#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yts s SER 2 N 0.00 -0.20 0.51 1.61 1.04 -1.26 -5.19 113.70 110.22 2yts s SER 2 Ca 0.00 -0.45 0.05 0.00 0.48 0.00 0.00 55.95 56.03 2yts s SER 2 Cb 0.00 0.54 0.01 0.00 0.10 0.00 0.00 66.02 66.67 2yts s SER 2 CO 0.00 -1.00 0.28 -0.55 0.98 0.00 0.00 173.24 172.96 2yts s SER 3 N -2.93 4.51 -0.37 7.02 0.15 -1.26 -5.09 113.70 115.73 2yts s SER 3 Ca 0.12 -1.28 0.12 0.00 0.70 0.00 0.00 55.95 55.61 2yts s SER 3 Cb -0.02 0.25 0.40 0.00 -1.71 0.00 0.00 66.02 64.94 2yts s SER 3 CO 0.03 -0.94 1.09 0.61 1.20 0.00 0.00 173.24 175.23 2yts n GLY 4 N -1.57 1.60 2.91 9.45 0.00 -1.26 -5.11 105.19 111.21 2yts n GLY 4 Ca -0.05 -0.75 -0.13 0.00 0.00 0.00 0.00 46.02 45.09 2yts n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yts s SER 5 N -2.10 0.24 0.32 1.61 0.01 -1.26 -5.15 113.70 107.38 2yts s SER 5 Ca 0.26 -0.04 -0.26 0.00 1.31 0.00 0.00 55.95 57.22 2yts s SER 5 Cb 0.40 -0.03 -0.10 0.00 0.21 0.00 0.00 66.02 66.51 2yts s SER 5 CO -0.03 0.02 0.97 -0.55 0.41 0.00 0.00 173.24 174.05 2yts s SER 6 N -0.07 7.29 0.00 2.44 0.15 -1.26 -4.45 113.70 117.81 2yts s SER 6 Ca 0.01 1.90 0.00 0.00 0.70 0.00 0.00 55.95 58.56 2yts s SER 6 Cb -0.01 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 2yts s SER 6 CO -0.00 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 174.95 2yts n GLY 7 N 0.66 3.32 3.45 9.45 0.00 -1.26 -5.10 105.19 115.71 2yts n GLY 7 Ca 0.02 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 2yts n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2yts s THR 8 N 0.00 3.71 0.86 2.61 2.01 -1.26 -5.09 115.64 118.47 2yts s THR 8 Ca 0.00 -0.42 -0.15 0.00 0.31 0.00 0.00 61.69 61.43 2yts s THR 8 Cb 0.00 -2.63 -0.05 0.00 0.01 0.00 0.00 72.50 69.83 2yts s THR 8 CO 0.00 0.48 0.06 0.61 -0.69 0.00 0.00 174.62 175.08 2yts n GLY 9 N 3.75 -2.71 2.47 4.40 0.00 -1.26 -4.90 105.19 106.95 2yts n GLY 9 Ca -0.18 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 44.91 2yts n GLY 9 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2yts n GLU 10 N 0.03 3.04 -1.63 1.61 4.71 -1.26 -5.04 120.64 122.09 2yts n GLU 10 Ca 0.05 -3.77 -0.41 0.00 -0.01 0.00 0.00 57.16 53.03 2yts n GLU 10 Cb 0.53 -2.27 0.01 0.00 -1.01 0.00 0.00 31.44 28.70 2yts n GLU 10 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2yts n LYS 11 N -0.68 1.43 -0.01 3.49 5.02 -1.26 -4.91 118.16 121.24 2yts n LYS 11 Ca 0.52 0.51 -0.08 0.00 -2.02 0.00 0.00 58.31 57.25 2yts n LYS 11 Cb 0.59 -2.12 0.09 0.00 -0.02 0.00 0.00 35.03 33.58 2yts n LYS 11 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 2yts h PRO 12 N 1.56 0.58 -5.59 1.97 0.13 -1.97 -3.42 132.00 125.26 2yts h PRO 12 Ca -0.45 -0.31 -0.60 0.00 -0.87 0.00 0.00 66.00 63.77 2yts h PRO 12 Cb 1.33 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 32.37 2yts h PRO 12 CO 0.57 0.90 0.18 0.71 -0.23 0.00 0.00 178.00 180.12 2yts s TYR 13 N -4.20 3.32 -0.10 1.56 2.02 -1.26 -5.04 117.35 113.65 2yts s TYR 13 Ca -0.08 0.89 -0.04 0.00 -0.37 0.00 0.00 57.07 57.47 2yts s TYR 13 Cb 0.12 -2.85 0.05 0.00 -0.40 0.00 0.00 41.96 38.89 2yts s TYR 13 CO 0.83 -0.28 0.19 0.42 -1.57 0.00 0.00 175.55 175.14 2yts s ILE 14 N 2.33 -0.30 0.25 2.71 1.01 -1.26 -1.75 121.20 124.19 2yts s ILE 14 Ca 0.28 0.33 -0.31 0.00 0.00 0.00 0.00 60.65 60.95 2yts s ILE 14 Cb -0.16 -0.34 -0.13 0.00 0.01 0.00 0.00 42.46 41.84 2yts s ILE 14 CO 0.09 0.14 1.35 0.00 0.00 0.00 0.00 174.94 176.52 2yts n ASN 16 N 1.87 4.37 -0.02 0.00 4.13 -1.26 -3.24 115.26 121.12 2yts n ASN 16 Ca 0.11 -3.25 -0.03 0.00 1.68 0.00 0.00 54.58 53.09 2yts n ASN 16 Cb 0.32 -0.69 -0.02 0.00 -1.54 0.00 0.00 39.78 37.85 2yts n ASN 16 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2yts n GLU 17 N -0.34 0.09 -0.02 3.52 -0.58 -1.26 -4.89 120.64 117.16 2yts n GLU 17 Ca 0.36 0.03 -0.03 0.00 -0.42 0.00 0.00 57.16 57.09 2yts n GLU 17 Cb 1.24 -0.93 -0.03 0.00 -0.57 0.00 0.00 31.44 31.15 2yts n GLU 17 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2yts n GLY 19 N 3.12 0.81 3.81 0.00 0.00 -1.20 -5.10 105.19 106.62 2yts n GLY 19 Ca -0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.71 2yts n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yts s LYS 20 N 0.38 2.40 0.28 1.61 1.02 -1.25 -4.90 119.74 119.29 2yts s LYS 20 Ca 0.00 -1.65 0.05 0.00 0.02 0.00 0.00 55.97 54.39 2yts s LYS 20 Cb 0.00 -2.21 -0.06 0.00 -0.52 0.00 0.00 37.83 35.04 2yts s LYS 20 CO 0.00 -0.12 -0.01 -1.12 -0.92 0.00 0.00 175.35 173.18 2yts s SER 21 N -4.01 2.46 0.27 2.83 0.01 -1.26 0.13 113.70 114.13 2yts s SER 21 Ca 0.44 -1.25 -0.21 0.00 1.31 0.00 0.00 55.95 56.24 2yts s SER 21 Cb -0.00 -0.11 0.02 0.00 0.21 0.00 0.00 66.02 66.14 2yts s SER 21 CO 0.25 -0.46 0.70 -0.36 0.41 0.00 0.00 173.24 173.78 2yts s PHE 22 N -3.18 -0.20 -0.11 2.43 0.40 -0.72 -4.93 117.98 111.66 2yts s PHE 22 Ca 0.31 -0.23 0.02 0.00 -0.60 0.00 0.00 56.93 56.43 2yts s PHE 22 Cb 0.06 0.68 -0.02 0.00 0.51 0.00 0.00 43.02 44.24 2yts s PHE 22 CO 0.12 -1.19 0.12 0.44 0.70 0.00 0.00 175.22 175.41 2yts n ILE 23 N -0.45 0.00 -4.01 0.64 -5.35 -1.26 -4.14 119.36 104.78 2yts n ILE 23 Ca -0.05 -0.45 -0.30 0.00 -0.27 0.00 0.00 62.75 61.67 2yts n ILE 23 Cb 0.60 1.00 -0.16 0.00 -1.74 0.00 0.00 39.64 39.34 2yts n ILE 23 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 2yts s GLN 24 N -1.14 2.21 0.38 6.28 0.74 -1.26 -5.00 119.66 121.87 2yts s GLN 24 Ca 0.01 -0.66 0.21 0.00 0.05 0.00 0.00 55.36 54.97 2yts s GLN 24 Cb 0.02 -2.22 1.28 0.00 1.10 0.00 0.00 33.01 33.19 2yts s GLN 24 CO 0.08 -0.30 1.62 0.87 -0.55 0.00 0.00 175.29 177.01 2yts h LYS 25 N 8.02 0.13 0.01 1.67 1.79 -2.00 0.41 116.57 126.61 2yts h LYS 25 Ca -0.35 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.11 