#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2emi s SER 2 N 0.00 3.10 -0.19 1.61 1.04 -1.26 -5.15 113.70 112.86 2emi s SER 2 Ca 0.00 -0.89 -0.31 0.00 0.48 0.00 0.00 55.95 55.24 2emi s SER 2 Cb 0.00 -0.21 0.14 0.00 0.10 0.00 0.00 66.02 66.05 2emi s SER 2 CO 0.00 0.04 1.13 -0.94 0.98 0.00 0.00 173.24 174.45 2emi s SER 3 N -2.77 -0.22 0.00 7.02 1.04 -1.26 -5.19 113.70 112.32 2emi s SER 3 Ca 0.20 0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.80 2emi s SER 3 Cb -0.06 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.26 2emi s SER 3 CO 0.09 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.66 2emi n GLY 4 N 0.38 5.03 3.66 7.32 0.00 -1.26 -5.19 105.19 115.13 2emi n GLY 4 Ca -0.05 -1.17 -0.10 0.00 0.00 0.00 0.00 46.02 44.70 2emi n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2emi s SER 5 N 1.14 0.17 -0.11 1.61 1.04 -1.26 -5.18 113.70 111.11 2emi s SER 5 Ca 0.00 -1.08 -0.29 0.00 0.48 0.00 0.00 55.95 55.05 2emi s SER 5 Cb 0.00 0.70 0.08 0.00 0.10 0.00 0.00 66.02 66.89 2emi s SER 5 CO 0.00 -1.36 0.72 -0.94 0.98 0.00 0.00 173.24 172.65 2emi s SER 6 N -3.07 -0.65 0.00 7.02 1.04 -1.26 -5.17 113.70 111.61 2emi s SER 6 Ca 0.21 0.85 0.00 0.00 0.48 0.00 0.00 55.95 57.49 2emi s SER 6 Cb -0.03 0.73 0.00 0.00 0.10 0.00 0.00 66.02 66.82 2emi s SER 6 CO 0.12 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.46 2emi n GLY 7 N 1.31 -1.14 0.01 7.32 0.00 -1.26 -4.72 105.19 106.71 2emi n GLY 7 Ca -0.17 -1.22 0.01 0.00 0.00 0.00 0.00 46.02 44.64 2emi n GLY 7 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2emi n THR 8 N 0.00 1.84 -1.29 2.61 5.66 -1.26 -4.87 114.28 116.98 2emi n THR 8 Ca 0.00 0.52 0.00 0.00 -3.05 0.00 0.00 64.05 61.52 2emi n THR 8 Cb 0.00 -1.52 0.00 0.00 -1.55 0.00 0.00 70.33 67.26 2emi n THR 8 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2emi n GLY 9 N -1.46 -2.48 0.31 1.09 0.00 -1.26 -4.88 105.19 96.50 2emi n GLY 9 Ca -0.00 -0.41 0.14 0.00 0.00 0.00 0.00 46.02 45.75 2emi n GLY 9 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2emi h GLU 10 N 0.00 0.19 -6.90 1.61 3.07 -2.00 -3.41 114.58 107.14 2emi h GLU 10 Ca 0.00 -0.01 -0.55 0.00 -0.50 0.00 0.00 59.36 58.30 2emi h GLU 10 Cb 0.00 -0.04 0.18 0.00 -0.84 0.00 0.00 28.75 28.05 2emi h GLU 10 CO 0.00 0.12 -0.04 2.89 -1.40 0.00 0.00 179.01 180.59 2emi n ARG 11 N -5.24 0.36 -2.10 2.33 1.85 -1.26 -5.00 116.66 107.61 2emi n ARG 11 Ca 0.23 0.18 -0.28 0.00 -1.00 0.00 0.00 57.85 56.98 2emi n ARG 11 Cb 0.73 -2.13 0.13 0.00 -1.05 0.00 0.00 32.46 30.14 2emi n ARG 11 CO 0.00 0.00 0.00 -3.38 -0.01 0.00 0.00 177.63 174.24 2emi s HIS 12 N -1.92 2.07 -0.39 2.89 0.00 -1.26 -5.02 115.29 111.66 2emi s HIS 12 Ca 0.70 0.31 -0.23 0.00 -3.00 0.00 0.00 55.06 52.84 2emi s HIS 12 Cb -0.33 -3.64 0.01 0.00 -4.00 0.00 0.00 32.58 24.62 2emi s HIS 12 CO 0.53 -2.10 0.77 0.71 -1.00 0.00 0.00 174.74 173.65 2emi s TYR 13 N -3.58 3.08 0.04 0.38 1.51 -1.05 -4.92 117.35 112.81 2emi s TYR 13 Ca 0.68 0.42 0.04 0.00 -1.01 0.00 0.00 57.07 57.19 2emi s TYR 13 Cb -0.07 -3.45 -0.04 0.00 -0.11 0.00 0.00 41.96 38.29 2emi s TYR 13 CO 0.49 -0.80 -0.03 -1.21 -1.11 0.00 0.00 175.55 172.89 2emi s GLU 14 N 3.12 2.57 -0.15 -0.62 2.02 -1.26 0.20 118.70 124.57 2emi s GLU 14 Ca 0.30 -0.75 -0.29 0.00 0.02 0.00 0.00 54.97 54.24 2emi s GLU 14 Cb -0.13 -2.54 -0.02 0.00 0.10 0.00 0.00 34.13 31.54 2emi s GLU 14 CO 0.18 0.58 1.37 0.00 0.02 0.00 0.00 175.26 177.42 2emi n SER 16 N 6.90 5.24 0.09 0.00 2.88 -1.26 -2.90 113.62 124.57 2emi n SER 16 Ca 0.15 -2.55 0.00 0.00 -1.33 0.00 0.00 58.87 55.14 2emi n SER 16 Cb 0.45 -1.01 0.00 0.00 -0.75 0.00 0.00 64.21 62.90 2emi n SER 16 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2emi n GLU 17 N 0.98 0.00 -0.13 -1.46 -0.58 -1.26 -4.97 120.64 113.22 2emi n GLU 17 Ca 0.09 0.00 -0.27 0.00 -0.42 0.00 0.00 57.16 56.56 2emi n GLU 17 Cb 0.55 -0.22 -0.10 0.00 -0.57 0.00 0.00 31.44 31.10 2emi n GLU 17 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2emi n GLY 19 N 1.32 0.79 3.79 0.00 0.00 -1.14 -5.10 105.19 104.85 2emi n GLY 19 Ca -0.48 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.32 2emi n GLY 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2emi s LYS 20 N 0.00 2.53 0.02 1.61 2.20 -1.25 -4.92 119.74 119.93 2emi s LYS 20 Ca 0.00 -1.44 0.08 0.00 -0.36 0.00 0.00 55.97 54.25 2emi s LYS 20 Cb 0.00 -2.31 -0.02 0.00 -1.51 0.00 0.00 37.83 33.98 2emi s LYS 20 CO 0.00 0.08 -0.23 0.00 -0.36 0.00 0.00 175.35 174.84 2emi s ALA 21 N -2.38 1.98 -0.02 3.13 0.00 -1.26 -0.20 121.76 123.02 2emi s ALA 21 Ca 0.40 -1.11 0.02 0.00 0.00 0.00 0.00 51.96 51.27 2emi s ALA 21 Cb -0.04 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.64 2emi s ALA 21 CO 0.25 0.47 -0.08 -0.06 0.00 0.00 0.00 175.76 176.34 2emi s PHE 22 N -0.71 0.77 0.09 0.00 0.40 0.13 -4.97 117.98 113.70 2emi s PHE 22 Ca 0.09 -0.17 -0.15 0.00 -0.60 0.00 0.00 56.93 56.10 2emi s PHE 22 Cb -0.09 -0.54 -0.10 0.00 0.51 0.00 0.00 43.02 42.79 2emi s PHE 22 CO 0.01 -0.06 1.38 0.97 0.70 0.00 0.00 175.22 178.22 2emi h ILE 23 N 5.26 1.31 -3.13 0.64 6.09 -1.99 -2.78 117.51 122.92 2emi h ILE 23 Ca -0.32 -1.56 -0.67 0.00 -1.37 0.00 0.00 64.86 60.94 2emi h ILE 23 Cb 1.17 1.70 -0.13 0.00 0.47 0.00 0.00 36.82 40.04 2emi h ILE 23 CO 0.49 0.49 -0.58 -1.10 -3.07 0.00 0.00 178.15 174.39 2emi s GLN 24 N -4.20 3.29 0.17 2.19 -0.21 -1.26 -4.74 119.66 114.90 2emi s GLN 24 Ca -0.12 -0.33 -0.14 0.00 0.02 0.00 0.00 55.36 54.79 2emi s GLN 24 Cb 0.08 -2.97 0.07 0.00 1.00 0.00 0.00 33.01 31.19 2emi s GLN 24 CO 0.84 0.64 1.82 -0.22 -2.12 0.00 0.00 175.29 176.25 2emi h LYS 25 N 5.41 0.61 -0.58 2.91 1.63 -1.95 -2.56 116.57 122.03 2emi