 0.00 0.01 -1.26 -5.09 113.70 100.20 2fc6 s SER 21 Ca -0.10 1.53 -0.13 0.00 1.31 0.00 0.00 55.95 58.56 2fc6 s SER 21 Cb 0.19 1.53 -0.06 0.00 0.21 0.00 0.00 66.02 67.89 2fc6 s SER 21 CO 0.77 -0.24 0.46 -0.63 0.41 0.00 0.00 173.24 174.01 2fc6 s ILE 22 N 1.84 4.99 1.27 1.44 1.09 -1.26 0.40 121.20 130.96 2fc6 s ILE 22 Ca -0.09 0.67 -0.19 0.00 -1.10 0.00 0.00 60.65 59.94 2fc6 s ILE 22 Cb -0.06 -3.70 0.31 0.00 -1.06 0.00 0.00 42.46 37.95 2fc6 s ILE 22 CO -0.20 0.33 1.02 0.00 -0.10 0.00 0.00 174.94 176.00 2fc6 n ASP 24 N -5.09 1.53 -0.01 0.00 9.92 -1.26 -4.14 116.55 117.50 2fc6 n ASP 24 Ca 0.10 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.36 2fc6 n ASP 24 Cb 0.59 1.29 -0.00 0.00 -0.64 0.00 0.00 41.12 42.35 2fc6 n ASP 24 CO 0.00 0.00 0.00 0.78 0.13 0.00 0.00 177.20 178.11 2fc6 h ASN 25 N 0.00 0.00 -0.50 -2.24 2.35 -1.95 -3.38 115.58 109.86 2fc6 h ASN 25 Ca -0.18 0.00 0.14 0.00 -0.55 0.00 0.00 56.30 55.71 2fc6 h ASN 25 Cb 1.25 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.60 2fc6 h ASN 25 CO 0.01 0.12 0.36 0.15 -1.65 0.00 0.00 177.43 176.43 2fc6 h PHE 26 N -0.17 0.01 -0.11 1.19 3.04 -1.53 0.99 116.94 120.35 2fc6 h PHE 26 Ca 0.00 0.00 0.02 0.00 3.98 0.00 0.00 57.97 61.97 2fc6 h PHE 26 Cb 0.08 -0.00 -0.04 0.00 2.56 0.00 0.00 35.95 38.55 2fc6 h PHE 26 CO -0.03 0.00 -0.30 1.03 -2.02 0.00 0.00 178.31 176.99 2fc6 h SER 27 N 0.01 -0.96 0.00 0.41 0.87 -1.76 -2.49 113.55 109.64 2fc6 h SER 27 Ca 0.24 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.92 2fc6 h SER 27 Cb 0.95 0.38 0.00 0.00 -0.44 0.00 0.00 62.40 63.29 2fc6 h SER 27 CO -0.00 -0.25 -0.85 0.00 -0.53 0.00 0.00 176.83 175.19 2fc6 n ALA 28 N -2.83 0.75 -0.20 6.23 0.00 -1.06 -4.58 120.51 118.82 2fc6 n ALA 28 Ca -0.03 -0.71 -0.01 0.00 0.00 0.00 0.00 53.44 52.69 2fc6 n ALA 28 Cb 0.20 0.03 0.05 0.00 0.00 0.00 0.00 19.45 19.73 2fc6 n ALA 28 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 2fc6 h TYR 29 N -0.95 -0.32 0.00 0.00 -1.99 -1.01 -3.46 116.97 109.25 2fc6 h TYR 29 Ca 0.00 0.05 0.00 0.00 2.00 0.00 0.00 58.73 60.78 2fc6 h TYR 29 Cb 0.85 0.23 0.00 0.00 2.00 0.00 0.00 36.73 39.81 2fc6 h TYR 29 CO -0.37 -0.25 0.00 0.41 -0.00 0.00 0.00 178.16 177.95 2fc6 n GLY 30 N -1.41 1.65 3.79 3.88 0.00 -0.85 -4.95 105.19 107.31 2fc6 n GLY 30 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 