#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 5.06 -0.29 1.61 0.01 -1.26 -4.99 113.70 113.84 2emy s SER 2 Ca 0.00 -0.10 0.17 0.00 1.31 0.00 0.00 55.95 57.32 2emy s SER 2 Cb 0.00 -1.86 0.48 0.00 0.21 0.00 0.00 66.02 64.86 2emy s SER 2 CO 0.00 0.12 1.11 -1.54 0.41 0.00 0.00 173.24 173.34 2emy n SER 3 N 3.87 2.71 0.00 2.44 3.41 -1.26 -5.10 113.62 119.70 2emy n SER 3 Ca -0.17 -2.72 0.00 0.00 -0.26 0.00 0.00 58.87 55.72 2emy n SER 3 Cb 0.52 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 2emy n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2emy n GLY 4 N -0.54 0.42 3.59 5.00 0.00 -1.26 -5.14 105.19 107.25 2emy n GLY 4 Ca 0.20 -1.67 -0.26 0.00 0.00 0.00 0.00 46.02 44.30 2emy n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2emy s SER 5 N -4.00 3.93 0.05 1.61 1.04 -1.26 -5.07 113.70 110.00 2emy s SER 5 Ca 0.00 -1.13 -0.31 0.00 0.48 0.00 0.00 55.95 54.99 2emy s SER 5 Cb 0.00 -0.42 -0.18 0.00 0.10 0.00 0.00 66.02 65.52 2emy s SER 5 CO 0.00 -0.24 1.47 0.28 0.98 0.00 0.00 173.24 175.73 2emy h SER 6 N 1.91 -0.71 0.00 7.02 0.02 -2.07 -3.49 113.55 116.23 2emy h SER 6 Ca -0.42 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 2emy h SER 6 Cb 1.25 0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.97 2emy h SER 6 CO 0.70 -0.44 0.00 0.61 -1.14 0.00 0.00 176.83 176.56 2emy n GLY 7 N -1.15 0.39 3.23 -3.77 0.00 -1.26 -5.10 105.19 97.53 2emy n GLY 7 Ca -0.13 -1.77 -0.13 0.00 0.00 0.00 0.00 46.02 43.99 2emy n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2emy s THR 8 N -1.81 0.13 0.00 2.61 -4.23 -1.26 -5.17 115.64 105.91 2emy s THR 8 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 2emy s THR 8 Cb 0.00 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 71.32 2emy s THR 8 CO 0.00 -0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.68 2emy n GLY 9 N -0.31 1.51 3.02 3.99 0.00 -1.26 -5.05 105.19 107.09 2emy n GLY 9 Ca 0.01 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 2emy n GLY 9 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2emy n GLU 10 N -0.56 4.26 -3.73 1.61 1.02 -1.26 -4.88 120.64 117.10 2emy n GLU 10 Ca 0.00 -4.55 -0.28 0.00 -0.02 0.00 0.00 57.16 52.31 2emy n GLU 10 Cb 0.00 -2.50 -0.11 0.00 -0.02 0.00 0.00 31.44 28.81 2emy n GLU 10 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 2emy n ASN 11 N 1.47 2.65 0.00 1.62 0.23 -1.26 -4.61 115.26 115.35 2emy n ASN 11 Ca 0.26 -3.14 0.07 0.00 -0.53 0.00 0.00 54.58 51.24 2emy n ASN 11 Cb 0.34 -0.71 0.38 0.00 -2.08 0.00 0.00 39.78 37.70 2emy n ASN 11 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 2emy n PRO 12 N 1.83 0.22 -3.98 -0.53 -0.04 -1.25 -4.40 135.00 126.85 2emy n PRO 12 Ca 0.23 0.14 -0.31 0.00 -0.04 0.00 0.00 63.50 63.52 2emy n PRO 12 Cb 0.38 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.19 