h LYS 25 Ca -0.49 -0.04 0.07 0.00 -0.85 0.00 0.00 60.65 59.35 2emi h LYS 25 Cb 1.20 -0.14 -0.06 0.00 -0.60 0.00 0.00 32.23 32.63 2emi h LYS 25 CO 0.58 0.40 0.26 0.77 -3.45 0.00 0.00 179.45 178.01 2emi h SER 26 N 0.62 0.32 -0.03 4.20 0.02 -1.99 0.76 113.55 117.47 2emi h SER 26 Ca 0.19 0.05 0.01 0.00 -0.84 0.00 0.00 61.79 61.20 2emi h SER 26 Cb -0.03 0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.52 2emi h SER 26 CO -0.06 0.21 0.03 0.74 -1.14 0.00 0.00 176.83 176.61 2emi h THR 27 N 0.48 0.48 0.00 -2.27 2.02 -1.88 -1.99 112.91 109.74 2emi h THR 27 Ca 0.28 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.42 2emi h THR 27 Cb 0.27 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 2emi h THR 27 CO -0.24 0.00 -0.29 0.25 0.37 0.00 0.00 175.52 175.61 2emi h LEU 28 N 0.00 0.00 -1.02 2.58 5.85 -0.70 -3.13 115.31 118.89 2emi h LEU 28 Ca 0.01 -0.45 0.22 0.00 0.84 0.00 0.00 57.88 58.50 2emi h LEU 28 Cb 0.08 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 41.00 2emi h LEU 28 CO -0.00 0.89 0.61 -1.28 -0.34 0.00 0.00 178.44 178.32 2emi h SER 29 N -1.00 0.72 0.47 1.25 0.87 -0.89 0.54 113.55 115.50 2emi h SER 29 Ca -0.06 0.12 -0.10 0.00 -1.23 0.00 0.00 61.79 60.51 2emi h SER 29 Cb 0.67 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.61 2emi h SER 29 CO -0.04 0.18 -0.49 0.00 -0.53 0.00 0.00 176.83 175.96 2emi h MET 30 N 0.66 0.02 0.14 2.24 -0.00 -1.51 -3.26 114.93 113.23 2emi h MET 30 Ca 0.61 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.70 60.30 2emi h MET 30 Cb 1.08 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.69 2emi h MET 30 CO -0.43 0.50 -0.07 1.25 -0.00 0.00 0.00 176.91 178.17 2emi h HIS 31 N 0.02 -0.18 -0.83 -0.10 -0.00 0.02 -3.19 115.15 110.89 2emi h HIS 31 Ca -0.00 -0.00 0.24 0.00 -0.00 0.00 0.00 60.37 60.60 2emi h HIS 31 Cb 0.87 0.06 -0.03 0.00 -0.00 0.00 0.00 27.41 28.30 2emi h HIS 31 CO 0.00 0.26 1.12 1.96 -0.00 0.00 0.00 177.93 181.27 2emi h GLN 32 N -0.90 0.00 -0.71 5.26 4.20 -0.96 0.25 115.11 122.25 2emi h GLN 32 Ca -0.02 0.00 0.15 0.00 0.06 0.00 0.00 58.65 58.84 2emi h GLN 32 Cb 0.51 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 28.19 2emi h GLN 32 CO 0.03 0.00 0.17 0.07 -0.67 0.00 0.00 178.83 178.43 2emi h ARG 33 N 0.00 0.26 -0.15 1.46 0.11 -1.61 0.47 114.38 114.92 2emi h ARG 33 Ca 0.39 -0.02 0.04 0.00 0.10 0.00 0.00 59.98 60.50 2emi h ARG 33 Cb 2.63 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 33.65 2emi h ARG 33 CO -0.00 0.17 0.48 -0.84 0.10 0.00 0.00 179.97 179.88 2emi h ILE 34 N 0.27 0.09 0.13 0.08 3.07 -0.71 0.21 117.51 120.65 2emi h ILE 34 Ca 0.40 0.00 -0.35 0.00 1.55 0.00 0.00 64.86 66.45 2emi h ILE 34 Cb 0.66 0.55 -0.01 0.00 -0.27 0.00 0.00 36.82 37.75 2emi h ILE 34 CO -0.49 0.00 -1.89 0.45 -1.05 0.00 0.00 178.15 175.17 2emi h HIS 35 N 0.00 0.48 -1.00 