#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2emi n SER 2 N 0.00 -2.01 -0.05 1.61 2.88 -1.26 -4.99 113.62 109.80 2emi n SER 2 Ca 0.00 0.02 -0.10 0.00 -1.33 0.00 0.00 58.87 57.46 2emi n SER 2 Cb 0.00 -1.11 -0.04 0.00 -0.75 0.00 0.00 64.21 62.31 2emi n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2emi n SER 3 N -2.36 1.69 0.00 -3.46 7.64 -1.26 -5.14 113.62 110.74 2emi n SER 3 Ca 0.03 0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.97 2emi n SER 3 Cb 0.58 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 2emi n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2emi n GLY 4 N 2.60 0.54 3.59 0.23 0.00 -1.26 -5.10 105.19 105.79 2emi n GLY 4 Ca -0.20 -0.92 -0.39 0.00 0.00 0.00 0.00 46.02 44.52 2emi n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2emi n SER 5 N 0.00 0.55 -3.74 1.61 2.88 -1.26 -4.99 113.62 108.67 2emi n SER 5 Ca 0.00 0.85 -0.29 0.00 -1.33 0.00 0.00 58.87 58.10 2emi n SER 5 Cb 0.00 -1.34 -0.15 0.00 -0.75 0.00 0.00 64.21 61.97 2emi n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2emi s SER 6 N -1.10 3.69 0.00 -3.46 0.15 -1.26 -5.09 113.70 106.63 2emi s SER 6 Ca 0.71 -1.36 0.00 0.00 0.70 0.00 0.00 55.95 56.00 2emi s SER 6 Cb -0.46 -0.79 0.00 0.00 -1.71 0.00 0.00 66.02 63.07 2emi s SER 6 CO 0.51 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 175.19 2emi n GLY 7 N 4.91 3.76 0.10 9.45 0.00 -1.26 -5.05 105.19 117.10 2emi n GLY 7 Ca -0.05 -0.89 -0.17 0.00 0.00 0.00 0.00 46.02 44.91 2emi n GLY 7 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2emi n THR 8 N -1.31 1.50 0.00 2.61 -2.24 -1.26 -5.06 114.28 108.52 2emi n THR 8 Ca 0.00 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 2emi n THR 8 Cb 0.00 -2.14 0.00 0.00 -2.10 0.00 0.00 70.33 66.09 2emi n THR 8 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2emi n GLY 9 N 1.47 0.48 3.62 3.38 0.00 -1.26 -5.11 105.19 107.77 2emi n GLY 9 Ca -0.26 -0.15 -0.45 0.00 0.00 0.00 0.00 46.02 45.15 2emi n GLY 9 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2emi n GLU 10 N 0.00 1.58 -0.12 1.61 0.28 -1.26 -4.93 120.64 117.80 2emi n GLU 10 Ca 0.00 0.56 -0.24 0.00 -0.16 0.00 0.00 57.16 57.32 2emi n GLU 10 Cb 0.00 -2.04 -0.09 0.00 1.43 0.00 0.00 31.44 30.74 2emi n GLU 10 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2emi n ARG 11 N 1.17 0.51 -2.54 3.44 1.74 -1.26 -5.00 116.66 114.71 2emi n ARG 11 Ca 0.10 0.20 -0.30 0.00 -0.77 0.00 0.00 57.85 57.09 2emi n ARG 11 Cb 0.31 -1.36 -0.01 0.00 -1.02 0.00 0.00 32.46 30.38 2emi n ARG 11 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 2emi s HIS 12 N -2.43 3.53 -0.60 -1.55 -3.43 -1.26 -5.03 115.29 104.51 2emi s HIS 12 Ca -0.32 1.05 -0.17 0.00 -0.80 0.00 0.00 55.06 54.82 2emi s HIS 12 Cb 0.12 -2.48 0.12 0.00 -1.43 0.00 0.00 32.58 28.91 2emi s HIS 12 CO 0.43 -0.30 0.65 0.71 -2.00 