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 -2.55 2.98 0.04 0.54 2.02 -1.20 -5.04 117.35 114.14 2emy s TYR 13 Ca 0.14 -2.28 0.09 0.00 -0.37 0.00 0.00 57.07 54.66 2emy s TYR 13 Cb 0.10 -2.08 -0.03 0.00 -0.40 0.00 0.00 41.96 39.55 2emy s TYR 13 CO 0.22 -0.87 -0.26 -1.21 -1.57 0.00 0.00 175.55 171.87 2emy s GLU 14 N 1.19 1.81 -0.10 -0.62 2.02 -1.26 0.51 118.70 122.24 2emy s GLU 14 Ca -0.00 -1.10 -0.30 0.00 0.02 0.00 0.00 54.97 53.59 2emy s GLU 14 Cb -0.19 -1.97 -0.03 0.00 0.10 0.00 0.00 34.13 32.04 2emy s GLU 14 CO -0.08 0.51 1.30 0.00 0.02 0.00 0.00 175.26 177.01 2emy n HIS 16 N 6.09 0.65 0.02 0.00 1.44 -1.26 -2.47 115.22 119.69 2emy n HIS 16 Ca 0.13 -0.95 0.00 0.00 -2.01 0.00 0.00 57.72 54.89 2emy n HIS 16 Cb 0.45 -0.48 0.00 0.00 0.12 0.00 0.00 29.99 30.08 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 0.37 0.00 -0.07 -1.40 1.02 -1.26 -4.96 120.64 114.35 2emy n GLU 17 Ca 0.13 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.15 2emy n GLU 17 Cb 0.69 -0.31 -0.06 0.00 -0.02 0.00 0.00 31.44 31.74 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 2.50 1.51 3.86 0.00 0.00 -1.03 -5.07 105.19 106.96 2emy n GLY 19 Ca -0.25 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 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 1.07 -0.01 1.61 2.20 -1.26 -4.77 119.74 118.59 2emy s LYS 20 Ca 0.00 -0.03 -0.03 0.00 -0.36 0.00 0.00 55.97 55.55 2emy s LYS 20 Cb 0.00 -1.86 -0.00 0.00 -1.51 0.00 0.00 37.83 34.46 2emy s LYS 20 CO 0.00 -2.19 0.06 0.00 -0.36 0.00 0.00 175.35 172.86 2emy s ALA 21 N -3.56 -0.13 0.05 3.13 0.00 -1.26 -1.17 121.76 118.82 2emy s ALA 21 Ca 0.67 -0.12 -0.03 0.00 0.00 0.00 0.00 51.96 52.49 2emy s ALA 21 Cb -0.09 0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 2emy s ALA 21 CO 0.52 -0.12 0.02 -0.06 0.00 0.00 0.00 175.76 176.12 2emy s PHE 22 N -0.79 0.37 -0.07 0.00 0.40 0.18 -4.98 117.98 113.10 2emy s PHE 22 Ca -0.09 -0.81 -0.26 0.00 -0.60 0.00 0.00 56.93 55.16 2emy s PHE 22 Cb -0.05 -0.27 -0.22 0.00 0.51 0.00 0.00 43.02 42.99 2emy s PHE 22 CO 0.00 -0.36 1.04 0.77 0.70 0.00 0.00 175.22 177.37 2emy h SER 23 N 3.47 -0.02 -1.75 1.36 0.02 -1.85 -3.18 113.55 111.60 2emy h SER 23 Ca -0.33 -0.66 -0.48 0.00 -0.84 0.00 0.00 61.79 59.48 2emy h SER 23 Cb 1.17 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.68 2emy h SER 23 CO 0.58 0.66 -0.41 -0.13 -1.14 0.00 0.00 176.83 176.39 2emy s ARG 24 N -3.43 2.76 0.04 3.45 0.52 -1.26 -4.61 118.95 116.42 2emy s ARG 24 Ca -0.17 -1.29 -0.26 0.00 -0.52 0.00 0.00 55.73 53.49 2emy s ARG 24 Cb -0.00 -2.53 -0.17 0.00 0.52 0.00 0.00 34.95 32.77 2emy s ARG 24 CO 0.66 0.02 1.48 -0.22 0.02 0.00 0.00 175.30 177.25 2emy h LYS 25 N 1.12 -0.29 -0.87 3.54 1.63 -1.96 -3.02 116.57 116.71 2emy h LYS 25 Ca -0.44 0.02 0.12 