#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2emy s SER 2 N 0.00 2.64 0.73 1.61 0.01 -1.26 -5.14 113.70 112.30 2emy s SER 2 Ca 0.00 -0.45 -0.12 0.00 1.31 0.00 0.00 55.95 56.69 2emy s SER 2 Cb 0.00 -0.94 0.03 0.00 0.21 0.00 0.00 66.02 65.32 2emy s SER 2 CO 0.00 0.16 1.12 -0.55 0.41 0.00 0.00 173.24 174.38 2emy s SER 3 N 0.16 5.22 -0.54 2.44 0.15 -1.26 -5.05 113.70 114.81 2emy s SER 3 Ca -0.10 1.06 0.05 0.00 0.70 0.00 0.00 55.95 57.65 2emy s SER 3 Cb -0.15 -1.78 0.18 0.00 -1.71 0.00 0.00 66.02 62.56 2emy s SER 3 CO 0.05 -1.48 0.43 0.61 1.20 0.00 0.00 173.24 174.05 2emy n GLY 4 N -3.06 3.07 3.69 9.45 0.00 -1.26 -5.10 105.19 111.99 2emy n GLY 4 Ca 0.07 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.75 2emy n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2emy s SER 5 N -0.75 6.52 -0.22 1.61 0.15 -1.26 -4.98 113.70 114.77 2emy s SER 5 Ca 0.30 2.62 -0.03 0.00 0.70 0.00 0.00 55.95 59.54 2emy s SER 5 Cb 0.02 -2.57 0.11 0.00 -1.71 0.00 0.00 66.02 61.86 2emy s SER 5 CO -0.18 -0.93 0.27 -0.94 1.20 0.00 0.00 173.24 172.66 2emy s SER 6 N 2.30 1.11 -0.41 5.45 1.04 -1.26 -5.08 113.70 116.86 2emy s SER 6 Ca 0.76 -0.15 0.05 0.00 0.48 0.00 0.00 55.95 57.10 2emy s SER 6 Cb -0.43 0.58 0.20 0.00 0.10 0.00 0.00 66.02 66.47 2emy s SER 6 CO 0.34 -0.32 0.42 0.61 0.98 0.00 0.00 173.24 175.26 2emy n GLY 7 N 5.33 2.24 3.76 7.32 0.00 -1.26 -5.12 105.19 117.46 2emy n GLY 7 Ca -0.05 -1.30 -0.39 0.00 0.00 0.00 0.00 46.02 44.28 2emy n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2emy s THR 8 N -0.31 3.98 0.00 2.61 -1.32 -1.26 -4.92 115.64 114.42 2emy s THR 8 Ca 0.34 1.87 0.00 0.00 -1.21 0.00 0.00 61.69 62.68 2emy s THR 8 Cb 0.08 -4.14 0.00 0.00 -1.51 0.00 0.00 72.50 66.94 2emy s THR 8 CO -0.17 0.35 0.00 0.61 -2.21 0.00 0.00 174.62 173.20 2emy n GLY 9 N 1.12 -0.72 3.56 6.08 0.00 -1.26 -5.07 105.19 108.89 2emy n GLY 9 Ca -0.00 0.36 -0.33 0.00 0.00 0.00 0.00 46.02 46.05 2emy n GLY 9 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2emy s GLU 10 N 0.00 3.00 -0.14 1.61 2.56 -1.26 -4.92 118.70 119.55 2emy s GLU 10 Ca 0.00 -0.66 -0.01 0.00 0.00 0.00 0.00 54.97 54.31 2emy s GLU 10 Cb 0.00 -5.19 0.04 0.00 2.00 0.00 0.00 34.13 30.97 2emy s GLU 10 CO 0.00 -2.88 -0.04 -0.80 -0.56 0.00 0.00 175.26 170.98 2emy s ASN 11 N 6.70 2.49 0.00 -1.70 0.01 -1.26 -4.85 114.94 116.33 2emy s ASN 11 Ca 0.60 -0.50 0.15 0.00 -0.71 0.00 0.00 52.86 52.39 2emy s ASN 11 Cb -0.04 -0.79 0.69 0.00 0.41 0.00 0.00 41.25 41.52 2emy s ASN 11 CO -0.05 -0.18 1.43 -0.81 -1.51 0.00 0.00 177.10 175.98 2emy n PRO 12 N 4.95 0.12 -3.83 -0.60 -0.04 -1.25 -4.40 135.00 129.95 2emy n PRO 12 Ca -0.11 0.19 -0.36 0.00 -0.04 0.00 0.00 63.50 63.19 2emy n PRO 12 Cb 0.49 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.32 2emy n PRO 12 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2emy