0.00 0.00 174.74 174.23 2emi s TYR 13 N -2.68 3.16 -0.07 0.38 2.02 -1.14 -4.95 117.35 114.06 2emi s TYR 13 Ca 0.51 -1.18 0.00 0.00 -0.37 0.00 0.00 57.07 56.03 2emi s TYR 13 Cb -0.10 -3.93 -0.03 0.00 -0.40 0.00 0.00 41.96 37.50 2emi s TYR 13 CO 0.40 -1.18 -0.05 -1.83 -1.57 0.00 0.00 175.55 171.32 2emi s GLU 14 N 2.08 2.83 0.89 -0.62 -1.05 -1.26 -2.04 118.70 119.52 2emi s GLU 14 Ca 0.10 -0.52 -0.12 0.00 -0.15 0.00 0.00 54.97 54.27 2emi s GLU 14 Cb -0.24 -2.64 0.07 0.00 -0.44 0.00 0.00 34.13 30.87 2emi s GLU 14 CO 0.03 0.65 0.82 0.00 0.95 0.00 0.00 175.26 177.72 2emi n SER 16 N -2.53 3.22 0.19 0.00 7.64 -1.26 -3.91 113.62 116.97 2emi n SER 16 Ca 0.10 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.90 2emi n SER 16 Cb 0.52 1.19 -0.04 0.00 -1.01 0.00 0.00 64.21 64.87 2emi n SER 16 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2emi h GLU 17 N 0.00 -0.52 0.04 1.43 3.07 -1.97 -3.40 114.58 113.23 2emi h GLU 17 Ca -0.05 0.04 -0.25 0.00 -0.50 0.00 0.00 59.36 58.60 2emi h GLU 17 Cb 0.63 0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 28.63 2emi h GLU 17 CO 0.00 -0.35 -1.36 0.00 -1.40 0.00 0.00 179.01 175.91 2emi n GLY 19 N 1.58 1.32 3.75 0.00 0.00 -1.25 -5.10 105.19 105.48 2emi n GLY 19 Ca -0.30 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 2emi n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2emi s LYS 20 N 0.00 2.40 0.01 1.61 1.02 -1.26 -4.73 119.74 118.80 2emi s LYS 20 Ca 0.00 1.43 0.07 0.00 0.02 0.00 0.00 55.97 57.48 2emi s LYS 20 Cb 0.00 -1.90 -0.02 0.00 -0.52 0.00 0.00 37.83 35.39 2emi s LYS 20 CO 0.00 -1.57 -0.20 0.00 -0.92 0.00 0.00 175.35 172.66 2emi s ALA 21 N -2.42 1.70 0.20 5.17 0.00 -1.26 0.12 121.76 125.27 2emi s ALA 21 Ca 0.67 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.68 2emi s ALA 21 Cb -0.22 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.47 2emi s ALA 21 CO 0.47 0.40 0.09 -0.06 0.00 0.00 0.00 175.76 176.66 2emi s PHE 22 N -0.62 1.24 -0.17 0.00 0.40 -0.87 -4.95 117.98 113.01 2emi s PHE 22 Ca 0.08 -1.24 -0.12 0.00 -0.60 0.00 0.00 56.93 55.04 2emi s PHE 22 Cb -0.08 -0.67 -0.22 0.00 0.51 0.00 0.00 43.02 42.55 2emi s PHE 22 CO 0.00 -0.47 0.22 1.51 0.70 0.00 0.00 175.22 177.19 2emi n ILE 23 N -0.30 1.66 -3.79 0.64 3.06 -1.26 -2.86 119.36 116.51 2emi n ILE 23 Ca -0.01 -0.42 -0.26 0.00 -2.50 0.00 0.00 62.75 59.56 2emi n ILE 23 Cb 0.65 -1.82 -0.03 0.00 0.54 0.00 0.00 39.64 38.98 2emi n ILE 23 CO 0.00 0.00 0.00 -1.10 -2.50 0.00 0.00 176.55 172.95 2emi s GLN 24 N -2.49 3.48 -0.07 9.51 -0.21 -1.26 -4.42 119.66 124.20 2emi s GLN 24 Ca -0.27 -0.49 -0.18 0.00 0.02 0.00 0.00 55.36 54.45 2emi s GLN 24 Cb 0.07 -2.87 -0.14 0.00 1.00 0.00 0.00 33.01 31.07 2emi s GLN 24 CO 0.68 0.42 0.68 -0.22 -2.12 0.00 0.00 175.29 174.73 2emi h LYS 25 N 1.81 -0.16 -0.74 2.91 3.64 -1.92 -3.24 116.57 118.87 