0.00 -0.85 0.00 0.00 60.65 59.50 2emy h LYS 25 Cb 1.26 0.07 -0.08 0.00 -0.60 0.00 0.00 32.23 32.87 2emy h LYS 25 CO 0.56 -0.06 0.49 0.10 -3.45 0.00 0.00 179.45 177.09 2emy h TYR 26 N -0.49 0.87 -0.63 1.91 -0.00 -1.99 0.11 116.97 116.75 2emy h TYR 26 Ca -0.03 0.03 0.18 0.00 -0.00 0.00 0.00 58.73 58.91 2emy h TYR 26 Cb 0.37 -0.26 -0.03 0.00 -0.00 0.00 0.00 36.73 36.81 2emy h TYR 26 CO -0.01 0.30 0.57 1.96 -0.00 0.00 0.00 178.16 180.98 2emy h GLN 27 N 0.76 0.00 0.07 0.10 4.20 -1.94 -0.71 115.11 117.59 2emy h GLN 27 Ca 0.44 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.90 2emy h GLN 27 Cb 0.51 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.27 2emy h GLN 27 CO -0.30 0.00 -1.35 1.25 -0.67 0.00 0.00 178.83 177.76 2emy h LEU 28 N 0.00 0.22 -0.50 1.46 5.85 -0.82 -3.35 115.31 118.17 2emy h LEU 28 Ca 0.30 -0.75 0.09 0.00 0.84 0.00 0.00 57.88 58.36 2emy h LEU 28 Cb 1.44 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 42.32 2emy h LEU 28 CO -0.00 1.57 0.07 0.40 -0.34 0.00 0.00 178.44 180.13 2emy h ILE 29 N -0.55 0.68 -0.65 4.05 5.03 -0.57 0.81 117.51 126.31 2emy h ILE 29 Ca -0.32 -0.07 0.16 0.00 -0.12 0.00 0.00 64.86 64.52 2emy h ILE 29 Cb 1.58 0.47 -0.03 0.00 -3.03 0.00 0.00 36.82 35.81 2emy h ILE 29 CO -0.04 0.04 0.45 -1.28 -0.68 0.00 0.00 178.15 176.64 2emy h SER 30 N 0.20 0.14 0.00 1.72 0.87 -1.37 -1.56 113.55 113.55 2emy h SER 30 Ca 0.25 0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.75 2emy h SER 30 Cb 0.36 -0.02 0.01 0.00 -0.44 0.00 0.00 62.40 62.30 2emy h SER 30 CO -0.36 0.07 -0.28 -0.74 -0.53 0.00 0.00 176.83 174.99 2emy h HIS 31 N 0.15 0.28 -0.92 2.24 -0.00 -1.02 -3.23 115.15 112.65 2emy h HIS 31 Ca 0.31 -0.15 0.27 0.00 -0.00 0.00 0.00 60.37 60.79 2emy h HIS 31 Cb 1.03 -0.03 -0.04 0.00 -0.00 0.00 0.00 27.41 28.37 2emy h HIS 31 CO -0.00 0.97 0.71 1.96 -0.00 0.00 0.00 177.93 181.57 2emy h GLN 32 N -0.49 0.00 -0.96 5.26 4.20 -0.24 0.15 115.11 123.03 2emy h GLN 32 Ca -0.04 0.00 0.25 0.00 0.06 0.00 0.00 58.65 58.93 2emy h GLN 32 Cb 1.05 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.77 2emy h GLN 32 CO 0.06 0.00 0.66 0.00 -0.67 0.00 0.00 178.83 178.87 2emy h ARG 33 N 0.00 0.21 -0.44 1.46 2.47 -1.50 0.30 114.38 116.88 2emy h ARG 33 Ca 0.44 -0.01 -0.09 0.00 -1.26 0.00 0.00 59.98 59.05 2emy h ARG 33 Cb 1.86 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 30.11 2emy h ARG 33 CO -0.00 0.14 -0.09 1.79 0.56 0.00 0.00 179.97 182.36 2emy h THR 34 N 0.22 1.26 -0.17 2.04 1.35 -0.89 -3.03 112.91 113.67 2emy h THR 34 Ca 0.49 -1.15 -0.21 0.00 -0.55 0.00 0.00 66.41 65.00 2emy h THR 34 Cb 1.55 1.02 0.01 0.00 -1.73 0.00 0.00 68.15 69.00 2emy h THR 34 CO -0.12 0.39 -0.71 0.45 -0.25 0.00 0.00 175.52 175.28 2emy h HIS 35 N 0.71 1.05 -0.45 4.73 3.86 -0.59 -3.44 115.15 121.03 