2fc6 n GLY 30 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2fc6 s TRP 31 N -1.91 3.06 -0.09 1.61 1.48 -1.26 -4.59 118.94 117.23 2fc6 s TRP 31 Ca 0.00 -0.11 -0.07 0.00 -1.06 0.00 0.00 56.10 54.86 2fc6 s TRP 31 Cb 0.00 -1.39 0.03 0.00 -1.16 0.00 0.00 33.47 30.96 2fc6 s TRP 31 CO 0.00 0.53 0.23 0.00 -4.06 0.00 0.00 176.95 173.66 2fc6 n PRO 33 N 3.56 0.45 -0.01 0.00 -0.04 -1.26 -2.26 135.00 135.44 2fc6 n PRO 33 Ca -0.19 0.02 0.02 0.00 -0.04 0.00 0.00 63.50 63.31 2fc6 n PRO 33 Cb 0.56 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.46 2fc6 n PRO 33 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2fc6 n LEU 34 N -1.04 0.00 0.00 1.53 4.77 -1.26 -5.07 117.00 115.94 2fc6 n LEU 34 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 2fc6 n LEU 34 Cb 0.06 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 2fc6 n LEU 34 CO 0.09 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.81 2fc6 n GLY 35 N 2.21 2.08 0.25 -0.72 0.00 -0.96 -3.25 105.19 104.80 2fc6 n GLY 35 Ca -0.04 -0.53 -0.11 0.00 0.00 0.00 0.00 46.02 45.33 2fc6 n GLY 35 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2fc6 h PRO 36 N 0.00 0.81 -0.09 1.61 0.13 -1.98 -2.96 132.00 129.52 2fc6 h PRO 36 Ca 0.00 -0.43 0.03 0.00 -0.87 0.00 0.00 66.00 64.73 2fc6 h PRO 36 Cb 0.00 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.14 2fc6 h PRO 36 CO 0.00 1.06 0.09 1.96 -0.23 0.00 0.00 178.00 180.89 2fc6 h GLN 37 N 0.66 0.00 -5.54 0.86 4.20 -1.96 -3.44 115.11 109.89 2fc6 h GLN 37 Ca 0.05 0.00 -0.68 0.00 0.06 0.00 0.00 58.65 58.09 2fc6 h GLN 37 Cb 0.97 0.00 0.07 0.00 0.30 0.00 0.00 27.48 28.83 2fc6 h GLN 37 CO 0.09 0.00 -0.21 0.00 -0.67 0.00 0.00 178.83 178.04 2fc6 n PRO 39 N 1.16 0.15 -2.96 0.00 -0.04 -1.26 -4.76 135.00 127.28 2fc6 n PRO 39 Ca 0.18 0.39 -0.19 0.00 -0.04 0.00 0.00 63.50 63.83 2fc6 n PRO 39 Cb 0.15 -1.78 0.04 0.00 -0.04 0.00 0.00 33.50 31.87 2fc6 n PRO 39 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2fc6 s GLN 40 N -3.24 2.55 -0.01 0.54 -1.52 -1.26 -4.96 119.66 111.74 2fc6 s GLN 40 Ca 0.05 -1.34 -0.03 0.00 -1.95 0.00 0.00 55.36 52.09 2fc6 s GLN 40 Cb 0.09 -2.67 -0.04 0.00 -0.22 0.00 0.00 33.01 30.17 2fc6 s GLN 40 CO 0.36 -0.59 0.18 0.45 -0.25 0.00 0.00 175.29 175.43 2fc6 s SER 41 N -4.49 6.34 -0.75 5.90 0.15 0.16 -4.78 113.70 116.23 2fc6 s SER 41 Ca 0.58 