s TYR 13 N -2.76 3.50 0.00 0.54 1.51 -1.15 -5.02 117.35 113.97 2emy s TYR 13 Ca 0.11 -2.26 0.07 0.00 -1.01 0.00 0.00 57.07 53.98 2emy s TYR 13 Cb 0.10 -2.87 -0.03 0.00 -0.11 0.00 0.00 41.96 39.05 2emy s TYR 13 CO 0.24 -0.92 -0.22 -1.21 -1.11 0.00 0.00 175.55 172.34 2emy s GLU 14 N 1.17 2.12 -0.05 -0.62 2.02 -1.26 0.90 118.70 122.98 2emy s GLU 14 Ca 0.04 -0.93 -0.30 0.00 0.02 0.00 0.00 54.97 53.81 2emy s GLU 14 Cb -0.22 -2.13 -0.04 0.00 0.10 0.00 0.00 34.13 31.84 2emy s GLU 14 CO -0.03 0.56 1.36 0.00 0.02 0.00 0.00 175.26 177.16 2emy n HIS 16 N 5.81 0.63 0.02 0.00 1.44 -1.26 -2.56 115.22 119.30 2emy n HIS 16 Ca 0.13 -0.73 0.00 0.00 -2.01 0.00 0.00 57.72 55.11 2emy n HIS 16 Cb 0.44 -0.38 0.00 0.00 0.12 0.00 0.00 29.99 30.17 2emy n HIS 16 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 2emy n GLU 17 N 0.15 0.00 -0.09 -1.40 1.02 -1.26 -4.96 120.64 114.10 2emy n GLU 17 Ca 0.12 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 57.08 2emy n GLU 17 Cb 0.72 -0.40 -0.07 0.00 -0.02 0.00 0.00 31.44 31.68 2emy n GLU 17 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2emy n GLY 19 N 2.00 1.29 3.95 0.00 0.00 -1.06 -5.06 105.19 106.31 2emy n GLY 19 Ca -0.35 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.39 2emy n GLY 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2emy s LYS 20 N 0.00 0.97 -0.00 1.61 2.20 -1.26 -4.79 119.74 118.47 2emy s LYS 20 Ca 0.00 -0.63 -0.07 0.00 -0.36 0.00 0.00 55.97 54.91 2emy s LYS 20 Cb 0.00 -2.00 0.00 0.00 -1.51 0.00 0.00 37.83 34.33 2emy s LYS 20 CO 0.00 -2.11 0.15 0.00 -0.36 0.00 0.00 175.35 173.02 2emy s ALA 21 N -3.66 -0.35 -0.03 3.13 0.00 -1.26 -1.39 121.76 118.20 2emy s ALA 21 Ca 0.72 -0.06 -0.09 0.00 0.00 0.00 0.00 51.96 52.53 2emy s ALA 21 Cb -0.04 0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.16 2emy s ALA 21 CO 0.50 -0.20 0.20 -0.06 0.00 0.00 0.00 175.76 176.20 2emy s PHE 22 N -1.23 -0.09 0.04 0.00 0.40 0.26 -4.96 117.98 112.40 2emy s PHE 22 Ca -0.13 0.18 -0.24 0.00 -0.60 0.00 0.00 56.93 56.13 2emy s PHE 22 Cb -0.07 0.02 -0.17 0.00 0.51 0.00 0.00 43.02 43.31 2emy s PHE 22 CO 0.02 -0.25 1.53 0.77 0.70 0.00 0.00 175.22 177.99 2emy h SER 23 N 4.69 -0.03 -1.81 1.36 0.02 -1.89 -3.06 113.55 112.84 2emy h SER 23 Ca -0.29 -0.20 -0.47 0.00 -0.84 0.00 0.00 61.79 59.99 2emy h SER 23 Cb 1.19 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.72 2emy h SER 23 CO 0.39 0.18 -0.40 -0.13 -1.14 0.00 0.00 176.83 175.73 2emy s ARG 24 N -5.37 2.86 0.03 3.45 0.52 -1.26 -4.62 118.95 114.55 2emy s ARG 24 Ca -0.14 -1.21 -0.26 0.00 -0.52 0.00 0.00 55.73 53.60 2emy s ARG 24 Cb 0.04 -2.60 -0.17 0.00 0.52 0.00 0.00 34.95 32.74 2emy s ARG 24 CO 0.66 0.06 1.38 -0.22 0.02 0.00 0.00 175.30 177.21 2emy h LYS 25 N 1.10 -0.36 -0.90 3.54 1.63 -1.97 -3.08 116.57 116.54 2emy h LYS 25 Ca -0.45 0.02 0.15 