2emy h HIS 35 Ca 0.12 -0.45 -0.69 0.00 -1.16 0.00 0.00 60.37 58.19 2emy h HIS 35 Cb 0.57 -0.17 -0.04 0.00 1.06 0.00 0.00 27.41 28.84 2emy h HIS 35 CO 0.03 1.28 1.41 0.00 0.86 0.00 0.00 177.93 181.51 2emy n ALA 36 N -2.60 0.56 -0.43 2.45 0.00 -0.62 -4.37 120.51 115.50 2emy n ALA 36 Ca -0.07 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2emy n ALA 36 Cb 0.71 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.86 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 7.00 -1.98 3.54 0.00 0.00 -1.26 -5.01 105.19 107.48 2emy n GLY 37 Ca 0.51 0.58 -0.33 0.00 0.00 0.00 0.00 46.02 46.77 2emy n GLY 37 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2emy n GLU 38 N -1.62 0.77 -4.39 1.61 0.28 -1.26 -4.91 120.64 111.12 2emy n GLU 38 Ca 0.00 -0.13 -0.26 0.00 -0.16 0.00 0.00 57.16 56.61 2emy n GLU 38 Cb 0.00 -3.10 -0.13 0.00 1.43 0.00 0.00 31.44 29.64 2emy n GLU 38 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2emy s LYS 39 N 8.46 1.28 1.17 3.44 -0.14 -1.26 -5.15 119.74 127.54 2emy s LYS 39 Ca 1.04 -1.19 -0.18 0.00 -1.36 0.00 0.00 55.97 54.28 2emy s LYS 39 Cb -0.36 -1.60 0.27 0.00 -1.68 0.00 0.00 37.83 34.46 2emy s LYS 39 CO 0.28 0.38 1.11 -1.25 -0.76 0.00 0.00 175.35 175.11 2emy s PRO 40 N -1.83 -0.95 0.58 -1.68 0.04 -1.26 -4.97 135.00 124.92 2emy s PRO 40 Ca 0.09 0.04 -0.20 0.00 0.04 0.00 0.00 61.00 60.97 2emy s PRO 40 Cb -0.10 -1.62 -0.04 0.00 0.04 0.00 0.00 34.50 32.78 2emy s PRO 40 CO 0.04 -3.55 1.22 -1.13 0.04 0.00 0.00 177.00 173.62 2emy n SER 41 N -4.67 1.94 0.00 6.66 3.41 -1.26 -4.76 113.62 114.94 2emy n SER 41 Ca 0.12 0.90 0.00 0.00 -0.26 0.00 0.00 58.87 59.62 2emy n SER 41 Cb 0.59 -1.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.03 2emy n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2emy n GLY 42 N 0.97 0.71 3.55 5.00 0.00 -1.26 -5.01 105.19 109.15 2emy n GLY 42 Ca 0.13 -0.68 -0.34 0.00 0.00 0.00 0.00 46.02 45.13 2emy n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2emy s PRO 43 N -0.10 2.59 -0.26 1.61 0.04 -1.26 -4.75 135.00 132.87 2emy s PRO 43 Ca 0.00 0.24 0.18 0.00 0.04 0.00 0.00 61.00 61.46 2emy s PRO 43 Cb 0.00 -4.66 0.49 0.00 0.04 0.00 0.00 34.50 30.36 2emy s PRO 43 CO 0.00 -3.00 1.14 -1.13 0.04 0.00 0.00 177.00 174.05 2emy n SER 44 N 13.27 2.64 -4.69 6.66 3.41 -1.26 -5.08 113.62 128.57 2emy n SER 44 Ca 0.28 -2.62 -0.42 0.00 -0.26 0.00 0.00 58.87 55.85 2emy n SER 44 Cb 0.50 -0.43 -0.03 0.00 -0.26 0.00 0.00 64.21 63.99 2emy n SER 44 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2emy s SER 45 N -3.66 7.01 0.00 4.04 0.01 -1.26 -5.28 113.70 114.55 2emy s SER 45 Ca 0.35 1.91 0.22 0.00 1.31 0.00 0.00 55.95 59.74 2emy s SER 45 Cb 0.35 -2.56 1.29 0.00 0.21 0.00 0.00 66.02 65.32 2emy s SER 45 CO -0.02 -0.60 1.67 0.61 0.41 0.00 0.00 173.24 175.31