#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 4.94 -0.01 1.61 0.15 -1.26 -5.08 113.70 114.06 2emy s SER 2 Ca 0.00 -1.35 0.00 0.00 0.70 0.00 0.00 55.95 55.31 2emy s SER 2 Cb 0.00 -1.73 0.01 0.00 -1.71 0.00 0.00 66.02 62.59 2emy s SER 2 CO 0.00 -0.29 -0.00 -0.44 1.20 0.00 0.00 173.24 173.71 2emy s SER 3 N 1.31 0.17 0.00 5.45 0.01 -1.26 -5.14 113.70 114.24 2emy s SER 3 Ca -0.04 -0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.21 2emy s SER 3 Cb -0.20 -0.05 0.00 0.00 0.21 0.00 0.00 66.02 65.98 2emy s SER 3 CO -0.01 -0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.23 2emy n GLY 4 N 3.37 2.05 2.96 3.44 0.00 -1.26 -5.17 105.19 110.58 2emy n GLY 4 Ca -0.17 0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 -0.12 0.13 1.61 1.04 -1.26 -5.16 113.70 109.94 2emy s SER 5 Ca 0.00 0.28 -0.17 0.00 0.48 0.00 0.00 55.95 56.54 2emy s SER 5 Cb 0.00 0.22 0.04 0.00 0.10 0.00 0.00 66.02 66.38 2emy s SER 5 CO 0.00 -0.10 0.43 -0.94 0.98 0.00 0.00 173.24 173.61 2emy s SER 6 N 0.69 -0.28 0.00 7.02 1.04 -1.26 -5.10 113.70 115.81 2emy s SER 6 Ca -0.05 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.10 2emy s SER 6 Cb -0.07 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.54 2emy s SER 6 CO -0.03 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 173.92 2emy n GLY 7 N -0.25 -0.70 0.19 7.32 0.00 -1.26 -4.98 105.19 105.51 2emy n GLY 7 Ca -0.16 -0.68 -0.09 0.00 0.00 0.00 0.00 46.02 45.09 2emy n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2emy h THR 8 N 0.00 1.19 0.00 2.61 1.03 -2.02 -3.46 112.91 112.26 2emy h THR 8 Ca 0.00 -0.60 0.00 0.00 -0.01 0.00 0.00 66.41 65.80 2emy h THR 8 Cb 0.00 0.84 0.00 0.00 -1.07 0.00 0.00 68.15 67.92 2emy h THR 8 CO 0.00 0.22 0.00 0.61 -0.01 0.00 0.00 175.52 176.34 2emy n GLY 9 N -0.77 -0.30 0.12 2.99 0.00 -1.26 -5.05 105.19 100.92 2emy n GLY 9 Ca -0.00 -0.21 0.03 0.00 0.00 0.00 0.00 46.02 45.84 2emy n GLY 9 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2emy h GLU 10 N 0.00 0.00 -5.01 1.61 4.11 -1.99 -3.44 114.58 109.85 2emy h GLU 10 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.36 58.78 2emy h GLU 10 Cb 0.00 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 29.03 2emy h GLU 10 CO 0.00 0.32 -0.63 -0.80 0.07 0.00 0.00 179.01 177.97 2emy s ASN 11 N -6.00 5.09 0.00 3.06 0.01 -1.26 -4.97 114.94 110.88 2emy s ASN 11 Ca 0.00 -0.19 0.14 0.00 -0.71 0.00 0.00 52.86 52.11 2emy s ASN 11 Cb 0.08 -1.90 0.62 0.00 0.41 0.00 0.00 41.25 40.46 2emy s ASN 11 CO 0.78 0.00 1.45 -0.81 -1.51 0.00 0.00 177.10 177.01 2emy n PRO 12 N 4.68 0.02 -3.96 -0.60 -0.04 -1.26 -4.48 135.00 129.36 2emy n PRO 12 Ca -0.16 0.25 -0.34 0.00 -0.04 0.00 0.00 63.50 63.20 2emy n PRO 12 Cb 0.52 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.33 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 -2.96 3.20 0.00 0.54 2.02 -1.21 -5.05 117.35 113.89 2emy s TYR 13 Ca 0.07 -1.86 0.05 0.00 -0.37 0.00 0.00 57.07 54.97 2emy s TYR 13 Cb 0.09 -2.06 -0.02 0.00 -0.40 0.00 0.00 41.96 39.58 2emy s TYR 13 CO 0.26 -0.80 -0.16 -1.21 -1.57 0.00 0.00 175.55 172.06 2emy s GLU 14 N 1.25 1.28 -0.14 -0.62 2.02 -1.26 0.36 118.70 121.58 2emy s GLU 14 Ca -0.04 -0.65 -0.29 0.00 0.02 0.00 0.00 54.97 54.01 2emy s GLU 14 Cb -0.19 -1.26 -0.02 0.00 0.10 0.00 0.00 34.13 32.76 2emy s GLU 14 CO -0.03 0.34 1.30 0.00 0.02 0.00 0.00 175.26 176.89 2emy n HIS 16 N 6.56 0.00 -0.08 0.00 1.44 -1.26 -0.64 115.22 121.24 2emy n HIS 16 Ca 0.14 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.71 2emy n HIS 16 Cb 0.45 -0.20 -0.09 0.00 0.12 0.00 0.00 29.99 30.27 2emy n HIS 16 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 2emy h GLU 17 N 0.00 0.00 0.00 -1.40 5.08 -1.98 -3.44 114.58 112.84 2emy h GLU 17 Ca 0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 2emy h GLU 17 Cb 0.17 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 2emy h GLU 17 CO 0.00 0.70 -1.67 0.00 -1.00 0.00 0.00 179.01 177.04 2emy n GLY 19 N 2.48 0.91 3.53 0.00 0.00 0.19 -5.04 105.19 107.27 2emy n GLY 19 Ca -0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.79 0.02 1.61 2.20 -1.25 -4.60 119.74 116.93 2emy s LYS 20 Ca 0.00 0.59 0.01 0.00 -0.36 0.00 0.00 55.97 56.21 2emy s LYS 20 Cb 0.00 -1.59 -0.01 0.00 -1.51 0.00 0.00 37.83 34.72 2emy s LYS 20 CO 0.00 -3.57 -0.05 0.00 -0.36 0.00 0.00 175.35 171.37 2emy s ALA 21 N -2.64 0.33 0.05 3.13 0.00 -1.26 -0.59 121.76 120.78 2emy s ALA 21 Ca 0.68 -0.45 -0.04 0.00 0.00 0.00 0.00 51.96 52.14 2emy s ALA 21 Cb -0.21 0.02 -0.02 0.00 0.00 0.00 0.00 23.12 22.91 2emy s ALA 21 CO 0.62 -0.02 0.07 -0.06 0.00 0.00 0.00 175.76 176.36 2emy s PHE 22 N -0.84 0.30 -0.07 0.00 0.40 0.16 -4.98 117.98 112.94 2emy s PHE 22 Ca -0.07 -0.72 -0.26 0.00 -0.60 0.00 0.00 56.93 55.28 2emy s PHE 22 Cb -0.06 -0.21 -0.24 0.00 0.51 0.00 0.00 43.02 43.02 2emy s PHE 22 CO -0.00 -0.40 0.99 0.77 0.70 0.00 0.00 175.22 177.27 2emy h SER 23 N 3.32 0.12 -2.05 1.36 0.02 -1.95 -3.20 113.55 111.18 2emy h SER 23 Ca -0.33 -0.80 -0.49 0.00 -0.84 0.00 0.00 61.79 59.33 2emy h SER 23 Cb 1.17 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.64 2emy h SER 23 CO 0.57 0.90 -0.47 -0.13 -1.14 0.00 0.00 176.83 176.56 2emy s ARG 24 N -3.03 2.94 0.07 3.45 0.52 -1.26 -4.67 118.95 116.96 2emy s ARG 24 Ca -0.17 -1.10 -0.24 0.00 -0.52 0.00 0.00 55.73 53.71 2emy s ARG 24 Cb -0.00 -2.59 -0.16 0.00 0.52 0.00 0.00 34.95 32.71 2emy s ARG 24 CO 0.72 0.28 1.64 -0.22 0.02 0.00 0.00 175.30 177.73 2emy h LYS 25 N 1.32 -0.02 -0.79 3.54 1.63 -1.97 -2.89 116.57 117.39 2emy h LYS 25 Ca -0.47 0.00 0.08 0.00 -0.85 0.00 0.00 60.65 59.40 2emy h LYS 25 Cb 