2yts h LYS 25 Cb 1.12 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.74 2yts h LYS 25 CO 0.51 0.09 -0.01 0.77 -1.08 0.00 0.00 179.45 179.73 2yts h SER 26 N 0.14 -0.01 -0.70 0.86 0.02 -1.98 -0.58 113.55 111.29 2yts h SER 26 Ca 0.80 -0.17 0.16 0.00 -0.84 0.00 0.00 61.79 61.74 2yts h SER 26 Cb 2.15 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 64.57 2yts h SER 26 CO -0.61 0.16 0.06 -0.74 -1.14 0.00 0.00 176.83 174.56 2yts h HIS 27 N -0.19 0.05 0.28 3.45 -0.00 -0.59 0.21 115.15 118.36 2yts h HIS 27 Ca -0.00 0.05 -0.01 0.00 -0.00 0.00 0.00 60.37 60.40 2yts h HIS 27 Cb 0.18 0.09 0.00 0.00 -0.00 0.00 0.00 27.41 27.68 2yts h HIS 27 CO -0.02 -0.17 -0.13 1.25 -0.00 0.00 0.00 177.93 178.86 2yts h LEU 28 N 0.15 -0.32 -1.94 0.26 5.85 -1.34 0.99 115.31 118.97 2yts h LEU 28 Ca 0.39 -0.21 0.18 0.00 0.84 0.00 0.00 57.88 59.07 2yts h LEU 28 Cb 0.66 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 2yts h LEU 28 CO -0.58 0.09 0.55 -1.13 -0.34 0.00 0.00 178.44 177.03 2yts h ASN 29 N -0.78 0.00 0.00 1.25 -1.24 -0.45 0.29 115.58 114.65 2yts h ASN 29 Ca -0.04 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 56.90 2yts h ASN 29 Cb 0.51 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.55 2yts h ASN 29 CO 0.06 0.00 -0.49 0.03 -1.29 0.00 0.00 177.43 175.74 2yts h ARG 30 N 0.00 0.00 -0.79 6.67 3.08 -0.45 -3.37 114.38 119.51 2yts h ARG 30 Ca 0.29 0.00 0.16 0.00 0.07 0.00 0.00 59.98 60.50 2yts h ARG 30 Cb 1.39 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 31.34 2yts h ARG 30 CO -0.00 0.54 0.32 1.25 -1.07 0.00 0.00 179.97 181.00 2yts h HIS 31 N -1.00 0.54 -0.06 3.04 2.76 -0.11 0.44 115.15 120.77 2yts h HIS 31 Ca -0.10 0.04 0.02 0.00 -2.20 0.00 0.00 60.37 58.12 2yts h HIS 31 Cb 0.75 -0.12 -0.00 0.00 1.55 0.00 0.00 27.41 29.59 2yts h HIS 31 CO 0.04 0.04 0.35 0.00 -1.30 0.00 0.00 177.93 177.06 2yts h ARG 32 N 0.44 0.00 -0.88 5.26 3.08 -1.13 -0.54 114.38 120.61 2yts h ARG 32 Ca 0.45 0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.64 2yts h ARG 32 Cb 0.72 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.70 2yts h ARG 32 CO -0.43 0.00 0.57 0.07 -1.07 0.00 0.00 179.97 179.10 2yts h ARG 33 N 0.00 0.66 -0.10 0.04 0.11 -0.25 0.21 114.38 115.04 2yts h ARG 33 Ca 0.03 -0.04 0.03 0.00 0.10 0.00 0.00 59.98 60.10 2yts h ARG 33 Cb 0.72 -0.15 -0.00 0.00 1.11 0.00 0.00 29.97 31.65 2yts h ARG 33 CO -0.00 0.44 0.17 -0.84 0.10 0.00 0.00 179.97 179.84 2yts h ILE 34 N 0.68 0.30 0.00 0.08 3.07 -1.26 -3.26 117.51 117.12 2yts h ILE 34 Ca 0.44 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.85 2yts h ILE 34 Cb 0.71 0.85 0.00 0.00 -0.27 0.00 0.00 36.82 38.11 2yts h ILE 34 CO -0.19 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 178.32 2yts n HIS 35 N -3.50 0.00 -1.34 0.16 8.25 0.64 -4.99 115.22 114.43 2yts n HIS 35 Ca -0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.06 2yts n HIS 35 Cb 0.27 -0.05 0.02 0.00 1.12 0.00 0.00 29.99 31.35 2yts n HIS 35 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2yts n THR 36 N -2.43 0.94 0.00 1.59 -2.24 -0.63 -4.90 114.28 106.60 2yts n THR 36 Ca 0.00 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 2yts n THR 36 Cb 0.00 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 67.97 2yts n THR 36 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2yts n GLY 37 N 2.19 3.18 3.68 3.38 0.00 -1.26 -4.84 105.19 111.52 2yts n GLY 37 Ca 0.10 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.02 2yts n GLY 37 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yts s GLU 38 N -2.04 4.25 -0.07 1.61 2.02 -1.26 -5.01 118.70 118.21 2yts s GLU 38 Ca 0.00 1.97 0.01 0.00 0.02 0.00 0.00 54.97 56.98 2yts s GLU 38 Cb 0.00 -3.68 -0.03 0.00 0.10 0.00 0.00 34.13 30.52 2yts s GLU 38 CO 0.00 -0.65 -0.09 0.21 0.02 0.00 0.00 175.26 174.75 2yts s LYS 39 N 2.89 2.72 0.00 1.61 2.20 -1.26 -4.99 119.74 122.90 2yts s LYS 39 Ca 0.65 -0.59 0.15 0.00 -0.36 0.00 0.00 55.97 55.81 2yts s LYS 39 Cb -0.30 -2.54 0.83 0.00 -1.51 0.00 0.00 37.83 34.31 2yts s LYS 39 CO 0.25 0.63 1.38 -0.35 -0.36 0.00 0.00 175.35 176.90 2yts n PRO 40 N 2.32 0.33 0.25 4.03 -0.04 -1.26 -3.71 135.00 136.92 2yts n PRO 40 Ca -0.18 0.08 -0.13 0.00 -0.04 0.00 0.00 63.50 63.24 2yts n PRO 40 Cb 0.53 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.42 2yts n PRO 40 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2yts h SER 41 N 0.00 -0.89 0.00 3.54 4.64 -2.01 -3.48 113.55 115.34 2yts h SER 41 Ca 0.00 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2yts h SER 41 Cb 0.08 0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 2yts h SER 41 CO 0.00 -0.48 0.00 0.61 -0.87 0.00 0.00 176.83 176.09 2yts n GLY 42 N -1.40 2.68 0.00 -0.77 0.00 -1.24 -4.98 105.19 99.47 2yts n GLY 42 Ca -0.09 -0.56 0.07 0.00 0.00 0.00 0.00 46.02 45.44 2yts n GLY 42 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yts n PRO 43 N -0.70 0.08 -1.20 1.61 -0.04 -1.26 -4.34 135.00 129.16 2yts n PRO 43 Ca 0.00 0.21 -0.40 0.00 -0.04 0.00 0.00 63.50 63.27 2yts n PRO 43 Cb 0.00 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 31.92 2yts n PRO 43 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2yts n SER 44 N -1.42 3.20 -3.61 3.54 7.64 -1.26 -4.78 113.62 116.93 2yts n SER 44 Ca 0.05 -2.66 -0.16 0.00 1.01 0.00 0.00 58.87 57.12 2yts n SER 44 Cb 0.15 -1.21 -0.07 0.00 -1.01 0.00 0.00 64.21 62.06 2yts n SER 44 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2yts s SER 45 N 4.42 -0.59 0.00 6.43 0.01 -1.26 -5.21 113.70 117.50 2yts s SER 45 Ca 0.54 0.86 0.29 0.00 1.31 0.00 0.00 55.95 58.95 2yts s SER 45 Cb 0.14 0.82 1.36 0.00 0.21 0.00 0.00 66.02 68.55 2yts s SER 45 CO 0.06 -0.42 1.92 0.61 0.41 0.00 0.00 173.24 175.82