2emi h LYS 25 Ca -0.49 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.04 2emi h LYS 25 Cb 1.20 0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 32.97 2emi h LYS 25 CO 0.67 0.27 0.31 0.77 -2.27 0.00 0.00 179.45 179.19 2emi h SER 26 N -0.93 0.30 -0.87 4.20 0.02 -1.99 -0.42 113.55 113.86 2emi h SER 26 Ca -0.02 0.10 0.16 0.00 -0.84 0.00 0.00 61.79 61.19 2emi h SER 26 Cb 0.50 0.07 -0.10 0.00 0.14 0.00 0.00 62.40 63.01 2emi h SER 26 CO 0.03 0.13 0.46 0.74 -1.14 0.00 0.00 176.83 177.04 2emi h THR 27 N 0.47 0.70 -0.35 -2.27 2.02 -1.99 -0.95 112.91 110.53 2emi h THR 27 Ca 0.40 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 67.34 2emi h THR 27 Cb 0.58 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 2emi h THR 27 CO -0.38 0.11 0.10 0.25 0.37 0.00 0.00 175.52 175.98 2emi h LEU 28 N 0.62 0.51 -0.57 2.58 5.85 -1.10 -3.00 115.31 120.20 2emi h LEU 28 Ca 0.49 -0.21 0.11 0.00 0.84 0.00 0.00 57.88 59.10 2emi h LEU 28 Cb 0.73 -0.14 -0.08 0.00 0.37 0.00 0.00 40.66 41.54 2emi h LEU 28 CO -0.38 0.59 0.10 0.28 -0.34 0.00 0.00 178.44 178.69 2emi h SER 29 N 0.41 -0.04 -0.18 1.25 0.02 -0.81 0.38 113.55 114.59 2emi h SER 29 Ca 0.11 0.11 0.05 0.00 -0.84 0.00 0.00 61.79 61.23 2emi h SER 29 Cb 0.26 0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 2emi h SER 29 CO -0.00 -0.00 0.25 0.24 -1.14 0.00 0.00 176.83 176.18 2emi h MET 30 N 0.23 0.00 0.00 3.45 2.86 -1.28 -2.51 114.93 117.68 2emi h MET 30 Ca 0.30 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.71 2emi h MET 30 Cb 0.43 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.06 2emi h MET 30 CO -0.40 0.00 -1.30 1.58 1.06 0.00 0.00 176.91 177.85 2emi n HIS 31 N -3.58 0.91 0.02 -0.22 -0.00 0.10 -4.10 115.22 108.35 2emi n HIS 31 Ca 0.02 0.39 0.18 0.00 -0.00 0.00 0.00 57.72 58.31 2emi n HIS 31 Cb 0.37 -1.05 0.37 0.00 -0.00 0.00 0.00 29.99 29.68 2emi n HIS 31 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.34 178.30 2emi h GLN 32 N -1.00 0.00 -0.76 1.57 4.20 -0.18 0.25 115.11 119.19 2emi h GLN 32 Ca -0.34 0.00 0.15 0.00 0.06 0.00 0.00 58.65 58.51 2emi h GLN 32 Cb 1.25 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.93 2emi h GLN 32 CO -0.21 0.00 0.30 0.07 -0.67 0.00 0.00 178.83 178.32 2emi h ARG 33 N 0.00 0.43 -0.26 1.46 0.11 -1.66 0.34 114.38 114.80 2emi h ARG 33 Ca 0.28 -0.03 0.07 0.00 0.10 0.00 0.00 59.98 60.41 2emi h ARG 33 Cb 2.29 -0.10 -0.01 0.00 1.11 0.00 0.00 29.97 33.26 2emi h ARG 33 CO -0.00 0.28 0.43 -0.84 0.10 0.00 0.00 179.97 179.94 2emi h ILE 34 N 0.44 0.22 0.05 0.08 3.07 -0.77 0.35 117.51 120.95 2emi h ILE 34 Ca 0.42 0.00 -0.30 0.00 1.55 0.00 0.00 64.86 66.53 2emi h ILE 34 Cb 0.65 0.63 -0.03 0.00 -0.27 0.00 0.00 36.82 37.79 2emi h ILE 34 CO -0.41 0.00 -1.64 0.45 -1.05 0.00 0.00 178.15 175.50 2emi h HIS 35 N 0.00 0.20 -0.74 0.16 3.86 -0.50 -3.36 