0.34 0.03 0.00 0.70 0.00 0.00 55.95 57.61 2fc6 s SER 41 Cb -0.08 -1.99 0.22 0.00 -1.71 0.00 0.00 66.02 62.46 2fc6 s SER 41 CO 0.36 0.27 0.73 1.41 1.20 0.00 0.00 173.24 177.21 2fc6 n HIS 42 N 0.99 3.53 -3.22 3.44 8.25 -1.26 -0.51 115.22 126.44 2fc6 n HIS 42 Ca -0.11 -4.09 -0.43 0.00 -0.26 0.00 0.00 57.72 52.83 2fc6 n HIS 42 Cb 0.53 -0.75 -0.08 0.00 1.12 0.00 0.00 29.99 30.81 2fc6 n HIS 42 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2fc6 s ASP 43 N -1.63 6.26 -0.87 0.41 -1.08 -1.26 -5.01 116.67 113.49 2fc6 s ASP 43 Ca 0.32 -0.47 -0.23 0.00 -0.52 0.00 0.00 52.55 51.64 2fc6 s ASP 43 Cb 0.03 -2.27 0.07 0.00 -1.46 0.00 0.00 42.92 39.29 2fc6 s ASP 43 CO -0.08 -0.66 1.24 -0.63 0.52 0.00 0.00 175.17 175.57 2fc6 s ILE 44 N 2.45 4.15 0.24 4.11 -1.09 -1.26 -4.89 121.20 124.91 2fc6 s ILE 44 Ca 0.17 -0.63 -0.30 0.00 -2.23 0.00 0.00 60.65 57.66 2fc6 s ILE 44 Cb -0.16 -4.89 -0.09 0.00 -1.58 0.00 0.00 42.46 35.74 2fc6 s ILE 44 CO 0.16 -1.73 1.25 -0.94 -1.23 0.00 0.00 174.94 172.45 2fc6 s SER 45 N 4.14 6.97 0.06 3.58 1.04 -1.26 -5.02 113.70 123.21 2fc6 s SER 45 Ca 0.36 2.42 -0.26 0.00 0.48 0.00 0.00 55.95 58.94 2fc6 s SER 45 Cb -0.06 -2.62 0.07 0.00 0.10 0.00 0.00 66.02 63.50 2fc6 s SER 45 CO -0.01 -0.43 0.62 -0.83 0.98 0.00 0.00 173.24 173.58 2fc6 s GLY 46 N -0.13 -0.58 0.27 7.32 0.00 -1.26 -5.03 107.32 107.93 2fc6 s GLY 46 Ca 0.52 0.83 0.24 0.00 0.00 0.00 0.00 44.72 46.31 2fc6 s GLY 46 CO 0.42 0.50 1.72 -1.55 0.00 0.00 0.00 173.10 174.19 2fc6 n PRO 47 N 0.24 0.20 -1.39 2.90 -0.04 -1.26 -4.82 135.00 130.83 2fc6 n PRO 47 Ca -0.18 0.44 -0.62 0.00 -0.04 0.00 0.00 63.50 63.10 2fc6 n PRO 47 Cb 0.61 -1.89 -0.11 0.00 -0.04 0.00 0.00 33.50 32.06 2fc6 n PRO 47 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2fc6 n SER 48 N -2.28 0.88 -0.20 3.54 3.41 -1.26 -4.80 113.62 112.91 2fc6 n SER 48 Ca 0.02 0.82 -0.09 0.00 -0.26 0.00 0.00 58.87 59.36 2fc6 n SER 48 Cb 0.23 -0.89 0.02 0.00 -0.26 0.00 0.00 64.21 63.30 2fc6 n SER 48 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2fc6 h SER 49 N 7.91 0.95 0.00 4.04 4.64 -2.07 -3.55 113.55 125.47 2fc6 h SER 49 Ca -0.19 -0.29 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2fc6 h SER 49 Cb 1.41 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2fc6 h SER 49 CO 1.06 1.00 0.00 0.61 -0.87 0.00 0.00 176.83 178.63