0.16 3.86 -0.25 -3.36 115.15 115.04 2emi h HIS 35 Ca 0.07 -0.35 0.23 0.00 -1.16 0.00 0.00 60.37 59.16 2emi h HIS 35 Cb 1.03 -0.02 -0.12 0.00 1.06 0.00 0.00 27.41 29.36 2emi h HIS 35 CO 0.00 1.66 0.59 0.00 0.86 0.00 0.00 177.93 181.04 2emi h ARG 36 N 0.07 0.60 -4.64 2.45 3.08 -0.20 -3.35 114.38 112.40 2emi h ARG 36 Ca -0.38 -0.04 -0.70 0.00 0.07 0.00 0.00 59.98 58.94 2emi h ARG 36 Cb 2.05 -0.13 -0.23 0.00 0.08 0.00 0.00 29.97 31.73 2emi h ARG 36 CO 0.11 0.39 -0.51 0.20 -1.07 0.00 0.00 179.97 179.10 2emi s GLY 37 N -3.88 1.93 0.03 0.04 0.00 -1.14 -4.91 107.32 99.38 2emi s GLY 37 Ca -0.11 -1.59 -0.01 0.00 0.00 0.00 0.00 44.72 43.01 2emi s GLY 37 CO 0.80 0.81 -0.01 1.18 0.00 0.00 0.00 173.10 175.87 2emi n GLU 38 N 5.03 0.02 -2.16 2.90 1.02 -1.26 -4.92 120.64 121.28 2emi n GLU 38 Ca -0.12 0.01 -0.41 0.00 -0.02 0.00 0.00 57.16 56.62 2emi n GLU 38 Cb 0.47 -0.28 -0.02 0.00 -0.02 0.00 0.00 31.44 31.59 2emi n GLU 38 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2emi s LYS 39 N -1.46 4.39 -0.74 3.49 2.20 -1.26 -4.91 119.74 121.44 2emi s LYS 39 Ca -0.01 2.17 -0.26 0.00 -0.36 0.00 0.00 55.97 57.51 2emi s LYS 39 Cb 0.00 -3.09 -0.03 0.00 -1.51 0.00 0.00 37.83 33.20 2emi s LYS 39 CO 0.02 -0.15 1.90 -1.25 -0.36 0.00 0.00 175.35 175.51 2emi s PRO 40 N -1.67 2.60 0.01 4.03 0.04 -1.26 -4.93 135.00 133.81 2emi s PRO 40 Ca 0.49 0.21 -0.36 0.00 0.04 0.00 0.00 61.00 61.37 2emi s PRO 40 Cb -0.39 -4.69 -0.15 0.00 0.04 0.00 0.00 34.50 29.31 2emi s PRO 40 CO 0.51 -3.02 1.54 -1.13 0.04 0.00 0.00 177.00 174.94 2emi n SER 41 N 13.29 2.33 0.00 6.66 3.41 -1.26 -4.62 113.62 133.43 2emi n SER 41 Ca 0.29 1.09 0.00 0.00 -0.26 0.00 0.00 58.87 59.99 2emi n SER 41 Cb 0.50 -1.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.19 2emi n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2emi n GLY 42 N 3.28 -1.48 3.67 5.00 0.00 -1.26 -4.80 105.19 109.60 2emi n GLY 42 Ca 0.20 -1.44 -0.28 0.00 0.00 0.00 0.00 46.02 44.50 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 -3.84 0.30 -1.34 1.61 0.04 -1.26 -3.65 135.00 126.85 2emi s PRO 43 Ca 0.00 0.48 -0.15 0.00 0.04 0.00 0.00 61.00 61.37 2emi s PRO 43 Cb 0.00 -1.72 0.15 0.00 0.04 0.00 0.00 34.50 32.97 2emi s PRO 43 CO 0.00 -2.81 0.39 -1.13 0.04 0.00 0.00 177.00 173.48 2emi n SER 44 N -4.23 -1.10 -4.93 6.66 3.41 -1.26 -4.87 113.62 107.31 2emi n SER 44 Ca 0.05 -0.91 -0.25 0.00 -0.26 0.00 0.00 58.87 57.50 2emi n SER 44 Cb 0.57 -1.16 0.01 0.00 -0.26 0.00 0.00 64.21 63.37 2emi n SER 44 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2emi s SER 45 N -2.79 4.70 0.00 4.04 0.15 -1.24 -5.20 113.70 113.36 2emi s SER 45 Ca 0.54 -1.20 0.24 0.00 0.70 0.00 0.00 55.95 56.23 2emi s SER 45 Cb -0.32 0.44 1.44 0.00 -1.71 0.00 0.00 66.02 65.88 2emi s SER 45 CO 0.74 -1.17 1.80 0.61 1.20 0.00 0.00 173.24 176.42