0.00 -0.85 0.00 0.00 60.65 59.52 2emy h LYS 25 Cb 1.26 0.08 -0.09 0.00 -0.60 0.00 0.00 32.23 32.87 2emy h LYS 25 CO 0.56 -0.09 0.50 0.10 -3.45 0.00 0.00 179.45 177.07 2emy h TYR 26 N -0.63 0.88 -0.42 1.91 -0.00 -1.99 0.23 116.97 116.96 2emy h TYR 26 Ca -0.04 0.03 0.12 0.00 -0.00 0.00 0.00 58.73 58.85 2emy h TYR 26 Cb 0.45 -0.26 -0.02 0.00 -0.00 0.00 0.00 36.73 36.90 2emy h TYR 26 CO 0.01 0.24 0.46 1.96 -0.00 0.00 0.00 178.16 180.82 2emy h GLN 27 N 0.71 0.00 0.11 0.10 4.20 -1.94 -0.62 115.11 117.67 2emy h GLN 27 Ca 0.49 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.89 2emy h GLN 27 Cb 0.66 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 2emy h GLN 27 CO -0.35 0.00 -1.62 1.25 -0.67 0.00 0.00 178.83 177.44 2emy h LEU 28 N 0.00 0.35 -0.56 1.46 5.85 -0.58 -3.35 115.31 118.48 2emy h LEU 28 Ca 0.20 -0.84 0.08 0.00 0.84 0.00 0.00 57.88 58.16 2emy h LEU 28 Cb 1.12 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.97 2emy h LEU 28 CO -0.00 1.70 0.21 0.40 -0.34 0.00 0.00 178.44 180.41 2emy h ILE 29 N -0.26 0.81 -0.67 4.05 5.03 -0.57 -0.32 117.51 125.58 2emy h ILE 29 Ca -0.36 -0.14 0.12 0.00 -0.12 0.00 0.00 64.86 64.37 2emy h ILE 29 Cb 1.81 0.38 -0.04 0.00 -3.03 0.00 0.00 36.82 35.93 2emy h ILE 29 CO 0.03 0.07 0.45 -1.28 -0.68 0.00 0.00 178.15 176.74 2emy h SER 30 N 0.40 0.38 -0.03 1.72 0.87 -1.45 -2.01 113.55 113.42 2emy h SER 30 Ca 0.27 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.81 2emy h SER 30 Cb 0.31 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 2emy h SER 30 CO -0.27 0.22 -0.12 -0.74 -0.53 0.00 0.00 176.83 175.39 2emy h HIS 31 N 0.42 0.17 -1.11 2.24 -0.00 -1.23 -3.19 115.15 112.46 2emy h HIS 31 Ca 0.32 -0.07 0.31 0.00 -0.00 0.00 0.00 60.37 60.92 2emy h HIS 31 Cb 0.68 -0.03 -0.07 0.00 -0.00 0.00 0.00 27.41 27.99 2emy h HIS 31 CO -0.00 0.75 0.75 1.96 -0.00 0.00 0.00 177.93 181.40 2emy h GLN 32 N -0.46 0.19 -1.11 5.26 4.20 -0.56 0.37 115.11 123.00 2emy h GLN 32 Ca -0.01 -0.01 0.38 0.00 0.06 0.00 0.00 58.65 59.07 2emy h GLN 32 Cb 0.76 -0.04 -0.14 0.00 0.30 0.00 0.00 27.48 28.36 2emy h GLN 32 CO 0.02 0.13 0.66 0.00 -0.67 0.00 0.00 178.83 178.98 2emy h ARG 33 N 0.20 0.18 -0.99 1.46 2.47 -1.47 0.92 114.38 117.14 2emy h ARG 33 Ca 0.58 -0.01 0.01 0.00 -1.26 0.00 0.00 59.98 59.30 2emy h ARG 33 Cb 1.88 -0.04 -0.05 0.00 -1.65 0.00 0.00 29.97 30.11 2emy h ARG 33 CO -0.17 0.12 0.66 1.79 0.56 0.00 0.00 179.97 182.92 2emy h THR 34 N 0.18 1.26 -0.15 2.04 1.35 -1.12 -2.74 112.91 113.72 2emy h THR 34 Ca 0.78 -0.47 -0.17 0.00 -0.55 0.00 0.00 66.41 66.01 2emy h THR 34 Cb 2.09 -0.20 0.01 0.00 -1.73 0.00 0.00 68.15 68.31 2emy h THR 34 CO -0.56 0.25 -0.55 0.45 -0.25 0.00 0.00 175.52 174.86 2emy h HIS 35 N 1.35 0.85 -2.44 4.73 3.86 0.67 -3.45 115.15 120.71 2emy h HIS 35 Ca 0.36 -0.35 -0.61 0.00 -1.16 0.00 0.00 60.37 58.61 