1.24 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 32.81 2emy h LYS 25 CO 0.59 0.09 0.46 0.10 -3.45 0.00 0.00 179.45 177.25 2emy h TYR 26 N -0.12 0.85 -0.78 1.91 -0.00 -1.99 -0.23 116.97 116.61 2emy h TYR 26 Ca -0.00 0.03 0.22 0.00 -0.00 0.00 0.00 58.73 58.98 2emy h TYR 26 Cb 0.11 -0.26 -0.03 0.00 -0.00 0.00 0.00 36.73 36.55 2emy h TYR 26 CO -0.04 0.39 0.63 1.96 -0.00 0.00 0.00 178.16 181.10 2emy h GLN 27 N 0.81 0.00 0.08 0.10 4.20 -1.92 -0.44 115.11 117.94 2emy h GLN 27 Ca 0.37 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.85 2emy h GLN 27 Cb 0.26 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 2emy h GLN 27 CO -0.21 0.00 -1.16 1.25 -0.67 0.00 0.00 178.83 178.04 2emy h LEU 28 N 0.00 0.26 -0.41 1.46 5.85 -1.04 -3.34 115.31 118.09 2emy h LEU 28 Ca 0.37 -0.81 0.08 0.00 0.84 0.00 0.00 57.88 58.35 2emy h LEU 28 Cb 1.63 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 42.50 2emy h LEU 28 CO -0.00 1.50 -0.07 0.40 -0.34 0.00 0.00 178.44 179.92 2emy h ILE 29 N -0.53 0.62 -0.80 4.05 5.03 -0.57 0.75 117.51 126.06 2emy h ILE 29 Ca -0.26 -0.01 0.20 0.00 -0.12 0.00 0.00 64.86 64.67 2emy h ILE 29 Cb 1.57 0.59 -0.04 0.00 -3.03 0.00 0.00 36.82 35.90 2emy h ILE 29 CO 0.01 0.01 0.55 -1.28 -0.68 0.00 0.00 178.15 176.75 2emy h SER 30 N 0.03 0.18 -0.01 1.72 0.87 -1.41 -1.20 113.55 113.72 2emy h SER 30 Ca 0.20 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.74 2emy h SER 30 Cb 0.30 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 2emy h SER 30 CO -0.40 0.08 -0.12 -0.74 -0.53 0.00 0.00 176.83 175.12 2emy h HIS 31 N 0.18 0.14 -0.76 2.24 -0.00 -1.02 -3.19 115.15 112.74 2emy h HIS 31 Ca 0.39 -0.07 0.22 0.00 -0.00 0.00 0.00 60.37 60.91 2emy h HIS 31 Cb 1.28 -0.02 -0.03 0.00 -0.00 0.00 0.00 27.41 28.64 2emy h HIS 31 CO -0.00 0.82 0.65 1.96 -0.00 0.00 0.00 177.93 181.37 2emy h GLN 32 N -0.58 0.00 -0.92 5.26 4.20 -0.19 0.13 115.11 123.01 2emy h GLN 32 Ca -0.01 0.00 0.16 0.00 0.06 0.00 0.00 58.65 58.86 2emy h GLN 32 Cb 0.85 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.55 2emy h GLN 32 CO 0.02 0.00 0.59 0.00 -0.67 0.00 0.00 178.83 178.77 2emy h ARG 33 N 0.00 0.64 -0.43 1.46 2.47 -1.45 0.10 114.38 117.17 2emy h ARG 33 Ca 0.36 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 59.02 2emy h ARG 33 Cb 1.66 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 29.82 2emy h ARG 33 CO -0.00 0.42 0.18 1.79 0.56 0.00 0.00 179.97 182.92 2emy h THR 34 N 0.66 1.16 -0.22 2.04 1.35 -0.91 -2.45 112.91 114.53 2emy h THR 34 Ca 0.47 -0.48 -0.18 0.00 -0.55 0.00 0.00 66.41 65.67 2emy h THR 34 Cb 0.83 0.64 -0.00 0.00 -1.73 0.00 0.00 68.15 67.89 2emy h THR 34 CO -0.23 0.19 -0.59 0.45 -0.25 0.00 0.00 175.52 175.09 2emy h HIS 35 N 0.60 0.92 -2.03 4.73 3.86 -0.94 -3.44 115.15 118.85 2emy h HIS 35 Ca 