115.15 114.77 2emi h HIS 35 Ca 0.12 -0.15 -0.50 0.00 -1.16 0.00 0.00 60.37 58.68 2emi h HIS 35 Cb 0.98 -0.01 -0.31 0.00 1.06 0.00 0.00 27.41 29.13 2emi h HIS 35 CO 0.00 1.24 -0.06 2.89 0.86 0.00 0.00 177.93 182.86 2emi n ARG 36 N -3.26 2.85 -2.71 2.45 -4.01 0.88 -4.86 116.66 108.00 2emi n ARG 36 Ca -0.18 -3.62 -0.43 0.00 -1.04 0.00 0.00 57.85 52.59 2emi n ARG 36 Cb 1.04 -2.17 0.01 0.00 -3.04 0.00 0.00 32.46 28.30 2emi n ARG 36 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2emi n GLY 37 N -0.89 5.15 3.60 2.89 0.00 0.76 -4.95 105.19 111.76 2emi n GLY 37 Ca 0.48 -2.46 -0.29 0.00 0.00 0.00 0.00 46.02 43.75 2emi n GLY 37 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2emi s GLU 38 N -1.92 0.11 0.19 1.61 2.02 -1.26 -5.01 118.70 114.44 2emi s GLU 38 Ca 0.35 0.89 -0.13 0.00 0.02 0.00 0.00 54.97 56.10 2emi s GLU 38 Cb 0.08 -1.67 -0.07 0.00 0.10 0.00 0.00 34.13 32.57 2emi s GLU 38 CO 0.05 -3.04 0.56 0.15 0.02 0.00 0.00 175.26 173.00 2emi s LYS 39 N -4.69 3.92 0.94 1.61 1.02 -1.26 -5.08 119.74 116.20 2emi s LYS 39 Ca 0.66 0.43 -0.12 0.00 0.02 0.00 0.00 55.97 56.97 2emi s LYS 39 Cb -0.22 -2.80 0.15 0.00 -0.52 0.00 0.00 37.83 34.44 2emi s LYS 39 CO 0.61 0.40 1.09 -1.25 -0.92 0.00 0.00 175.35 175.28 2emi s PRO 40 N -2.32 0.93 0.20 -1.68 0.04 -1.26 -4.93 135.00 125.98 2emi s PRO 40 Ca 0.42 0.70 -0.18 0.00 0.04 0.00 0.00 61.00 61.99 2emi s PRO 40 Cb -0.13 -1.78 0.19 0.00 0.04 0.00 0.00 34.50 32.81 2emi s PRO 40 CO 0.20 -2.43 1.59 0.77 0.04 0.00 0.00 177.00 177.16 2emi h SER 41 N -1.68 -1.06 -2.87 6.66 0.02 -2.07 -3.41 113.55 109.14 2emi h SER 41 Ca -0.51 0.24 -0.59 0.00 -0.84 0.00 0.00 61.79 60.08 2emi h SER 41 Cb 1.30 0.56 0.10 0.00 0.14 0.00 0.00 62.40 64.51 2emi h SER 41 CO 0.56 -0.29 0.38 0.61 -1.14 0.00 0.00 176.83 176.95 2emi n GLY 42 N -1.45 0.30 3.74 -3.77 0.00 -1.26 -4.91 105.19 97.84 2emi n GLY 42 Ca 0.06 0.36 -0.41 0.00 0.00 0.00 0.00 46.02 46.03 2emi n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2emi s PRO 43 N -1.47 4.40 0.22 1.61 0.04 -1.26 -5.00 135.00 133.54 2emi s PRO 43 Ca 0.59 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 63.38 2emi s PRO 43 Cb -0.64 -3.19 -0.08 0.00 0.04 0.00 0.00 34.50 30.63 2emi s PRO 43 CO 0.59 -0.22 0.99 0.45 0.04 0.00 0.00 177.00 178.85 2emi s SER 44 N 0.21 7.52 -0.32 6.66 0.15 -1.26 -4.97 113.70 121.69 2emi s SER 44 Ca 0.55 2.00 0.08 0.00 0.70 0.00 0.00 55.95 59.28 2emi s SER 44 Cb -0.36 -2.61 0.46 0.00 -1.71 0.00 0.00 66.02 61.79 2emi s SER 44 CO 0.39 0.04 1.16 -1.54 1.20 0.00 0.00 173.24 174.49 2emi n SER 45 N 1.71 4.53 0.00 5.45 3.41 -1.26 -5.25 113.62 122.22 2emi n SER 45 Ca -0.01 -3.58 0.00 0.00 -0.26 0.00 0.00 58.87 55.02 2emi n SER 45 Cb 0.47 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 2emi n SER 45 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49