2emy h HIS 35 Cb -0.15 -0.14 0.11 0.00 1.06 0.00 0.00 27.41 28.28 2emy h HIS 35 CO -0.00 1.14 0.18 0.00 0.86 0.00 0.00 177.93 180.11 2emy n ALA 36 N -2.56 -0.19 -3.00 2.45 0.00 -0.53 -4.95 120.51 111.74 2emy n ALA 36 Ca -0.07 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.77 2emy n ALA 36 Cb 0.62 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 18.04 2emy n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2emy n GLY 37 N 1.34 1.48 3.68 0.00 0.00 -1.26 -4.97 105.19 105.45 2emy n GLY 37 Ca 0.10 -0.93 -0.10 0.00 0.00 0.00 0.00 46.02 45.10 2emy n GLY 37 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2emy s GLU 38 N -1.86 1.82 0.44 1.61 2.02 -1.26 -5.16 118.70 116.31 2emy s GLU 38 Ca 0.00 -1.34 -0.22 0.00 0.02 0.00 0.00 54.97 53.43 2emy s GLU 38 Cb 0.00 0.53 -0.09 0.00 0.10 0.00 0.00 34.13 34.67 2emy s GLU 38 CO 0.00 -0.80 1.05 0.15 0.02 0.00 0.00 175.26 175.68 2emy s LYS 39 N -3.42 3.99 0.00 1.61 3.01 -1.26 -4.92 119.74 118.75 2emy s LYS 39 Ca 0.20 1.47 0.15 0.00 -1.01 0.00 0.00 55.97 56.78 2emy s LYS 39 Cb -0.03 -2.35 0.91 0.00 -1.01 0.00 0.00 37.83 35.35 2emy s LYS 39 CO 0.11 -0.28 1.32 -0.35 0.51 0.00 0.00 175.35 176.66 2emy n PRO 40 N -0.46 0.49 -4.02 -1.68 -0.04 -1.26 -4.59 135.00 123.44 2emy n PRO 40 Ca 0.07 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.35 2emy n PRO 40 Cb 0.51 -1.49 -0.16 0.00 -0.04 0.00 0.00 33.50 32.32 2emy n PRO 40 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2emy s SER 41 N -1.99 0.58 0.00 3.54 0.15 -1.26 -5.13 113.70 109.59 2emy s SER 41 Ca 0.23 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.82 2emy s SER 41 Cb 0.10 -0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.13 2emy s SER 41 CO 0.18 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.15 2emy n GLY 42 N 4.04 -2.03 0.00 9.45 0.00 -1.26 -4.96 105.19 110.43 2emy n GLY 42 Ca -0.26 -1.17 0.05 0.00 0.00 0.00 0.00 46.02 44.64 2emy n GLY 42 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2emy n PRO 43 N -0.50 0.49 -1.01 1.61 -0.04 -1.26 -4.88 135.00 129.41 2emy n PRO 43 Ca 0.00 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.07 2emy n PRO 43 Cb 0.00 -1.31 -0.06 0.00 -0.04 0.00 0.00 33.50 32.10 2emy n PRO 43 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2emy n SER 44 N -0.81 0.50 -4.56 3.54 2.88 -1.26 -4.61 113.62 109.30 2emy n SER 44 Ca 0.07 0.71 -0.20 0.00 -1.33 0.00 0.00 58.87 58.13 2emy n SER 44 Cb 0.03 -0.54 -0.06 0.00 -0.75 0.00 0.00 64.21 62.90 2emy n SER 44 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2emy s SER 45 N 1.25 4.22 0.00 -3.46 0.15 -1.26 -5.21 113.70 109.38 2emy s SER 45 Ca 0.61 0.07 0.00 0.00 0.70 0.00 0.00 55.95 57.33 2emy s SER 45 Cb -0.86 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 60.91 2emy s SER 45 CO 0.45 -3.51 0.00 0.61 1.20 0.00 0.00 173.24 171.99