0.15 -0.34 -0.62 0.00 -1.16 0.00 0.00 60.37 58.40 2emy h HIS 35 Cb 0.11 -0.17 0.03 0.00 1.06 0.00 0.00 27.41 28.44 2emy h HIS 35 CO 0.01 1.13 1.01 0.00 0.86 0.00 0.00 177.93 180.94 2emy n ALA 36 N -2.55 0.84 0.00 2.45 0.00 -0.91 -3.44 120.51 116.90 2emy n ALA 36 Ca -0.04 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.73 2emy n ALA 36 Cb 0.64 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.65 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 4.15 2.61 3.49 0.00 0.00 -1.26 -5.00 105.19 109.17 2emy n GLY 37 Ca 0.22 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 2emy n GLY 37 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2emy n GLU 38 N 0.00 3.20 -1.23 1.61 1.02 -1.22 -4.97 120.64 119.04 2emy n GLU 38 Ca 0.00 -3.31 -0.41 0.00 -0.02 0.00 0.00 57.16 53.41 2emy n GLU 38 Cb 0.00 -3.41 -0.01 0.00 -0.02 0.00 0.00 31.44 28.00 2emy n GLU 38 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2emy n LYS 39 N 7.75 0.00 -2.14 3.49 5.02 -1.26 -4.79 118.16 126.23 2emy n LYS 39 Ca 0.47 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 56.34 2emy n LYS 39 Cb 0.45 -0.92 -0.03 0.00 -0.02 0.00 0.00 35.03 34.52 2emy n LYS 39 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2emy s PRO 40 N -0.92 4.13 0.19 1.97 0.04 -1.26 -4.95 135.00 134.21 2emy s PRO 40 Ca 0.56 1.95 -0.33 0.00 0.04 0.00 0.00 61.00 63.23 2emy s PRO 40 Cb -0.72 -3.93 -0.15 0.00 0.04 0.00 0.00 34.50 29.75 2emy s PRO 40 CO 0.54 -0.88 1.36 0.43 0.04 0.00 0.00 177.00 178.50 2emy n SER 41 N 7.20 2.29 0.00 6.66 7.64 -1.26 -4.79 113.62 131.35 2emy n SER 41 Ca 0.17 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.17 2emy n SER 41 Cb 0.44 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.30 2emy n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2emy n GLY 42 N 2.39 3.27 3.63 0.23 0.00 -1.26 -5.02 105.19 108.44 2emy n GLY 42 Ca 0.14 -1.54 -0.43 0.00 0.00 0.00 0.00 46.02 44.20 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 -4.99 3.80 -0.11 1.61 0.04 -1.26 -4.85 135.00 129.24 2emy s PRO 43 Ca 0.00 1.66 -0.06 0.00 0.04 0.00 0.00 61.00 62.64 2emy s PRO 43 Cb 0.00 -4.03 -0.05 0.00 0.04 0.00 0.00 34.50 30.46 2emy s PRO 43 CO 0.00 -1.29 -0.15 0.45 0.04 0.00 0.00 177.00 176.05 2emy n SER 44 N 8.43 0.83 -2.50 6.66 2.88 -1.26 -4.82 113.62 123.84 2emy n SER 44 Ca 0.19 0.14 -0.12 0.00 -1.33 0.00 0.00 58.87 57.75 2emy n SER 44 Cb 0.45 -0.34 0.03 0.00 -0.75 0.00 0.00 64.21 63.60 2emy n SER 44 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2emy n SER 45 N -3.53 3.03 0.00 -3.46 7.64 -1.26 -5.31 113.62 110.72 2emy n SER 45 Ca -0.22 -2.88 0.00 0.00 1.01 0.00 0.00 58.87 56.78 2emy n SER 45 Cb 0.64 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 2emy n SER 45 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64